data_52012 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52012 _Entry.Title ; Chemical shifts of Methanosarcina acetivorans mechanosensitive channel of large conductance(Ma-MscL) in native cellular membranes by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-03 _Entry.Accession_date 2023-07-03 _Entry.Last_release_date 2023-07-03 _Entry.Original_release_date 2023-07-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Zhang . . . . 52012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 52012 '15N chemical shifts' 73 52012 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-01-04 2023-07-03 update BMRB 'update entry citation' 52012 1 . . 2023-07-05 2023-07-03 original author 'original release' 52012 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52012 _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. . . . 52012 1 2 Yuefang Gan Y. . . . 52012 1 3 Weijing Zhao W. . . . 52012 1 4 Xuning Zhang X. . . . 52012 1 5 Yongxiang Zhao Y. . . . 52012 1 6 Huayong Xie H. . . . 52012 1 7 Jun Yang J. . . . 52012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52012 _Assembly.ID 1 _Assembly.Name 'MaMscL, homopentamer' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _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 . _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 'MaMscL, subunit 1' 1 $entity_1 . . yes native no no . . . 52012 1 2 'MaMscL, subunit 2' 1 $entity_1 . . yes native no no . . . 52012 1 3 'MaMscL, subunit 3' 1 $entity_1 . . yes native no no . . . 52012 1 4 'MaMscL, subunit 4' 1 $entity_1 . . yes native no no . . . 52012 1 5 'MaMscL, subunit 5' 1 $entity_1 . . yes native no no . . . 52012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52012 _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 ; MGLFSEFKEFLYEYKVIPLA IAFIMGIASTALIKSFVDNI IMPIITPFVPGGGWETATVE LGPIVISWGAFLGELVNFII IAFAVFIIAKKVLQEEKVEK K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _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 . MET . 52012 1 2 . GLY . 52012 1 3 . LEU . 52012 1 4 . PHE . 52012 1 5 . SER . 52012 1 6 . GLU . 52012 1 7 . PHE . 52012 1 8 . LYS . 52012 1 9 . GLU . 52012 1 10 . PHE . 52012 1 11 . LEU . 52012 1 12 . TYR . 52012 1 13 . GLU . 52012 1 14 . TYR . 52012 1 15 . LYS . 52012 1 16 . VAL . 52012 1 17 . ILE . 52012 1 18 . PRO . 52012 1 19 . LEU . 52012 1 20 . ALA . 52012 1 21 . ILE . 52012 1 22 . ALA . 52012 1 23 . PHE . 52012 1 24 . ILE . 52012 1 25 . MET . 52012 1 26 . GLY . 52012 1 27 . ILE . 52012 1 28 . ALA . 52012 1 29 . SER . 52012 1 30 . THR . 52012 1 31 . ALA . 52012 1 32 . LEU . 52012 1 33 . ILE . 52012 1 34 . LYS . 52012 1 35 . SER . 52012 1 36 . PHE . 52012 1 37 . VAL . 52012 1 38 . ASP . 52012 1 39 . ASN . 52012 1 40 . ILE . 52012 1 41 . ILE . 52012 1 42 . MET . 52012 1 43 . PRO . 52012 1 44 . ILE . 52012 1 45 . ILE . 52012 1 46 . THR . 52012 1 47 . PRO . 52012 1 48 . PHE . 52012 1 49 . VAL . 52012 1 50 . PRO . 52012 1 51 . GLY . 52012 1 52 . GLY . 52012 1 53 . GLY . 52012 1 54 . TRP . 52012 1 55 . GLU . 52012 1 56 . THR . 52012 1 57 . ALA . 52012 1 58 . THR . 52012 1 59 . VAL . 52012 1 60 . GLU . 52012 1 61 . LEU . 52012 1 62 . GLY . 52012 1 63 . PRO . 52012 1 64 . ILE . 52012 1 65 . VAL . 52012 1 66 . ILE . 52012 1 67 . SER . 52012 1 68 . TRP . 52012 1 69 . GLY . 52012 1 70 . ALA . 52012 1 71 . PHE . 52012 1 72 . LEU . 52012 1 73 . GLY . 52012 1 74 . GLU . 52012 1 75 . LEU . 52012 1 76 . VAL . 52012 1 77 . ASN . 52012 1 78 . PHE . 52012 1 79 . ILE . 52012 1 80 . ILE . 52012 1 81 . ILE . 52012 1 82 . ALA . 52012 1 83 . PHE . 52012 1 84 . ALA . 52012 1 85 . VAL . 52012 1 86 . PHE . 52012 1 87 . ILE . 52012 1 88 . ILE . 52012 1 89 . ALA . 52012 1 90 . LYS . 52012 1 91 . LYS . 52012 1 92 . VAL . 52012 1 93 . LEU . 52012 1 94 . GLN . 52012 1 95 . GLU . 52012 1 96 . GLU . 52012 1 97 . LYS . 52012 1 98 . VAL . 52012 1 99 . GLU . 52012 1 100 . LYS . 52012 1 101 . LYS . 52012 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 52012 1 . GLY 2 2 52012 1 . LEU 3 3 52012 1 . PHE 4 4 52012 1 . SER 5 5 52012 1 . GLU 6 6 52012 1 . PHE 7 7 52012 1 . LYS 8 8 52012 1 . GLU 9 9 52012 1 . PHE 10 10 52012 1 . LEU 11 11 52012 1 . TYR 12 12 52012 1 . GLU 13 13 52012 1 . TYR 14 14 52012 1 . LYS 15 15 52012 1 . VAL 16 16 52012 1 . ILE 17 17 52012 1 . PRO 18 18 52012 1 . LEU 19 19 52012 1 . ALA 20 20 52012 1 . ILE 21 21 52012 1 . ALA 22 22 52012 1 . PHE 23 23 52012 1 . ILE 24 24 52012 1 . MET 25 25 52012 1 . GLY 26 26 52012 1 . ILE 27 27 52012 1 . ALA 28 28 52012 1 . SER 29 29 52012 1 . THR 30 30 52012 1 . ALA 31 31 52012 1 . LEU 32 32 52012 1 . ILE 33 33 52012 1 . LYS 34 34 52012 1 . SER 35 35 52012 1 . PHE 36 36 52012 1 . VAL 37 37 52012 1 . ASP 38 38 52012 1 . ASN 39 39 52012 1 . ILE 40 40 52012 1 . ILE 41 41 52012 1 . MET 42 42 52012 1 . PRO 43 43 52012 1 . ILE 44 44 52012 1 . ILE 45 45 52012 1 . THR 46 46 52012 1 . PRO 47 47 52012 1 . PHE 48 48 52012 1 . VAL 49 49 52012 1 . PRO 50 50 52012 1 . GLY 51 51 52012 1 . GLY 52 52 52012 1 . GLY 53 53 52012 1 . TRP 54 54 52012 1 . GLU 55 55 52012 1 . THR 56 56 52012 1 . ALA 57 57 52012 1 . THR 58 58 52012 1 . VAL 59 59 52012 1 . GLU 60 60 52012 1 . LEU 61 61 52012 1 . GLY 62 62 52012 1 . PRO 63 63 52012 1 . ILE 64 64 52012 1 . VAL 65 65 52012 1 . ILE 66 66 52012 1 . SER 67 67 52012 1 . TRP 68 68 52012 1 . GLY 69 69 52012 1 . ALA 70 70 52012 1 . PHE 71 71 52012 1 . LEU 72 72 52012 1 . GLY 73 73 52012 1 . GLU 74 74 52012 1 . LEU 75 75 52012 1 . VAL 76 76 52012 1 . ASN 77 77 52012 1 . PHE 78 78 52012 1 . ILE 79 79 52012 1 . ILE 80 80 52012 1 . ILE 81 81 52012 1 . ALA 82 82 52012 1 . PHE 83 83 52012 1 . ALA 84 84 52012 1 . VAL 85 85 52012 1 . PHE 86 86 52012 1 . ILE 87 87 52012 1 . ILE 88 88 52012 1 . ALA 89 89 52012 1 . LYS 90 90 52012 1 . LYS 91 91 52012 1 . VAL 92 92 52012 1 . LEU 93 93 52012 1 . GLN 94 94 52012 1 . GLU 95 95 52012 1 . GLU 96 96 52012 1 . LYS 97 97 52012 1 . VAL 98 98 52012 1 . GLU 99 99 52012 1 . LYS 100 100 52012 1 . LYS 101 101 52012 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 52012 _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 . 2214 organism . 'Methanosarcina acetivorans' 'Methanosarcina acetivorans' . . Archaea . Methanosarcina acetivorans . . . . . . . . . . . . . 52012 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 52012 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 52012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52012 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '30% 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 'Inner membranes containing MaMscL' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 76.9% . . '% w/w' . . . . 52012 1 2 H2O 'natural abundance' . . . . . . 23.1% . . '% w/w' . . . . 52012 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 52012 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 . pH 52012 1 pressure 101.325 . kPa 52012 1 temperature 277 . K 52012 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52012 _Software.ID 1 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52012 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52012 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52012 2 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 52012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 52012 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NCACX no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52012 1 2 NCOCX no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52012 1 3 CONCA no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52012 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 52012 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 . . . . . 52012 1 N 15 DSS 'methyl carbon' . . . . ppm 0 external indirect 0.1 . . . . . 52012 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 52012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MaMscL chemical shifts in native cellular membranes' _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 . . . 52012 1 2 NCOCX . . . 52012 1 3 CONCA . . . 52012 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 . . 52012 1 2 $software_2 . . 52012 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 17 17 ILE C C 13 175.1 0.3 . 1 . . . . . 17 ILE C . 52012 1 2 . 1 . 1 17 17 ILE CA C 13 66.9 0.3 . 1 . . . . . 17 ILE CA . 52012 1 3 . 1 . 1 17 17 ILE CB C 13 34.2 0.3 . 1 . . . . . 17 ILE CB . 52012 1 4 . 1 . 1 17 17 ILE CG2 C 13 18.1 0.3 . 1 . . . . . 17 ILE CG2 . 52012 1 5 . 1 . 1 17 17 ILE CD1 C 13 12.5 0.3 . 1 . . . . . 17 ILE CD1 . 52012 1 6 . 1 . 1 17 17 ILE N N 15 117.3 0.3 . 1 . . . . . 17 ILE N . 52012 1 7 . 1 . 1 18 18 PRO C C 13 177.6 0.3 . 1 . . . . . 18 PRO C . 52012 1 8 . 1 . 1 18 18 PRO CA C 13 66.6 0.3 . 1 . . . . . 18 PRO CA . 52012 1 9 . 1 . 1 18 18 PRO CB C 13 31.1 0.3 . 1 . . . . . 18 PRO CB . 52012 1 10 . 1 . 1 18 18 PRO CG C 13 28.8 0.3 . 1 . . . . . 18 PRO CG . 52012 1 11 . 1 . 1 18 18 PRO CD C 13 49.0 0.3 . 1 . . . . . 18 PRO CD . 52012 1 12 . 1 . 1 18 18 PRO N N 15 134.2 0.3 . 1 . . . . . 18 PRO N . 52012 1 13 . 1 . 1 19 19 LEU CA C 13 62.0 0.3 . 1 . . . . . 19 LEU CA . 52012 1 14 . 1 . 1 19 19 LEU N N 15 114.5 0.3 . 1 . . . . . 19 LEU N . 52012 1 15 . 1 . 1 20 20 ALA C C 13 180.0 0.3 . 1 . . . . . 20 ALA C . 52012 1 16 . 1 . 1 20 20 ALA CA C 13 55.1 0.3 . 1 . . . . . 20 ALA CA . 52012 1 17 . 1 . 1 20 20 ALA CB C 13 18.3 0.3 . 1 . . . . . 20 ALA CB . 52012 1 18 . 1 . 1 20 20 ALA N N 15 120.8 0.3 . 1 . . . . . 20 ALA N . 52012 1 19 . 1 . 1 21 21 ILE C C 13 177.6 0.3 . 1 . . . . . 21 ILE C . 52012 1 20 . 1 . 1 21 21 ILE CA C 13 64.5 0.3 . 1 . . . . . 21 ILE CA . 52012 1 21 . 1 . 1 21 21 ILE CB C 13 36.3 0.3 . 1 . . . . . 21 ILE CB . 52012 1 22 . 1 . 1 21 21 ILE N N 15 115.9 0.3 . 1 . . . . . 21 ILE N . 52012 1 23 . 1 . 1 22 22 ALA C C 13 178.9 0.3 . 1 . . . . . 22 ALA C . 52012 1 24 . 1 . 1 22 22 ALA CA C 13 55.0 0.3 . 1 . . . . . 22 ALA CA . 52012 1 25 . 1 . 1 22 22 ALA CB C 13 18.3 0.3 . 1 . . . . . 22 ALA CB . 52012 1 26 . 1 . 1 22 22 ALA N N 15 120.2 0.3 . 1 . . . . . 22 ALA N . 52012 1 27 . 1 . 1 23 23 PHE C C 13 178.1 0.3 . 1 . . . . . 23 PHE C . 52012 1 28 . 1 . 1 23 23 PHE CA C 13 61.2 0.3 . 1 . . . . . 23 PHE CA . 52012 1 29 . 1 . 1 23 23 PHE CB C 13 39.6 0.3 . 1 . . . . . 23 PHE CB . 52012 1 30 . 1 . 1 23 23 PHE N N 15 120.9 0.3 . 1 . . . . . 23 PHE N . 52012 1 31 . 1 . 1 24 24 ILE C C 13 177.9 0.3 . 1 . . . . . 24 ILE C . 52012 1 32 . 1 . 1 24 24 ILE CA C 13 66.0 0.3 . 1 . . . . . 24 ILE CA . 52012 1 33 . 1 . 1 24 24 ILE CB C 13 38.2 0.3 . 1 . . . . . 24 ILE CB . 52012 1 34 . 1 . 1 24 24 ILE CG1 C 13 30.8 0.3 . 1 . . . . . 24 ILE CG1 . 52012 1 35 . 1 . 1 24 24 ILE CG2 C 13 17.5 0.3 . 1 . . . . . 24 ILE CG2 . 52012 1 36 . 1 . 1 24 24 ILE CD1 C 13 13.8 0.3 . 1 . . . . . 24 ILE CD1 . 52012 1 37 . 1 . 1 24 24 ILE N N 15 120.3 0.3 . 1 . . . . . 24 ILE N . 52012 1 38 . 1 . 1 25 25 MET C C 13 179.9 0.3 . 1 . . . . . 25 MET C . 52012 1 39 . 1 . 1 25 25 MET CA C 13 59.9 0.3 . 1 . . . . . 25 MET CA . 52012 1 40 . 1 . 1 25 25 MET CB C 13 33.5 0.3 . 1 . . . . . 25 MET CB . 52012 1 41 . 1 . 1 25 25 MET CG C 13 32.0 0.3 . 1 . . . . . 25 MET CG . 52012 1 42 . 1 . 1 25 25 MET CE C 13 21.0 0.3 . 1 . . . . . 25 MET CE . 52012 1 43 . 1 . 1 25 25 MET N N 15 116.3 0.3 . 1 . . . . . 25 MET N . 52012 1 44 . 1 . 1 26 26 GLY C C 13 174.8 0.3 . 1 . . . . . 26 GLY C . 52012 1 45 . 1 . 1 26 26 GLY CA C 13 47.5 0.3 . 1 . . . . . 26 GLY CA . 52012 1 46 . 1 . 1 26 26 GLY N N 15 109.8 0.3 . 1 . . . . . 26 GLY N . 52012 1 47 . 1 . 1 27 27 ILE C C 13 177.3 0.3 . 1 . . . . . 27 ILE C . 52012 1 48 . 1 . 1 27 27 ILE CA C 13 65.1 0.3 . 1 . . . . . 27 ILE CA . 52012 1 49 . 1 . 1 27 27 ILE CB C 13 39.0 0.3 . 1 . . . . . 27 ILE CB . 52012 1 50 . 1 . 1 27 27 ILE CG1 C 13 28.8 0.3 . 1 . . . . . 27 ILE CG1 . 52012 1 51 . 1 . 1 27 27 ILE CG2 C 13 16.6 0.3 . 1 . . . . . 27 ILE CG2 . 52012 1 52 . 1 . 1 27 27 ILE CD1 C 13 12.4 0.3 . 1 . . . . . 27 ILE CD1 . 52012 1 53 . 1 . 1 27 27 ILE N N 15 125.3 0.3 . 1 . . . . . 27 ILE N . 52012 1 54 . 1 . 1 28 28 ALA C C 13 181.6 0.3 . 1 . . . . . 28 ALA C . 52012 1 55 . 1 . 1 28 28 ALA CA C 13 54.9 0.3 . 1 . . . . . 28 ALA CA . 52012 1 56 . 1 . 1 28 28 ALA CB C 13 19.3 0.3 . 1 . . . . . 28 ALA CB . 52012 1 57 . 1 . 1 28 28 ALA N N 15 119.4 0.3 . 1 . . . . . 28 ALA N . 52012 1 58 . 1 . 1 29 29 SER C C 13 176.1 0.3 . 1 . . . . . 29 SER C . 52012 1 59 . 1 . 1 29 29 SER CA C 13 63.0 0.3 . 1 . . . . . 29 SER CA . 52012 1 60 . 1 . 1 29 29 SER CB C 13 63.3 0.3 . 1 . . . . . 29 SER CB . 52012 1 61 . 1 . 1 29 29 SER N N 15 112.2 0.3 . 1 . . . . . 29 SER N . 52012 1 62 . 1 . 1 30 30 THR C C 13 178.5 0.3 . 1 . . . . . 30 THR C . 52012 1 63 . 1 . 1 30 30 THR CA C 13 64.9 0.3 . 1 . . . . . 30 THR CA . 52012 1 64 . 1 . 1 30 30 THR CB C 13 68.4 0.3 . 1 . . . . . 30 THR CB . 52012 1 65 . 1 . 1 30 30 THR CG2 C 13 23.5 0.3 . 1 . . . . . 30 THR CG2 . 52012 1 66 . 1 . 1 30 30 THR N N 15 112.2 0.3 . 1 . . . . . 30 THR N . 52012 1 67 . 1 . 1 31 31 ALA C C 13 180.7 0.3 . 1 . . . . . 31 ALA C . 52012 1 68 . 1 . 1 31 31 ALA CA C 13 55.4 0.3 . 1 . . . . . 31 ALA CA . 52012 1 69 . 1 . 1 31 31 ALA CB C 13 18.7 0.3 . 1 . . . . . 31 ALA CB . 52012 1 70 . 1 . 1 31 31 ALA N N 15 125.6 0.3 . 1 . . . . . 31 ALA N . 52012 1 71 . 1 . 1 32 32 LEU C C 13 178.4 0.3 . 1 . . . . . 32 LEU C . 52012 1 72 . 1 . 1 32 32 LEU CA C 13 58.3 0.3 . 1 . . . . . 32 LEU CA . 52012 1 73 . 1 . 1 32 32 LEU CB C 13 41.1 0.3 . 1 . . . . . 32 LEU CB . 52012 1 74 . 1 . 1 32 32 LEU CG C 13 26.6 0.3 . 1 . . . . . 32 LEU CG . 52012 1 75 . 1 . 1 32 32 LEU CD1 C 13 24.2 0.3 . 1 . . . . . 32 LEU CD1 . 52012 1 76 . 1 . 1 32 32 LEU CD2 C 13 23.1 0.3 . 1 . . . . . 32 LEU CD2 . 52012 1 77 . 1 . 1 32 32 LEU N N 15 119.6 0.3 . 1 . . . . . 32 LEU N . 52012 1 78 . 1 . 1 33 33 ILE C C 13 177.2 0.3 . 1 . . . . . 33 ILE C . 52012 1 79 . 1 . 1 33 33 ILE CA C 13 64.8 0.3 . 1 . . . . . 33 ILE CA . 52012 1 80 . 1 . 1 33 33 ILE CB C 13 36.9 0.3 . 1 . . . . . 33 ILE CB . 52012 1 81 . 1 . 1 33 33 ILE CG1 C 13 29.7 0.3 . 1 . . . . . 33 ILE CG1 . 52012 1 82 . 1 . 1 33 33 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 33 ILE CG2 . 52012 1 83 . 1 . 1 33 33 ILE CD1 C 13 11.7 0.3 . 1 . . . . . 33 ILE CD1 . 52012 1 84 . 1 . 1 33 33 ILE N N 15 118.4 0.3 . 1 . . . . . 33 ILE N . 52012 1 85 . 1 . 1 34 34 LYS C C 13 177.5 0.3 . 1 . . . . . 34 LYS C . 52012 1 86 . 1 . 1 34 34 LYS CA C 13 59.2 0.3 . 1 . . . . . 34 LYS CA . 52012 1 87 . 1 . 1 34 34 LYS CB C 13 31.8 0.3 . 1 . . . . . 34 LYS CB . 52012 1 88 . 1 . 1 34 34 LYS CG C 13 24.5 0.3 . 1 . . . . . 34 LYS CG . 52012 1 89 . 1 . 1 34 34 LYS CD C 13 28.5 0.3 . 1 . . . . . 34 LYS CD . 52012 1 90 . 1 . 1 34 34 LYS CE C 13 42.2 0.3 . 1 . . . . . 34 LYS CE . 52012 1 91 . 1 . 1 34 34 LYS N N 15 119.6 0.3 . 1 . . . . . 34 LYS N . 52012 1 92 . 1 . 1 35 35 SER C C 13 178.6 0.3 . 1 . . . . . 35 SER C . 52012 1 93 . 1 . 1 35 35 SER CA C 13 61.2 0.3 . 1 . . . . . 35 SER CA . 52012 1 94 . 1 . 1 35 35 SER CB C 13 64.1 0.3 . 1 . . . . . 35 SER CB . 52012 1 95 . 1 . 1 35 35 SER N N 15 111.4 0.3 . 1 . . . . . 35 SER N . 52012 1 96 . 1 . 1 36 36 PHE C C 13 177.7 0.3 . 1 . . . . . 36 PHE C . 52012 1 97 . 1 . 1 36 36 PHE CA C 13 60.5 0.3 . 1 . . . . . 36 PHE CA . 52012 1 98 . 1 . 1 36 36 PHE CB C 13 39.5 0.3 . 1 . . . . . 36 PHE CB . 52012 1 99 . 1 . 1 36 36 PHE N N 15 120.9 0.3 . 1 . . . . . 36 PHE N . 52012 1 100 . 1 . 1 37 37 VAL C C 13 176.6 0.3 . 1 . . . . . 37 VAL C . 52012 1 101 . 1 . 1 37 37 VAL CA C 13 66.9 0.3 . 1 . . . . . 37 VAL CA . 52012 1 102 . 1 . 1 37 37 VAL CB C 13 31.5 0.3 . 1 . . . . . 37 VAL CB . 52012 1 103 . 1 . 1 37 37 VAL CG1 C 13 24.7 0.3 . 1 . . . . . 37 VAL CG1 . 52012 1 104 . 1 . 1 37 37 VAL CG2 C 13 22.5 0.3 . 1 . . . . . 37 VAL CG2 . 52012 1 105 . 1 . 1 37 37 VAL N N 15 121.4 0.3 . 1 . . . . . 37 VAL N . 52012 1 106 . 1 . 1 38 38 ASP C C 13 177.6 0.3 . 1 . . . . . 38 ASP C . 52012 1 107 . 1 . 1 38 38 ASP CA C 13 57.0 0.3 . 1 . . . . . 38 ASP CA . 52012 1 108 . 1 . 1 38 38 ASP CB C 13 40.2 0.3 . 1 . . . . . 38 ASP CB . 52012 1 109 . 1 . 1 38 38 ASP N N 15 118.3 0.3 . 1 . . . . . 38 ASP N . 52012 1 110 . 1 . 1 39 39 ASN C C 13 174.4 0.3 . 1 . . . . . 39 ASN C . 52012 1 111 . 1 . 1 39 39 ASN CA C 13 55.6 0.3 . 1 . . . . . 39 ASN CA . 52012 1 112 . 1 . 1 39 39 ASN CB C 13 40.3 0.3 . 1 . . . . . 39 ASN CB . 52012 1 113 . 1 . 1 39 39 ASN N N 15 111.4 0.3 . 1 . . . . . 39 ASN N . 52012 1 114 . 1 . 1 40 40 ILE C C 13 174.3 0.3 . 1 . . . . . 40 ILE C . 52012 1 115 . 1 . 1 40 40 ILE CA C 13 61.5 0.3 . 1 . . . . . 40 ILE CA . 52012 1 116 . 1 . 1 40 40 ILE CB C 13 36.5 0.3 . 1 . . . . . 40 ILE CB . 52012 1 117 . 1 . 1 40 40 ILE CG1 C 13 26.8 0.3 . 1 . . . . . 40 ILE CG1 . 52012 1 118 . 1 . 1 40 40 ILE CG2 C 13 17.5 0.3 . 1 . . . . . 40 ILE CG2 . 52012 1 119 . 1 . 1 40 40 ILE CD1 C 13 10.5 0.3 . 1 . . . . . 40 ILE CD1 . 52012 1 120 . 1 . 1 40 40 ILE N N 15 115.5 0.3 . 1 . . . . . 40 ILE N . 52012 1 121 . 1 . 1 41 41 ILE C C 13 177.1 0.3 . 1 . . . . . 41 ILE C . 52012 1 122 . 1 . 1 41 41 ILE CA C 13 64.0 0.3 . 1 . . . . . 41 ILE CA . 52012 1 123 . 1 . 1 41 41 ILE CB C 13 36.3 0.3 . 1 . . . . . 41 ILE CB . 52012 1 124 . 1 . 1 41 41 ILE CG1 C 13 27.1 0.3 . 1 . . . . . 41 ILE CG1 . 52012 1 125 . 1 . 1 41 41 ILE CG2 C 13 17.0 0.3 . 1 . . . . . 41 ILE CG2 . 52012 1 126 . 1 . 1 41 41 ILE CD1 C 13 10.7 0.3 . 1 . . . . . 41 ILE CD1 . 52012 1 127 . 1 . 1 41 41 ILE N N 15 115.4 0.3 . 1 . . . . . 41 ILE N . 52012 1 128 . 1 . 1 42 42 MET C C 13 177.9 0.3 . 1 . . . . . 42 MET C . 52012 1 129 . 1 . 1 42 42 MET CA C 13 55.9 0.3 . 1 . . . . . 42 MET CA . 52012 1 130 . 1 . 1 42 42 MET CB C 13 30.8 0.3 . 1 . . . . . 42 MET CB . 52012 1 131 . 1 . 1 42 42 MET CE C 13 12.7 0.3 . 1 . . . . . 42 MET CE . 52012 1 132 . 1 . 1 42 42 MET N N 15 115.2 0.3 . 1 . . . . . 42 MET N . 52012 1 133 . 1 . 1 43 43 PRO C C 13 178.5 0.3 . 1 . . . . . 43 PRO C . 52012 1 134 . 1 . 1 43 43 PRO CA C 13 65.7 0.3 . 1 . . . . . 43 PRO CA . 52012 1 135 . 1 . 1 43 43 PRO CB C 13 33.2 0.3 . 1 . . . . . 43 PRO CB . 52012 1 136 . 1 . 1 43 43 PRO CG C 13 29.2 0.3 . 1 . . . . . 43 PRO CG . 52012 1 137 . 1 . 1 43 43 PRO CD C 13 49.8 0.3 . 1 . . . . . 43 PRO CD . 52012 1 138 . 1 . 1 43 43 PRO N N 15 134.9 0.3 . 1 . . . . . 43 PRO N . 52012 1 139 . 1 . 1 44 44 ILE C C 13 174.5 0.3 . 1 . . . . . 44 ILE C . 52012 1 140 . 1 . 1 44 44 ILE CA C 13 64.8 0.3 . 1 . . . . . 44 ILE CA . 52012 1 141 . 1 . 1 44 44 ILE CB C 13 38.0 0.3 . 1 . . . . . 44 ILE CB . 52012 1 142 . 1 . 1 44 44 ILE CG1 C 13 30.3 0.3 . 1 . . . . . 44 ILE CG1 . 52012 1 143 . 1 . 1 44 44 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 44 ILE CG2 . 52012 1 144 . 1 . 1 44 44 ILE CD1 C 13 15.0 0.3 . 1 . . . . . 44 ILE CD1 . 52012 1 145 . 1 . 1 44 44 ILE N N 15 115.3 0.3 . 1 . . . . . 44 ILE N . 52012 1 146 . 1 . 1 45 45 ILE C C 13 174.4 0.3 . 1 . . . . . 45 ILE C . 52012 1 147 . 1 . 1 45 45 ILE CA C 13 61.6 0.3 . 1 . . . . . 45 ILE CA . 52012 1 148 . 1 . 1 45 45 ILE CB C 13 38.0 0.3 . 1 . . . . . 45 ILE CB . 52012 1 149 . 1 . 1 45 45 ILE CG1 C 13 26.4 0.3 . 1 . . . . . 45 ILE CG1 . 52012 1 150 . 1 . 1 45 45 ILE CG2 C 13 17.8 0.3 . 1 . . . . . 45 ILE CG2 . 52012 1 151 . 1 . 1 45 45 ILE CD1 C 13 14.1 0.3 . 1 . . . . . 45 ILE CD1 . 52012 1 152 . 1 . 1 45 45 ILE N N 15 105.1 0.3 . 1 . . . . . 45 ILE N . 52012 1 153 . 1 . 1 46 46 THR C C 13 173.1 0.3 . 1 . . . . . 46 THR C . 52012 1 154 . 1 . 1 46 46 THR CA C 13 58.6 0.3 . 1 . . . . . 46 THR CA . 52012 1 155 . 1 . 1 46 46 THR CB C 13 68.1 0.3 . 1 . . . . . 46 THR CB . 52012 1 156 . 1 . 1 46 46 THR CG2 C 13 21.6 0.3 . 1 . . . . . 46 THR CG2 . 52012 1 157 . 1 . 1 46 46 THR N N 15 105.1 0.3 . 1 . . . . . 46 THR N . 52012 1 158 . 1 . 1 47 47 PRO C C 13 174.9 0.3 . 1 . . . . . 47 PRO C . 52012 1 159 . 1 . 1 47 47 PRO CA C 13 64.9 0.3 . 1 . . . . . 47 PRO CA . 52012 1 160 . 1 . 1 47 47 PRO CB C 13 31.2 0.3 . 1 . . . . . 47 PRO CB . 52012 1 161 . 1 . 1 47 47 PRO CG C 13 27.9 0.3 . 1 . . . . . 47 PRO CG . 52012 1 162 . 1 . 1 47 47 PRO CD C 13 49.9 0.3 . 1 . . . . . 47 PRO CD . 52012 1 163 . 1 . 1 47 47 PRO N N 15 135.2 0.3 . 1 . . . . . 47 PRO N . 52012 1 164 . 1 . 1 48 48 PHE C C 13 175.2 0.3 . 1 . . . . . 48 PHE C . 52012 1 165 . 1 . 1 48 48 PHE CA C 13 55.4 0.3 . 1 . . . . . 48 PHE CA . 52012 1 166 . 1 . 1 48 48 PHE CB C 13 40.1 0.3 . 1 . . . . . 48 PHE CB . 52012 1 167 . 1 . 1 48 48 PHE N N 15 110.8 0.3 . 1 . . . . . 48 PHE N . 52012 1 168 . 1 . 1 49 49 VAL C C 13 174.2 0.3 . 1 . . . . . 49 VAL C . 52012 1 169 . 1 . 1 49 49 VAL CA C 13 60.1 0.3 . 1 . . . . . 49 VAL CA . 52012 1 170 . 1 . 1 49 49 VAL CB C 13 31.0 0.3 . 1 . . . . . 49 VAL CB . 52012 1 171 . 1 . 1 49 49 VAL CG1 C 13 21.6 0.3 . 1 . . . . . 49 VAL CG1 . 52012 1 172 . 1 . 1 49 49 VAL CG2 C 13 20.8 0.3 . 1 . . . . . 49 VAL CG2 . 52012 1 173 . 1 . 1 49 49 VAL N N 15 126.9 0.3 . 1 . . . . . 49 VAL N . 52012 1 174 . 1 . 1 50 50 PRO C C 13 178.7 0.3 . 1 . . . . . 50 PRO C . 52012 1 175 . 1 . 1 50 50 PRO CA C 13 63.3 0.3 . 1 . . . . . 50 PRO CA . 52012 1 176 . 1 . 1 50 50 PRO CB C 13 33.1 0.3 . 1 . . . . . 50 PRO CB . 52012 1 177 . 1 . 1 50 50 PRO CG C 13 27.3 0.3 . 1 . . . . . 50 PRO CG . 52012 1 178 . 1 . 1 50 50 PRO CD C 13 51.7 0.3 . 1 . . . . . 50 PRO CD . 52012 1 179 . 1 . 1 50 50 PRO N N 15 138.1 0.3 . 1 . . . . . 50 PRO N . 52012 1 180 . 1 . 1 51 51 GLY C C 13 176.3 0.3 . 1 . . . . . 51 GLY C . 52012 1 181 . 1 . 1 51 51 GLY CA C 13 46.6 0.3 . 1 . . . . . 51 GLY CA . 52012 1 182 . 1 . 1 51 51 GLY N N 15 110.7 0.3 . 1 . . . . . 51 GLY N . 52012 1 183 . 1 . 1 52 52 GLY C C 13 177.5 0.3 . 1 . . . . . 52 GLY C . 52012 1 184 . 1 . 1 52 52 GLY CA C 13 46.9 0.3 . 1 . . . . . 52 GLY CA . 52012 1 185 . 1 . 1 52 52 GLY N N 15 109.9 0.3 . 1 . . . . . 52 GLY N . 52012 1 186 . 1 . 1 53 53 GLY C C 13 174.9 0.3 . 1 . . . . . 53 GLY C . 52012 1 187 . 1 . 1 53 53 GLY CA C 13 46.7 0.3 . 1 . . . . . 53 GLY CA . 52012 1 188 . 1 . 1 53 53 GLY N N 15 104.4 0.3 . 1 . . . . . 53 GLY N . 52012 1 189 . 1 . 1 54 54 TRP C C 13 175.3 0.3 . 1 . . . . . 54 TRP C . 52012 1 190 . 1 . 1 54 54 TRP CA C 13 60.3 0.3 . 1 . . . . . 54 TRP CA . 52012 1 191 . 1 . 1 54 54 TRP CB C 13 27.1 0.3 . 1 . . . . . 54 TRP CB . 52012 1 192 . 1 . 1 54 54 TRP N N 15 122.9 0.3 . 1 . . . . . 54 TRP N . 52012 1 193 . 1 . 1 55 55 GLU C C 13 178.1 0.3 . 1 . . . . . 55 GLU C . 52012 1 194 . 1 . 1 55 55 GLU CA C 13 59.9 0.3 . 1 . . . . . 55 GLU CA . 52012 1 195 . 1 . 1 55 55 GLU CB C 13 28.4 0.3 . 1 . . . . . 55 GLU CB . 52012 1 196 . 1 . 1 55 55 GLU CG C 13 36.2 0.3 . 1 . . . . . 55 GLU CG . 52012 1 197 . 1 . 1 55 55 GLU N N 15 122.4 0.3 . 1 . . . . . 55 GLU N . 52012 1 198 . 1 . 1 56 56 THR C C 13 173.8 0.3 . 1 . . . . . 56 THR C . 52012 1 199 . 1 . 1 56 56 THR CA C 13 59.1 0.3 . 1 . . . . . 56 THR CA . 52012 1 200 . 1 . 1 56 56 THR CB C 13 68.0 0.3 . 1 . . . . . 56 THR CB . 52012 1 201 . 1 . 1 56 56 THR CG2 C 13 21.8 0.3 . 1 . . . . . 56 THR CG2 . 52012 1 202 . 1 . 1 56 56 THR N N 15 105.8 0.3 . 1 . . . . . 56 THR N . 52012 1 203 . 1 . 1 57 57 ALA C C 13 178.3 0.3 . 1 . . . . . 57 ALA C . 52012 1 204 . 1 . 1 57 57 ALA CA C 13 53.2 0.3 . 1 . . . . . 57 ALA CA . 52012 1 205 . 1 . 1 57 57 ALA CB C 13 19.7 0.3 . 1 . . . . . 57 ALA CB . 52012 1 206 . 1 . 1 57 57 ALA N N 15 126.0 0.3 . 1 . . . . . 57 ALA N . 52012 1 207 . 1 . 1 58 58 THR C C 13 175.1 0.3 . 1 . . . . . 58 THR C . 52012 1 208 . 1 . 1 58 58 THR CA C 13 59.6 0.3 . 1 . . . . . 58 THR CA . 52012 1 209 . 1 . 1 58 58 THR CB C 13 71.8 0.3 . 1 . . . . . 58 THR CB . 52012 1 210 . 1 . 1 58 58 THR N N 15 114.2 0.3 . 1 . . . . . 58 THR N . 52012 1 211 . 1 . 1 59 59 VAL C C 13 172.6 0.3 . 1 . . . . . 59 VAL C . 52012 1 212 . 1 . 1 59 59 VAL CA C 13 60.1 0.3 . 1 . . . . . 59 VAL CA . 52012 1 213 . 1 . 1 59 59 VAL CB C 13 35.0 0.3 . 1 . . . . . 59 VAL CB . 52012 1 214 . 1 . 1 59 59 VAL CG1 C 13 21.2 0.3 . 1 . . . . . 59 VAL CG1 . 52012 1 215 . 1 . 1 59 59 VAL CG2 C 13 20.8 0.3 . 1 . . . . . 59 VAL CG2 . 52012 1 216 . 1 . 1 59 59 VAL N N 15 116.7 0.3 . 1 . . . . . 59 VAL N . 52012 1 217 . 1 . 1 60 60 GLU C C 13 175.4 0.3 . 1 . . . . . 60 GLU C . 52012 1 218 . 1 . 1 60 60 GLU CA C 13 54.9 0.3 . 1 . . . . . 60 GLU CA . 52012 1 219 . 1 . 1 60 60 GLU CB C 13 30.9 0.3 . 1 . . . . . 60 GLU CB . 52012 1 220 . 1 . 1 60 60 GLU CG C 13 37.0 0.3 . 1 . . . . . 60 GLU CG . 52012 1 221 . 1 . 1 60 60 GLU CD C 13 184.1 0.3 . 1 . . . . . 60 GLU CD . 52012 1 222 . 1 . 1 60 60 GLU N N 15 126.3 0.3 . 1 . . . . . 60 GLU N . 52012 1 223 . 1 . 1 61 61 LEU C C 13 175.6 0.3 . 1 . . . . . 61 LEU C . 52012 1 224 . 1 . 1 61 61 LEU CA C 13 52.2 0.3 . 1 . . . . . 61 LEU CA . 52012 1 225 . 1 . 1 61 61 LEU CB C 13 42.2 0.3 . 1 . . . . . 61 LEU CB . 52012 1 226 . 1 . 1 61 61 LEU CG C 13 26.8 0.3 . 1 . . . . . 61 LEU CG . 52012 1 227 . 1 . 1 61 61 LEU CD1 C 13 26.1 0.3 . 1 . . . . . 61 LEU CD1 . 52012 1 228 . 1 . 1 61 61 LEU CD2 C 13 24.9 0.3 . 1 . . . . . 61 LEU CD2 . 52012 1 229 . 1 . 1 61 61 LEU N N 15 126.1 0.3 . 1 . . . . . 61 LEU N . 52012 1 230 . 1 . 1 62 62 GLY C C 13 173.4 0.3 . 1 . . . . . 62 GLY C . 52012 1 231 . 1 . 1 62 62 GLY CA C 13 44.9 0.3 . 1 . . . . . 62 GLY CA . 52012 1 232 . 1 . 1 62 62 GLY N N 15 114.9 0.3 . 1 . . . . . 62 GLY N . 52012 1 233 . 1 . 1 63 63 PRO C C 13 175.9 0.3 . 1 . . . . . 63 PRO C . 52012 1 234 . 1 . 1 63 63 PRO CA C 13 63.3 0.3 . 1 . . . . . 63 PRO CA . 52012 1 235 . 1 . 1 63 63 PRO CB C 13 32.4 0.3 . 1 . . . . . 63 PRO CB . 52012 1 236 . 1 . 1 63 63 PRO CG C 13 26.4 0.3 . 1 . . . . . 63 PRO CG . 52012 1 237 . 1 . 1 63 63 PRO CD C 13 50.0 0.3 . 1 . . . . . 63 PRO CD . 52012 1 238 . 1 . 1 63 63 PRO N N 15 136.6 0.3 . 1 . . . . . 63 PRO N . 52012 1 239 . 1 . 1 64 64 ILE C C 13 174.9 0.3 . 1 . . . . . 64 ILE C . 52012 1 240 . 1 . 1 64 64 ILE CA C 13 60.9 0.3 . 1 . . . . . 64 ILE CA . 52012 1 241 . 1 . 1 64 64 ILE CB C 13 38.7 0.3 . 1 . . . . . 64 ILE CB . 52012 1 242 . 1 . 1 64 64 ILE CG1 C 13 28.9 0.3 . 1 . . . . . 64 ILE CG1 . 52012 1 243 . 1 . 1 64 64 ILE CG2 C 13 17.7 0.3 . 1 . . . . . 64 ILE CG2 . 52012 1 244 . 1 . 1 64 64 ILE CD1 C 13 14.6 0.3 . 1 . . . . . 64 ILE CD1 . 52012 1 245 . 1 . 1 64 64 ILE N N 15 123.9 0.3 . 1 . . . . . 64 ILE N . 52012 1 246 . 1 . 1 65 65 VAL C C 13 175.0 0.3 . 1 . . . . . 65 VAL C . 52012 1 247 . 1 . 1 65 65 VAL CA C 13 61.5 0.3 . 1 . . . . . 65 VAL CA . 52012 1 248 . 1 . 1 65 65 VAL CB C 13 32.9 0.3 . 1 . . . . . 65 VAL CB . 52012 1 249 . 1 . 1 65 65 VAL CG1 C 13 21.4 0.3 . 1 . . . . . 65 VAL CG1 . 52012 1 250 . 1 . 1 65 65 VAL CG2 C 13 21.0 0.3 . 1 . . . . . 65 VAL CG2 . 52012 1 251 . 1 . 1 65 65 VAL N N 15 128.4 0.3 . 1 . . . . . 65 VAL N . 52012 1 252 . 1 . 1 66 66 ILE C C 13 177.6 0.3 . 1 . . . . . 66 ILE C . 52012 1 253 . 1 . 1 66 66 ILE CA C 13 59.7 0.3 . 1 . . . . . 66 ILE CA . 52012 1 254 . 1 . 1 66 66 ILE CB C 13 38.9 0.3 . 1 . . . . . 66 ILE CB . 52012 1 255 . 1 . 1 66 66 ILE CG1 C 13 27.7 0.3 . 1 . . . . . 66 ILE CG1 . 52012 1 256 . 1 . 1 66 66 ILE CG2 C 13 17.1 0.3 . 1 . . . . . 66 ILE CG2 . 52012 1 257 . 1 . 1 66 66 ILE CD1 C 13 12.3 0.3 . 1 . . . . . 66 ILE CD1 . 52012 1 258 . 1 . 1 66 66 ILE N N 15 126.6 0.3 . 1 . . . . . 66 ILE N . 52012 1 259 . 1 . 1 67 67 SER C C 13 174.4 0.3 . 1 . . . . . 67 SER C . 52012 1 260 . 1 . 1 67 67 SER CA C 13 58.2 0.3 . 1 . . . . . 67 SER CA . 52012 1 261 . 1 . 1 67 67 SER CB C 13 62.6 0.3 . 1 . . . . . 67 SER CB . 52012 1 262 . 1 . 1 67 67 SER N N 15 128.6 0.3 . 1 . . . . . 67 SER N . 52012 1 263 . 1 . 1 68 68 TRP C C 13 176.8 0.3 . 1 . . . . . 68 TRP C . 52012 1 264 . 1 . 1 68 68 TRP CA C 13 58.7 0.3 . 1 . . . . . 68 TRP CA . 52012 1 265 . 1 . 1 68 68 TRP CB C 13 29.2 0.3 . 1 . . . . . 68 TRP CB . 52012 1 266 . 1 . 1 68 68 TRP N N 15 120.5 0.3 . 1 . . . . . 68 TRP N . 52012 1 267 . 1 . 1 69 69 GLY C C 13 175.4 0.3 . 1 . . . . . 69 GLY C . 52012 1 268 . 1 . 1 69 69 GLY CA C 13 47.8 0.3 . 1 . . . . . 69 GLY CA . 52012 1 269 . 1 . 1 69 69 GLY N N 15 112.8 0.3 . 1 . . . . . 69 GLY N . 52012 1 270 . 1 . 1 70 70 ALA C C 13 181.3 0.3 . 1 . . . . . 70 ALA C . 52012 1 271 . 1 . 1 70 70 ALA CA C 13 54.8 0.3 . 1 . . . . . 70 ALA CA . 52012 1 272 . 1 . 1 70 70 ALA CB C 13 18.1 0.3 . 1 . . . . . 70 ALA CB . 52012 1 273 . 1 . 1 70 70 ALA N N 15 123.7 0.3 . 1 . . . . . 70 ALA N . 52012 1 274 . 1 . 1 71 71 PHE C C 13 176.2 0.3 . 1 . . . . . 71 PHE C . 52012 1 275 . 1 . 1 71 71 PHE CA C 13 60.2 0.3 . 1 . . . . . 71 PHE CA . 52012 1 276 . 1 . 1 71 71 PHE CB C 13 39.7 0.3 . 1 . . . . . 71 PHE CB . 52012 1 277 . 1 . 1 71 71 PHE N N 15 115.5 0.3 . 1 . . . . . 71 PHE N . 52012 1 278 . 1 . 1 72 72 LEU C C 13 177.8 0.3 . 1 . . . . . 72 LEU C . 52012 1 279 . 1 . 1 72 72 LEU CA C 13 58.0 0.3 . 1 . . . . . 72 LEU CA . 52012 1 280 . 1 . 1 72 72 LEU CB C 13 41.1 0.3 . 1 . . . . . 72 LEU CB . 52012 1 281 . 1 . 1 72 72 LEU CG C 13 26.8 0.3 . 1 . . . . . 72 LEU CG . 52012 1 282 . 1 . 1 72 72 LEU CD1 C 13 26.5 0.3 . 1 . . . . . 72 LEU CD1 . 52012 1 283 . 1 . 1 72 72 LEU CD2 C 13 23.1 0.3 . 1 . . . . . 72 LEU CD2 . 52012 1 284 . 1 . 1 72 72 LEU N N 15 120.2 0.3 . 1 . . . . . 72 LEU N . 52012 1 285 . 1 . 1 73 73 GLY C C 13 176.5 0.3 . 1 . . . . . 73 GLY C . 52012 1 286 . 1 . 1 73 73 GLY CA C 13 46.8 0.3 . 1 . . . . . 73 GLY CA . 52012 1 287 . 1 . 1 73 73 GLY N N 15 103.4 0.3 . 1 . . . . . 73 GLY N . 52012 1 288 . 1 . 1 74 74 GLU C C 13 177.5 0.3 . 1 . . . . . 74 GLU C . 52012 1 289 . 1 . 1 74 74 GLU CA C 13 57.8 0.3 . 1 . . . . . 74 GLU CA . 52012 1 290 . 1 . 1 74 74 GLU CB C 13 29.7 0.3 . 1 . . . . . 74 GLU CB . 52012 1 291 . 1 . 1 74 74 GLU CG C 13 36.8 0.3 . 1 . . . . . 74 GLU CG . 52012 1 292 . 1 . 1 74 74 GLU N N 15 123.8 0.3 . 1 . . . . . 74 GLU N . 52012 1 293 . 1 . 1 75 75 LEU C C 13 178.0 0.3 . 1 . . . . . 75 LEU C . 52012 1 294 . 1 . 1 75 75 LEU CA C 13 57.9 0.3 . 1 . . . . . 75 LEU CA . 52012 1 295 . 1 . 1 75 75 LEU CB C 13 41.2 0.3 . 1 . . . . . 75 LEU CB . 52012 1 296 . 1 . 1 75 75 LEU CG C 13 26.7 0.3 . 1 . . . . . 75 LEU CG . 52012 1 297 . 1 . 1 75 75 LEU CD1 C 13 25.9 0.3 . 1 . . . . . 75 LEU CD1 . 52012 1 298 . 1 . 1 75 75 LEU CD2 C 13 23.6 0.3 . 1 . . . . . 75 LEU CD2 . 52012 1 299 . 1 . 1 75 75 LEU N N 15 121.0 0.3 . 1 . . . . . 75 LEU N . 52012 1 300 . 1 . 1 76 76 VAL C C 13 177.0 0.3 . 1 . . . . . 76 VAL C . 52012 1 301 . 1 . 1 76 76 VAL CA C 13 67.4 0.3 . 1 . . . . . 76 VAL CA . 52012 1 302 . 1 . 1 76 76 VAL CB C 13 30.7 0.3 . 1 . . . . . 76 VAL CB . 52012 1 303 . 1 . 1 76 76 VAL CG1 C 13 23.0 0.3 . 1 . . . . . 76 VAL CG1 . 52012 1 304 . 1 . 1 76 76 VAL CG2 C 13 21.9 0.3 . 1 . . . . . 76 VAL CG2 . 52012 1 305 . 1 . 1 76 76 VAL N N 15 118.1 0.3 . 1 . . . . . 76 VAL N . 52012 1 306 . 1 . 1 77 77 ASN C C 13 175.4 0.3 . 1 . . . . . 77 ASN C . 52012 1 307 . 1 . 1 77 77 ASN CA C 13 57.6 0.3 . 1 . . . . . 77 ASN CA . 52012 1 308 . 1 . 1 77 77 ASN CB C 13 39.6 0.3 . 1 . . . . . 77 ASN CB . 52012 1 309 . 1 . 1 77 77 ASN CG C 13 174.0 0.3 . 1 . . . . . 77 ASN CG . 52012 1 310 . 1 . 1 77 77 ASN N N 15 116.6 0.3 . 1 . . . . . 77 ASN N . 52012 1 311 . 1 . 1 78 78 PHE C C 13 176.5 0.3 . 1 . . . . . 78 PHE C . 52012 1 312 . 1 . 1 78 78 PHE CA C 13 62.7 0.3 . 1 . . . . . 78 PHE CA . 52012 1 313 . 1 . 1 78 78 PHE CB C 13 39.6 0.3 . 1 . . . . . 78 PHE CB . 52012 1 314 . 1 . 1 78 78 PHE N N 15 119.2 0.3 . 1 . . . . . 78 PHE N . 52012 1 315 . 1 . 1 79 79 ILE C C 13 177.2 0.3 . 1 . . . . . 79 ILE C . 52012 1 316 . 1 . 1 79 79 ILE CA C 13 65.3 0.3 . 1 . . . . . 79 ILE CA . 52012 1 317 . 1 . 1 79 79 ILE CB C 13 37.7 0.3 . 1 . . . . . 79 ILE CB . 52012 1 318 . 1 . 1 79 79 ILE CG1 C 13 29.6 0.3 . 1 . . . . . 79 ILE CG1 . 52012 1 319 . 1 . 1 79 79 ILE CG2 C 13 17.6 0.3 . 1 . . . . . 79 ILE CG2 . 52012 1 320 . 1 . 1 79 79 ILE CD1 C 13 13.8 0.3 . 1 . . . . . 79 ILE CD1 . 52012 1 321 . 1 . 1 79 79 ILE N N 15 117.3 0.3 . 1 . . . . . 79 ILE N . 52012 1 322 . 1 . 1 80 80 ILE C C 13 177.5 0.3 . 1 . . . . . 80 ILE C . 52012 1 323 . 1 . 1 80 80 ILE CA C 13 66.4 0.3 . 1 . . . . . 80 ILE CA . 52012 1 324 . 1 . 1 80 80 ILE CB C 13 37.0 0.3 . 1 . . . . . 80 ILE CB . 52012 1 325 . 1 . 1 80 80 ILE CG1 C 13 29.4 0.3 . 1 . . . . . 80 ILE CG1 . 52012 1 326 . 1 . 1 80 80 ILE CG2 C 13 17.8 0.3 . 1 . . . . . 80 ILE CG2 . 52012 1 327 . 1 . 1 80 80 ILE CD1 C 13 13.8 0.3 . 1 . . . . . 80 ILE CD1 . 52012 1 328 . 1 . 1 80 80 ILE N N 15 118.8 0.3 . 1 . . . . . 80 ILE N . 52012 1 329 . 1 . 1 81 81 ILE C C 13 176.9 0.3 . 1 . . . . . 81 ILE C . 52012 1 330 . 1 . 1 81 81 ILE CA C 13 63.3 0.3 . 1 . . . . . 81 ILE CA . 52012 1 331 . 1 . 1 81 81 ILE CB C 13 35.9 0.3 . 1 . . . . . 81 ILE CB . 52012 1 332 . 1 . 1 81 81 ILE CG1 C 13 28.7 0.3 . 1 . . . . . 81 ILE CG1 . 52012 1 333 . 1 . 1 81 81 ILE CG2 C 13 17.9 0.3 . 1 . . . . . 81 ILE CG2 . 52012 1 334 . 1 . 1 81 81 ILE CD1 C 13 11.8 0.3 . 1 . . . . . 81 ILE CD1 . 52012 1 335 . 1 . 1 81 81 ILE N N 15 119.3 0.3 . 1 . . . . . 81 ILE N . 52012 1 336 . 1 . 1 82 82 ALA C C 13 178.2 0.3 . 1 . . . . . 82 ALA C . 52012 1 337 . 1 . 1 82 82 ALA CA C 13 55.0 0.3 . 1 . . . . . 82 ALA CA . 52012 1 338 . 1 . 1 82 82 ALA CB C 13 17.5 0.3 . 1 . . . . . 82 ALA CB . 52012 1 339 . 1 . 1 82 82 ALA N N 15 121.7 0.3 . 1 . . . . . 82 ALA N . 52012 1 340 . 1 . 1 83 83 PHE C C 13 177.3 0.3 . 1 . . . . . 83 PHE C . 52012 1 341 . 1 . 1 83 83 PHE CA C 13 63.0 0.3 . 1 . . . . . 83 PHE CA . 52012 1 342 . 1 . 1 83 83 PHE CB C 13 39.4 0.3 . 1 . . . . . 83 PHE CB . 52012 1 343 . 1 . 1 83 83 PHE N N 15 119.5 0.3 . 1 . . . . . 83 PHE N . 52012 1 344 . 1 . 1 84 84 ALA C C 13 179.2 0.3 . 1 . . . . . 84 ALA C . 52012 1 345 . 1 . 1 84 84 ALA CA C 13 55.6 0.3 . 1 . . . . . 84 ALA CA . 52012 1 346 . 1 . 1 84 84 ALA CB C 13 17.9 0.3 . 1 . . . . . 84 ALA CB . 52012 1 347 . 1 . 1 84 84 ALA N N 15 119.4 0.3 . 1 . . . . . 84 ALA N . 52012 1 348 . 1 . 1 85 85 VAL C C 13 178.3 0.3 . 1 . . . . . 85 VAL C . 52012 1 349 . 1 . 1 85 85 VAL CA C 13 66.5 0.3 . 1 . . . . . 85 VAL CA . 52012 1 350 . 1 . 1 85 85 VAL CB C 13 31.4 0.3 . 1 . . . . . 85 VAL CB . 52012 1 351 . 1 . 1 85 85 VAL CG1 C 13 22.7 0.3 . 1 . . . . . 85 VAL CG1 . 52012 1 352 . 1 . 1 85 85 VAL CG2 C 13 22.0 0.3 . 1 . . . . . 85 VAL CG2 . 52012 1 353 . 1 . 1 85 85 VAL N N 15 114.7 0.3 . 1 . . . . . 85 VAL N . 52012 1 354 . 1 . 1 86 86 PHE C C 13 178.7 0.3 . 1 . . . . . 86 PHE C . 52012 1 355 . 1 . 1 86 86 PHE CA C 13 61.4 0.3 . 1 . . . . . 86 PHE CA . 52012 1 356 . 1 . 1 86 86 PHE CB C 13 38.7 0.3 . 1 . . . . . 86 PHE CB . 52012 1 357 . 1 . 1 86 86 PHE N N 15 120.3 0.3 . 1 . . . . . 86 PHE N . 52012 1 358 . 1 . 1 87 87 ILE C C 13 178.1 0.3 . 1 . . . . . 87 ILE C . 52012 1 359 . 1 . 1 87 87 ILE CA C 13 63.8 0.3 . 1 . . . . . 87 ILE CA . 52012 1 360 . 1 . 1 87 87 ILE CB C 13 37.1 0.3 . 1 . . . . . 87 ILE CB . 52012 1 361 . 1 . 1 87 87 ILE CG1 C 13 28.7 0.3 . 1 . . . . . 87 ILE CG1 . 52012 1 362 . 1 . 1 87 87 ILE CG2 C 13 17.9 0.3 . 1 . . . . . 87 ILE CG2 . 52012 1 363 . 1 . 1 87 87 ILE CD1 C 13 12.5 0.3 . 1 . . . . . 87 ILE CD1 . 52012 1 364 . 1 . 1 87 87 ILE N N 15 118.2 0.3 . 1 . . . . . 87 ILE N . 52012 1 365 . 1 . 1 88 88 ILE C C 13 177.3 0.3 . 1 . . . . . 88 ILE C . 52012 1 366 . 1 . 1 88 88 ILE CA C 13 65.2 0.3 . 1 . . . . . 88 ILE CA . 52012 1 367 . 1 . 1 88 88 ILE CB C 13 37.3 0.3 . 1 . . . . . 88 ILE CB . 52012 1 368 . 1 . 1 88 88 ILE CG1 C 13 29.8 0.3 . 1 . . . . . 88 ILE CG1 . 52012 1 369 . 1 . 1 88 88 ILE CG2 C 13 17.8 0.3 . 1 . . . . . 88 ILE CG2 . 52012 1 370 . 1 . 1 88 88 ILE CD1 C 13 13.2 0.3 . 1 . . . . . 88 ILE CD1 . 52012 1 371 . 1 . 1 88 88 ILE N N 15 120.6 0.3 . 1 . . . . . 88 ILE N . 52012 1 372 . 1 . 1 89 89 ALA C C 13 179.2 0.3 . 1 . . . . . 89 ALA C . 52012 1 373 . 1 . 1 89 89 ALA CA C 13 55.8 0.3 . 1 . . . . . 89 ALA CA . 52012 1 374 . 1 . 1 89 89 ALA CB C 13 19.4 0.3 . 1 . . . . . 89 ALA CB . 52012 1 375 . 1 . 1 89 89 ALA N N 15 123.6 0.3 . 1 . . . . . 89 ALA N . 52012 1 stop_ save_