data_26617 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26617 _Entry.Title ; Backbone Assignments for non-selective ion channel NaK tetramer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-24 _Entry.Accession_date 2015-07-24 _Entry.Last_release_date 2015-12-18 _Entry.Original_release_date 2015-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Joshua Brettmann . . . 26617 2 Katherine Henzler-Wildman . . . 26617 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26617 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 199 26617 '15N chemical shifts' 77 26617 '1H chemical shifts' 79 26617 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 . . 2015-12-18 . original BMRB . 26617 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26617 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26621745 _Citation.Full_citation . _Citation.Title ; Role of protein dynamics in ion selectivity and allosteric coupling in the NaK channel ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 50 _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 15366 _Citation.Page_last 15371 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Joshua Brettmann . . . 26617 1 2 Darya Urusova . . . 26617 1 3 Marco Tonelli . . . 26617 1 4 Jonathan Silva . . . 26617 1 5 Katherine Henzler-Wildman . . . 26617 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26617 _Assembly.ID 1 _Assembly.Name 'NaK tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NaK, chain 1' 1 $NaK A . yes native no no . . . 26617 1 2 'NaK, chain 2' 1 $NaK B . yes native no no . . . 26617 1 3 'NaK, chain 3' 1 $NaK C . yes native no no . . . 26617 1 4 'NaK, chain 4' 1 $NaK D . yes native no no . . . 26617 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NaK _Entity.Sf_category entity _Entity.Sf_framecode NaK _Entity.Entry_ID 26617 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NaK _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 ; GSHMAKDKEFQVLFVLTILT LISGTIFYSTVEGLRPIDAL YFSVVTLTTVGDGNFSPQTD FGKIFTILYIFIGIGLVFGF IHKLAVNVQLPSILSN ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 15 GLY . 26617 1 2 16 SER . 26617 1 3 17 HIS . 26617 1 4 18 MET . 26617 1 5 19 ALA . 26617 1 6 20 LYS . 26617 1 7 21 ASP . 26617 1 8 22 LYS . 26617 1 9 23 GLU . 26617 1 10 24 PHE . 26617 1 11 25 GLN . 26617 1 12 26 VAL . 26617 1 13 27 LEU . 26617 1 14 28 PHE . 26617 1 15 29 VAL . 26617 1 16 30 LEU . 26617 1 17 31 THR . 26617 1 18 32 ILE . 26617 1 19 33 LEU . 26617 1 20 34 THR . 26617 1 21 35 LEU . 26617 1 22 36 ILE . 26617 1 23 37 SER . 26617 1 24 38 GLY . 26617 1 25 39 THR . 26617 1 26 40 ILE . 26617 1 27 41 PHE . 26617 1 28 42 TYR . 26617 1 29 43 SER . 26617 1 30 44 THR . 26617 1 31 45 VAL . 26617 1 32 46 GLU . 26617 1 33 47 GLY . 26617 1 34 48 LEU . 26617 1 35 49 ARG . 26617 1 36 50 PRO . 26617 1 37 51 ILE . 26617 1 38 52 ASP . 26617 1 39 53 ALA . 26617 1 40 54 LEU . 26617 1 41 55 TYR . 26617 1 42 56 PHE . 26617 1 43 57 SER . 26617 1 44 58 VAL . 26617 1 45 59 VAL . 26617 1 46 60 THR . 26617 1 47 61 LEU . 26617 1 48 62 THR . 26617 1 49 63 THR . 26617 1 50 64 VAL . 26617 1 51 65 GLY . 26617 1 52 66 ASP . 26617 1 53 67 GLY . 26617 1 54 68 ASN . 26617 1 55 69 PHE . 26617 1 56 70 SER . 26617 1 57 71 PRO . 26617 1 58 72 GLN . 26617 1 59 73 THR . 26617 1 60 74 ASP . 26617 1 61 75 PHE . 26617 1 62 76 GLY . 26617 1 63 77 LYS . 26617 1 64 78 ILE . 26617 1 65 79 PHE . 26617 1 66 80 THR . 26617 1 67 81 ILE . 26617 1 68 82 LEU . 26617 1 69 83 TYR . 26617 1 70 84 ILE . 26617 1 71 85 PHE . 26617 1 72 86 ILE . 26617 1 73 87 GLY . 26617 1 74 88 ILE . 26617 1 75 89 GLY . 26617 1 76 90 LEU . 26617 1 77 91 VAL . 26617 1 78 92 PHE . 26617 1 79 93 GLY . 26617 1 80 94 PHE . 26617 1 81 95 ILE . 26617 1 82 96 HIS . 26617 1 83 97 LYS . 26617 1 84 98 LEU . 26617 1 85 99 ALA . 26617 1 86 100 VAL . 26617 1 87 101 ASN . 26617 1 88 102 VAL . 26617 1 89 103 GLN . 26617 1 90 104 LEU . 26617 1 91 105 PRO . 26617 1 92 106 SER . 26617 1 93 107 ILE . 26617 1 94 108 LEU . 26617 1 95 109 SER . 26617 1 96 110 ASN . 26617 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 26617 1 . SER 2 2 26617 1 . HIS 3 3 26617 1 . MET 4 4 26617 1 . ALA 5 5 26617 1 . LYS 6 6 26617 1 . ASP 7 7 26617 1 . LYS 8 8 26617 1 . GLU 9 9 26617 1 . PHE 10 10 26617 1 . GLN 11 11 26617 1 . VAL 12 12 26617 1 . LEU 13 13 26617 1 . PHE 14 14 26617 1 . VAL 15 15 26617 1 . LEU 16 16 26617 1 . THR 17 17 26617 1 . ILE 18 18 26617 1 . LEU 19 19 26617 1 . THR 20 20 26617 1 . LEU 21 21 26617 1 . ILE 22 22 26617 1 . SER 23 23 26617 1 . GLY 24 24 26617 1 . THR 25 25 26617 1 . ILE 26 26 26617 1 . PHE 27 27 26617 1 . TYR 28 28 26617 1 . SER 29 29 26617 1 . THR 30 30 26617 1 . VAL 31 31 26617 1 . GLU 32 32 26617 1 . GLY 33 33 26617 1 . LEU 34 34 26617 1 . ARG 35 35 26617 1 . PRO 36 36 26617 1 . ILE 37 37 26617 1 . ASP 38 38 26617 1 . ALA 39 39 26617 1 . LEU 40 40 26617 1 . TYR 41 41 26617 1 . PHE 42 42 26617 1 . SER 43 43 26617 1 . VAL 44 44 26617 1 . VAL 45 45 26617 1 . THR 46 46 26617 1 . LEU 47 47 26617 1 . THR 48 48 26617 1 . THR 49 49 26617 1 . VAL 50 50 26617 1 . GLY 51 51 26617 1 . ASP 52 52 26617 1 . GLY 53 53 26617 1 . ASN 54 54 26617 1 . PHE 55 55 26617 1 . SER 56 56 26617 1 . PRO 57 57 26617 1 . GLN 58 58 26617 1 . THR 59 59 26617 1 . ASP 60 60 26617 1 . PHE 61 61 26617 1 . GLY 62 62 26617 1 . LYS 63 63 26617 1 . ILE 64 64 26617 1 . PHE 65 65 26617 1 . THR 66 66 26617 1 . ILE 67 67 26617 1 . LEU 68 68 26617 1 . TYR 69 69 26617 1 . ILE 70 70 26617 1 . PHE 71 71 26617 1 . ILE 72 72 26617 1 . GLY 73 73 26617 1 . ILE 74 74 26617 1 . GLY 75 75 26617 1 . LEU 76 76 26617 1 . VAL 77 77 26617 1 . PHE 78 78 26617 1 . GLY 79 79 26617 1 . PHE 80 80 26617 1 . ILE 81 81 26617 1 . HIS 82 82 26617 1 . LYS 83 83 26617 1 . LEU 84 84 26617 1 . ALA 85 85 26617 1 . VAL 86 86 26617 1 . ASN 87 87 26617 1 . VAL 88 88 26617 1 . GLN 89 89 26617 1 . LEU 90 90 26617 1 . PRO 91 91 26617 1 . SER 92 92 26617 1 . ILE 93 93 26617 1 . LEU 94 94 26617 1 . SER 95 95 26617 1 . ASN 96 96 26617 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 26617 _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 $NaK . 1396 organism . 'Bacillus cereus' firmicutes . . Bacteria . Bacillus cereus . . . . . . . . . . . . . 26617 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 26617 _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 $NaK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . baculovirus . . Pet15B . . . 26617 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NaK_19 _Sample.Sf_category sample _Sample.Sf_framecode NaK_19 _Sample.Entry_ID 26617 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N, 70% D2O 1mM' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaK '[U-100% 13C; U-100% 15N; U-70% 2H]' . . 1 $NaK . . 1 . . mM . . . . 26617 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26617 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26617 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 26617 _Sample_condition_list.ID 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' 40 . mM 26617 1 pH 7 0.5 pH 26617 1 pressure 1 . atm 26617 1 temperature 273 . K 26617 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26617 _Software.ID 1 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26617 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26617 1 'data analysis' 26617 1 'peak picking' 26617 1 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 26617 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26617 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26617 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26617 _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 Bruker Avance . 600 . . . 26617 1 2 spectrometer_2 Bruker DMX . 750 . . . 26617 1 3 spectrometer_3 Varian INOVA . 700 . . . 26617 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 26617 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NaK_19 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26617 1 2 '3D HNCO' no . . . . . . . . . . 1 $NaK_19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26617 1 3 '3D HNCA' no . . . . . . . . . . 1 $NaK_19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26617 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NaK_19 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26617 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 26617 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.317 internal indirect 0.25144953 . . . . . . . . . 26617 1 H 1 DSS 'methyl protons' . . . . ppm 0.317 internal direct 1 . . . . . . . . . 26617 1 N 15 DSS 'methyl protons' . . . . ppm 0.317 internal indirect 0.10132918 . . . . . . . . . 26617 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 26617 _Assigned_chem_shift_list.ID 1 _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 $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 1H-15N HSQC' . . . 26617 1 2 '3D HNCO' . . . 26617 1 3 '3D HNCA' . . . 26617 1 4 '3D HNCACB' . . . 26617 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.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 9 9 GLU H H 1 8.158 0.011 . 1 . . . . 23 Glu H . 26617 1 2 . 1 1 9 9 GLU CA C 13 59.674 0.047 . 1 . . . . 23 Glu CA . 26617 1 3 . 1 1 9 9 GLU CB C 13 29.327 0.022 . 1 . . . . 23 Glu CB . 26617 1 4 . 1 1 9 9 GLU N N 15 119.248 0.089 . 1 . . . . 23 Glu N . 26617 1 5 . 1 1 10 10 PHE H H 1 8.128 0.013 . 1 . . . . 24 Phe H . 26617 1 6 . 1 1 10 10 PHE CA C 13 60.841 0.090 . 1 . . . . 24 Phe CA . 26617 1 7 . 1 1 10 10 PHE CB C 13 38.341 0.064 . 1 . . . . 24 Phe CB . 26617 1 8 . 1 1 10 10 PHE N N 15 119.164 0.042 . 1 . . . . 24 Phe N . 26617 1 9 . 1 1 11 11 GLN H H 1 8.027 0.014 . 1 . . . . 25 Gln H . 26617 1 10 . 1 1 11 11 GLN C C 13 176.312 0.000 . 1 . . . . 25 Gln C . 26617 1 11 . 1 1 11 11 GLN CA C 13 59.848 0.081 . 1 . . . . 25 Gln CA . 26617 1 12 . 1 1 11 11 GLN CB C 13 28.066 0.105 . 1 . . . . 25 Gln CB . 26617 1 13 . 1 1 11 11 GLN N N 15 117.741 0.096 . 1 . . . . 25 Gln N . 26617 1 14 . 1 1 12 12 VAL H H 1 8.131 0.010 . 1 . . . . 26 Val H . 26617 1 15 . 1 1 12 12 VAL CA C 13 66.665 0.072 . 1 . . . . 26 Val CA . 26617 1 16 . 1 1 12 12 VAL CB C 13 30.881 0.000 . 1 . . . . 26 Val CB . 26617 1 17 . 1 1 12 12 VAL N N 15 118.367 0.123 . 1 . . . . 26 Val N . 26617 1 18 . 1 1 13 13 LEU H H 1 8.146 0.007 . 1 . . . . 27 Leu H . 26617 1 19 . 1 1 13 13 LEU C C 13 177.439 0.000 . 1 . . . . 27 Leu C . 26617 1 20 . 1 1 13 13 LEU CA C 13 57.991 0.088 . 1 . . . . 27 Leu CA . 26617 1 21 . 1 1 13 13 LEU CB C 13 41.383 0.000 . 1 . . . . 27 Leu CB . 26617 1 22 . 1 1 13 13 LEU N N 15 119.681 0.095 . 1 . . . . 27 Leu N . 26617 1 23 . 1 1 14 14 PHE H H 1 8.624 0.008 . 1 . . . . 28 Phe H . 26617 1 24 . 1 1 14 14 PHE C C 13 179.428 0.000 . 1 . . . . 28 Phe C . 26617 1 25 . 1 1 14 14 PHE CA C 13 59.773 0.065 . 1 . . . . 28 Phe CA . 26617 1 26 . 1 1 14 14 PHE CB C 13 37.791 0.165 . 1 . . . . 28 Phe CB . 26617 1 27 . 1 1 14 14 PHE N N 15 122.732 0.099 . 1 . . . . 28 Phe N . 26617 1 28 . 1 1 15 15 VAL H H 1 8.078 0.010 . 1 . . . . 29 Val H . 26617 1 29 . 1 1 15 15 VAL C C 13 176.361 0.000 . 1 . . . . 29 Val C . 26617 1 30 . 1 1 15 15 VAL CA C 13 66.880 0.071 . 1 . . . . 29 Val CA . 26617 1 31 . 1 1 15 15 VAL CB C 13 30.551 0.045 . 1 . . . . 29 Val CB . 26617 1 32 . 1 1 15 15 VAL N N 15 119.091 0.061 . 1 . . . . 29 Val N . 26617 1 33 . 1 1 16 16 LEU H H 1 8.609 0.009 . 1 . . . . 30 Leu H . 26617 1 34 . 1 1 16 16 LEU C C 13 177.635 0.000 . 1 . . . . 30 Leu C . 26617 1 35 . 1 1 16 16 LEU CA C 13 57.769 0.105 . 1 . . . . 30 Leu CA . 26617 1 36 . 1 1 16 16 LEU CB C 13 40.884 0.000 . 1 . . . . 30 Leu CB . 26617 1 37 . 1 1 16 16 LEU N N 15 118.271 0.074 . 1 . . . . 30 Leu N . 26617 1 38 . 1 1 17 17 THR H H 1 8.173 0.012 . 1 . . . . 31 Thr H . 26617 1 39 . 1 1 17 17 THR C C 13 179.929 0.000 . 1 . . . . 31 Thr C . 26617 1 40 . 1 1 17 17 THR CA C 13 68.852 0.092 . 1 . . . . 31 Thr CA . 26617 1 41 . 1 1 17 17 THR CB C 13 64.868 0.000 . 1 . . . . 31 Thr CB . 26617 1 42 . 1 1 17 17 THR N N 15 121.774 0.074 . 1 . . . . 31 Thr N . 26617 1 43 . 1 1 18 18 ILE H H 1 7.845 0.012 . 1 . . . . 32 Ile H . 26617 1 44 . 1 1 18 18 ILE C C 13 175.785 0.000 . 1 . . . . 32 Ile C . 26617 1 45 . 1 1 18 18 ILE CA C 13 64.420 0.053 . 1 . . . . 32 Ile CA . 26617 1 46 . 1 1 18 18 ILE CB C 13 35.460 0.034 . 1 . . . . 32 Ile CB . 26617 1 47 . 1 1 18 18 ILE N N 15 121.635 0.090 . 1 . . . . 32 Ile N . 26617 1 48 . 1 1 19 19 LEU H H 1 8.465 0.009 . 1 . . . . 33 Leu H . 26617 1 49 . 1 1 19 19 LEU C C 13 177.910 0.000 . 1 . . . . 33 Leu C . 26617 1 50 . 1 1 19 19 LEU CA C 13 58.128 0.076 . 1 . . . . 33 Leu CA . 26617 1 51 . 1 1 19 19 LEU CB C 13 41.104 0.060 . 1 . . . . 33 Leu CB . 26617 1 52 . 1 1 19 19 LEU N N 15 119.765 0.067 . 1 . . . . 33 Leu N . 26617 1 53 . 1 1 20 20 THR H H 1 8.321 0.012 . 1 . . . . 34 Thr H . 26617 1 54 . 1 1 20 20 THR C C 13 179.565 0.000 . 1 . . . . 34 Thr C . 26617 1 55 . 1 1 20 20 THR CA C 13 68.293 0.177 . 1 . . . . 34 Thr CA . 26617 1 56 . 1 1 20 20 THR CB C 13 67.162 0.000 . 1 . . . . 34 Thr CB . 26617 1 57 . 1 1 20 20 THR N N 15 120.465 0.106 . 1 . . . . 34 Thr N . 26617 1 58 . 1 1 21 21 LEU H H 1 8.492 0.012 . 1 . . . . 35 Leu H . 26617 1 59 . 1 1 21 21 LEU C C 13 178.733 0.000 . 1 . . . . 35 Leu C . 26617 1 60 . 1 1 21 21 LEU CA C 13 58.039 0.066 . 1 . . . . 35 Leu CA . 26617 1 61 . 1 1 21 21 LEU CB C 13 40.368 0.000 . 1 . . . . 35 Leu CB . 26617 1 62 . 1 1 21 21 LEU N N 15 126.062 0.084 . 1 . . . . 35 Leu N . 26617 1 63 . 1 1 22 22 ILE H H 1 8.975 0.010 . 1 . . . . 36 Ile H . 26617 1 64 . 1 1 22 22 ILE C C 13 180.044 0.000 . 1 . . . . 36 Ile C . 26617 1 65 . 1 1 22 22 ILE CA C 13 65.191 0.133 . 1 . . . . 36 Ile CA . 26617 1 66 . 1 1 22 22 ILE CB C 13 36.375 0.000 . 1 . . . . 36 Ile CB . 26617 1 67 . 1 1 22 22 ILE N N 15 122.887 0.099 . 1 . . . . 36 Ile N . 26617 1 68 . 1 1 23 23 SER H H 1 8.132 0.011 . 1 . . . . 37 Ser H . 26617 1 69 . 1 1 23 23 SER C C 13 176.798 0.000 . 1 . . . . 37 Ser C . 26617 1 70 . 1 1 23 23 SER CA C 13 63.885 0.044 . 1 . . . . 37 Ser CA . 26617 1 71 . 1 1 23 23 SER CB C 13 62.511 0.000 . 1 . . . . 37 Ser CB . 26617 1 72 . 1 1 23 23 SER N N 15 117.293 0.101 . 1 . . . . 37 Ser N . 26617 1 73 . 1 1 24 24 GLY H H 1 7.640 0.023 . 1 . . . . 38 Gly H . 26617 1 74 . 1 1 24 24 GLY C C 13 175.413 0.000 . 1 . . . . 38 Gly C . 26617 1 75 . 1 1 24 24 GLY CA C 13 46.858 0.015 . 1 . . . . 38 Gly CA . 26617 1 76 . 1 1 24 24 GLY N N 15 107.746 0.077 . 1 . . . . 38 Gly N . 26617 1 77 . 1 1 25 25 THR H H 1 8.104 0.017 . 1 . . . . 39 Thr H . 26617 1 78 . 1 1 25 25 THR CA C 13 54.362 0.000 . 1 . . . . 39 Thr CA . 26617 1 79 . 1 1 25 25 THR N N 15 118.371 0.081 . 1 . . . . 39 Thr N . 26617 1 80 . 1 1 26 26 ILE H H 1 8.276 0.007 . 1 . . . . 40 Ile H . 26617 1 81 . 1 1 26 26 ILE C C 13 176.728 0.000 . 1 . . . . 40 Ile C . 26617 1 82 . 1 1 26 26 ILE CA C 13 64.973 0.092 . 1 . . . . 40 Ile CA . 26617 1 83 . 1 1 26 26 ILE CB C 13 37.021 0.034 . 1 . . . . 40 Ile CB . 26617 1 84 . 1 1 26 26 ILE N N 15 120.347 0.091 . 1 . . . . 40 Ile N . 26617 1 85 . 1 1 27 27 PHE H H 1 8.101 0.009 . 1 . . . . 41 Phe H . 26617 1 86 . 1 1 27 27 PHE C C 13 177.517 0.000 . 1 . . . . 41 Phe C . 26617 1 87 . 1 1 27 27 PHE CA C 13 62.992 0.069 . 1 . . . . 41 Phe CA . 26617 1 88 . 1 1 27 27 PHE CB C 13 38.620 0.030 . 1 . . . . 41 Phe CB . 26617 1 89 . 1 1 27 27 PHE N N 15 122.300 0.095 . 1 . . . . 41 Phe N . 26617 1 90 . 1 1 28 28 TYR H H 1 9.003 0.010 . 1 . . . . 42 Tyr H . 26617 1 91 . 1 1 28 28 TYR C C 13 176.572 0.000 . 1 . . . . 42 Tyr C . 26617 1 92 . 1 1 28 28 TYR CA C 13 62.638 0.101 . 1 . . . . 42 Tyr CA . 26617 1 93 . 1 1 28 28 TYR N N 15 116.602 0.176 . 1 . . . . 42 Tyr N . 26617 1 94 . 1 1 29 29 SER H H 1 7.753 0.014 . 1 . . . . 43 Ser H . 26617 1 95 . 1 1 29 29 SER C C 13 178.261 0.000 . 1 . . . . 43 Ser C . 26617 1 96 . 1 1 29 29 SER CA C 13 60.872 0.124 . 1 . . . . 43 Ser CA . 26617 1 97 . 1 1 29 29 SER CB C 13 63.877 0.084 . 1 . . . . 43 Ser CB . 26617 1 98 . 1 1 29 29 SER N N 15 114.480 0.067 . 1 . . . . 43 Ser N . 26617 1 99 . 1 1 30 30 THR H H 1 7.371 0.010 . 1 . . . . 44 Thr H . 26617 1 100 . 1 1 30 30 THR C C 13 175.267 0.000 . 1 . . . . 44 Thr C . 26617 1 101 . 1 1 30 30 THR CA C 13 64.673 0.071 . 1 . . . . 44 Thr CA . 26617 1 102 . 1 1 30 30 THR CB C 13 68.805 0.075 . 1 . . . . 44 Thr CB . 26617 1 103 . 1 1 30 30 THR N N 15 113.479 0.080 . 1 . . . . 44 Thr N . 26617 1 104 . 1 1 31 31 VAL H H 1 8.142 0.007 . 1 . . . . 45 Val H . 26617 1 105 . 1 1 31 31 VAL CA C 13 65.050 0.129 . 1 . . . . 45 Val CA . 26617 1 106 . 1 1 31 31 VAL CB C 13 30.985 0.000 . 1 . . . . 45 Val CB . 26617 1 107 . 1 1 31 31 VAL N N 15 120.515 0.069 . 1 . . . . 45 Val N . 26617 1 108 . 1 1 32 32 GLU H H 1 6.401 0.012 . 1 . . . . 46 Glu H . 26617 1 109 . 1 1 32 32 GLU C C 13 176.263 0.000 . 1 . . . . 46 Glu C . 26617 1 110 . 1 1 32 32 GLU CA C 13 55.500 0.067 . 1 . . . . 46 Glu CA . 26617 1 111 . 1 1 32 32 GLU CB C 13 29.282 0.000 . 1 . . . . 46 Glu CB . 26617 1 112 . 1 1 32 32 GLU N N 15 112.811 0.097 . 1 . . . . 46 Glu N . 26617 1 113 . 1 1 33 33 GLY H H 1 6.705 0.012 . 1 . . . . 47 Gly H . 26617 1 114 . 1 1 33 33 GLY C C 13 176.727 0.000 . 1 . . . . 47 Gly C . 26617 1 115 . 1 1 33 33 GLY CA C 13 46.361 0.071 . 1 . . . . 47 Gly CA . 26617 1 116 . 1 1 33 33 GLY N N 15 105.969 0.086 . 1 . . . . 47 Gly N . 26617 1 117 . 1 1 34 34 LEU H H 1 7.097 0.009 . 1 . . . . 48 Leu H . 26617 1 118 . 1 1 34 34 LEU C C 13 173.992 0.000 . 1 . . . . 48 Leu C . 26617 1 119 . 1 1 34 34 LEU CA C 13 54.061 0.078 . 1 . . . . 48 Leu CA . 26617 1 120 . 1 1 34 34 LEU CB C 13 42.446 0.073 . 1 . . . . 48 Leu CB . 26617 1 121 . 1 1 34 34 LEU N N 15 119.303 0.111 . 1 . . . . 48 Leu N . 26617 1 122 . 1 1 35 35 ARG H H 1 8.903 0.014 . 1 . . . . 49 Arg H . 26617 1 123 . 1 1 35 35 ARG C C 13 177.448 0.000 . 1 . . . . 49 Arg C . 26617 1 124 . 1 1 35 35 ARG CA C 13 55.148 0.036 . 1 . . . . 49 Arg CA . 26617 1 125 . 1 1 35 35 ARG CB C 13 29.385 0.052 . 1 . . . . 49 Arg CB . 26617 1 126 . 1 1 35 35 ARG N N 15 122.047 0.153 . 1 . . . . 49 Arg N . 26617 1 127 . 1 1 37 37 ILE H H 1 8.420 0.012 . 1 . . . . 51 Ile H . 26617 1 128 . 1 1 37 37 ILE C C 13 177.233 0.000 . 1 . . . . 51 Ile C . 26617 1 129 . 1 1 37 37 ILE CA C 13 63.515 0.076 . 1 . . . . 51 Ile CA . 26617 1 130 . 1 1 37 37 ILE CB C 13 36.652 0.000 . 1 . . . . 51 Ile CB . 26617 1 131 . 1 1 37 37 ILE N N 15 114.764 0.094 . 1 . . . . 51 Ile N . 26617 1 132 . 1 1 38 38 ASP H H 1 6.719 0.013 . 1 . . . . 52 Asp H . 26617 1 133 . 1 1 38 38 ASP C C 13 175.324 0.000 . 1 . . . . 52 Asp C . 26617 1 134 . 1 1 38 38 ASP CA C 13 56.846 0.077 . 1 . . . . 52 Asp CA . 26617 1 135 . 1 1 38 38 ASP CB C 13 40.172 0.094 . 1 . . . . 52 Asp CB . 26617 1 136 . 1 1 38 38 ASP N N 15 123.492 0.104 . 1 . . . . 52 Asp N . 26617 1 137 . 1 1 39 39 ALA H H 1 8.430 0.009 . 1 . . . . 53 Ala H . 26617 1 138 . 1 1 39 39 ALA C C 13 177.535 0.000 . 1 . . . . 53 Ala C . 26617 1 139 . 1 1 39 39 ALA CA C 13 54.437 0.132 . 1 . . . . 53 Ala CA . 26617 1 140 . 1 1 39 39 ALA N N 15 124.463 0.038 . 1 . . . . 53 Ala N . 26617 1 141 . 1 1 40 40 LEU H H 1 8.620 0.013 . 1 . . . . 54 Leu H . 26617 1 142 . 1 1 40 40 LEU C C 13 179.536 0.000 . 1 . . . . 54 Leu C . 26617 1 143 . 1 1 40 40 LEU CA C 13 57.824 0.111 . 1 . . . . 54 Leu CA . 26617 1 144 . 1 1 40 40 LEU CB C 13 39.480 0.000 . 1 . . . . 54 Leu CB . 26617 1 145 . 1 1 40 40 LEU N N 15 123.715 0.084 . 1 . . . . 54 Leu N . 26617 1 146 . 1 1 41 41 TYR H H 1 8.421 0.011 . 1 . . . . 55 Tyr H . 26617 1 147 . 1 1 41 41 TYR C C 13 177.684 0.000 . 1 . . . . 55 Tyr C . 26617 1 148 . 1 1 41 41 TYR CA C 13 63.053 0.076 . 1 . . . . 55 Tyr CA . 26617 1 149 . 1 1 41 41 TYR N N 15 120.407 0.077 . 1 . . . . 55 Tyr N . 26617 1 150 . 1 1 42 42 PHE H H 1 8.895 0.010 . 1 . . . . 56 Phe H . 26617 1 151 . 1 1 42 42 PHE C C 13 176.135 0.000 . 1 . . . . 56 Phe C . 26617 1 152 . 1 1 42 42 PHE CA C 13 61.505 0.066 . 1 . . . . 56 Phe CA . 26617 1 153 . 1 1 42 42 PHE N N 15 118.553 0.129 . 1 . . . . 56 Phe N . 26617 1 154 . 1 1 44 44 VAL H H 1 7.968 0.005 . 1 . . . . 58 Val H . 26617 1 155 . 1 1 44 44 VAL C C 13 174.829 0.000 . 1 . . . . 58 Val C . 26617 1 156 . 1 1 44 44 VAL CA C 13 59.771 0.000 . 1 . . . . 58 Val CA . 26617 1 157 . 1 1 44 44 VAL N N 15 119.000 0.060 . 1 . . . . 58 Val N . 26617 1 158 . 1 1 45 45 VAL H H 1 8.504 0.006 . 1 . . . . 59 Val H . 26617 1 159 . 1 1 45 45 VAL C C 13 178.707 0.000 . 1 . . . . 59 Val C . 26617 1 160 . 1 1 45 45 VAL CA C 13 64.829 0.123 . 1 . . . . 59 Val CA . 26617 1 161 . 1 1 45 45 VAL N N 15 114.091 0.096 . 1 . . . . 59 Val N . 26617 1 162 . 1 1 46 46 THR H H 1 7.637 0.003 . 1 . . . . 60 Thr H . 26617 1 163 . 1 1 46 46 THR C C 13 174.863 0.000 . 1 . . . . 60 Thr C . 26617 1 164 . 1 1 46 46 THR CA C 13 64.981 0.000 . 1 . . . . 60 Thr CA . 26617 1 165 . 1 1 46 46 THR N N 15 120.745 0.096 . 1 . . . . 60 Thr N . 26617 1 166 . 1 1 50 50 VAL H H 1 7.446 0.008 . 1 . . . . 64 Val H . 26617 1 167 . 1 1 50 50 VAL C C 13 183.294 0.000 . 1 . . . . 64 Val C . 26617 1 168 . 1 1 50 50 VAL CA C 13 66.013 0.228 . 1 . . . . 64 Val CA . 26617 1 169 . 1 1 50 50 VAL N N 15 124.538 0.159 . 1 . . . . 64 Val N . 26617 1 170 . 1 1 51 51 GLY H H 1 7.616 0.021 . 1 . . . . 65 Gly H . 26617 1 171 . 1 1 51 51 GLY CA C 13 43.848 0.273 . 1 . . . . 65 Gly CA . 26617 1 172 . 1 1 51 51 GLY N N 15 102.155 0.083 . 1 . . . . 65 Gly N . 26617 1 173 . 1 1 52 52 ASP H H 1 8.757 0.026 . 1 . . . . 66 Asp H . 26617 1 174 . 1 1 52 52 ASP C C 13 177.635 0.000 . 1 . . . . 66 Asp C . 26617 1 175 . 1 1 52 52 ASP CA C 13 54.304 0.000 . 1 . . . . 66 Asp CA . 26617 1 176 . 1 1 52 52 ASP N N 15 118.187 0.076 . 1 . . . . 66 Asp N . 26617 1 177 . 1 1 53 53 GLY H H 1 8.692 0.006 . 1 . . . . 67 Gly H . 26617 1 178 . 1 1 53 53 GLY C C 13 176.477 0.000 . 1 . . . . 67 Gly C . 26617 1 179 . 1 1 53 53 GLY CA C 13 46.058 0.068 . 1 . . . . 67 Gly CA . 26617 1 180 . 1 1 53 53 GLY N N 15 112.368 0.036 . 1 . . . . 67 Gly N . 26617 1 181 . 1 1 55 55 PHE H H 1 7.998 0.019 . 1 . . . . 69 Phe H . 26617 1 182 . 1 1 55 55 PHE C C 13 176.324 0.000 . 1 . . . . 69 Phe C . 26617 1 183 . 1 1 55 55 PHE CA C 13 57.711 0.028 . 1 . . . . 69 Phe CA . 26617 1 184 . 1 1 55 55 PHE CB C 13 40.740 0.086 . 1 . . . . 69 Phe CB . 26617 1 185 . 1 1 55 55 PHE N N 15 120.732 0.131 . 1 . . . . 69 Phe N . 26617 1 186 . 1 1 56 56 SER H H 1 6.465 0.006 . 1 . . . . 70 Ser H . 26617 1 187 . 1 1 56 56 SER C C 13 184.399 0.000 . 1 . . . . 70 Ser C . 26617 1 188 . 1 1 56 56 SER CA C 13 55.850 0.062 . 1 . . . . 70 Ser CA . 26617 1 189 . 1 1 56 56 SER CB C 13 63.618 0.000 . 1 . . . . 70 Ser CB . 26617 1 190 . 1 1 56 56 SER N N 15 117.945 0.240 . 1 . . . . 70 Ser N . 26617 1 191 . 1 1 59 59 THR H H 1 9.513 0.024 . 1 . . . . 73 Thr H . 26617 1 192 . 1 1 59 59 THR C C 13 177.578 0.000 . 1 . . . . 73 Thr C . 26617 1 193 . 1 1 59 59 THR CA C 13 60.437 0.086 . 1 . . . . 73 Thr CA . 26617 1 194 . 1 1 59 59 THR CB C 13 71.464 0.071 . 1 . . . . 73 Thr CB . 26617 1 195 . 1 1 59 59 THR N N 15 115.445 0.153 . 1 . . . . 73 Thr N . 26617 1 196 . 1 1 60 60 ASP H H 1 8.891 0.015 . 1 . . . . 74 Asp H . 26617 1 197 . 1 1 60 60 ASP C C 13 175.197 0.000 . 1 . . . . 74 Asp C . 26617 1 198 . 1 1 60 60 ASP CA C 13 58.014 0.062 . 1 . . . . 74 Asp CA . 26617 1 199 . 1 1 60 60 ASP N N 15 125.244 0.223 . 1 . . . . 74 Asp N . 26617 1 200 . 1 1 61 61 PHE H H 1 8.591 0.011 . 1 . . . . 75 Phe H . 26617 1 201 . 1 1 61 61 PHE C C 13 178.799 0.000 . 1 . . . . 75 Phe C . 26617 1 202 . 1 1 61 61 PHE CA C 13 58.963 0.073 . 1 . . . . 75 Phe CA . 26617 1 203 . 1 1 61 61 PHE CB C 13 38.425 0.000 . 1 . . . . 75 Phe CB . 26617 1 204 . 1 1 61 61 PHE N N 15 118.959 0.076 . 1 . . . . 75 Phe N . 26617 1 205 . 1 1 62 62 GLY H H 1 8.939 0.012 . 1 . . . . 76 Gly H . 26617 1 206 . 1 1 62 62 GLY C C 13 177.516 0.000 . 1 . . . . 76 Gly C . 26617 1 207 . 1 1 62 62 GLY CA C 13 46.731 0.094 . 1 . . . . 76 Gly CA . 26617 1 208 . 1 1 62 62 GLY N N 15 108.625 0.109 . 1 . . . . 76 Gly N . 26617 1 209 . 1 1 63 63 LYS H H 1 8.494 0.017 . 1 . . . . 77 Lys H . 26617 1 210 . 1 1 63 63 LYS C C 13 177.779 0.000 . 1 . . . . 77 Lys C . 26617 1 211 . 1 1 63 63 LYS CA C 13 61.172 0.054 . 1 . . . . 77 Lys CA . 26617 1 212 . 1 1 63 63 LYS CB C 13 32.570 0.028 . 1 . . . . 77 Lys CB . 26617 1 213 . 1 1 63 63 LYS N N 15 127.045 0.094 . 1 . . . . 77 Lys N . 26617 1 214 . 1 1 64 64 ILE H H 1 8.180 0.012 . 1 . . . . 78 Ile H . 26617 1 215 . 1 1 64 64 ILE CA C 13 64.335 0.087 . 1 . . . . 78 Ile CA . 26617 1 216 . 1 1 64 64 ILE CB C 13 36.465 0.000 . 1 . . . . 78 Ile CB . 26617 1 217 . 1 1 64 64 ILE N N 15 118.780 0.134 . 1 . . . . 78 Ile N . 26617 1 218 . 1 1 65 65 PHE H H 1 8.923 0.013 . 1 . . . . 79 Phe H . 26617 1 219 . 1 1 65 65 PHE C C 13 177.178 0.000 . 1 . . . . 79 Phe C . 26617 1 220 . 1 1 65 65 PHE CA C 13 62.165 0.100 . 1 . . . . 79 Phe CA . 26617 1 221 . 1 1 65 65 PHE N N 15 119.166 0.072 . 1 . . . . 79 Phe N . 26617 1 222 . 1 1 68 68 LEU H H 1 7.085 0.009 . 1 . . . . 82 Leu H . 26617 1 223 . 1 1 68 68 LEU C C 13 175.586 0.000 . 1 . . . . 82 Leu C . 26617 1 224 . 1 1 68 68 LEU CA C 13 57.885 0.029 . 1 . . . . 82 Leu CA . 26617 1 225 . 1 1 68 68 LEU CB C 13 41.093 0.000 . 1 . . . . 82 Leu CB . 26617 1 226 . 1 1 68 68 LEU N N 15 117.501 0.077 . 1 . . . . 82 Leu N . 26617 1 227 . 1 1 69 69 TYR H H 1 8.751 0.009 . 1 . . . . 83 Tyr H . 26617 1 228 . 1 1 69 69 TYR C C 13 176.563 0.000 . 1 . . . . 83 Tyr C . 26617 1 229 . 1 1 69 69 TYR CA C 13 60.023 0.196 . 1 . . . . 83 Tyr CA . 26617 1 230 . 1 1 69 69 TYR N N 15 120.168 0.048 . 1 . . . . 83 Tyr N . 26617 1 231 . 1 1 70 70 ILE H H 1 8.148 0.004 . 1 . . . . 84 Ile H . 26617 1 232 . 1 1 70 70 ILE C C 13 177.378 0.000 . 1 . . . . 84 Ile C . 26617 1 233 . 1 1 70 70 ILE CA C 13 65.362 0.117 . 1 . . . . 84 Ile CA . 26617 1 234 . 1 1 70 70 ILE N N 15 117.079 0.174 . 1 . . . . 84 Ile N . 26617 1 235 . 1 1 71 71 PHE H H 1 7.186 0.016 . 1 . . . . 85 Phe H . 26617 1 236 . 1 1 71 71 PHE C C 13 176.659 0.000 . 1 . . . . 85 Phe C . 26617 1 237 . 1 1 71 71 PHE CA C 13 62.782 0.061 . 1 . . . . 85 Phe CA . 26617 1 238 . 1 1 71 71 PHE CB C 13 38.853 0.000 . 1 . . . . 85 Phe CB . 26617 1 239 . 1 1 71 71 PHE N N 15 115.073 0.111 . 1 . . . . 85 Phe N . 26617 1 240 . 1 1 72 72 ILE H H 1 7.816 0.008 . 1 . . . . 86 Ile H . 26617 1 241 . 1 1 72 72 ILE C C 13 176.581 0.000 . 1 . . . . 86 Ile C . 26617 1 242 . 1 1 72 72 ILE CA C 13 62.215 0.270 . 1 . . . . 86 Ile CA . 26617 1 243 . 1 1 72 72 ILE CB C 13 38.110 0.000 . 1 . . . . 86 Ile CB . 26617 1 244 . 1 1 72 72 ILE N N 15 112.915 0.115 . 1 . . . . 86 Ile N . 26617 1 245 . 1 1 73 73 GLY H H 1 8.451 0.011 . 1 . . . . 87 Gly H . 26617 1 246 . 1 1 73 73 GLY C C 13 176.918 0.000 . 1 . . . . 87 Gly C . 26617 1 247 . 1 1 73 73 GLY CA C 13 46.631 0.105 . 1 . . . . 87 Gly CA . 26617 1 248 . 1 1 73 73 GLY N N 15 107.929 0.107 . 1 . . . . 87 Gly N . 26617 1 249 . 1 1 74 74 ILE H H 1 8.227 0.024 . 1 . . . . 88 Ile H . 26617 1 250 . 1 1 74 74 ILE C C 13 175.553 0.000 . 1 . . . . 88 Ile C . 26617 1 251 . 1 1 74 74 ILE CA C 13 66.113 0.088 . 1 . . . . 88 Ile CA . 26617 1 252 . 1 1 74 74 ILE CB C 13 37.480 0.000 . 1 . . . . 88 Ile CB . 26617 1 253 . 1 1 74 74 ILE N N 15 122.111 0.117 . 1 . . . . 88 Ile N . 26617 1 254 . 1 1 75 75 GLY H H 1 8.005 0.011 . 1 . . . . 89 Gly H . 26617 1 255 . 1 1 75 75 GLY C C 13 177.467 0.000 . 1 . . . . 89 Gly C . 26617 1 256 . 1 1 75 75 GLY CA C 13 46.610 0.077 . 1 . . . . 89 Gly CA . 26617 1 257 . 1 1 75 75 GLY N N 15 105.882 0.078 . 1 . . . . 89 Gly N . 26617 1 258 . 1 1 76 76 LEU H H 1 6.882 0.010 . 1 . . . . 90 Leu H . 26617 1 259 . 1 1 76 76 LEU C C 13 175.474 0.000 . 1 . . . . 90 Leu C . 26617 1 260 . 1 1 76 76 LEU CA C 13 57.260 0.084 . 1 . . . . 90 Leu CA . 26617 1 261 . 1 1 76 76 LEU CB C 13 41.277 0.092 . 1 . . . . 90 Leu CB . 26617 1 262 . 1 1 76 76 LEU N N 15 119.836 0.101 . 1 . . . . 90 Leu N . 26617 1 263 . 1 1 77 77 VAL H H 1 8.134 0.005 . 1 . . . . 91 Val H . 26617 1 264 . 1 1 77 77 VAL CA C 13 66.589 0.057 . 1 . . . . 91 Val CA . 26617 1 265 . 1 1 77 77 VAL CB C 13 30.920 0.000 . 1 . . . . 91 Val CB . 26617 1 266 . 1 1 77 77 VAL N N 15 118.652 0.058 . 1 . . . . 91 Val N . 26617 1 267 . 1 1 78 78 PHE H H 1 8.814 0.008 . 1 . . . . 92 Phe H . 26617 1 268 . 1 1 78 78 PHE C C 13 178.348 0.000 . 1 . . . . 92 Phe C . 26617 1 269 . 1 1 78 78 PHE CA C 13 61.923 0.132 . 1 . . . . 92 Phe CA . 26617 1 270 . 1 1 78 78 PHE CB C 13 37.180 0.081 . 1 . . . . 92 Phe CB . 26617 1 271 . 1 1 78 78 PHE N N 15 118.632 0.118 . 1 . . . . 92 Phe N . 26617 1 272 . 1 1 79 79 GLY H H 1 7.920 0.006 . 1 . . . . 93 Gly H . 26617 1 273 . 1 1 79 79 GLY C C 13 178.422 0.000 . 1 . . . . 93 Gly C . 26617 1 274 . 1 1 79 79 GLY CA C 13 47.275 0.092 . 1 . . . . 93 Gly CA . 26617 1 275 . 1 1 79 79 GLY N N 15 108.670 0.079 . 1 . . . . 93 Gly N . 26617 1 276 . 1 1 80 80 PHE H H 1 8.402 0.007 . 1 . . . . 94 Phe H . 26617 1 277 . 1 1 80 80 PHE C C 13 175.439 0.000 . 1 . . . . 94 Phe C . 26617 1 278 . 1 1 80 80 PHE CA C 13 61.354 0.096 . 1 . . . . 94 Phe CA . 26617 1 279 . 1 1 80 80 PHE CB C 13 39.077 0.147 . 1 . . . . 94 Phe CB . 26617 1 280 . 1 1 80 80 PHE N N 15 123.550 0.122 . 1 . . . . 94 Phe N . 26617 1 281 . 1 1 81 81 ILE H H 1 8.586 0.008 . 1 . . . . 95 Ile H . 26617 1 282 . 1 1 81 81 ILE C C 13 175.827 0.000 . 1 . . . . 95 Ile C . 26617 1 283 . 1 1 81 81 ILE CA C 13 65.806 0.061 . 1 . . . . 95 Ile CA . 26617 1 284 . 1 1 81 81 ILE CB C 13 37.260 0.036 . 1 . . . . 95 Ile CB . 26617 1 285 . 1 1 81 81 ILE N N 15 120.347 0.090 . 1 . . . . 95 Ile N . 26617 1 286 . 1 1 82 82 HIS H H 1 8.427 0.008 . 1 . . . . 96 His H . 26617 1 287 . 1 1 82 82 HIS C C 13 177.583 0.000 . 1 . . . . 96 His C . 26617 1 288 . 1 1 82 82 HIS CA C 13 59.885 0.110 . 1 . . . . 96 His CA . 26617 1 289 . 1 1 82 82 HIS CB C 13 29.805 0.027 . 1 . . . . 96 His CB . 26617 1 290 . 1 1 82 82 HIS N N 15 118.935 0.130 . 1 . . . . 96 His N . 26617 1 291 . 1 1 83 83 LYS H H 1 7.684 0.010 . 1 . . . . 97 Lys H . 26617 1 292 . 1 1 83 83 LYS C C 13 176.341 0.000 . 1 . . . . 97 Lys C . 26617 1 293 . 1 1 83 83 LYS CA C 13 57.417 0.073 . 1 . . . . 97 Lys CA . 26617 1 294 . 1 1 83 83 LYS CB C 13 31.307 0.074 . 1 . . . . 97 Lys CB . 26617 1 295 . 1 1 83 83 LYS N N 15 117.496 0.138 . 1 . . . . 97 Lys N . 26617 1 296 . 1 1 84 84 LEU H H 1 8.260 0.021 . 1 . . . . 98 Leu H . 26617 1 297 . 1 1 84 84 LEU C C 13 178.397 0.000 . 1 . . . . 98 Leu C . 26617 1 298 . 1 1 84 84 LEU CA C 13 57.755 0.063 . 1 . . . . 98 Leu CA . 26617 1 299 . 1 1 84 84 LEU CB C 13 40.903 0.195 . 1 . . . . 98 Leu CB . 26617 1 300 . 1 1 84 84 LEU N N 15 121.170 0.075 . 1 . . . . 98 Leu N . 26617 1 301 . 1 1 85 85 ALA H H 1 7.928 0.016 . 1 . . . . 99 Ala H . 26617 1 302 . 1 1 85 85 ALA C C 13 177.586 0.000 . 1 . . . . 99 Ala C . 26617 1 303 . 1 1 85 85 ALA CA C 13 54.562 0.064 . 1 . . . . 99 Ala CA . 26617 1 304 . 1 1 85 85 ALA CB C 13 17.487 0.060 . 1 . . . . 99 Ala CB . 26617 1 305 . 1 1 85 85 ALA N N 15 120.204 0.063 . 1 . . . . 99 Ala N . 26617 1 306 . 1 1 86 86 VAL H H 1 7.726 0.024 . 1 . . . . 100 Val H . 26617 1 307 . 1 1 86 86 VAL C C 13 179.061 0.000 . 1 . . . . 100 Val C . 26617 1 308 . 1 1 86 86 VAL CA C 13 64.048 0.058 . 1 . . . . 100 Val CA . 26617 1 309 . 1 1 86 86 VAL CB C 13 31.256 0.061 . 1 . . . . 100 Val CB . 26617 1 310 . 1 1 86 86 VAL N N 15 112.643 0.139 . 1 . . . . 100 Val N . 26617 1 311 . 1 1 87 87 ASN H H 1 7.800 0.015 . 1 . . . . 101 Asn H . 26617 1 312 . 1 1 87 87 ASN C C 13 176.603 0.000 . 1 . . . . 101 Asn C . 26617 1 313 . 1 1 87 87 ASN CA C 13 54.506 0.082 . 1 . . . . 101 Asn CA . 26617 1 314 . 1 1 87 87 ASN CB C 13 39.345 0.137 . 1 . . . . 101 Asn CB . 26617 1 315 . 1 1 87 87 ASN N N 15 117.331 0.132 . 1 . . . . 101 Asn N . 26617 1 316 . 1 1 88 88 VAL H H 1 7.340 0.009 . 1 . . . . 102 Val H . 26617 1 317 . 1 1 88 88 VAL C C 13 175.064 0.000 . 1 . . . . 102 Val C . 26617 1 318 . 1 1 88 88 VAL CA C 13 63.035 0.074 . 1 . . . . 102 Val CA . 26617 1 319 . 1 1 88 88 VAL CB C 13 31.611 0.113 . 1 . . . . 102 Val CB . 26617 1 320 . 1 1 88 88 VAL N N 15 117.655 0.111 . 1 . . . . 102 Val N . 26617 1 321 . 1 1 89 89 GLN H H 1 7.887 0.022 . 1 . . . . 103 Gln H . 26617 1 322 . 1 1 89 89 GLN C C 13 174.809 0.000 . 1 . . . . 103 Gln C . 26617 1 323 . 1 1 89 89 GLN CA C 13 56.418 0.091 . 1 . . . . 103 Gln CA . 26617 1 324 . 1 1 89 89 GLN CB C 13 29.040 0.092 . 1 . . . . 103 Gln CB . 26617 1 325 . 1 1 89 89 GLN N N 15 120.088 0.085 . 1 . . . . 103 Gln N . 26617 1 326 . 1 1 90 90 LEU H H 1 8.157 0.013 . 1 . . . . 104 Leu H . 26617 1 327 . 1 1 90 90 LEU C C 13 175.494 0.000 . 1 . . . . 104 Leu C . 26617 1 328 . 1 1 90 90 LEU CA C 13 55.492 0.074 . 1 . . . . 104 Leu CA . 26617 1 329 . 1 1 90 90 LEU CB C 13 39.903 0.092 . 1 . . . . 104 Leu CB . 26617 1 330 . 1 1 90 90 LEU N N 15 121.154 0.120 . 1 . . . . 104 Leu N . 26617 1 331 . 1 1 92 92 SER H H 1 7.834 0.042 . 1 . . . . 106 Ser H . 26617 1 332 . 1 1 92 92 SER C C 13 175.800 0.000 . 1 . . . . 106 Ser C . 26617 1 333 . 1 1 92 92 SER N N 15 113.616 0.079 . 1 . . . . 106 Ser N . 26617 1 334 . 1 1 93 93 ILE H H 1 7.635 0.007 . 1 . . . . 107 Ile H . 26617 1 335 . 1 1 93 93 ILE C C 13 174.858 0.000 . 1 . . . . 107 Ile C . 26617 1 336 . 1 1 93 93 ILE CA C 13 61.923 0.068 . 1 . . . . 107 Ile CA . 26617 1 337 . 1 1 93 93 ILE CB C 13 38.093 0.046 . 1 . . . . 107 Ile CB . 26617 1 338 . 1 1 93 93 ILE N N 15 119.159 0.131 . 1 . . . . 107 Ile N . 26617 1 339 . 1 1 94 94 LEU H H 1 7.706 0.008 . 1 . . . . 108 Leu H . 26617 1 340 . 1 1 94 94 LEU C C 13 175.256 0.000 . 1 . . . . 108 Leu C . 26617 1 341 . 1 1 94 94 LEU CA C 13 54.586 0.096 . 1 . . . . 108 Leu CA . 26617 1 342 . 1 1 94 94 LEU CB C 13 41.589 0.063 . 1 . . . . 108 Leu CB . 26617 1 343 . 1 1 94 94 LEU N N 15 120.215 0.127 . 1 . . . . 108 Leu N . 26617 1 344 . 1 1 95 95 SER H H 1 7.690 0.010 . 1 . . . . 109 Ser H . 26617 1 345 . 1 1 95 95 SER HA H 1 4.350 0.000 . 1 . . . . 109 Ser HA . 26617 1 346 . 1 1 95 95 SER C C 13 176.261 0.000 . 1 . . . . 109 Ser C . 26617 1 347 . 1 1 95 95 SER CA C 13 58.149 0.094 . 1 . . . . 109 Ser CA . 26617 1 348 . 1 1 95 95 SER CB C 13 64.072 0.038 . 1 . . . . 109 Ser CB . 26617 1 349 . 1 1 95 95 SER N N 15 115.081 0.117 . 1 . . . . 109 Ser N . 26617 1 350 . 1 1 96 96 ASN H H 1 7.774 0.009 . 1 . . . . 110 Asn H . 26617 1 351 . 1 1 96 96 ASN HA H 1 4.353 0.000 . 1 . . . . 110 Asn HA . 26617 1 352 . 1 1 96 96 ASN C C 13 173.097 0.000 . 1 . . . . 110 Asn C . 26617 1 353 . 1 1 96 96 ASN CA C 13 54.808 0.063 . 1 . . . . 110 Asn CA . 26617 1 354 . 1 1 96 96 ASN CB C 13 40.313 0.031 . 1 . . . . 110 Asn CB . 26617 1 355 . 1 1 96 96 ASN N N 15 126.137 0.114 . 1 . . . . 110 Asn N . 26617 1 stop_ save_