data_27232 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27232 _Entry.Title ; 13C chemical shifts of solid-state NMR signals of subunit c-ring of TFoF1 ATP synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-24 _Entry.Accession_date 2017-08-24 _Entry.Last_release_date 2017-08-24 _Entry.Original_release_date 2017-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Experimentally derived chemical shift data' _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 Hideo Akutsu . . . . 27232 2 Sujin Kang . . . . 27232 3 Yasuto Todokoro . . . . 27232 4 Suyeon Bak . . . . 27232 5 Toshiharu Suzuki . . . . 27232 6 Masasuke Yoshida . . . . 27232 7 Toshimichi Fujiwara . . . . 27232 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Osaka University' . 27232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 27232 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 . . 2018-03-20 2017-08-24 update author 'update entry citation' 27232 1 . . 2017-08-28 2017-08-24 original author 'original release' 27232 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11550 'Chemical shifts of SAIL signals of subunit c-ring of thermophilic FoF1 ATP synthase' 27232 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27232 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29197977 _Citation.Full_citation . _Citation.Title ; Direct assignment of 13C solid-state NMR signals of TFoF1 ATP synthase subunit c-ring in lipid membranes and its implication for the ring structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 70 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 53 _Citation.Page_last 65 _Citation.Year 2018 _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 Su-Jin Kang S. J. . . 27232 1 2 Yasuto Todokoro Y. . . . 27232 1 3 Suyeon Bak S. . . . 27232 1 4 Toshiharu Suzuki T. . . . 27232 1 5 Masasuke Yoshida M. . . . 27232 1 6 Toshimichi Fujiwara T. . . . 27232 1 7 Hideo Akutsu H. . . . 27232 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CP/MAS NMR' 27232 1 'FoF1-ATP synthase' 27232 1 'lipid-protein interaction' 27232 1 'membrane protein' 27232 1 'secondary structure' 27232 1 'specific isotope labeling' 27232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27232 _Assembly.ID 1 _Assembly.Name 'subunit c ring of FoF1 ATP synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 73840 _Assembly.Enzyme_commission_number 'EC 3.6.3.14' _Assembly.Details 'subunit c-ring of FoF1 ATP synthase from thermophilic Bacillus PS3' _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 'ATP synthase subunit c' 1 $FoF1_ATP_synthase_subunit_c A . yes native no no . 'forming a decamer ring structure in membrane' '72 amino acid residues' 27232 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'proton trans location across the membrane' 27232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FoF1_ATP_synthase_subunit_c _Entity.Sf_category entity _Entity.Sf_framecode FoF1_ATP_synthase_subunit_c _Entity.Entry_ID 27232 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FoF1_ATP_synthase_subunit_c _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 ; MHLGVLAAAIAVGLGALGAG IGNGLIVSRTIEGIARQPEL RPVLQTTMFIGVALVEALPI IGVVFSFIYLGR ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation Ser2His _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7384 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'UniProt KB/Swiss Prot' P00845 . 'ATP synthase subunit c' . . . . . . . . . . . . . . 27232 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 . 27232 1 2 . HIS . 27232 1 3 . LEU . 27232 1 4 . GLY . 27232 1 5 . VAL . 27232 1 6 . LEU . 27232 1 7 . ALA . 27232 1 8 . ALA . 27232 1 9 . ALA . 27232 1 10 . ILE . 27232 1 11 . ALA . 27232 1 12 . VAL . 27232 1 13 . GLY . 27232 1 14 . LEU . 27232 1 15 . GLY . 27232 1 16 . ALA . 27232 1 17 . LEU . 27232 1 18 . GLY . 27232 1 19 . ALA . 27232 1 20 . GLY . 27232 1 21 . ILE . 27232 1 22 . GLY . 27232 1 23 . ASN . 27232 1 24 . GLY . 27232 1 25 . LEU . 27232 1 26 . ILE . 27232 1 27 . VAL . 27232 1 28 . SER . 27232 1 29 . ARG . 27232 1 30 . THR . 27232 1 31 . ILE . 27232 1 32 . GLU . 27232 1 33 . GLY . 27232 1 34 . ILE . 27232 1 35 . ALA . 27232 1 36 . ARG . 27232 1 37 . GLN . 27232 1 38 . PRO . 27232 1 39 . GLU . 27232 1 40 . LEU . 27232 1 41 . ARG . 27232 1 42 . PRO . 27232 1 43 . VAL . 27232 1 44 . LEU . 27232 1 45 . GLN . 27232 1 46 . THR . 27232 1 47 . THR . 27232 1 48 . MET . 27232 1 49 . PHE . 27232 1 50 . ILE . 27232 1 51 . GLY . 27232 1 52 . VAL . 27232 1 53 . ALA . 27232 1 54 . LEU . 27232 1 55 . VAL . 27232 1 56 . GLU . 27232 1 57 . ALA . 27232 1 58 . LEU . 27232 1 59 . PRO . 27232 1 60 . ILE . 27232 1 61 . ILE . 27232 1 62 . GLY . 27232 1 63 . VAL . 27232 1 64 . VAL . 27232 1 65 . PHE . 27232 1 66 . SER . 27232 1 67 . PHE . 27232 1 68 . ILE . 27232 1 69 . TYR . 27232 1 70 . LEU . 27232 1 71 . GLY . 27232 1 72 . ARG . 27232 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 27232 1 . HIS 2 2 27232 1 . LEU 3 3 27232 1 . GLY 4 4 27232 1 . VAL 5 5 27232 1 . LEU 6 6 27232 1 . ALA 7 7 27232 1 . ALA 8 8 27232 1 . ALA 9 9 27232 1 . ILE 10 10 27232 1 . ALA 11 11 27232 1 . VAL 12 12 27232 1 . GLY 13 13 27232 1 . LEU 14 14 27232 1 . GLY 15 15 27232 1 . ALA 16 16 27232 1 . LEU 17 17 27232 1 . GLY 18 18 27232 1 . ALA 19 19 27232 1 . GLY 20 20 27232 1 . ILE 21 21 27232 1 . GLY 22 22 27232 1 . ASN 23 23 27232 1 . GLY 24 24 27232 1 . LEU 25 25 27232 1 . ILE 26 26 27232 1 . VAL 27 27 27232 1 . SER 28 28 27232 1 . ARG 29 29 27232 1 . THR 30 30 27232 1 . ILE 31 31 27232 1 . GLU 32 32 27232 1 . GLY 33 33 27232 1 . ILE 34 34 27232 1 . ALA 35 35 27232 1 . ARG 36 36 27232 1 . GLN 37 37 27232 1 . PRO 38 38 27232 1 . GLU 39 39 27232 1 . LEU 40 40 27232 1 . ARG 41 41 27232 1 . PRO 42 42 27232 1 . VAL 43 43 27232 1 . LEU 44 44 27232 1 . GLN 45 45 27232 1 . THR 46 46 27232 1 . THR 47 47 27232 1 . MET 48 48 27232 1 . PHE 49 49 27232 1 . ILE 50 50 27232 1 . GLY 51 51 27232 1 . VAL 52 52 27232 1 . ALA 53 53 27232 1 . LEU 54 54 27232 1 . VAL 55 55 27232 1 . GLU 56 56 27232 1 . ALA 57 57 27232 1 . LEU 58 58 27232 1 . PRO 59 59 27232 1 . ILE 60 60 27232 1 . ILE 61 61 27232 1 . GLY 62 62 27232 1 . VAL 63 63 27232 1 . VAL 64 64 27232 1 . PHE 65 65 27232 1 . SER 66 66 27232 1 . PHE 67 67 27232 1 . ILE 68 68 27232 1 . TYR 69 69 27232 1 . LEU 70 70 27232 1 . GLY 71 71 27232 1 . ARG 72 72 27232 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27232 _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 $FoF1_ATP_synthase_subunit_c . 1386 organism . 'thermophilic Bacillus' 'thermophilic Bacillus' . . Bacteria . thermophilic Bacillus PS3 . . . . . . . . . . . . 27232 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27232 _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 $FoF1_ATP_synthase_subunit_c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pTR19-ASDS-cHis2R . . . 27232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rev1 _Sample.Sf_category sample _Sample.Sf_framecode Rev1 _Sample.Entry_ID 27232 _Sample.ID 1 _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'reverse-labeled(delete HRIVL)' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'DMPC-d54 or POPC-d31' _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 'FoF1 ATP synthase subunit c-ring' [U-13C] . . 1 $FoF1_ATP_synthase_subunit_c . . 3 . . mg . . . . 27232 1 stop_ save_ save_Rev2 _Sample.Sf_category sample _Sample.Sf_framecode Rev2 _Sample.Entry_ID 27232 _Sample.ID 2 _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'reverse-labeled(delete RIFTPMN)' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'DMPC-d54 or POPC-d31' _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 'FoF1 ATP synthase subunit c-ring' [U-13C] . . 1 $FoF1_ATP_synthase_subunit_c . . 3 . . mg . . . . 27232 2 stop_ save_ save_Rev3 _Sample.Sf_category sample _Sample.Sf_framecode Rev3 _Sample.Entry_ID 27232 _Sample.ID 3 _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'reverse-labeled(delete VLFP)' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'DMPC-d54 or POPC-d31' _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 'FoF1 ATP synthase subunit c-ring' [U-13C] . . 1 $FoF1_ATP_synthase_subunit_c . . 3 . . mg . . . . 27232 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 27232 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'In DMPC liposomes; In MAS rotors (3.2 mm).' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 27232 1 pH 7.5 . pH 27232 1 temperature 248 . K 27232 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27232 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard & Kneller (SPARKY)' . . 27232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27232 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27232 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version Felix2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Felix NMR Inc.' 'San Diego, CA' . 27232 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27232 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Infinity-plus 600' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27232 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Infinity-plus 700' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27232 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Infinity-plus 600' . 600 . . . 27232 1 2 spectrometer_2 Varian 'Infinity-plus 700' . 700 . . . 27232 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27232 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' no . . . . . . . . . . 1 $Rev1 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 2 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' no . . . . . . . . . . 2 $Rev2 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 3 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' no . . . . . . . . . . 3 $Rev3 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 4 '2D Cai+1-(C Ca)i correlation spectra' no . . . . . . . . . . 1 $Rev1 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 5 '2D Cai+1-(C Ca)i correlation spectra' no . . . . . . . . . . 2 $Rev2 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 6 '2D Cai+1-(C Ca)i correlation spectra' no . . . . . . . . . . 3 $Rev3 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 27232 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27232 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical 'magic angle' . . 27232 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27232 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' . . . 27232 1 2 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' . . . 27232 1 3 '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' . . . 27232 1 4 '2D Cai+1-(C Ca)i correlation spectra' . . . 27232 1 5 '2D Cai+1-(C Ca)i correlation spectra' . . . 27232 1 6 '2D Cai+1-(C Ca)i correlation spectra' . . . 27232 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 LEU C C 13 176.5 1 . 1 . . . . . 3 LEU C . 27232 1 2 . 1 1 3 3 LEU CA C 13 53.2 0.7 . 1 . . . . . 3 LEU CA . 27232 1 3 . 1 1 3 3 LEU CB C 13 41.3 1 . 1 . . . . . 3 LEU CB . 27232 1 4 . 1 1 3 3 LEU CG C 13 27 0.7 . 1 . . . . . 3 LEU CG . 27232 1 5 . 1 1 4 4 GLY C C 13 174.4 1 . 1 . . . . . 4 GLY C . 27232 1 6 . 1 1 4 4 GLY CA C 13 47 1 . 1 . . . . . 4 GLY CA . 27232 1 7 . 1 1 5 5 VAL C C 13 175 1.5 . 1 . . . . . 5 VAL C . 27232 1 8 . 1 1 5 5 VAL CA C 13 64 1 . 1 . . . . . 5 VAL CA . 27232 1 9 . 1 1 5 5 VAL CB C 13 30.4 0.8 . 1 . . . . . 5 VAL CB . 27232 1 10 . 1 1 5 5 VAL CG1 C 13 22.6 1 . 1 . . . . . 5 VAL CG1 . 27232 1 11 . 1 1 5 5 VAL CG2 C 13 20 1 . 1 . . . . . 5 VAL CG2 . 27232 1 12 . 1 1 6 6 LEU CA C 13 56.9 0.7 . 1 . . . . . 6 LEU CA . 27232 1 13 . 1 1 6 6 LEU CB C 13 42.4 0.7 . 1 . . . . . 6 LEU CB . 27232 1 14 . 1 1 6 6 LEU CG C 13 26.7 1 . 1 . . . . . 6 LEU CG . 27232 1 15 . 1 1 6 6 LEU CD1 C 13 23.1 1 . 2 . . . . . 6 LEU CD1 . 27232 1 16 . 1 1 6 6 LEU CD2 C 13 23.1 1 . 2 . . . . . 6 LEU CD2 . 27232 1 17 . 1 1 7 7 ALA C C 13 177.5 0.8 . 1 . . . . . 7 ALA C . 27232 1 18 . 1 1 7 7 ALA CA C 13 57.3 0.7 . 1 . . . . . 7 ALA CA . 27232 1 19 . 1 1 7 7 ALA CB C 13 18.6 0.7 . 1 . . . . . 7 ALA CB . 27232 1 20 . 1 1 8 8 ALA C C 13 180.2 0.5 . 1 . . . . . 8 ALA C . 27232 1 21 . 1 1 8 8 ALA CA C 13 55.1 0.5 . 1 . . . . . 8 ALA CA . 27232 1 22 . 1 1 8 8 ALA CB C 13 21.4 0.5 . 1 . . . . . 8 ALA CB . 27232 1 23 . 1 1 9 9 ALA C C 13 177.9 0.7 . 1 . . . . . 9 ALA C . 27232 1 24 . 1 1 9 9 ALA CA C 13 55 0.5 . 1 . . . . . 9 ALA CA . 27232 1 25 . 1 1 9 9 ALA CB C 13 19.5 0.5 . 1 . . . . . 9 ALA CB . 27232 1 26 . 1 1 10 10 ILE C C 13 177.3 0.8 . 1 . . . . . 10 ILE C . 27232 1 27 . 1 1 10 10 ILE CA C 13 65.5 0.5 . 1 . . . . . 10 ILE CA . 27232 1 28 . 1 1 10 10 ILE CB C 13 38.1 0.5 . 1 . . . . . 10 ILE CB . 27232 1 29 . 1 1 10 10 ILE CG1 C 13 30.5 0.5 . 1 . . . . . 10 ILE CG1 . 27232 1 30 . 1 1 10 10 ILE CG2 C 13 17.1 0.5 . 1 . . . . . 10 ILE CG2 . 27232 1 31 . 1 1 10 10 ILE CD1 C 13 14.5 0.5 . 1 . . . . . 10 ILE CD1 . 27232 1 32 . 1 1 11 11 ALA C C 13 180.4 0.5 . 1 . . . . . 11 ALA C . 27232 1 33 . 1 1 11 11 ALA CA C 13 56.1 0.5 . 1 . . . . . 11 ALA CA . 27232 1 34 . 1 1 11 11 ALA CB C 13 17.9 0.5 . 1 . . . . . 11 ALA CB . 27232 1 35 . 1 1 12 12 VAL C C 13 177.9 0.7 . 1 . . . . . 12 VAL C . 27232 1 36 . 1 1 12 12 VAL CA C 13 66.8 0.5 . 1 . . . . . 12 VAL CA . 27232 1 37 . 1 1 12 12 VAL CB C 13 32.2 0.5 . 1 . . . . . 12 VAL CB . 27232 1 38 . 1 1 12 12 VAL CG1 C 13 23.7 0.5 . 1 . . . . . 12 VAL CG1 . 27232 1 39 . 1 1 12 12 VAL CG2 C 13 20.6 0.5 . 1 . . . . . 12 VAL CG2 . 27232 1 40 . 1 1 13 13 GLY C C 13 175.9 0.5 . 1 . . . . . 13 GLY C . 27232 1 41 . 1 1 13 13 GLY CA C 13 47.7 0.5 . 1 . . . . . 13 GLY CA . 27232 1 42 . 1 1 14 14 LEU C C 13 177.9 0.7 . 1 . . . . . 14 LEU C . 27232 1 43 . 1 1 14 14 LEU CA C 13 58 0.5 . 1 . . . . . 14 LEU CA . 27232 1 44 . 1 1 14 14 LEU CB C 13 42.2 0.5 . 1 . . . . . 14 LEU CB . 27232 1 45 . 1 1 14 14 LEU CG C 13 26.6 0.5 . 1 . . . . . 14 LEU CG . 27232 1 46 . 1 1 14 14 LEU CD1 C 13 23.5 0.5 . 2 . . . . . 14 LEU CD1 . 27232 1 47 . 1 1 14 14 LEU CD2 C 13 23.5 0.5 . 2 . . . . . 14 LEU CD2 . 27232 1 48 . 1 1 15 15 GLY C C 13 175.2 0.5 . 1 . . . . . 15 GLY C . 27232 1 49 . 1 1 15 15 GLY CA C 13 48.5 0.5 . 1 . . . . . 15 GLY CA . 27232 1 50 . 1 1 16 16 ALA C C 13 178.8 0.5 . 1 . . . . . 16 ALA C . 27232 1 51 . 1 1 16 16 ALA CA C 13 53.4 0.5 . 1 . . . . . 16 ALA CA . 27232 1 52 . 1 1 16 16 ALA CB C 13 17.8 0.5 . 1 . . . . . 16 ALA CB . 27232 1 53 . 1 1 17 17 LEU C C 13 179.9 0.7 . 1 . . . . . 17 LEU C . 27232 1 54 . 1 1 17 17 LEU CA C 13 58.1 0.5 . 1 . . . . . 17 LEU CA . 27232 1 55 . 1 1 17 17 LEU CB C 13 40.5 0.5 . 1 . . . . . 17 LEU CB . 27232 1 56 . 1 1 17 17 LEU CG C 13 26 0.5 . 1 . . . . . 17 LEU CG . 27232 1 57 . 1 1 17 17 LEU CD1 C 13 22.7 0.5 . 2 . . . . . 17 LEU CD1 . 27232 1 58 . 1 1 17 17 LEU CD2 C 13 22.7 0.5 . 2 . . . . . 17 LEU CD2 . 27232 1 59 . 1 1 18 18 GLY C C 13 175.2 0.5 . 1 . . . . . 18 GLY C . 27232 1 60 . 1 1 18 18 GLY CA C 13 47.6 0.5 . 1 . . . . . 18 GLY CA . 27232 1 61 . 1 1 19 19 ALA C C 13 180.7 0.5 . 1 . . . . . 19 ALA C . 27232 1 62 . 1 1 19 19 ALA CA C 13 55.7 0.5 . 1 . . . . . 19 ALA CA . 27232 1 63 . 1 1 19 19 ALA CB C 13 17.8 0.5 . 1 . . . . . 19 ALA CB . 27232 1 64 . 1 1 20 20 GLY C C 13 176.1 0.5 . 1 . . . . . 20 GLY C . 27232 1 65 . 1 1 20 20 GLY CA C 13 47.7 0.5 . 1 . . . . . 20 GLY CA . 27232 1 66 . 1 1 21 21 ILE C C 13 177.8 0.5 . 1 . . . . . 21 ILE C . 27232 1 67 . 1 1 21 21 ILE CA C 13 66.4 0.5 . 1 . . . . . 21 ILE CA . 27232 1 68 . 1 1 21 21 ILE CB C 13 38.7 0.5 . 1 . . . . . 21 ILE CB . 27232 1 69 . 1 1 21 21 ILE CG1 C 13 30.6 0.5 . 1 . . . . . 21 ILE CG1 . 27232 1 70 . 1 1 22 22 GLY C C 13 175.5 0.5 . 1 . . . . . 22 GLY C . 27232 1 71 . 1 1 22 22 GLY CA C 13 49.3 0.5 . 1 . . . . . 22 GLY CA . 27232 1 72 . 1 1 23 23 ASN C C 13 178.2 0.5 . 1 . . . . . 23 ASN C . 27232 1 73 . 1 1 23 23 ASN CA C 13 55.4 0.5 . 1 . . . . . 23 ASN CA . 27232 1 74 . 1 1 23 23 ASN CB C 13 37.3 0.5 . 1 . . . . . 23 ASN CB . 27232 1 75 . 1 1 23 23 ASN CG C 13 170.7 0.5 . 1 . . . . . 23 ASN CG . 27232 1 76 . 1 1 24 24 GLY C C 13 176 0.5 . 1 . . . . . 24 GLY C . 27232 1 77 . 1 1 24 24 GLY CA C 13 47.6 0.5 . 1 . . . . . 24 GLY CA . 27232 1 78 . 1 1 25 25 LEU C C 13 178.8 0.7 . 1 . . . . . 25 LEU C . 27232 1 79 . 1 1 25 25 LEU CA C 13 58.6 0.5 . 1 . . . . . 25 LEU CA . 27232 1 80 . 1 1 25 25 LEU CB C 13 42.1 0.5 . 1 . . . . . 25 LEU CB . 27232 1 81 . 1 1 25 25 LEU CG C 13 26.4 0.5 . 1 . . . . . 25 LEU CG . 27232 1 82 . 1 1 25 25 LEU CD1 C 13 23.1 0.5 . 2 . . . . . 25 LEU CD1 . 27232 1 83 . 1 1 25 25 LEU CD2 C 13 23.1 0.5 . 2 . . . . . 25 LEU CD2 . 27232 1 84 . 1 1 26 26 ILE C C 13 177.9 0.7 . 1 . . . . . 26 ILE C . 27232 1 85 . 1 1 26 26 ILE CA C 13 65.8 0.5 . 1 . . . . . 26 ILE CA . 27232 1 86 . 1 1 26 26 ILE CB C 13 38.9 0.5 . 1 . . . . . 26 ILE CB . 27232 1 87 . 1 1 26 26 ILE CG1 C 13 28.6 0.5 . 1 . . . . . 26 ILE CG1 . 27232 1 88 . 1 1 26 26 ILE CG2 C 13 17.7 0.5 . 1 . . . . . 26 ILE CG2 . 27232 1 89 . 1 1 26 26 ILE CD1 C 13 14.5 0.5 . 1 . . . . . 26 ILE CD1 . 27232 1 90 . 1 1 27 27 VAL C C 13 178.3 0.5 . 1 . . . . . 27 VAL C . 27232 1 91 . 1 1 27 27 VAL CA C 13 66.2 0.5 . 1 . . . . . 27 VAL CA . 27232 1 92 . 1 1 27 27 VAL CB C 13 30.7 0.5 . 1 . . . . . 27 VAL CB . 27232 1 93 . 1 1 27 27 VAL CG1 C 13 21.5 0.5 . 1 . . . . . 27 VAL CG1 . 27232 1 94 . 1 1 27 27 VAL CG2 C 13 20.4 0.5 . 1 . . . . . 27 VAL CG2 . 27232 1 95 . 1 1 28 28 SER C C 13 175.6 0.5 . 1 . . . . . 28 SER C . 27232 1 96 . 1 1 28 28 SER CA C 13 63 0.5 . 1 . . . . . 28 SER CA . 27232 1 97 . 1 1 28 28 SER CB C 13 61.7 0.5 . 1 . . . . . 28 SER CB . 27232 1 98 . 1 1 29 29 ARG C C 13 177.6 0.7 . 1 . . . . . 29 ARG C . 27232 1 99 . 1 1 29 29 ARG CA C 13 59.2 0.7 . 1 . . . . . 29 ARG CA . 27232 1 100 . 1 1 29 29 ARG CB C 13 32 0.7 . 1 . . . . . 29 ARG CB . 27232 1 101 . 1 1 29 29 ARG CG C 13 28 0.7 . 1 . . . . . 29 ARG CG . 27232 1 102 . 1 1 29 29 ARG CD C 13 43.3 0.7 . 1 . . . . . 29 ARG CD . 27232 1 103 . 1 1 30 30 THR C C 13 175.2 0.5 . 1 . . . . . 30 THR C . 27232 1 104 . 1 1 30 30 THR CA C 13 67.7 0.5 . 1 . . . . . 30 THR CA . 27232 1 105 . 1 1 30 30 THR CB C 13 67.4 0.5 . 1 . . . . . 30 THR CB . 27232 1 106 . 1 1 30 30 THR CG2 C 13 20.7 0.5 . 1 . . . . . 30 THR CG2 . 27232 1 107 . 1 1 31 31 ILE C C 13 177.6 0.5 . 1 . . . . . 31 ILE C . 27232 1 108 . 1 1 31 31 ILE CA C 13 66.4 0.5 . 1 . . . . . 31 ILE CA . 27232 1 109 . 1 1 31 31 ILE CB C 13 38.6 0.5 . 1 . . . . . 31 ILE CB . 27232 1 110 . 1 1 31 31 ILE CG1 C 13 31.8 0.5 . 1 . . . . . 31 ILE CG1 . 27232 1 111 . 1 1 31 31 ILE CG2 C 13 17.6 0.5 . 1 . . . . . 31 ILE CG2 . 27232 1 112 . 1 1 31 31 ILE CD1 C 13 15.7 0.5 . 1 . . . . . 31 ILE CD1 . 27232 1 113 . 1 1 32 32 GLU C C 13 178.7 0.5 . 1 . . . . . 32 GLU C . 27232 1 114 . 1 1 32 32 GLU CA C 13 58.6 0.5 . 1 . . . . . 32 GLU CA . 27232 1 115 . 1 1 32 32 GLU CB C 13 30.4 0.5 . 1 . . . . . 32 GLU CB . 27232 1 116 . 1 1 32 32 GLU CG C 13 34.5 0.7 . 1 . . . . . 32 GLU CG . 27232 1 117 . 1 1 32 32 GLU CD C 13 183.1 0.5 . 1 . . . . . 32 GLU CD . 27232 1 118 . 1 1 33 33 GLY C C 13 175.4 0.5 . 1 . . . . . 33 GLY C . 27232 1 119 . 1 1 33 33 GLY CA C 13 47.2 0.5 . 1 . . . . . 33 GLY CA . 27232 1 120 . 1 1 34 34 ILE C C 13 177.4 0.5 . 1 . . . . . 34 ILE C . 27232 1 121 . 1 1 34 34 ILE CA C 13 65.1 0.5 . 1 . . . . . 34 ILE CA . 27232 1 122 . 1 1 34 34 ILE CB C 13 37.9 0.5 . 1 . . . . . 34 ILE CB . 27232 1 123 . 1 1 34 34 ILE CG1 C 13 30.3 0.5 . 1 . . . . . 34 ILE CG1 . 27232 1 124 . 1 1 35 35 ALA C C 13 178.4 0.5 . 1 . . . . . 35 ALA C . 27232 1 125 . 1 1 35 35 ALA CA C 13 55.3 0.5 . 1 . . . . . 35 ALA CA . 27232 1 126 . 1 1 35 35 ALA CB C 13 18.2 0.5 . 1 . . . . . 35 ALA CB . 27232 1 127 . 1 1 36 36 ARG CA C 13 57.5 0.5 . 1 . . . . . 36 ARG CA . 27232 1 128 . 1 1 36 36 ARG CB C 13 30.2 0.5 . 1 . . . . . 36 ARG CB . 27232 1 129 . 1 1 36 36 ARG CG C 13 26.4 0.5 . 1 . . . . . 36 ARG CG . 27232 1 130 . 1 1 36 36 ARG CD C 13 42.8 0.7 . 1 . . . . . 36 ARG CD . 27232 1 131 . 1 1 37 37 GLN C C 13 172.7 0.5 . 1 . . . . . 37 GLN C . 27232 1 132 . 1 1 37 37 GLN CA C 13 52.3 0.5 . 1 . . . . . 37 GLN CA . 27232 1 133 . 1 1 37 37 GLN CB C 13 29.6 0.5 . 1 . . . . . 37 GLN CB . 27232 1 134 . 1 1 37 37 GLN CG C 13 33.1 0.5 . 1 . . . . . 37 GLN CG . 27232 1 135 . 1 1 37 37 GLN CD C 13 180.9 0.5 . 1 . . . . . 37 GLN CD . 27232 1 136 . 1 1 38 38 PRO C C 13 177.2 1 . 1 . . . . . 38 PRO C . 27232 1 137 . 1 1 38 38 PRO CA C 13 64.2 1 . 1 . . . . . 38 PRO CA . 27232 1 138 . 1 1 38 38 PRO CB C 13 32.2 1 . 1 . . . . . 38 PRO CB . 27232 1 139 . 1 1 38 38 PRO CG C 13 27.9 1 . 1 . . . . . 38 PRO CG . 27232 1 140 . 1 1 38 38 PRO CD C 13 50 1 . 1 . . . . . 38 PRO CD . 27232 1 141 . 1 1 39 39 GLU C C 13 177.8 0.5 . 1 . . . . . 39 GLU C . 27232 1 142 . 1 1 39 39 GLU CA C 13 57.8 0.5 . 1 . . . . . 39 GLU CA . 27232 1 143 . 1 1 39 39 GLU CB C 13 31.4 0.5 . 1 . . . . . 39 GLU CB . 27232 1 144 . 1 1 39 39 GLU CG C 13 35.8 0.7 . 1 . . . . . 39 GLU CG . 27232 1 145 . 1 1 39 39 GLU CD C 13 182.6 0.7 . 1 . . . . . 39 GLU CD . 27232 1 146 . 1 1 40 40 LEU C C 13 176.8 0.8 . 1 . . . . . 40 LEU C . 27232 1 147 . 1 1 40 40 LEU CA C 13 59 1 . 1 . . . . . 40 LEU CA . 27232 1 148 . 1 1 40 40 LEU CB C 13 39.1 0.8 . 1 . . . . . 40 LEU CB . 27232 1 149 . 1 1 40 40 LEU CG C 13 28.5 0.7 . 1 . . . . . 40 LEU CG . 27232 1 150 . 1 1 40 40 LEU CD1 C 13 25 0.7 . 2 . . . . . 40 LEU CD1 . 27232 1 151 . 1 1 40 40 LEU CD2 C 13 25 0.7 . 2 . . . . . 40 LEU CD2 . 27232 1 152 . 1 1 41 41 ARG C C 13 177.9 0.5 . 1 . . . . . 41 ARG C . 27232 1 153 . 1 1 41 41 ARG CA C 13 58.4 0.5 . 1 . . . . . 41 ARG CA . 27232 1 154 . 1 1 41 41 ARG CB C 13 29.4 0.5 . 1 . . . . . 41 ARG CB . 27232 1 155 . 1 1 41 41 ARG CG C 13 26.7 0.5 . 1 . . . . . 41 ARG CG . 27232 1 156 . 1 1 41 41 ARG CD C 13 42.1 0.7 . 1 . . . . . 41 ARG CD . 27232 1 157 . 1 1 42 42 PRO C C 13 180.4 0.5 . 1 . . . . . 42 PRO C . 27232 1 158 . 1 1 42 42 PRO CA C 13 65.9 0.5 . 1 . . . . . 42 PRO CA . 27232 1 159 . 1 1 42 42 PRO CB C 13 31 0.5 . 1 . . . . . 42 PRO CB . 27232 1 160 . 1 1 42 42 PRO CG C 13 28.3 0.5 . 1 . . . . . 42 PRO CG . 27232 1 161 . 1 1 42 42 PRO CD C 13 49.6 0.5 . 1 . . . . . 42 PRO CD . 27232 1 162 . 1 1 43 43 VAL C C 13 177.9 0.7 . 1 . . . . . 43 VAL C . 27232 1 163 . 1 1 43 43 VAL CA C 13 65.3 0.5 . 1 . . . . . 43 VAL CA . 27232 1 164 . 1 1 43 43 VAL CB C 13 31.2 0.5 . 1 . . . . . 43 VAL CB . 27232 1 165 . 1 1 43 43 VAL CG1 C 13 21.4 0.5 . 2 . . . . . 43 VAL CG1 . 27232 1 166 . 1 1 43 43 VAL CG2 C 13 21.4 0.5 . 2 . . . . . 43 VAL CG2 . 27232 1 167 . 1 1 44 44 LEU C C 13 177.6 0.8 . 1 . . . . . 44 LEU C . 27232 1 168 . 1 1 44 44 LEU CA C 13 57.8 0.5 . 1 . . . . . 44 LEU CA . 27232 1 169 . 1 1 44 44 LEU CB C 13 41.2 0.5 . 1 . . . . . 44 LEU CB . 27232 1 170 . 1 1 44 44 LEU CG C 13 26.1 0.5 . 1 . . . . . 44 LEU CG . 27232 1 171 . 1 1 44 44 LEU CD1 C 13 23 0.5 . 2 . . . . . 44 LEU CD1 . 27232 1 172 . 1 1 44 44 LEU CD2 C 13 23 0.5 . 2 . . . . . 44 LEU CD2 . 27232 1 173 . 1 1 45 45 GLN C C 13 177.4 0.5 . 1 . . . . . 45 GLN C . 27232 1 174 . 1 1 45 45 GLN CA C 13 58.8 0.5 . 1 . . . . . 45 GLN CA . 27232 1 175 . 1 1 45 45 GLN CB C 13 30.7 0.5 . 1 . . . . . 45 GLN CB . 27232 1 176 . 1 1 45 45 GLN CG C 13 32.2 0.5 . 1 . . . . . 45 GLN CG . 27232 1 177 . 1 1 46 46 THR C C 13 175.7 0.5 . 1 . . . . . 46 THR C . 27232 1 178 . 1 1 46 46 THR CA C 13 68 0.7 . 1 . . . . . 46 THR CA . 27232 1 179 . 1 1 46 46 THR CB C 13 68.5 0.7 . 1 . . . . . 46 THR CB . 27232 1 180 . 1 1 46 46 THR CG2 C 13 22.5 0.5 . 1 . . . . . 46 THR CG2 . 27232 1 181 . 1 1 47 47 THR C C 13 175.3 0.5 . 1 . . . . . 47 THR C . 27232 1 182 . 1 1 47 47 THR CA C 13 68.1 0.7 . 1 . . . . . 47 THR CA . 27232 1 183 . 1 1 47 47 THR CB C 13 68.3 0.7 . 1 . . . . . 47 THR CB . 27232 1 184 . 1 1 47 47 THR CG2 C 13 22.1 0.5 . 1 . . . . . 47 THR CG2 . 27232 1 185 . 1 1 48 48 MET C C 13 177.7 0.7 . 1 . . . . . 48 MET C . 27232 1 186 . 1 1 48 48 MET CA C 13 59.4 0.5 . 1 . . . . . 48 MET CA . 27232 1 187 . 1 1 48 48 MET CB C 13 32.3 0.5 . 1 . . . . . 48 MET CB . 27232 1 188 . 1 1 48 48 MET CG C 13 31.4 0.5 . 1 . . . . . 48 MET CG . 27232 1 189 . 1 1 49 49 PHE C C 13 177.3 0.7 . 1 . . . . . 49 PHE C . 27232 1 190 . 1 1 49 49 PHE CA C 13 62.3 0.5 . 1 . . . . . 49 PHE CA . 27232 1 191 . 1 1 49 49 PHE CB C 13 39.2 0.5 . 1 . . . . . 49 PHE CB . 27232 1 192 . 1 1 49 49 PHE CG C 13 134.8 1 . 1 . . . . . 49 PHE CG . 27232 1 193 . 1 1 49 49 PHE CD1 C 13 132.5 1 . 3 . . . . . 49 PHE CD1 . 27232 1 194 . 1 1 49 49 PHE CE1 C 13 131 1 . 3 . . . . . 49 PHE CE1 . 27232 1 195 . 1 1 49 49 PHE CZ C 13 129 1 . 1 . . . . . 49 PHE CZ . 27232 1 196 . 1 1 50 50 ILE C C 13 177.8 0.7 . 1 . . . . . 50 ILE C . 27232 1 197 . 1 1 50 50 ILE CA C 13 66 0.5 . 1 . . . . . 50 ILE CA . 27232 1 198 . 1 1 50 50 ILE CB C 13 39 0.5 . 1 . . . . . 50 ILE CB . 27232 1 199 . 1 1 50 50 ILE CG1 C 13 28.6 0.5 . 1 . . . . . 50 ILE CG1 . 27232 1 200 . 1 1 50 50 ILE CG2 C 13 18.1 0.5 . 1 . . . . . 50 ILE CG2 . 27232 1 201 . 1 1 50 50 ILE CD1 C 13 14.5 0.5 . 1 . . . . . 50 ILE CD1 . 27232 1 202 . 1 1 51 51 GLY C C 13 174.9 0.5 . 1 . . . . . 51 GLY C . 27232 1 203 . 1 1 51 51 GLY CA C 13 49.5 0.5 . 1 . . . . . 51 GLY CA . 27232 1 204 . 1 1 52 52 VAL C C 13 178.1 0.7 . 1 . . . . . 52 VAL C . 27232 1 205 . 1 1 52 52 VAL CA C 13 65.5 0.5 . 1 . . . . . 52 VAL CA . 27232 1 206 . 1 1 52 52 VAL CB C 13 31.7 0.5 . 1 . . . . . 52 VAL CB . 27232 1 207 . 1 1 52 52 VAL CG1 C 13 21.4 0.5 . 2 . . . . . 52 VAL CG1 . 27232 1 208 . 1 1 52 52 VAL CG2 C 13 21.4 0.5 . 2 . . . . . 52 VAL CG2 . 27232 1 209 . 1 1 53 53 ALA C C 13 177.8 0.8 . 1 . . . . . 53 ALA C . 27232 1 210 . 1 1 53 53 ALA CA C 13 56.1 0.5 . 1 . . . . . 53 ALA CA . 27232 1 211 . 1 1 53 53 ALA CB C 13 18 0.5 . 1 . . . . . 53 ALA CB . 27232 1 212 . 1 1 54 54 LEU C C 13 179.8 0.7 . 1 . . . . . 54 LEU C . 27232 1 213 . 1 1 54 54 LEU CA C 13 57.8 0.5 . 1 . . . . . 54 LEU CA . 27232 1 214 . 1 1 54 54 LEU CB C 13 41.1 0.5 . 1 . . . . . 54 LEU CB . 27232 1 215 . 1 1 54 54 LEU CG C 13 26.1 0.5 . 1 . . . . . 54 LEU CG . 27232 1 216 . 1 1 54 54 LEU CD1 C 13 23.1 0.5 . 2 . . . . . 54 LEU CD1 . 27232 1 217 . 1 1 54 54 LEU CD2 C 13 23.1 0.5 . 2 . . . . . 54 LEU CD2 . 27232 1 218 . 1 1 55 55 VAL C C 13 177.7 0.7 . 1 . . . . . 55 VAL C . 27232 1 219 . 1 1 55 55 VAL CA C 13 67.1 0.5 . 1 . . . . . 55 VAL CA . 27232 1 220 . 1 1 55 55 VAL CB C 13 31.9 0.5 . 1 . . . . . 55 VAL CB . 27232 1 221 . 1 1 55 55 VAL CG1 C 13 25.6 0.5 . 1 . . . . . 55 VAL CG1 . 27232 1 222 . 1 1 55 55 VAL CG2 C 13 23.6 0.5 . 1 . . . . . 55 VAL CG2 . 27232 1 223 . 1 1 56 56 GLU C C 13 177.4 0.5 . 1 . . . . . 56 GLU C . 27232 1 224 . 1 1 56 56 GLU CA C 13 57.6 0.5 . 1 . . . . . 56 GLU CA . 27232 1 225 . 1 1 56 56 GLU CB C 13 27.9 0.5 . 1 . . . . . 56 GLU CB . 27232 1 226 . 1 1 56 56 GLU CG C 13 31.3 0.8 . 1 . . . . . 56 GLU CG . 27232 1 227 . 1 1 56 56 GLU CD C 13 174.5 0.5 . 1 . . . . . 56 GLU CD . 27232 1 228 . 1 1 57 57 ALA C C 13 178.5 0.7 . 1 . . . . . 57 ALA C . 27232 1 229 . 1 1 57 57 ALA CA C 13 53.8 0.5 . 1 . . . . . 57 ALA CA . 27232 1 230 . 1 1 57 57 ALA CB C 13 17.8 0.5 . 1 . . . . . 57 ALA CB . 27232 1 231 . 1 1 58 58 LEU C C 13 177.9 0.7 . 1 . . . . . 58 LEU C . 27232 1 232 . 1 1 58 58 LEU CA C 13 58.1 0.5 . 1 . . . . . 58 LEU CA . 27232 1 233 . 1 1 58 58 LEU CB C 13 42.1 0.5 . 1 . . . . . 58 LEU CB . 27232 1 234 . 1 1 58 58 LEU CG C 13 26.7 0.5 . 1 . . . . . 58 LEU CG . 27232 1 235 . 1 1 59 59 PRO C C 13 178.3 0.5 . 1 . . . . . 59 PRO C . 27232 1 236 . 1 1 59 59 PRO CA C 13 66.6 0.5 . 1 . . . . . 59 PRO CA . 27232 1 237 . 1 1 59 59 PRO CB C 13 31.3 0.5 . 1 . . . . . 59 PRO CB . 27232 1 238 . 1 1 59 59 PRO CG C 13 28.6 0.5 . 1 . . . . . 59 PRO CG . 27232 1 239 . 1 1 59 59 PRO CD C 13 49.6 0.5 . 1 . . . . . 59 PRO CD . 27232 1 240 . 1 1 60 60 ILE C C 13 177.7 0.5 . 1 . . . . . 60 ILE C . 27232 1 241 . 1 1 60 60 ILE CA C 13 65.3 0.5 . 1 . . . . . 60 ILE CA . 27232 1 242 . 1 1 60 60 ILE CB C 13 38.1 0.5 . 1 . . . . . 60 ILE CB . 27232 1 243 . 1 1 60 60 ILE CG1 C 13 30.1 0.5 . 1 . . . . . 60 ILE CG1 . 27232 1 244 . 1 1 61 61 ILE C C 13 178.9 0.5 . 1 . . . . . 61 ILE C . 27232 1 245 . 1 1 61 61 ILE CA C 13 66.5 0.5 . 1 . . . . . 61 ILE CA . 27232 1 246 . 1 1 61 61 ILE CB C 13 39 0.5 . 1 . . . . . 61 ILE CB . 27232 1 247 . 1 1 61 61 ILE CG1 C 13 30.9 0.5 . 1 . . . . . 61 ILE CG1 . 27232 1 248 . 1 1 61 61 ILE CG2 C 13 18.2 0.5 . 1 . . . . . 61 ILE CG2 . 27232 1 249 . 1 1 61 61 ILE CD1 C 13 15 0.5 . 1 . . . . . 61 ILE CD1 . 27232 1 250 . 1 1 62 62 GLY C C 13 175.7 0.5 . 1 . . . . . 62 GLY C . 27232 1 251 . 1 1 62 62 GLY CA C 13 47.4 0.5 . 1 . . . . . 62 GLY CA . 27232 1 252 . 1 1 63 63 VAL C C 13 179.4 0.7 . 1 . . . . . 63 VAL C . 27232 1 253 . 1 1 63 63 VAL CA C 13 66.5 0.5 . 1 . . . . . 63 VAL CA . 27232 1 254 . 1 1 63 63 VAL CB C 13 30.8 0.5 . 1 . . . . . 63 VAL CB . 27232 1 255 . 1 1 63 63 VAL CG1 C 13 23.6 0.5 . 1 . . . . . 63 VAL CG1 . 27232 1 256 . 1 1 63 63 VAL CG2 C 13 21.6 0.5 . 1 . . . . . 63 VAL CG2 . 27232 1 257 . 1 1 64 64 VAL C C 13 177.8 0.7 . 1 . . . . . 64 VAL C . 27232 1 258 . 1 1 64 64 VAL CA C 13 67.5 0.5 . 1 . . . . . 64 VAL CA . 27232 1 259 . 1 1 64 64 VAL CB C 13 30.9 0.5 . 1 . . . . . 64 VAL CB . 27232 1 260 . 1 1 64 64 VAL CG1 C 13 23.5 0.5 . 1 . . . . . 64 VAL CG1 . 27232 1 261 . 1 1 64 64 VAL CG2 C 13 22.2 0.5 . 1 . . . . . 64 VAL CG2 . 27232 1 262 . 1 1 65 65 PHE CA C 13 63 0.5 . 1 . . . . . 65 PHE CA . 27232 1 263 . 1 1 65 65 PHE CB C 13 39.3 0.5 . 1 . . . . . 65 PHE CB . 27232 1 264 . 1 1 66 66 SER C C 13 174.5 0.5 . 1 . . . . . 66 SER C . 27232 1 265 . 1 1 66 66 SER CA C 13 62.4 0.5 . 1 . . . . . 66 SER CA . 27232 1 266 . 1 1 66 66 SER CB C 13 61.6 0.5 . 1 . . . . . 66 SER CB . 27232 1 267 . 1 1 67 67 PHE CA C 13 63 0.5 . 1 . . . . . 67 PHE CA . 27232 1 268 . 1 1 67 67 PHE CB C 13 39.3 0.5 . 1 . . . . . 67 PHE CB . 27232 1 269 . 1 1 68 68 ILE C C 13 177.6 0.5 . 1 . . . . . 68 ILE C . 27232 1 270 . 1 1 68 68 ILE CA C 13 66.4 1 . 1 . . . . . 68 ILE CA . 27232 1 271 . 1 1 68 68 ILE CB C 13 37.2 1 . 1 . . . . . 68 ILE CB . 27232 1 272 . 1 1 68 68 ILE CG1 C 13 30.3 0.8 . 1 . . . . . 68 ILE CG1 . 27232 1 273 . 1 1 68 68 ILE CG2 C 13 17.2 0.8 . 1 . . . . . 68 ILE CG2 . 27232 1 274 . 1 1 68 68 ILE CD1 C 13 13.6 0.8 . 1 . . . . . 68 ILE CD1 . 27232 1 275 . 1 1 69 69 TYR C C 13 178 0.5 . 1 . . . . . 69 TYR C . 27232 1 276 . 1 1 69 69 TYR CA C 13 58.5 0.5 . 1 . . . . . 69 TYR CA . 27232 1 277 . 1 1 69 69 TYR CB C 13 43.4 0.5 . 1 . . . . . 69 TYR CB . 27232 1 278 . 1 1 69 69 TYR CG C 13 129.7 0.8 . 1 . . . . . 69 TYR CG . 27232 1 279 . 1 1 69 69 TYR CD1 C 13 132.8 0.8 . 3 . . . . . 69 TYR CD1 . 27232 1 280 . 1 1 69 69 TYR CE1 C 13 117 0.8 . 3 . . . . . 69 TYR CE1 . 27232 1 281 . 1 1 69 69 TYR CZ C 13 158.8 0.7 . 1 . . . . . 69 TYR CZ . 27232 1 282 . 1 1 70 70 LEU C C 13 180 0.7 . 1 . . . . . 70 LEU C . 27232 1 283 . 1 1 70 70 LEU CA C 13 57.9 0.5 . 1 . . . . . 70 LEU CA . 27232 1 284 . 1 1 70 70 LEU CB C 13 40.3 0.5 . 1 . . . . . 70 LEU CB . 27232 1 285 . 1 1 70 70 LEU CG C 13 26.8 0.5 . 1 . . . . . 70 LEU CG . 27232 1 286 . 1 1 70 70 LEU CD1 C 13 23.1 0.5 . 2 . . . . . 70 LEU CD1 . 27232 1 287 . 1 1 70 70 LEU CD2 C 13 23.1 0.5 . 2 . . . . . 70 LEU CD2 . 27232 1 288 . 1 1 71 71 GLY C C 13 175.9 0.7 . 1 . . . . . 71 GLY C . 27232 1 289 . 1 1 71 71 GLY CA C 13 47.8 0.5 . 1 . . . . . 71 GLY CA . 27232 1 290 . 1 1 72 72 ARG C C 13 172.6 0.7 . 1 . . . . . 72 ARG C . 27232 1 291 . 1 1 72 72 ARG CA C 13 62.4 0.7 . 1 . . . . . 72 ARG CA . 27232 1 292 . 1 1 72 72 ARG CB C 13 28 0.7 . 1 . . . . . 72 ARG CB . 27232 1 293 . 1 1 72 72 ARG CG C 13 26.8 0.7 . 1 . . . . . 72 ARG CG . 27232 1 294 . 1 1 72 72 ARG CD C 13 43.5 0.7 . 1 . . . . . 72 ARG CD . 27232 1 stop_ save_