data_51646 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51646 _Entry.Title ; NaK d18 F92A ILV shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-29 _Entry.Accession_date 2022-09-29 _Entry.Last_release_date 2022-09-30 _Entry.Original_release_date 2022-09-30 _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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Vilius kurauskas . . . . 51646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 50 51646 '15N chemical shifts' 49 51646 '1H chemical shifts' 199 51646 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-11-21 . original BMRB . 51646 stop_ loop_ _BMRbig_link.BMRbig_ID _BMRbig_link.Entry_ID bmrbig74 51646 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51644 'ILV chemical shifts of NaK2K d18' 51646 BMRB 51645 'Full-length NaK ILV chemical shifts' 51646 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51646 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36326620 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Full opening of helix bundle does not lead to NaK channel activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Gen. Physiol.' _Citation.Journal_name_full 'The Journal of general physiology' _Citation.Journal_volume 154 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1540-7748 _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 e202213196 _Citation.Page_last e202213196 _Citation.Year 2022 _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 Vilius Kurauskas V. . . . 51646 1 2 Marco Tonelli M. . . . 51646 1 3 Katherine Henzler-Wildman K. . . . 51646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51646 _Assembly.ID 1 _Assembly.Name 'NaKd18 F92A tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 44764.5588 _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 'NaKd18 F92A, 1' 1 $entity_1 . . yes native no no . . . 51646 1 2 'NaKd18 F92A, 2' 1 $entity_1 . . no native no no . . . 51646 1 3 'NaKd18 F92A, 3' 1 $entity_1 . . no native no no . . . 51646 1 4 'NaKd18 F92A, 4' 1 $entity_1 . . no native no no . . . 51646 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ion channel' 51646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51646 _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 ; GSHMWKDKEFQVLFVLTILT LISGTIFYSTVEGLRPIDAL YFSVVTLTTVGDGNFSPQTD FGKIFTILYIFIGIGLVAGF IHKLAVNVQLPSILSNRKKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 15 GLY 16 SER 17 HIS ...... 112 LYS 113 LYS 114 GLU ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ion channel' 51646 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 15 GLY . 51646 1 2 16 SER . 51646 1 3 17 HIS . 51646 1 4 18 MET . 51646 1 5 19 TRP . 51646 1 6 20 LYS . 51646 1 7 21 ASP . 51646 1 8 22 LYS . 51646 1 9 23 GLU . 51646 1 10 24 PHE . 51646 1 11 25 GLN . 51646 1 12 26 VAL . 51646 1 13 27 LEU . 51646 1 14 28 PHE . 51646 1 15 29 VAL . 51646 1 16 30 LEU . 51646 1 17 31 THR . 51646 1 18 32 ILE . 51646 1 19 33 LEU . 51646 1 20 34 THR . 51646 1 21 35 LEU . 51646 1 22 36 ILE . 51646 1 23 37 SER . 51646 1 24 38 GLY . 51646 1 25 39 THR . 51646 1 26 40 ILE . 51646 1 27 41 PHE . 51646 1 28 42 TYR . 51646 1 29 43 SER . 51646 1 30 44 THR . 51646 1 31 45 VAL . 51646 1 32 46 GLU . 51646 1 33 47 GLY . 51646 1 34 48 LEU . 51646 1 35 49 ARG . 51646 1 36 50 PRO . 51646 1 37 51 ILE . 51646 1 38 52 ASP . 51646 1 39 53 ALA . 51646 1 40 54 LEU . 51646 1 41 55 TYR . 51646 1 42 56 PHE . 51646 1 43 57 SER . 51646 1 44 58 VAL . 51646 1 45 59 VAL . 51646 1 46 60 THR . 51646 1 47 61 LEU . 51646 1 48 62 THR . 51646 1 49 63 THR . 51646 1 50 64 VAL . 51646 1 51 65 GLY . 51646 1 52 66 ASP . 51646 1 53 67 GLY . 51646 1 54 68 ASN . 51646 1 55 69 PHE . 51646 1 56 70 SER . 51646 1 57 71 PRO . 51646 1 58 72 GLN . 51646 1 59 73 THR . 51646 1 60 74 ASP . 51646 1 61 75 PHE . 51646 1 62 76 GLY . 51646 1 63 77 LYS . 51646 1 64 78 ILE . 51646 1 65 79 PHE . 51646 1 66 80 THR . 51646 1 67 81 ILE . 51646 1 68 82 LEU . 51646 1 69 83 TYR . 51646 1 70 84 ILE . 51646 1 71 85 PHE . 51646 1 72 86 ILE . 51646 1 73 87 GLY . 51646 1 74 88 ILE . 51646 1 75 89 GLY . 51646 1 76 90 LEU . 51646 1 77 91 VAL . 51646 1 78 92 ALA . 51646 1 79 93 GLY . 51646 1 80 94 PHE . 51646 1 81 95 ILE . 51646 1 82 96 HIS . 51646 1 83 97 LYS . 51646 1 84 98 LEU . 51646 1 85 99 ALA . 51646 1 86 100 VAL . 51646 1 87 101 ASN . 51646 1 88 102 VAL . 51646 1 89 103 GLN . 51646 1 90 104 LEU . 51646 1 91 105 PRO . 51646 1 92 106 SER . 51646 1 93 107 ILE . 51646 1 94 108 LEU . 51646 1 95 109 SER . 51646 1 96 110 ASN . 51646 1 97 111 ARG . 51646 1 98 112 LYS . 51646 1 99 113 LYS . 51646 1 100 114 GLU . 51646 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51646 1 . SER 2 2 51646 1 . HIS 3 3 51646 1 . MET 4 4 51646 1 . TRP 5 5 51646 1 . LYS 6 6 51646 1 . ASP 7 7 51646 1 . LYS 8 8 51646 1 . GLU 9 9 51646 1 . PHE 10 10 51646 1 . GLN 11 11 51646 1 . VAL 12 12 51646 1 . LEU 13 13 51646 1 . PHE 14 14 51646 1 . VAL 15 15 51646 1 . LEU 16 16 51646 1 . THR 17 17 51646 1 . ILE 18 18 51646 1 . LEU 19 19 51646 1 . THR 20 20 51646 1 . LEU 21 21 51646 1 . ILE 22 22 51646 1 . SER 23 23 51646 1 . GLY 24 24 51646 1 . THR 25 25 51646 1 . ILE 26 26 51646 1 . PHE 27 27 51646 1 . TYR 28 28 51646 1 . SER 29 29 51646 1 . THR 30 30 51646 1 . VAL 31 31 51646 1 . GLU 32 32 51646 1 . GLY 33 33 51646 1 . LEU 34 34 51646 1 . ARG 35 35 51646 1 . PRO 36 36 51646 1 . ILE 37 37 51646 1 . ASP 38 38 51646 1 . ALA 39 39 51646 1 . LEU 40 40 51646 1 . TYR 41 41 51646 1 . PHE 42 42 51646 1 . SER 43 43 51646 1 . VAL 44 44 51646 1 . VAL 45 45 51646 1 . THR 46 46 51646 1 . LEU 47 47 51646 1 . THR 48 48 51646 1 . THR 49 49 51646 1 . VAL 50 50 51646 1 . GLY 51 51 51646 1 . ASP 52 52 51646 1 . GLY 53 53 51646 1 . ASN 54 54 51646 1 . PHE 55 55 51646 1 . SER 56 56 51646 1 . PRO 57 57 51646 1 . GLN 58 58 51646 1 . THR 59 59 51646 1 . ASP 60 60 51646 1 . PHE 61 61 51646 1 . GLY 62 62 51646 1 . LYS 63 63 51646 1 . ILE 64 64 51646 1 . PHE 65 65 51646 1 . THR 66 66 51646 1 . ILE 67 67 51646 1 . LEU 68 68 51646 1 . TYR 69 69 51646 1 . ILE 70 70 51646 1 . PHE 71 71 51646 1 . ILE 72 72 51646 1 . GLY 73 73 51646 1 . ILE 74 74 51646 1 . GLY 75 75 51646 1 . LEU 76 76 51646 1 . VAL 77 77 51646 1 . ALA 78 78 51646 1 . GLY 79 79 51646 1 . PHE 80 80 51646 1 . ILE 81 81 51646 1 . HIS 82 82 51646 1 . LYS 83 83 51646 1 . LEU 84 84 51646 1 . ALA 85 85 51646 1 . VAL 86 86 51646 1 . ASN 87 87 51646 1 . VAL 88 88 51646 1 . GLN 89 89 51646 1 . LEU 90 90 51646 1 . PRO 91 91 51646 1 . SER 92 92 51646 1 . ILE 93 93 51646 1 . LEU 94 94 51646 1 . SER 95 95 51646 1 . ASN 96 96 51646 1 . ARG 97 97 51646 1 . LYS 98 98 51646 1 . LYS 99 99 51646 1 . GLU 100 100 51646 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 51646 _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 . 1396 organism . 'Bacillus cereus' 'Bacillus cereus' . . Bacteria . Bacillus cereus . . . . . . . . . . . . . 51646 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 51646 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15b . . . 51646 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51646 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NaKd18 F92A tetramer' '[U-15N; U-2H, ILV 13C, 1H]' . . 1 $entity_1 . . 0.9 . . mM . . . . 51646 1 2 MOPS 'natural abundance' . . . . . . 100 . . mM . . . . 51646 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 51646 1 4 DMPC [U-2H] . . . . . . 59 . . mM . . . . 51646 1 5 DHPC [U-2H] . . . . . . 150 . . mM . . . . 51646 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 51646 1 7 NaN3 'natural abundance' . . . . . . 0.1 . . mg . . . . 51646 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 51646 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 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 'ionic strength' 0.1 . M 51646 1 pH 7 . pH 51646 1 pressure 1 . atm 51646 1 temperature 313 . K 51646 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51646 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 'Version 9.0' _Software.DOI . _Software.Details 'Rev 2017.212.11.38 64-bit' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51646 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51646 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51646 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51646 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51646 3 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 51646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Fleckvieh _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51646 _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 '2D 1H-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51646 1 2 '3D 13C, 13C NOESY HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51646 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 51646 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NaKd18 F92A' _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 carbon' . . . . ppm 25 internal direct 1 . . . . . 51646 1 H 1 DSS 'methylene protons' . . . . ppm 0 internal direct 1 . . . . . 51646 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51646 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 51646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NaKd18 F92A' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51646 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 3 $software_3 . . 51646 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 5 5 TRP H H 1 7.623 . . 1 . . 171 . . 19 TRP H . 51646 1 2 . 1 . 1 5 5 TRP N N 15 117.242 . . 1 . . 172 . . 19 TRP N . 51646 1 3 . 1 . 1 6 6 LYS H H 1 7.547 . . 1 . . 173 . . 20 LYS H . 51646 1 4 . 1 . 1 6 6 LYS N N 15 117.477 . . 1 . . 174 . . 20 LYS N . 51646 1 5 . 1 . 1 7 7 ASP H H 1 7.605 . . 1 . . 175 . . 21 ASP H . 51646 1 6 . 1 . 1 7 7 ASP N N 15 120.702 . . 1 . . 176 . . 21 ASP N . 51646 1 7 . 1 . 1 8 8 LYS H H 1 8.638 . . 1 . . 199 . . 22 LYS H . 51646 1 8 . 1 . 1 8 8 LYS N N 15 127.514 . . 1 . . 200 . . 22 LYS N . 51646 1 9 . 1 . 1 10 10 PHE H H 1 8.112 . . 1 . . 181 . . 24 PHE H . 51646 1 10 . 1 . 1 10 10 PHE N N 15 119.836 . . 1 . . 182 . . 24 PHE N . 51646 1 11 . 1 . 1 11 11 GLN H H 1 8.242 . . 1 . . 165 . . 25 GLN H . 51646 1 12 . 1 . 1 11 11 GLN N N 15 117.750 . . 1 . . 166 . . 25 GLN N . 51646 1 13 . 1 . 1 12 12 VAL H H 1 8.072 . . 1 . . 159 . . 26 VAL H . 51646 1 14 . 1 . 1 12 12 VAL HG11 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG11 . 51646 1 15 . 1 . 1 12 12 VAL HG12 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG12 . 51646 1 16 . 1 . 1 12 12 VAL HG13 H 1 0.916 0.001 . 1 . . 50 . . 26 VAL HG13 . 51646 1 17 . 1 . 1 12 12 VAL HG21 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG21 . 51646 1 18 . 1 . 1 12 12 VAL HG22 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG22 . 51646 1 19 . 1 . 1 12 12 VAL HG23 H 1 1.093 0.002 . 1 . . 72 . . 26 VAL HG23 . 51646 1 20 . 1 . 1 12 12 VAL CG1 C 13 21.488 0.019 . 1 . . 51 . . 26 VAL CG1 . 51646 1 21 . 1 . 1 12 12 VAL CG2 C 13 23.226 0.037 . 1 . . 73 . . 26 VAL CG2 . 51646 1 22 . 1 . 1 12 12 VAL N N 15 117.875 . . 1 . . 160 . . 26 VAL N . 51646 1 23 . 1 . 1 13 13 LEU H H 1 8.105 . . 1 . . 179 . . 27 LEU H . 51646 1 24 . 1 . 1 13 13 LEU HD11 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD11 . 51646 1 25 . 1 . 1 13 13 LEU HD12 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD12 . 51646 1 26 . 1 . 1 13 13 LEU HD13 H 1 0.880 0.001 . 1 . . 96 . . 27 LEU HD13 . 51646 1 27 . 1 . 1 13 13 LEU HD21 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD21 . 51646 1 28 . 1 . 1 13 13 LEU HD22 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD22 . 51646 1 29 . 1 . 1 13 13 LEU HD23 H 1 0.954 0.001 . 1 . . 82 . . 27 LEU HD23 . 51646 1 30 . 1 . 1 13 13 LEU CD1 C 13 25.322 0.024 . 1 . . 97 . . 27 LEU CD1 . 51646 1 31 . 1 . 1 13 13 LEU CD2 C 13 22.853 0.031 . 1 . . 83 . . 27 LEU CD2 . 51646 1 32 . 1 . 1 13 13 LEU N N 15 119.529 . . 1 . . 180 . . 27 LEU N . 51646 1 33 . 1 . 1 14 14 PHE H H 1 8.840 . . 1 . . 147 . . 28 PHE H . 51646 1 34 . 1 . 1 14 14 PHE N N 15 122.736 . . 1 . . 148 . . 28 PHE N . 51646 1 35 . 1 . 1 15 15 VAL HG11 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG11 . 51646 1 36 . 1 . 1 15 15 VAL HG12 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG12 . 51646 1 37 . 1 . 1 15 15 VAL HG13 H 1 0.834 0.002 . 1 . . 88 . . 29 VAL HG13 . 51646 1 38 . 1 . 1 15 15 VAL HG21 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG21 . 51646 1 39 . 1 . 1 15 15 VAL HG22 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG22 . 51646 1 40 . 1 . 1 15 15 VAL HG23 H 1 1.090 0.001 . 1 . . 48 . . 29 VAL HG23 . 51646 1 41 . 1 . 1 15 15 VAL CG1 C 13 21.299 0.035 . 1 . . 89 . . 29 VAL CG1 . 51646 1 42 . 1 . 1 15 15 VAL CG2 C 13 23.308 0.038 . 1 . . 49 . . 29 VAL CG2 . 51646 1 43 . 1 . 1 16 16 LEU H H 1 8.674 . . 1 . . 123 . . 30 LEU H . 51646 1 44 . 1 . 1 16 16 LEU HD11 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD11 . 51646 1 45 . 1 . 1 16 16 LEU HD12 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD12 . 51646 1 46 . 1 . 1 16 16 LEU HD13 H 1 0.792 0.001 . 1 . . 68 . . 30 LEU HD13 . 51646 1 47 . 1 . 1 16 16 LEU HD21 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD21 . 51646 1 48 . 1 . 1 16 16 LEU HD22 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD22 . 51646 1 49 . 1 . 1 16 16 LEU HD23 H 1 0.758 0.001 . 1 . . 56 . . 30 LEU HD23 . 51646 1 50 . 1 . 1 16 16 LEU CD1 C 13 25.948 0.021 . 1 . . 69 . . 30 LEU CD1 . 51646 1 51 . 1 . 1 16 16 LEU CD2 C 13 22.363 0.022 . 1 . . 57 . . 30 LEU CD2 . 51646 1 52 . 1 . 1 16 16 LEU N N 15 117.725 . . 1 . . 124 . . 30 LEU N . 51646 1 53 . 1 . 1 18 18 ILE H H 1 7.903 . . 1 . . 113 . . 32 ILE H . 51646 1 54 . 1 . 1 18 18 ILE HD11 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD11 . 51646 1 55 . 1 . 1 18 18 ILE HD12 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD12 . 51646 1 56 . 1 . 1 18 18 ILE HD13 H 1 0.215 0.001 . 1 . . 58 . . 32 ILE HD13 . 51646 1 57 . 1 . 1 18 18 ILE CD1 C 13 10.643 0.025 . 1 . . 59 . . 32 ILE CD1 . 51646 1 58 . 1 . 1 18 18 ILE N N 15 121.497 . . 1 . . 114 . . 32 ILE N . 51646 1 59 . 1 . 1 19 19 LEU HD11 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD11 . 51646 1 60 . 1 . 1 19 19 LEU HD12 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD12 . 51646 1 61 . 1 . 1 19 19 LEU HD13 H 1 0.780 0.001 . 1 . . 74 . . 33 LEU HD13 . 51646 1 62 . 1 . 1 19 19 LEU HD21 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD21 . 51646 1 63 . 1 . 1 19 19 LEU HD22 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD22 . 51646 1 64 . 1 . 1 19 19 LEU HD23 H 1 0.758 0.001 . 1 . . 78 . . 33 LEU HD23 . 51646 1 65 . 1 . 1 19 19 LEU CD1 C 13 25.025 0.032 . 1 . . 75 . . 33 LEU CD1 . 51646 1 66 . 1 . 1 19 19 LEU CD2 C 13 22.939 0.014 . 1 . . 79 . . 33 LEU CD2 . 51646 1 67 . 1 . 1 21 21 LEU H H 1 8.557 . . 1 . . 117 . . 35 LEU H . 51646 1 68 . 1 . 1 21 21 LEU HD11 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD11 . 51646 1 69 . 1 . 1 21 21 LEU HD12 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD12 . 51646 1 70 . 1 . 1 21 21 LEU HD13 H 1 0.866 0.001 . 1 . . 84 . . 35 LEU HD13 . 51646 1 71 . 1 . 1 21 21 LEU HD21 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD21 . 51646 1 72 . 1 . 1 21 21 LEU HD22 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD22 . 51646 1 73 . 1 . 1 21 21 LEU HD23 H 1 0.749 0.001 . 1 . . 66 . . 35 LEU HD23 . 51646 1 74 . 1 . 1 21 21 LEU CD1 C 13 22.531 0.029 . 1 . . 85 . . 35 LEU CD1 . 51646 1 75 . 1 . 1 21 21 LEU CD2 C 13 25.711 0.03 . 1 . . 67 . . 35 LEU CD2 . 51646 1 76 . 1 . 1 21 21 LEU N N 15 126.140 . . 1 . . 118 . . 35 LEU N . 51646 1 77 . 1 . 1 22 22 ILE H H 1 9.015 . . 1 . . 119 . . 36 ILE H . 51646 1 78 . 1 . 1 22 22 ILE HD11 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD11 . 51646 1 79 . 1 . 1 22 22 ILE HD12 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD12 . 51646 1 80 . 1 . 1 22 22 ILE HD13 H 1 0.736 0.001 . 1 . . 38 . . 36 ILE HD13 . 51646 1 81 . 1 . 1 22 22 ILE CD1 C 13 13.425 0.019 . 1 . . 39 . . 36 ILE CD1 . 51646 1 82 . 1 . 1 22 22 ILE N N 15 123.110 . . 1 . . 120 . . 36 ILE N . 51646 1 83 . 1 . 1 23 23 SER H H 1 8.106 . . 1 . . 161 . . 37 SER H . 51646 1 84 . 1 . 1 23 23 SER N N 15 116.729 . . 1 . . 162 . . 37 SER N . 51646 1 85 . 1 . 1 26 26 ILE HD11 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD11 . 51646 1 86 . 1 . 1 26 26 ILE HD12 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD12 . 51646 1 87 . 1 . 1 26 26 ILE HD13 H 1 0.775 0.0 . 1 . . 32 . . 40 ILE HD13 . 51646 1 88 . 1 . 1 26 26 ILE CD1 C 13 13.799 0.003 . 1 . . 33 . . 40 ILE CD1 . 51646 1 89 . 1 . 1 28 28 TYR H H 1 9.004 . . 1 . . 139 . . 42 TYR H . 51646 1 90 . 1 . 1 28 28 TYR N N 15 116.335 . . 1 . . 140 . . 42 TYR N . 51646 1 91 . 1 . 1 29 29 SER H H 1 7.681 . . 1 . . 185 . . 43 SER H . 51646 1 92 . 1 . 1 29 29 SER N N 15 114.469 . . 1 . . 186 . . 43 SER N . 51646 1 93 . 1 . 1 31 31 VAL HG11 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG11 . 51646 1 94 . 1 . 1 31 31 VAL HG12 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG12 . 51646 1 95 . 1 . 1 31 31 VAL HG13 H 1 0.198 0.001 . 1 . . 10 . . 45 VAL HG13 . 51646 1 96 . 1 . 1 31 31 VAL HG21 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG21 . 51646 1 97 . 1 . 1 31 31 VAL HG22 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG22 . 51646 1 98 . 1 . 1 31 31 VAL HG23 H 1 0.686 0.0 . 1 . . 8 . . 45 VAL HG23 . 51646 1 99 . 1 . 1 31 31 VAL CG1 C 13 22.312 0.006 . 1 . . 11 . . 45 VAL CG1 . 51646 1 100 . 1 . 1 31 31 VAL CG2 C 13 21.080 0.001 . 1 . . 9 . . 45 VAL CG2 . 51646 1 101 . 1 . 1 32 32 GLU H H 1 6.341 0.0 . 1 . . 191 . . 46 GLU H . 51646 1 102 . 1 . 1 32 32 GLU N N 15 112.503 . . 1 . . 192 . . 46 GLU N . 51646 1 103 . 1 . 1 33 33 GLY H H 1 6.684 . . 1 . . 127 . . 47 GLY H . 51646 1 104 . 1 . 1 33 33 GLY N N 15 106.195 . . 1 . . 128 . . 47 GLY N . 51646 1 105 . 1 . 1 34 34 LEU H H 1 7.153 . . 1 . . 107 . . 48 LEU H . 51646 1 106 . 1 . 1 34 34 LEU HD11 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD11 . 51646 1 107 . 1 . 1 34 34 LEU HD12 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD12 . 51646 1 108 . 1 . 1 34 34 LEU HD13 H 1 0.075 0.001 . 1 . . 16 . . 48 LEU HD13 . 51646 1 109 . 1 . 1 34 34 LEU HD21 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD21 . 51646 1 110 . 1 . 1 34 34 LEU HD22 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD22 . 51646 1 111 . 1 . 1 34 34 LEU HD23 H 1 0.400 0.001 . 1 . . 18 . . 48 LEU HD23 . 51646 1 112 . 1 . 1 34 34 LEU CD1 C 13 24.394 0.001 . 1 . . 17 . . 48 LEU CD1 . 51646 1 113 . 1 . 1 34 34 LEU CD2 C 13 21.515 0.004 . 1 . . 19 . . 48 LEU CD2 . 51646 1 114 . 1 . 1 34 34 LEU N N 15 119.112 . . 1 . . 108 . . 48 LEU N . 51646 1 115 . 1 . 1 35 35 ARG H H 1 9.029 . . 1 . . 145 . . 49 ARG H . 51646 1 116 . 1 . 1 35 35 ARG N N 15 121.975 . . 1 . . 146 . . 49 ARG N . 51646 1 117 . 1 . 1 37 37 ILE H H 1 8.617 . . 1 . . 125 . . 51 ILE H . 51646 1 118 . 1 . 1 37 37 ILE HD11 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD11 . 51646 1 119 . 1 . 1 37 37 ILE HD12 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD12 . 51646 1 120 . 1 . 1 37 37 ILE HD13 H 1 0.967 0.002 . 1 . . 44 . . 51 ILE HD13 . 51646 1 121 . 1 . 1 37 37 ILE CD1 C 13 13.765 0.024 . 1 . . 45 . . 51 ILE CD1 . 51646 1 122 . 1 . 1 37 37 ILE N N 15 114.746 . . 1 . . 126 . . 51 ILE N . 51646 1 123 . 1 . 1 38 38 ASP H H 1 6.733 . . 1 . . 187 . . 52 ASP H . 51646 1 124 . 1 . 1 38 38 ASP N N 15 123.537 . . 1 . . 188 . . 52 ASP N . 51646 1 125 . 1 . 1 39 39 ALA H H 1 8.418 . . 1 . . 195 . . 53 ALA H . 51646 1 126 . 1 . 1 39 39 ALA N N 15 124.863 . . 1 . . 196 . . 53 ALA N . 51646 1 127 . 1 . 1 40 40 LEU H H 1 8.723 . . 1 . . 121 . . 54 LEU H . 51646 1 128 . 1 . 1 40 40 LEU HD11 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD11 . 51646 1 129 . 1 . 1 40 40 LEU HD12 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD12 . 51646 1 130 . 1 . 1 40 40 LEU HD13 H 1 0.917 0.002 . 1 . . 62 . . 54 LEU HD13 . 51646 1 131 . 1 . 1 40 40 LEU HD21 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD21 . 51646 1 132 . 1 . 1 40 40 LEU HD22 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD22 . 51646 1 133 . 1 . 1 40 40 LEU HD23 H 1 0.878 0.001 . 1 . . 20 . . 54 LEU HD23 . 51646 1 134 . 1 . 1 40 40 LEU CD1 C 13 22.569 0.026 . 1 . . 63 . . 54 LEU CD1 . 51646 1 135 . 1 . 1 40 40 LEU CD2 C 13 26.387 0.01 . 1 . . 21 . . 54 LEU CD2 . 51646 1 136 . 1 . 1 40 40 LEU N N 15 123.709 . . 1 . . 122 . . 54 LEU N . 51646 1 137 . 1 . 1 41 41 TYR H H 1 8.520 . . 1 . . 157 . . 55 TYR H . 51646 1 138 . 1 . 1 41 41 TYR N N 15 120.581 . . 1 . . 158 . . 55 TYR N . 51646 1 139 . 1 . 1 44 44 VAL HG11 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG11 . 51646 1 140 . 1 . 1 44 44 VAL HG12 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG12 . 51646 1 141 . 1 . 1 44 44 VAL HG13 H 1 0.747 0.001 . 1 . . 46 . . 58 VAL HG13 . 51646 1 142 . 1 . 1 44 44 VAL HG21 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG21 . 51646 1 143 . 1 . 1 44 44 VAL HG22 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG22 . 51646 1 144 . 1 . 1 44 44 VAL HG23 H 1 1.179 0.003 . 1 . . 14 . . 58 VAL HG23 . 51646 1 145 . 1 . 1 44 44 VAL CG1 C 13 21.082 0.028 . 1 . . 47 . . 58 VAL CG1 . 51646 1 146 . 1 . 1 44 44 VAL CG2 C 13 23.915 0.025 . 1 . . 15 . . 58 VAL CG2 . 51646 1 147 . 1 . 1 45 45 VAL HG11 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG11 . 51646 1 148 . 1 . 1 45 45 VAL HG12 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG12 . 51646 1 149 . 1 . 1 45 45 VAL HG13 H 1 0.349 0.002 . 1 . . 12 . . 59 VAL HG13 . 51646 1 150 . 1 . 1 45 45 VAL HG21 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG21 . 51646 1 151 . 1 . 1 45 45 VAL HG22 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG22 . 51646 1 152 . 1 . 1 45 45 VAL HG23 H 1 0.761 0.001 . 1 . . 7 . . 59 VAL HG23 . 51646 1 153 . 1 . 1 45 45 VAL CG1 C 13 20.259 0.022 . 1 . . 13 . . 59 VAL CG1 . 51646 1 154 . 1 . 1 45 45 VAL CG2 C 13 18.786 0.014 . 1 . . 98 . . 59 VAL CG2 . 51646 1 155 . 1 . 1 47 47 LEU HD11 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD11 . 51646 1 156 . 1 . 1 47 47 LEU HD12 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD12 . 51646 1 157 . 1 . 1 47 47 LEU HD13 H 1 0.401 0.001 . 1 . . 80 . . 61 LEU HD13 . 51646 1 158 . 1 . 1 47 47 LEU HD21 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD21 . 51646 1 159 . 1 . 1 47 47 LEU HD22 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD22 . 51646 1 160 . 1 . 1 47 47 LEU HD23 H 1 0.180 0.001 . 1 . . 86 . . 61 LEU HD23 . 51646 1 161 . 1 . 1 47 47 LEU CD1 C 13 25.848 0.043 . 1 . . 81 . . 61 LEU CD1 . 51646 1 162 . 1 . 1 47 47 LEU CD2 C 13 22.406 0.068 . 1 . . 87 . . 61 LEU CD2 . 51646 1 163 . 1 . 1 50 50 VAL H H 1 7.420 . . 1 . . 111 . . 64 VAL H . 51646 1 164 . 1 . 1 50 50 VAL HG11 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG11 . 51646 1 165 . 1 . 1 50 50 VAL HG12 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG12 . 51646 1 166 . 1 . 1 50 50 VAL HG13 H 1 1.027 0.002 . 1 . . 60 . . 64 VAL HG13 . 51646 1 167 . 1 . 1 50 50 VAL HG21 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG21 . 51646 1 168 . 1 . 1 50 50 VAL HG22 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG22 . 51646 1 169 . 1 . 1 50 50 VAL HG23 H 1 0.950 0.001 . 1 . . 1 . . 64 VAL HG23 . 51646 1 170 . 1 . 1 50 50 VAL CG1 C 13 22.302 0.017 . 1 . . 61 . . 64 VAL CG1 . 51646 1 171 . 1 . 1 50 50 VAL CG2 C 13 22.077 0.022 . 1 . . 2 . . 64 VAL CG2 . 51646 1 172 . 1 . 1 50 50 VAL N N 15 125.144 . . 1 . . 112 . . 64 VAL N . 51646 1 173 . 1 . 1 51 51 GLY H H 1 7.459 . . 1 . . 129 . . 65 GLY H . 51646 1 174 . 1 . 1 51 51 GLY N N 15 102.152 . . 1 . . 130 . . 65 GLY N . 51646 1 175 . 1 . 1 53 53 GLY H H 1 8.733 . . 1 . . 137 . . 67 GLY H . 51646 1 176 . 1 . 1 53 53 GLY N N 15 112.633 . . 1 . . 138 . . 67 GLY N . 51646 1 177 . 1 . 1 54 54 ASN H H 1 8.793 . . 1 . . 155 . . 68 ASN H . 51646 1 178 . 1 . 1 54 54 ASN N N 15 117.676 . . 1 . . 156 . . 68 ASN N . 51646 1 179 . 1 . 1 56 56 SER H H 1 6.472 . . 1 . . 189 . . 70 SER H . 51646 1 180 . 1 . 1 56 56 SER N N 15 118.197 . . 1 . . 190 . . 70 SER N . 51646 1 181 . 1 . 1 58 58 GLN H H 1 10.208 . . 1 . . 143 . . 72 GLN H . 51646 1 182 . 1 . 1 58 58 GLN N N 15 121.654 . . 1 . . 144 . . 72 GLN N . 51646 1 183 . 1 . 1 59 59 THR H H 1 9.579 . . 1 . . 141 . . 73 THR H . 51646 1 184 . 1 . 1 59 59 THR N N 15 115.828 . . 1 . . 142 . . 73 THR N . 51646 1 185 . 1 . 1 60 60 ASP H H 1 9.068 . . 1 . . 201 . . 74 ASP H . 51646 1 186 . 1 . 1 60 60 ASP N N 15 125.692 . . 1 . . 202 . . 74 ASP N . 51646 1 187 . 1 . 1 61 61 PHE H H 1 8.877 . . 1 . . 151 . . 75 PHE H . 51646 1 188 . 1 . 1 61 61 PHE N N 15 119.360 . . 1 . . 152 . . 75 PHE N . 51646 1 189 . 1 . 1 62 62 GLY H H 1 8.983 . . 1 . . 135 . . 76 GLY H . 51646 1 190 . 1 . 1 62 62 GLY N N 15 108.656 . . 1 . . 136 . . 76 GLY N . 51646 1 191 . 1 . 1 63 63 LYS H H 1 8.570 . . 1 . . 197 . . 77 LYS H . 51646 1 192 . 1 . 1 63 63 LYS N N 15 126.979 . . 1 . . 198 . . 77 LYS N . 51646 1 193 . 1 . 1 64 64 ILE HD11 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD11 . 51646 1 194 . 1 . 1 64 64 ILE HD12 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD12 . 51646 1 195 . 1 . 1 64 64 ILE HD13 H 1 0.865 0.002 . 1 . . 40 . . 78 ILE HD13 . 51646 1 196 . 1 . 1 64 64 ILE CD1 C 13 12.101 0.028 . 1 . . 41 . . 78 ILE CD1 . 51646 1 197 . 1 . 1 65 65 PHE H H 1 9.022 . . 1 . . 153 . . 79 PHE H . 51646 1 198 . 1 . 1 65 65 PHE N N 15 119.047 . . 1 . . 154 . . 79 PHE N . 51646 1 199 . 1 . 1 67 67 ILE H H 1 7.701 . . 1 . . 115 . . 81 ILE H . 51646 1 200 . 1 . 1 67 67 ILE HD11 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD11 . 51646 1 201 . 1 . 1 67 67 ILE HD12 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD12 . 51646 1 202 . 1 . 1 67 67 ILE HD13 H 1 0.937 0.001 . 1 . . 42 . . 81 ILE HD13 . 51646 1 203 . 1 . 1 67 67 ILE CD1 C 13 13.718 0.018 . 1 . . 43 . . 81 ILE CD1 . 51646 1 204 . 1 . 1 67 67 ILE N N 15 119.541 . . 1 . . 116 . . 81 ILE N . 51646 1 205 . 1 . 1 68 68 LEU H H 1 7.169 . . 1 . . 105 . . 82 LEU H . 51646 1 206 . 1 . 1 68 68 LEU HD11 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD11 . 51646 1 207 . 1 . 1 68 68 LEU HD12 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD12 . 51646 1 208 . 1 . 1 68 68 LEU HD13 H 1 0.835 0.001 . 1 . . 24 . . 82 LEU HD13 . 51646 1 209 . 1 . 1 68 68 LEU HD21 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD21 . 51646 1 210 . 1 . 1 68 68 LEU HD22 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD22 . 51646 1 211 . 1 . 1 68 68 LEU HD23 H 1 0.807 0.001 . 1 . . 76 . . 82 LEU HD23 . 51646 1 212 . 1 . 1 68 68 LEU CD1 C 13 25.133 0.015 . 1 . . 25 . . 82 LEU CD1 . 51646 1 213 . 1 . 1 68 68 LEU CD2 C 13 23.240 0.017 . 1 . . 77 . . 82 LEU CD2 . 51646 1 214 . 1 . 1 68 68 LEU N N 15 117.546 . . 1 . . 106 . . 82 LEU N . 51646 1 215 . 1 . 1 69 69 TYR H H 1 8.886 . . 1 . . 149 . . 83 TYR H . 51646 1 216 . 1 . 1 69 69 TYR N N 15 120.361 . . 1 . . 150 . . 83 TYR N . 51646 1 217 . 1 . 1 70 70 ILE H H 1 8.240 . . 1 . . 163 . . 84 ILE H . 51646 1 218 . 1 . 1 70 70 ILE HD11 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD11 . 51646 1 219 . 1 . 1 70 70 ILE HD12 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD12 . 51646 1 220 . 1 . 1 70 70 ILE HD13 H 1 0.585 0.001 . 1 . . 30 . . 84 ILE HD13 . 51646 1 221 . 1 . 1 70 70 ILE CD1 C 13 15.135 0.019 . 1 . . 31 . . 84 ILE CD1 . 51646 1 222 . 1 . 1 70 70 ILE N N 15 116.997 . . 1 . . 164 . . 84 ILE N . 51646 1 223 . 1 . 1 72 72 ILE HD11 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD11 . 51646 1 224 . 1 . 1 72 72 ILE HD12 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD12 . 51646 1 225 . 1 . 1 72 72 ILE HD13 H 1 0.765 0.001 . 1 . . 36 . . 86 ILE HD13 . 51646 1 226 . 1 . 1 72 72 ILE CD1 C 13 12.989 0.023 . 1 . . 37 . . 86 ILE CD1 . 51646 1 227 . 1 . 1 73 73 GLY H H 1 8.463 . . 1 . . 133 . . 87 GLY H . 51646 1 228 . 1 . 1 73 73 GLY N N 15 107.717 . . 1 . . 134 . . 87 GLY N . 51646 1 229 . 1 . 1 74 74 ILE HD11 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD11 . 51646 1 230 . 1 . 1 74 74 ILE HD12 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD12 . 51646 1 231 . 1 . 1 74 74 ILE HD13 H 1 0.609 0.001 . 1 . . 28 . . 88 ILE HD13 . 51646 1 232 . 1 . 1 74 74 ILE CD1 C 13 14.838 0.019 . 1 . . 29 . . 88 ILE CD1 . 51646 1 233 . 1 . 1 76 76 LEU H H 1 7.071 . . 1 . . 109 . . 90 LEU H . 51646 1 234 . 1 . 1 76 76 LEU HD11 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD11 . 51646 1 235 . 1 . 1 76 76 LEU HD12 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD12 . 51646 1 236 . 1 . 1 76 76 LEU HD13 H 1 0.739 0.001 . 2 . . 64 . . 90 LEU HD13 . 51646 1 237 . 1 . 1 76 76 LEU HD21 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD21 . 51646 1 238 . 1 . 1 76 76 LEU HD22 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD22 . 51646 1 239 . 1 . 1 76 76 LEU HD23 H 1 0.816 0.001 . 2 . . 22 . . 90 LEU HD23 . 51646 1 240 . 1 . 1 76 76 LEU CD1 C 13 24.403 0.056 . 2 . . 65 . . 90 LEU CD1 . 51646 1 241 . 1 . 1 76 76 LEU CD2 C 13 25.364 0.016 . 2 . . 23 . . 90 LEU CD2 . 51646 1 242 . 1 . 1 76 76 LEU N N 15 122.075 . . 1 . . 110 . . 90 LEU N . 51646 1 243 . 1 . 1 77 77 VAL H H 1 7.971 . . 1 . . 167 . . 91 VAL H . 51646 1 244 . 1 . 1 77 77 VAL HG11 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG11 . 51646 1 245 . 1 . 1 77 77 VAL HG12 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG12 . 51646 1 246 . 1 . 1 77 77 VAL HG13 H 1 0.901 0.002 . 1 . . 5 . . 91 VAL HG13 . 51646 1 247 . 1 . 1 77 77 VAL HG21 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG21 . 51646 1 248 . 1 . 1 77 77 VAL HG22 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG22 . 51646 1 249 . 1 . 1 77 77 VAL HG23 H 1 1.021 0.001 . 1 . . 3 . . 91 VAL HG23 . 51646 1 250 . 1 . 1 77 77 VAL CG1 C 13 22.106 0.09 . 1 . . 6 . . 91 VAL CG1 . 51646 1 251 . 1 . 1 77 77 VAL CG2 C 13 23.973 0.036 . 1 . . 4 . . 91 VAL CG2 . 51646 1 252 . 1 . 1 77 77 VAL N N 15 118.734 . . 1 . . 168 . . 91 VAL N . 51646 1 253 . 1 . 1 79 79 GLY H H 1 7.889 . . 1 . . 131 . . 93 GLY H . 51646 1 254 . 1 . 1 79 79 GLY N N 15 105.942 . . 1 . . 132 . . 93 GLY N . 51646 1 255 . 1 . 1 80 80 PHE H H 1 8.387 . . 1 . . 193 . . 94 PHE H . 51646 1 256 . 1 . 1 80 80 PHE N N 15 123.769 . . 1 . . 194 . . 94 PHE N . 51646 1 257 . 1 . 1 81 81 ILE HD11 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD11 . 51646 1 258 . 1 . 1 81 81 ILE HD12 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD12 . 51646 1 259 . 1 . 1 81 81 ILE HD13 H 1 0.681 0.002 . 1 . . 26 . . 95 ILE HD13 . 51646 1 260 . 1 . 1 81 81 ILE CD1 C 13 13.093 0.02 . 1 . . 27 . . 95 ILE CD1 . 51646 1 261 . 1 . 1 83 83 LYS H H 1 7.809 . . 1 . . 169 . . 97 LYS H . 51646 1 262 . 1 . 1 83 83 LYS N N 15 117.989 . . 1 . . 170 . . 97 LYS N . 51646 1 263 . 1 . 1 84 84 LEU HD11 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD11 . 51646 1 264 . 1 . 1 84 84 LEU HD12 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD12 . 51646 1 265 . 1 . 1 84 84 LEU HD13 H 1 0.727 0.002 . 1 . . 90 . . 98 LEU HD13 . 51646 1 266 . 1 . 1 84 84 LEU HD21 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD21 . 51646 1 267 . 1 . 1 84 84 LEU HD22 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD22 . 51646 1 268 . 1 . 1 84 84 LEU HD23 H 1 0.720 0.003 . 1 . . 92 . . 98 LEU HD23 . 51646 1 269 . 1 . 1 84 84 LEU CD1 C 13 24.556 0.011 . 1 . . 91 . . 98 LEU CD1 . 51646 1 270 . 1 . 1 84 84 LEU CD2 C 13 24.604 0.036 . 1 . . 93 . . 98 LEU CD2 . 51646 1 271 . 1 . 1 86 86 VAL HG11 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG11 . 51646 1 272 . 1 . 1 86 86 VAL HG12 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG12 . 51646 1 273 . 1 . 1 86 86 VAL HG13 H 1 0.837 0.0 . 2 . . 99 . . 100 VAL HG13 . 51646 1 274 . 1 . 1 86 86 VAL CG1 C 13 20.922 . . 2 . . 100 . . 100 VAL CG1 . 51646 1 275 . 1 . 1 88 88 VAL H H 1 7.425 . . 1 . . 177 . . 102 VAL H . 51646 1 276 . 1 . 1 88 88 VAL N N 15 117.707 . . 1 . . 178 . . 102 VAL N . 51646 1 277 . 1 . 1 90 90 LEU HD11 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD11 . 51646 1 278 . 1 . 1 90 90 LEU HD12 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD12 . 51646 1 279 . 1 . 1 90 90 LEU HD13 H 1 0.867 0.001 . 2 . . 94 . . 104 LEU HD13 . 51646 1 280 . 1 . 1 90 90 LEU HD21 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD21 . 51646 1 281 . 1 . 1 90 90 LEU HD22 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD22 . 51646 1 282 . 1 . 1 90 90 LEU HD23 H 1 0.827 0.001 . 2 . . 70 . . 104 LEU HD23 . 51646 1 283 . 1 . 1 90 90 LEU CD1 C 13 25.057 0.028 . 2 . . 95 . . 104 LEU CD1 . 51646 1 284 . 1 . 1 90 90 LEU CD2 C 13 23.652 0.018 . 2 . . 71 . . 104 LEU CD2 . 51646 1 285 . 1 . 1 93 93 ILE HD11 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD11 . 51646 1 286 . 1 . 1 93 93 ILE HD12 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD12 . 51646 1 287 . 1 . 1 93 93 ILE HD13 H 1 0.819 0.001 . 1 . . 34 . . 107 ILE HD13 . 51646 1 288 . 1 . 1 93 93 ILE CD1 C 13 13.463 0.02 . 1 . . 35 . . 107 ILE CD1 . 51646 1 289 . 1 . 1 94 94 LEU HD11 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD11 . 51646 1 290 . 1 . 1 94 94 LEU HD12 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD12 . 51646 1 291 . 1 . 1 94 94 LEU HD13 H 1 0.831 0.001 . 2 . . 54 . . 108 LEU HD13 . 51646 1 292 . 1 . 1 94 94 LEU HD21 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD21 . 51646 1 293 . 1 . 1 94 94 LEU HD22 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD22 . 51646 1 294 . 1 . 1 94 94 LEU HD23 H 1 0.867 0.001 . 2 . . 52 . . 108 LEU HD23 . 51646 1 295 . 1 . 1 94 94 LEU CD1 C 13 23.014 0.028 . 2 . . 55 . . 108 LEU CD1 . 51646 1 296 . 1 . 1 94 94 LEU CD2 C 13 25.347 0.017 . 2 . . 53 . . 108 LEU CD2 . 51646 1 297 . 1 . 1 95 95 SER H H 1 7.800 . . 1 . . 183 . . 109 SER H . 51646 1 298 . 1 . 1 95 95 SER N N 15 114.604 . . 1 . . 184 . . 109 SER N . 51646 1 stop_ save_