data_27772 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27772 _Entry.Title ; 1H, 15N,13C assignments of the Solanum tuberosum Plant Specific Insert at pH 2.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-01 _Entry.Accession_date 2019-02-01 _Entry.Last_release_date 2019-02-01 _Entry.Original_release_date 2019-02-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Jingxin Tian . J. . . 27772 2 Rickey Yada . Y. . . 27772 3 Shenlin Wang . . . . 27772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 27772 '15N chemical shifts' 90 27772 '1H chemical shifts' 90 27772 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 . . 2020-07-09 . original BMRB . 27772 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27771 'Solanum tuberosum Plant Specific Insert at pH 7.0' 27772 PDB 3RFI 'Crystal structure of the dimeric form of this protein' 27772 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27772 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Insights into the mechanism of membrane fusion induced by the plant defense element, Plant Specific Insert ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2020 _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 Xiaoli Zhao . . . . 27772 1 2 Jenny Tian . . . . 27772 1 3 Hua Yu . . . . 27772 1 4 Brian Bryksa . C. . . 27772 1 5 John Dupuis . H. . . 27772 1 6 Xiuyuan Ou . . . . 27772 1 7 Zhaohui Qian . . . . 27772 1 8 Chen Song . . . . 27772 1 9 Shenlin Wang . . . . 27772 1 10 Rickey Yada . Y. . . 27772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27772 _Assembly.ID 1 _Assembly.Name PSI _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 PSI 1 $PSI A . yes native no no . . . 27772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PSI _Entity.Sf_category entity _Entity.Sf_framecode PSI _Entity.Entry_ID 27772 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PSI _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 ; GSAMAIVSMECKTIVSQYGE MIWDLLVSGVRPDQVCSQAG LCFVDGAQHVSSNIKTVVER ETEGSSVGEAPLCTACEMAV VWMQNQLKQEGTKEKVLEYV NQLCEKIP ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . GLY . 27772 1 2 . SER . 27772 1 3 . ALA . 27772 1 4 . MET . 27772 1 5 . ALA . 27772 1 6 . ILE . 27772 1 7 . VAL . 27772 1 8 . SER . 27772 1 9 . MET . 27772 1 10 . GLU . 27772 1 11 . CYS . 27772 1 12 . LYS . 27772 1 13 . THR . 27772 1 14 . ILE . 27772 1 15 . VAL . 27772 1 16 . SER . 27772 1 17 . GLN . 27772 1 18 . TYR . 27772 1 19 . GLY . 27772 1 20 . GLU . 27772 1 21 . MET . 27772 1 22 . ILE . 27772 1 23 . TRP . 27772 1 24 . ASP . 27772 1 25 . LEU . 27772 1 26 . LEU . 27772 1 27 . VAL . 27772 1 28 . SER . 27772 1 29 . GLY . 27772 1 30 . VAL . 27772 1 31 . ARG . 27772 1 32 . PRO . 27772 1 33 . ASP . 27772 1 34 . GLN . 27772 1 35 . VAL . 27772 1 36 . CYS . 27772 1 37 . SER . 27772 1 38 . GLN . 27772 1 39 . ALA . 27772 1 40 . GLY . 27772 1 41 . LEU . 27772 1 42 . CYS . 27772 1 43 . PHE . 27772 1 44 . VAL . 27772 1 45 . ASP . 27772 1 46 . GLY . 27772 1 47 . ALA . 27772 1 48 . GLN . 27772 1 49 . HIS . 27772 1 50 . VAL . 27772 1 51 . SER . 27772 1 52 . SER . 27772 1 53 . ASN . 27772 1 54 . ILE . 27772 1 55 . LYS . 27772 1 56 . THR . 27772 1 57 . VAL . 27772 1 58 . VAL . 27772 1 59 . GLU . 27772 1 60 . ARG . 27772 1 61 . GLU . 27772 1 62 . THR . 27772 1 63 . GLU . 27772 1 64 . GLY . 27772 1 65 . SER . 27772 1 66 . SER . 27772 1 67 . VAL . 27772 1 68 . GLY . 27772 1 69 . GLU . 27772 1 70 . ALA . 27772 1 71 . PRO . 27772 1 72 . LEU . 27772 1 73 . CYS . 27772 1 74 . THR . 27772 1 75 . ALA . 27772 1 76 . CYS . 27772 1 77 . GLU . 27772 1 78 . MET . 27772 1 79 . ALA . 27772 1 80 . VAL . 27772 1 81 . VAL . 27772 1 82 . TRP . 27772 1 83 . MET . 27772 1 84 . GLN . 27772 1 85 . ASN . 27772 1 86 . GLN . 27772 1 87 . LEU . 27772 1 88 . LYS . 27772 1 89 . GLN . 27772 1 90 . GLU . 27772 1 91 . GLY . 27772 1 92 . THR . 27772 1 93 . LYS . 27772 1 94 . GLU . 27772 1 95 . LYS . 27772 1 96 . VAL . 27772 1 97 . LEU . 27772 1 98 . GLU . 27772 1 99 . TYR . 27772 1 100 . VAL . 27772 1 101 . ASN . 27772 1 102 . GLN . 27772 1 103 . LEU . 27772 1 104 . CYS . 27772 1 105 . GLU . 27772 1 106 . LYS . 27772 1 107 . ILE . 27772 1 108 . PRO . 27772 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 27772 1 . SER 2 2 27772 1 . ALA 3 3 27772 1 . MET 4 4 27772 1 . ALA 5 5 27772 1 . ILE 6 6 27772 1 . VAL 7 7 27772 1 . SER 8 8 27772 1 . MET 9 9 27772 1 . GLU 10 10 27772 1 . CYS 11 11 27772 1 . LYS 12 12 27772 1 . THR 13 13 27772 1 . ILE 14 14 27772 1 . VAL 15 15 27772 1 . SER 16 16 27772 1 . GLN 17 17 27772 1 . TYR 18 18 27772 1 . GLY 19 19 27772 1 . GLU 20 20 27772 1 . MET 21 21 27772 1 . ILE 22 22 27772 1 . TRP 23 23 27772 1 . ASP 24 24 27772 1 . LEU 25 25 27772 1 . LEU 26 26 27772 1 . VAL 27 27 27772 1 . SER 28 28 27772 1 . GLY 29 29 27772 1 . VAL 30 30 27772 1 . ARG 31 31 27772 1 . PRO 32 32 27772 1 . ASP 33 33 27772 1 . GLN 34 34 27772 1 . VAL 35 35 27772 1 . CYS 36 36 27772 1 . SER 37 37 27772 1 . GLN 38 38 27772 1 . ALA 39 39 27772 1 . GLY 40 40 27772 1 . LEU 41 41 27772 1 . CYS 42 42 27772 1 . PHE 43 43 27772 1 . VAL 44 44 27772 1 . ASP 45 45 27772 1 . GLY 46 46 27772 1 . ALA 47 47 27772 1 . GLN 48 48 27772 1 . HIS 49 49 27772 1 . VAL 50 50 27772 1 . SER 51 51 27772 1 . SER 52 52 27772 1 . ASN 53 53 27772 1 . ILE 54 54 27772 1 . LYS 55 55 27772 1 . THR 56 56 27772 1 . VAL 57 57 27772 1 . VAL 58 58 27772 1 . GLU 59 59 27772 1 . ARG 60 60 27772 1 . GLU 61 61 27772 1 . THR 62 62 27772 1 . GLU 63 63 27772 1 . GLY 64 64 27772 1 . SER 65 65 27772 1 . SER 66 66 27772 1 . VAL 67 67 27772 1 . GLY 68 68 27772 1 . GLU 69 69 27772 1 . ALA 70 70 27772 1 . PRO 71 71 27772 1 . LEU 72 72 27772 1 . CYS 73 73 27772 1 . THR 74 74 27772 1 . ALA 75 75 27772 1 . CYS 76 76 27772 1 . GLU 77 77 27772 1 . MET 78 78 27772 1 . ALA 79 79 27772 1 . VAL 80 80 27772 1 . VAL 81 81 27772 1 . TRP 82 82 27772 1 . MET 83 83 27772 1 . GLN 84 84 27772 1 . ASN 85 85 27772 1 . GLN 86 86 27772 1 . LEU 87 87 27772 1 . LYS 88 88 27772 1 . GLN 89 89 27772 1 . GLU 90 90 27772 1 . GLY 91 91 27772 1 . THR 92 92 27772 1 . LYS 93 93 27772 1 . GLU 94 94 27772 1 . LYS 95 95 27772 1 . VAL 96 96 27772 1 . LEU 97 97 27772 1 . GLU 98 98 27772 1 . TYR 99 99 27772 1 . VAL 100 100 27772 1 . ASN 101 101 27772 1 . GLN 102 102 27772 1 . LEU 103 103 27772 1 . CYS 104 104 27772 1 . GLU 105 105 27772 1 . LYS 106 106 27772 1 . ILE 107 107 27772 1 . PRO 108 108 27772 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 27772 _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 $PSI . 4113 organism . 'Solanum tuberosum' potato . . Eukaryota Viridiplantae Solanum tuberosum . . . . . . . . . . . . . 27772 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 27772 _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 $PSI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Rosetta-gami . . . 27772 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27772 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 PSI '[U-100% 13C; U-100% 15N]' . . 1 $PSI . . 0.2 . . mM . . . . 27772 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 27772 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 30 . mM 27772 1 pH 2.0 . pH 27772 1 pressure 1 . atm 27772 1 temperature 298 . K 27772 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27772 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27772 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27772 1 . processing 27772 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27772 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27772 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27772 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27772 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 500 . . . 27772 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 27772 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27772 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27772 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27772 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27772 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27772 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 27772 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27772 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27772 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27772 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 27772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27772 1 2 '3D CBCA(CO)NH' . . . 27772 1 3 '3D HNCO' . . . 27772 1 4 '3D HN(CO)CA' . . . 27772 1 5 '3D HNCA' . . . 27772 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 2 2 SER H H 1 8.578 0 . . . . . . . 2 S H . 27772 1 2 . 1 . 1 2 2 SER C C 13 174.504 0 . . . . . . . 2 S C . 27772 1 3 . 1 . 1 2 2 SER CA C 13 58.105 0 . . . . . . . 2 S CA . 27772 1 4 . 1 . 1 2 2 SER CB C 13 63.931 0 . . . . . . . 2 S CB . 27772 1 5 . 1 . 1 2 2 SER N N 15 115.719 0 . . . . . . . 2 S N . 27772 1 6 . 1 . 1 3 3 ALA H H 1 8.573 0 . . . . . . . 3 A H . 27772 1 7 . 1 . 1 3 3 ALA C C 13 178.336 0 . . . . . . . 3 A C . 27772 1 8 . 1 . 1 3 3 ALA CA C 13 53.202 0 . . . . . . . 3 A CA . 27772 1 9 . 1 . 1 3 3 ALA CB C 13 18.865 0 . . . . . . . 3 A CB . 27772 1 10 . 1 . 1 3 3 ALA N N 15 126.421 0 . . . . . . . 3 A N . 27772 1 11 . 1 . 1 4 4 MET H H 1 8.267 0 . . . . . . . 4 M H . 27772 1 12 . 1 . 1 4 4 MET C C 13 176.594 0 . . . . . . . 4 M C . 27772 1 13 . 1 . 1 4 4 MET CA C 13 55.797 0 . . . . . . . 4 M CA . 27772 1 14 . 1 . 1 4 4 MET CB C 13 32.5 0 . . . . . . . 4 M CB . 27772 1 15 . 1 . 1 4 4 MET N N 15 118.573 0 . . . . . . . 4 M N . 27772 1 16 . 1 . 1 5 5 ALA H H 1 8.139 0 . . . . . . . 5 A H . 27772 1 17 . 1 . 1 5 5 ALA C C 13 177.291 0 . . . . . . . 5 A C . 27772 1 18 . 1 . 1 5 5 ALA CA C 13 53.49 0 . . . . . . . 5 A CA . 27772 1 19 . 1 . 1 5 5 ALA CB C 13 18.688 0 . . . . . . . 5 A CB . 27772 1 20 . 1 . 1 5 5 ALA N N 15 124.546 0 . . . . . . . 5 A N . 27772 1 21 . 1 . 1 6 6 ILE H H 1 7.874 0 . . . . . . . 6 I H . 27772 1 22 . 1 . 1 6 6 ILE C C 13 177.03 0 . . . . . . . 6 I C . 27772 1 23 . 1 . 1 6 6 ILE CA C 13 62.472 0 . . . . . . . 6 I CA . 27772 1 24 . 1 . 1 6 6 ILE CB C 13 38.166 0 . . . . . . . 6 I CB . 27772 1 25 . 1 . 1 6 6 ILE N N 15 119.104 0 . . . . . . . 6 I N . 27772 1 26 . 1 . 1 7 7 VAL H H 1 7.848 0 . . . . . . . 7 V H . 27772 1 27 . 1 . 1 7 7 VAL C C 13 178.075 0 . . . . . . . 7 V C . 27772 1 28 . 1 . 1 7 7 VAL CA C 13 64.779 0 . . . . . . . 7 V CA . 27772 1 29 . 1 . 1 7 7 VAL N N 15 120.859 0 . . . . . . . 7 V N . 27772 1 30 . 1 . 1 8 8 SER H H 1 8.341 0 . . . . . . . 8 S H . 27772 1 31 . 1 . 1 8 8 SER C C 13 176.58 0 . . . . . . . 8 S C . 27772 1 32 . 1 . 1 8 8 SER CA C 13 61.689 0 . . . . . . . 8 S CA . 27772 1 33 . 1 . 1 8 8 SER CB C 13 63.081 0 . . . . . . . 8 S CB . 27772 1 34 . 1 . 1 8 8 SER N N 15 116.53 0 . . . . . . . 8 S N . 27772 1 35 . 1 . 1 9 9 MET H H 1 7.921 0 . . . . . . . 9 M H . 27772 1 36 . 1 . 1 9 9 MET C C 13 179.236 0 . . . . . . . 9 M C . 27772 1 37 . 1 . 1 9 9 MET CA C 13 58.393 0 . . . . . . . 9 M CA . 27772 1 38 . 1 . 1 9 9 MET CB C 13 27.908 0 . . . . . . . 9 M CB . 27772 1 39 . 1 . 1 9 9 MET N N 15 119.743 0 . . . . . . . 9 M N . 27772 1 40 . 1 . 1 10 10 GLU H H 1 8.082 0 . . . . . . . 10 E H . 27772 1 41 . 1 . 1 10 10 GLU CA C 13 57.363 0 . . . . . . . 10 E CA . 27772 1 42 . 1 . 1 10 10 GLU N N 15 119.91 0 . . . . . . . 10 E N . 27772 1 43 . 1 . 1 15 15 VAL H H 1 8.132 0 . . . . . . . 15 V H . 27772 1 44 . 1 . 1 15 15 VAL C C 13 178.162 0 . . . . . . . 15 V C . 27772 1 45 . 1 . 1 15 15 VAL CA C 13 67.459 0 . . . . . . . 15 V CA . 27772 1 46 . 1 . 1 15 15 VAL CB C 13 31.526 0 . . . . . . . 15 V CB . 27772 1 47 . 1 . 1 15 15 VAL N N 15 117.094 0 . . . . . . . 15 V N . 27772 1 48 . 1 . 1 16 16 SER H H 1 8.298 0 . . . . . . . 16 S H . 27772 1 49 . 1 . 1 16 16 SER C C 13 176.202 0 . . . . . . . 16 S C . 27772 1 50 . 1 . 1 16 16 SER CA C 13 61.236 0 . . . . . . . 16 S CA . 27772 1 51 . 1 . 1 16 16 SER CB C 13 63.222 0 . . . . . . . 16 S CB . 27772 1 52 . 1 . 1 16 16 SER N N 15 114.12 0 . . . . . . . 16 S N . 27772 1 53 . 1 . 1 17 17 GLN H H 1 8.429 0 . . . . . . . 17 Q H . 27772 1 54 . 1 . 1 17 17 GLN C C 13 177.509 0 . . . . . . . 17 Q C . 27772 1 55 . 1 . 1 17 17 GLN CA C 13 57.322 0 . . . . . . . 17 Q CA . 27772 1 56 . 1 . 1 17 17 GLN CB C 13 29.401 0 . . . . . . . 17 Q CB . 27772 1 57 . 1 . 1 17 17 GLN N N 15 118.48 0 . . . . . . . 17 Q N . 27772 1 58 . 1 . 1 18 18 TYR H H 1 7.68 0 . . . . . . . 18 Y H . 27772 1 59 . 1 . 1 18 18 TYR C C 13 176.551 0 . . . . . . . 18 Y C . 27772 1 60 . 1 . 1 18 18 TYR CA C 13 57.94 0 . . . . . . . 18 Y CA . 27772 1 61 . 1 . 1 18 18 TYR CB C 13 40 0 . . . . . . . 18 Y CB . 27772 1 62 . 1 . 1 18 18 TYR N N 15 113.907 0 . . . . . . . 18 Y N . 27772 1 63 . 1 . 1 19 19 GLY H H 1 7.52 0 . . . . . . . 19 G H . 27772 1 64 . 1 . 1 19 19 GLY C C 13 174.301 0 . . . . . . . 19 G C . 27772 1 65 . 1 . 1 19 19 GLY CA C 13 49.251 0 . . . . . . . 19 G CA . 27772 1 66 . 1 . 1 19 19 GLY N N 15 110.385 0 . . . . . . . 19 G N . 27772 1 67 . 1 . 1 20 20 GLU H H 1 8.224 0 . . . . . . . 20 E H . 27772 1 68 . 1 . 1 20 20 GLU C C 13 178.801 0 . . . . . . . 20 E C . 27772 1 69 . 1 . 1 20 20 GLU CA C 13 59.833 0 . . . . . . . 20 E CA . 27772 1 70 . 1 . 1 20 20 GLU CB C 13 32.901 0 . . . . . . . 20 E CB . 27772 1 71 . 1 . 1 20 20 GLU N N 15 119.409 0 . . . . . . . 20 E N . 27772 1 72 . 1 . 1 21 21 MET H H 1 7.873 0 . . . . . . . 21 M H . 27772 1 73 . 1 . 1 21 21 MET C C 13 178.583 0 . . . . . . . 21 M C . 27772 1 74 . 1 . 1 21 21 MET CA C 13 58.91 0 . . . . . . . 21 M CA . 27772 1 75 . 1 . 1 21 21 MET CB C 13 32.6 0 . . . . . . . 21 M CB . 27772 1 76 . 1 . 1 21 21 MET N N 15 119.304 0 . . . . . . . 21 M N . 27772 1 77 . 1 . 1 22 22 ILE H H 1 8.676 0 . . . . . . . 22 I H . 27772 1 78 . 1 . 1 22 22 ILE C C 13 176.986 0 . . . . . . . 22 I C . 27772 1 79 . 1 . 1 22 22 ILE CA C 13 65.809 0 . . . . . . . 22 I CA . 27772 1 80 . 1 . 1 22 22 ILE N N 15 118.48 0 . . . . . . . 22 I N . 27772 1 81 . 1 . 1 23 23 TRP H H 1 8.41 0 . . . . . . . 23 W H . 27772 1 82 . 1 . 1 23 23 TRP C C 13 176.928 0 . . . . . . . 23 W C . 27772 1 83 . 1 . 1 23 23 TRP CA C 13 60.285 0 . . . . . . . 23 W CA . 27772 1 84 . 1 . 1 23 23 TRP N N 15 119.844 0 . . . . . . . 23 W N . 27772 1 85 . 1 . 1 24 24 ASP H H 1 8.363 0 . . . . . . . 24 D H . 27772 1 86 . 1 . 1 24 24 ASP CA C 13 56.698 0 . . . . . . . 24 D CA . 27772 1 87 . 1 . 1 24 24 ASP N N 15 115.48 0 . . . . . . . 24 D N . 27772 1 88 . 1 . 1 27 27 VAL H H 1 8.648 0 . . . . . . . 27 V H . 27772 1 89 . 1 . 1 27 27 VAL C C 13 178.017 0 . . . . . . . 27 V C . 27772 1 90 . 1 . 1 27 27 VAL CA C 13 65.48 0 . . . . . . . 27 V CA . 27772 1 91 . 1 . 1 27 27 VAL CB C 13 31.526 0 . . . . . . . 27 V CB . 27772 1 92 . 1 . 1 27 27 VAL N N 15 119.052 0 . . . . . . . 27 V N . 27772 1 93 . 1 . 1 28 28 SER H H 1 7.852 0 . . . . . . . 28 S H . 27772 1 94 . 1 . 1 28 28 SER C C 13 175.114 0 . . . . . . . 28 S C . 27772 1 95 . 1 . 1 28 28 SER CA C 13 59.794 0 . . . . . . . 28 S CA . 27772 1 96 . 1 . 1 28 28 SER CB C 13 63.399 0 . . . . . . . 28 S CB . 27772 1 97 . 1 . 1 28 28 SER N N 15 112.986 0 . . . . . . . 28 S N . 27772 1 98 . 1 . 1 29 29 GLY H H 1 7.481 0 . . . . . . . 29 G H . 27772 1 99 . 1 . 1 29 29 GLY C C 13 173.764 0 . . . . . . . 29 G C . 27772 1 100 . 1 . 1 29 29 GLY CA C 13 45.868 0 . . . . . . . 29 G CA . 27772 1 101 . 1 . 1 29 29 GLY N N 15 107.981 0 . . . . . . . 29 G N . 27772 1 102 . 1 . 1 30 30 VAL H H 1 6.915 0 . . . . . . . 30 V H . 27772 1 103 . 1 . 1 30 30 VAL C C 13 174.867 0 . . . . . . . 30 V C . 27772 1 104 . 1 . 1 30 30 VAL CA C 13 62.184 0 . . . . . . . 30 V CA . 27772 1 105 . 1 . 1 30 30 VAL CB C 13 32.299 0 . . . . . . . 30 V CB . 27772 1 106 . 1 . 1 30 30 VAL N N 15 119.778 0 . . . . . . . 30 V N . 27772 1 107 . 1 . 1 31 31 ARG H H 1 8.524 0 . . . . . . . 31 R H . 27772 1 108 . 1 . 1 31 31 ARG CA C 13 52.543 0 . . . . . . . 31 R CA . 27772 1 109 . 1 . 1 31 31 ARG CB C 13 31.073 0 . . . . . . . 31 R CB . 27772 1 110 . 1 . 1 31 31 ARG N N 15 125.854 0 . . . . . . . 31 R N . 27772 1 111 . 1 . 1 32 32 PRO C C 13 177.082 0 . . . . . . . 32 P C . 27772 1 112 . 1 . 1 32 32 PRO CA C 13 66.139 0 . . . . . . . 32 P CA . 27772 1 113 . 1 . 1 32 32 PRO CB C 13 32.412 0 . . . . . . . 32 P CB . 27772 1 114 . 1 . 1 33 33 ASP H H 1 8.681 0 . . . . . . . 33 D H . 27772 1 115 . 1 . 1 33 33 ASP C C 13 177.756 0 . . . . . . . 33 D C . 27772 1 116 . 1 . 1 33 33 ASP CA C 13 56.415 0 . . . . . . . 33 D CA . 27772 1 117 . 1 . 1 33 33 ASP CB C 13 38.432 0 . . . . . . . 33 D CB . 27772 1 118 . 1 . 1 33 33 ASP N N 15 112.823 0 . . . . . . . 33 D N . 27772 1 119 . 1 . 1 34 34 GLN H H 1 7.224 0 . . . . . . . 34 Q H . 27772 1 120 . 1 . 1 34 34 GLN C C 13 178.147 0 . . . . . . . 34 Q C . 27772 1 121 . 1 . 1 34 34 GLN CA C 13 58.352 0 . . . . . . . 34 Q CA . 27772 1 122 . 1 . 1 34 34 GLN CB C 13 28.693 0 . . . . . . . 34 Q CB . 27772 1 123 . 1 . 1 34 34 GLN N N 15 121.706 0 . . . . . . . 34 Q N . 27772 1 124 . 1 . 1 35 35 VAL H H 1 7.821 0 . . . . . . . 35 V H . 27772 1 125 . 1 . 1 35 35 VAL C C 13 177.901 0 . . . . . . . 35 V C . 27772 1 126 . 1 . 1 35 35 VAL CA C 13 66.427 0 . . . . . . . 35 V CA . 27772 1 127 . 1 . 1 35 35 VAL N N 15 120.026 0 . . . . . . . 35 V N . 27772 1 128 . 1 . 1 36 36 CYS H H 1 8.004 0 . . . . . . . 36 C H . 27772 1 129 . 1 . 1 36 36 CYS C C 13 176.899 0 . . . . . . . 36 C C . 27772 1 130 . 1 . 1 36 36 CYS CA C 13 60.198 0 . . . . . . . 36 C CA . 27772 1 131 . 1 . 1 36 36 CYS CB C 13 43.833 0 . . . . . . . 36 C CB . 27772 1 132 . 1 . 1 36 36 CYS N N 15 113.8 0 . . . . . . . 36 C N . 27772 1 133 . 1 . 1 37 37 SER H H 1 7.947 0 . . . . . . . 37 S H . 27772 1 134 . 1 . 1 37 37 SER C C 13 178.278 0 . . . . . . . 37 S C . 27772 1 135 . 1 . 1 37 37 SER CA C 13 61.236 0 . . . . . . . 37 S CA . 27772 1 136 . 1 . 1 37 37 SER CB C 13 62.249 0 . . . . . . . 37 S CB . 27772 1 137 . 1 . 1 37 37 SER N N 15 117.907 0 . . . . . . . 37 S N . 27772 1 138 . 1 . 1 38 38 GLN H H 1 8.2 0 . . . . . . . 38 Q H . 27772 1 139 . 1 . 1 38 38 GLN C C 13 177.988 0 . . . . . . . 38 Q C . 27772 1 140 . 1 . 1 38 38 GLN CA C 13 59.135 0 . . . . . . . 38 Q CA . 27772 1 141 . 1 . 1 38 38 GLN CB C 13 28.693 0 . . . . . . . 38 Q CB . 27772 1 142 . 1 . 1 38 38 GLN N N 15 124.891 0 . . . . . . . 38 Q N . 27772 1 143 . 1 . 1 39 39 ALA H H 1 7.757 0 . . . . . . . 39 A H . 27772 1 144 . 1 . 1 39 39 ALA C C 13 176.101 0 . . . . . . . 39 A C . 27772 1 145 . 1 . 1 39 39 ALA CA C 13 52.254 0 . . . . . . . 39 A CA . 27772 1 146 . 1 . 1 39 39 ALA CB C 13 18.954 0 . . . . . . . 39 A CB . 27772 1 147 . 1 . 1 39 39 ALA N N 15 118.201 0 . . . . . . . 39 A N . 27772 1 148 . 1 . 1 40 40 GLY H H 1 7.515 0 . . . . . . . 40 G H . 27772 1 149 . 1 . 1 40 40 GLY C C 13 174.17 0 . . . . . . . 40 G C . 27772 1 150 . 1 . 1 40 40 GLY CA C 13 45.085 0 . . . . . . . 40 G CA . 27772 1 151 . 1 . 1 40 40 GLY N N 15 103.847 0 . . . . . . . 40 G N . 27772 1 152 . 1 . 1 41 41 LEU H H 1 7.476 0 . . . . . . . 41 L H . 27772 1 153 . 1 . 1 41 41 LEU C C 13 176.072 0 . . . . . . . 41 L C . 27772 1 154 . 1 . 1 41 41 LEU CA C 13 54.932 0 . . . . . . . 41 L CA . 27772 1 155 . 1 . 1 41 41 LEU CB C 13 42.505 0 . . . . . . . 41 L CB . 27772 1 156 . 1 . 1 41 41 LEU N N 15 116.454 0 . . . . . . . 41 L N . 27772 1 157 . 1 . 1 42 42 CYS H H 1 6.691 0 . . . . . . . 42 C H . 27772 1 158 . 1 . 1 42 42 CYS C C 13 172.893 0 . . . . . . . 42 C C . 27772 1 159 . 1 . 1 42 42 CYS CA C 13 53.985 0 . . . . . . . 42 C CA . 27772 1 160 . 1 . 1 42 42 CYS CB C 13 46.4 0 . . . . . . . 42 C CB . 27772 1 161 . 1 . 1 42 42 CYS N N 15 112.944 0 . . . . . . . 42 C N . 27772 1 162 . 1 . 1 43 43 PHE H H 1 8.458 0 . . . . . . . 43 F H . 27772 1 163 . 1 . 1 43 43 PHE C C 13 175.215 0 . . . . . . . 43 F C . 27772 1 164 . 1 . 1 43 43 PHE CA C 13 56.869 0 . . . . . . . 43 F CA . 27772 1 165 . 1 . 1 43 43 PHE CB C 13 39.494 0 . . . . . . . 43 F CB . 27772 1 166 . 1 . 1 43 43 PHE N N 15 120.895 0 . . . . . . . 43 F N . 27772 1 167 . 1 . 1 44 44 VAL H H 1 8.153 0 . . . . . . . 44 V H . 27772 1 168 . 1 . 1 44 44 VAL C C 13 175.564 0 . . . . . . . 44 V C . 27772 1 169 . 1 . 1 44 44 VAL CA C 13 61.997 0 . . . . . . . 44 V CA . 27772 1 170 . 1 . 1 44 44 VAL CB C 13 32.792 0 . . . . . . . 44 V CB . 27772 1 171 . 1 . 1 44 44 VAL N N 15 121.059 0 . . . . . . . 44 V N . 27772 1 172 . 1 . 1 45 45 ASP H H 1 8.407 0 . . . . . . . 45 D H . 27772 1 173 . 1 . 1 45 45 ASP C C 13 176.159 0 . . . . . . . 45 D C . 27772 1 174 . 1 . 1 45 45 ASP CA C 13 53.696 0 . . . . . . . 45 D CA . 27772 1 175 . 1 . 1 45 45 ASP CB C 13 39.583 0 . . . . . . . 45 D CB . 27772 1 176 . 1 . 1 45 45 ASP N N 15 123.181 0 . . . . . . . 45 D N . 27772 1 177 . 1 . 1 46 46 GLY H H 1 8.303 0 . . . . . . . 46 G H . 27772 1 178 . 1 . 1 46 46 GLY C C 13 174.04 0 . . . . . . . 46 G C . 27772 1 179 . 1 . 1 46 46 GLY CA C 13 45.338 0 . . . . . . . 46 G CA . 27772 1 180 . 1 . 1 46 46 GLY N N 15 109.779 0 . . . . . . . 46 G N . 27772 1 181 . 1 . 1 47 47 ALA H H 1 7.985 0 . . . . . . . 47 A H . 27772 1 182 . 1 . 1 47 47 ALA C C 13 177.552 0 . . . . . . . 47 A C . 27772 1 183 . 1 . 1 47 47 ALA CA C 13 52.419 0 . . . . . . . 47 A CA . 27772 1 184 . 1 . 1 47 47 ALA CB C 13 19.22 0 . . . . . . . 47 A CB . 27772 1 185 . 1 . 1 47 47 ALA N N 15 123.11 0 . . . . . . . 47 A N . 27772 1 186 . 1 . 1 48 48 GLN H H 1 8.144 0 . . . . . . . 48 Q H . 27772 1 187 . 1 . 1 48 48 GLN C C 13 175.738 0 . . . . . . . 48 Q C . 27772 1 188 . 1 . 1 48 48 GLN CA C 13 55.756 0 . . . . . . . 48 Q CA . 27772 1 189 . 1 . 1 48 48 GLN CB C 13 29.136 0 . . . . . . . 48 Q CB . 27772 1 190 . 1 . 1 48 48 GLN N N 15 118.165 0 . . . . . . . 48 Q N . 27772 1 191 . 1 . 1 49 49 HIS H H 1 8.376 0 . . . . . . . 49 H H . 27772 1 192 . 1 . 1 49 49 HIS C C 13 174.156 0 . . . . . . . 49 H C . 27772 1 193 . 1 . 1 49 49 HIS CA C 13 54.973 0 . . . . . . . 49 H CA . 27772 1 194 . 1 . 1 49 49 HIS CB C 13 28.782 0 . . . . . . . 49 H CB . 27772 1 195 . 1 . 1 49 49 HIS N N 15 119.419 0 . . . . . . . 49 H N . 27772 1 196 . 1 . 1 50 50 VAL H H 1 8.095 0 . . . . . . . 50 V H . 27772 1 197 . 1 . 1 50 50 VAL C C 13 175.912 0 . . . . . . . 50 V C . 27772 1 198 . 1 . 1 50 50 VAL CA C 13 62.06 0 . . . . . . . 50 V CA . 27772 1 199 . 1 . 1 50 50 VAL CB C 13 32.766 0 . . . . . . . 50 V CB . 27772 1 200 . 1 . 1 50 50 VAL N N 15 121.178 0 . . . . . . . 50 V N . 27772 1 201 . 1 . 1 51 51 SER H H 1 8.394 0 . . . . . . . 51 S H . 27772 1 202 . 1 . 1 51 51 SER C C 13 174.504 0 . . . . . . . 51 S C . 27772 1 203 . 1 . 1 51 51 SER CA C 13 58.228 0 . . . . . . . 51 S CA . 27772 1 204 . 1 . 1 51 51 SER CB C 13 63.83 0 . . . . . . . 51 S CB . 27772 1 205 . 1 . 1 51 51 SER N N 15 119.456 0 . . . . . . . 51 S N . 27772 1 206 . 1 . 1 52 52 SER H H 1 8.274 0 . . . . . . . 52 S H . 27772 1 207 . 1 . 1 52 52 SER C C 13 174.185 0 . . . . . . . 52 S C . 27772 1 208 . 1 . 1 52 52 SER CA C 13 58.475 0 . . . . . . . 52 S CA . 27772 1 209 . 1 . 1 52 52 SER CB C 13 63.693 0 . . . . . . . 52 S CB . 27772 1 210 . 1 . 1 52 52 SER N N 15 117.5 0 . . . . . . . 52 S N . 27772 1 211 . 1 . 1 53 53 ASN H H 1 8.338 0 . . . . . . . 53 N H . 27772 1 212 . 1 . 1 53 53 ASN C C 13 175.099 0 . . . . . . . 53 N C . 27772 1 213 . 1 . 1 53 53 ASN CA C 13 53.367 0 . . . . . . . 53 N CA . 27772 1 214 . 1 . 1 53 53 ASN CB C 13 38.521 0 . . . . . . . 53 N CB . 27772 1 215 . 1 . 1 53 53 ASN N N 15 120.097 0 . . . . . . . 53 N N . 27772 1 216 . 1 . 1 54 54 ILE H H 1 7.862 0 . . . . . . . 54 I H . 27772 1 217 . 1 . 1 54 54 ILE C C 13 176.13 0 . . . . . . . 54 I C . 27772 1 218 . 1 . 1 54 54 ILE CA C 13 61.318 0 . . . . . . . 54 I CA . 27772 1 219 . 1 . 1 54 54 ILE CB C 13 38.297 0 . . . . . . . 54 I CB . 27772 1 220 . 1 . 1 54 54 ILE N N 15 120.399 0 . . . . . . . 54 I N . 27772 1 221 . 1 . 1 55 55 LYS H H 1 8.262 0 . . . . . . . 55 K H . 27772 1 222 . 1 . 1 55 55 LYS C C 13 176.783 0 . . . . . . . 55 K C . 27772 1 223 . 1 . 1 55 55 LYS CA C 13 56.745 0 . . . . . . . 55 K CA . 27772 1 224 . 1 . 1 55 55 LYS CB C 13 32.766 0 . . . . . . . 55 K CB . 27772 1 225 . 1 . 1 55 55 LYS N N 15 124.422 0 . . . . . . . 55 K N . 27772 1 226 . 1 . 1 56 56 THR H H 1 7.891 0 . . . . . . . 56 T H . 27772 1 227 . 1 . 1 56 56 THR C C 13 174.62 0 . . . . . . . 56 T C . 27772 1 228 . 1 . 1 56 56 THR CA C 13 62.101 0 . . . . . . . 56 T CA . 27772 1 229 . 1 . 1 56 56 THR CB C 13 69.774 0 . . . . . . . 56 T CB . 27772 1 230 . 1 . 1 56 56 THR N N 15 114.652 0 . . . . . . . 56 T N . 27772 1 231 . 1 . 1 57 57 VAL H H 1 8.004 0 . . . . . . . 57 V H . 27772 1 232 . 1 . 1 57 57 VAL C C 13 176.377 0 . . . . . . . 57 V C . 27772 1 233 . 1 . 1 57 57 VAL CA C 13 63.172 0 . . . . . . . 57 V CA . 27772 1 234 . 1 . 1 57 57 VAL CB C 13 32.412 0 . . . . . . . 57 V CB . 27772 1 235 . 1 . 1 57 57 VAL N N 15 122.295 0 . . . . . . . 57 V N . 27772 1 236 . 1 . 1 58 58 VAL H H 1 8.02 0 . . . . . . . 58 V H . 27772 1 237 . 1 . 1 58 58 VAL C C 13 176.594 0 . . . . . . . 58 V C . 27772 1 238 . 1 . 1 58 58 VAL CA C 13 62.925 0 . . . . . . . 58 V CA . 27772 1 239 . 1 . 1 58 58 VAL CB C 13 32.5 0 . . . . . . . 58 V CB . 27772 1 240 . 1 . 1 58 58 VAL N N 15 122.547 0 . . . . . . . 58 V N . 27772 1 241 . 1 . 1 59 59 GLU H H 1 8.206 0 . . . . . . . 59 E H . 27772 1 242 . 1 . 1 59 59 GLU C C 13 176.313 0 . . . . . . . 59 E C . 27772 1 243 . 1 . 1 59 59 GLU CA C 13 56.457 0 . . . . . . . 59 E CA . 27772 1 244 . 1 . 1 59 59 GLU CB C 13 28.782 0 . . . . . . . 59 E CB . 27772 1 245 . 1 . 1 59 59 GLU N N 15 123.341 0 . . . . . . . 59 E N . 27772 1 246 . 1 . 1 60 60 ARG H H 1 8.181 0 . . . . . . . 60 R H . 27772 1 247 . 1 . 1 60 60 ARG C C 13 176.638 0 . . . . . . . 60 R C . 27772 1 248 . 1 . 1 60 60 ARG CA C 13 56.663 0 . . . . . . . 60 R CA . 27772 1 249 . 1 . 1 60 60 ARG CB C 13 30.552 0 . . . . . . . 60 R CB . 27772 1 250 . 1 . 1 60 60 ARG N N 15 121.072 0 . . . . . . . 60 R N . 27772 1 251 . 1 . 1 61 61 GLU H H 1 8.269 0 . . . . . . . 61 E H . 27772 1 252 . 1 . 1 61 61 GLU C C 13 176.565 0 . . . . . . . 61 E C . 27772 1 253 . 1 . 1 61 61 GLU CA C 13 56.415 0 . . . . . . . 61 E CA . 27772 1 254 . 1 . 1 61 61 GLU CB C 13 28.693 0 . . . . . . . 61 E CB . 27772 1 255 . 1 . 1 61 61 GLU N N 15 120.328 0 . . . . . . . 61 E N . 27772 1 256 . 1 . 1 62 62 THR H H 1 8.023 0 . . . . . . . 62 T H . 27772 1 257 . 1 . 1 62 62 THR C C 13 174.765 0 . . . . . . . 62 T C . 27772 1 258 . 1 . 1 62 62 THR CA C 13 62.06 0 . . . . . . . 62 T CA . 27772 1 259 . 1 . 1 62 62 THR CB C 13 69.774 0 . . . . . . . 62 T CB . 27772 1 260 . 1 . 1 62 62 THR N N 15 113.836 0 . . . . . . . 62 T N . 27772 1 261 . 1 . 1 63 63 GLU H H 1 8.218 0 . . . . . . . 63 E H . 27772 1 262 . 1 . 1 63 63 GLU C C 13 176.565 0 . . . . . . . 63 E C . 27772 1 263 . 1 . 1 63 63 GLU CA C 13 56.292 0 . . . . . . . 63 E CA . 27772 1 264 . 1 . 1 63 63 GLU CB C 13 28.782 0 . . . . . . . 63 E CB . 27772 1 265 . 1 . 1 63 63 GLU N N 15 122.1 0 . . . . . . . 63 E N . 27772 1 266 . 1 . 1 64 64 GLY H H 1 8.322 0 . . . . . . . 64 G H . 27772 1 267 . 1 . 1 64 64 GLY C C 13 174.156 0 . . . . . . . 64 G C . 27772 1 268 . 1 . 1 64 64 GLY CA C 13 45.415 0 . . . . . . . 64 G CA . 27772 1 269 . 1 . 1 64 64 GLY N N 15 109.665 0 . . . . . . . 64 G N . 27772 1 270 . 1 . 1 65 65 SER H H 1 8.076 0 . . . . . . . 65 S H . 27772 1 271 . 1 . 1 65 65 SER C C 13 174.707 0 . . . . . . . 65 S C . 27772 1 272 . 1 . 1 65 65 SER CA C 13 58.228 0 . . . . . . . 65 S CA . 27772 1 273 . 1 . 1 65 65 SER CB C 13 63.931 0 . . . . . . . 65 S CB . 27772 1 274 . 1 . 1 65 65 SER N N 15 115.134 0 . . . . . . . 65 S N . 27772 1 275 . 1 . 1 66 66 SER H H 1 8.318 0 . . . . . . . 66 S H . 27772 1 276 . 1 . 1 66 66 SER C C 13 174.635 0 . . . . . . . 66 S C . 27772 1 277 . 1 . 1 66 66 SER CA C 13 58.393 0 . . . . . . . 66 S CA . 27772 1 278 . 1 . 1 66 66 SER N N 15 117.775 0 . . . . . . . 66 S N . 27772 1 279 . 1 . 1 67 67 VAL H H 1 7.965 0 . . . . . . . 67 V H . 27772 1 280 . 1 . 1 67 67 VAL C C 13 176.594 0 . . . . . . . 67 V C . 27772 1 281 . 1 . 1 67 67 VAL CA C 13 62.637 0 . . . . . . . 67 V CA . 27772 1 282 . 1 . 1 67 67 VAL CB C 13 32.412 0 . . . . . . . 67 V CB . 27772 1 283 . 1 . 1 67 67 VAL N N 15 120.7 0 . . . . . . . 67 V N . 27772 1 284 . 1 . 1 68 68 GLY H H 1 8.256 0 . . . . . . . 68 G H . 27772 1 285 . 1 . 1 68 68 GLY C C 13 173.851 0 . . . . . . . 68 G C . 27772 1 286 . 1 . 1 68 68 GLY CA C 13 45.126 0 . . . . . . . 68 G CA . 27772 1 287 . 1 . 1 68 68 GLY N N 15 111.296 0 . . . . . . . 68 G N . 27772 1 288 . 1 . 1 69 69 GLU H H 1 8.024 0 . . . . . . . 69 E H . 27772 1 289 . 1 . 1 69 69 GLU C C 13 175.723 0 . . . . . . . 69 E C . 27772 1 290 . 1 . 1 69 69 GLU CA C 13 55.839 0 . . . . . . . 69 E CA . 27772 1 291 . 1 . 1 69 69 GLU CB C 13 29.401 0 . . . . . . . 69 E CB . 27772 1 292 . 1 . 1 69 69 GLU N N 15 119.335 0 . . . . . . . 69 E N . 27772 1 293 . 1 . 1 70 70 ALA H H 1 8.391 0 . . . . . . . 70 A H . 27772 1 294 . 1 . 1 70 70 ALA CA C 13 51.636 0 . . . . . . . 70 A CA . 27772 1 295 . 1 . 1 70 70 ALA N N 15 125.641 0 . . . . . . . 70 A N . 27772 1 296 . 1 . 1 72 72 LEU H H 1 8.452 0 . . . . . . . 72 L H . 27772 1 297 . 1 . 1 72 72 LEU C C 13 177.465 0 . . . . . . . 72 L C . 27772 1 298 . 1 . 1 72 72 LEU CA C 13 56.003 0 . . . . . . . 72 L CA . 27772 1 299 . 1 . 1 72 72 LEU CB C 13 41.885 0 . . . . . . . 72 L CB . 27772 1 300 . 1 . 1 72 72 LEU N N 15 117.594 0 . . . . . . . 72 L N . 27772 1 301 . 1 . 1 73 73 CYS H H 1 7.406 0 . . . . . . . 73 C H . 27772 1 302 . 1 . 1 73 73 CYS C C 13 176.246 0 . . . . . . . 73 C C . 27772 1 303 . 1 . 1 73 73 CYS CA C 13 58.696 0 . . . . . . . 73 C CA . 27772 1 304 . 1 . 1 73 73 CYS CB C 13 37.955 0 . . . . . . . 73 C CB . 27772 1 305 . 1 . 1 73 73 CYS N N 15 118.342 0 . . . . . . . 73 C N . 27772 1 306 . 1 . 1 74 74 THR H H 1 8.225 0 . . . . . . . 74 T H . 27772 1 307 . 1 . 1 74 74 THR C C 13 176.856 0 . . . . . . . 74 T C . 27772 1 308 . 1 . 1 74 74 THR CA C 13 66.468 0 . . . . . . . 74 T CA . 27772 1 309 . 1 . 1 74 74 THR N N 15 115.668 0 . . . . . . . 74 T N . 27772 1 310 . 1 . 1 75 75 ALA H H 1 8.172 0 . . . . . . . 75 A H . 27772 1 311 . 1 . 1 75 75 ALA CA C 13 55.051 0 . . . . . . . 75 A CA . 27772 1 312 . 1 . 1 75 75 ALA N N 15 122.777 0 . . . . . . . 75 A N . 27772 1 313 . 1 . 1 78 78 MET H H 1 7.832 0 . . . . . . . 78 M H . 27772 1 314 . 1 . 1 78 78 MET C C 13 176.609 0 . . . . . . . 78 M C . 27772 1 315 . 1 . 1 78 78 MET CA C 13 57.981 0 . . . . . . . 78 M CA . 27772 1 316 . 1 . 1 78 78 MET N N 15 117.452 0 . . . . . . . 78 M N . 27772 1 317 . 1 . 1 79 79 ALA H H 1 7.552 0 . . . . . . . 79 A H . 27772 1 318 . 1 . 1 79 79 ALA C C 13 179.585 0 . . . . . . . 79 A C . 27772 1 319 . 1 . 1 79 79 ALA CA C 13 55.097 0 . . . . . . . 79 A CA . 27772 1 320 . 1 . 1 79 79 ALA CB C 13 17.006 0 . . . . . . . 79 A CB . 27772 1 321 . 1 . 1 79 79 ALA N N 15 119.402 0 . . . . . . . 79 A N . 27772 1 322 . 1 . 1 80 80 VAL H H 1 8.451 0 . . . . . . . 80 V H . 27772 1 323 . 1 . 1 80 80 VAL CA C 13 67.405 0 . . . . . . . 80 V CA . 27772 1 324 . 1 . 1 80 80 VAL N N 15 117.594 0 . . . . . . . 80 V N . 27772 1 325 . 1 . 1 83 83 MET H H 1 8.676 0 . . . . . . . 83 M H . 27772 1 326 . 1 . 1 83 83 MET C C 13 178.147 0 . . . . . . . 83 M C . 27772 1 327 . 1 . 1 83 83 MET CA C 13 60.989 0 . . . . . . . 83 M CA . 27772 1 328 . 1 . 1 83 83 MET N N 15 119.863 0 . . . . . . . 83 M N . 27772 1 329 . 1 . 1 84 84 GLN H H 1 8.828 0 . . . . . . . 84 Q H . 27772 1 330 . 1 . 1 84 84 GLN C C 13 177.988 0 . . . . . . . 84 Q C . 27772 1 331 . 1 . 1 84 84 GLN CA C 13 59.981 0 . . . . . . . 84 Q CA . 27772 1 332 . 1 . 1 84 84 GLN CB C 13 29.171 0 . . . . . . . 84 Q CB . 27772 1 333 . 1 . 1 84 84 GLN N N 15 118.409 0 . . . . . . . 84 Q N . 27772 1 334 . 1 . 1 85 85 ASN H H 1 8.705 0 . . . . . . . 85 N H . 27772 1 335 . 1 . 1 85 85 ASN CA C 13 56.127 0 . . . . . . . 85 N CA . 27772 1 336 . 1 . 1 85 85 ASN CB C 13 37.901 0 . . . . . . . 85 N CB . 27772 1 337 . 1 . 1 85 85 ASN N N 15 117.239 0 . . . . . . . 85 N N . 27772 1 338 . 1 . 1 88 88 LYS H H 1 7.464 0 . . . . . . . 88 K H . 27772 1 339 . 1 . 1 88 88 LYS C C 13 177.262 0 . . . . . . . 88 K C . 27772 1 340 . 1 . 1 88 88 LYS CA C 13 57.239 0 . . . . . . . 88 K CA . 27772 1 341 . 1 . 1 88 88 LYS CB C 13 32.943 0 . . . . . . . 88 K CB . 27772 1 342 . 1 . 1 88 88 LYS N N 15 113.872 0 . . . . . . . 88 K N . 27772 1 343 . 1 . 1 89 89 GLN H H 1 7.32 0 . . . . . . . 89 Q H . 27772 1 344 . 1 . 1 89 89 GLN C C 13 177.167 0 . . . . . . . 89 Q C . 27772 1 345 . 1 . 1 89 89 GLN CA C 13 56.209 0 . . . . . . . 89 Q CA . 27772 1 346 . 1 . 1 89 89 GLN CB C 13 28.693 0 . . . . . . . 89 Q CB . 27772 1 347 . 1 . 1 89 89 GLN N N 15 118.591 0 . . . . . . . 89 Q N . 27772 1 348 . 1 . 1 90 90 GLU H H 1 8.862 0 . . . . . . . 90 E H . 27772 1 349 . 1 . 1 90 90 GLU C C 13 177.93 0 . . . . . . . 90 E C . 27772 1 350 . 1 . 1 90 90 GLU CA C 13 59.258 0 . . . . . . . 90 E CA . 27772 1 351 . 1 . 1 90 90 GLU CB C 13 28.148 0 . . . . . . . 90 E CB . 27772 1 352 . 1 . 1 90 90 GLU N N 15 123.16 0 . . . . . . . 90 E N . 27772 1 353 . 1 . 1 91 91 GLY H H 1 8.731 0 . . . . . . . 91 G H . 27772 1 354 . 1 . 1 91 91 GLY C C 13 176.289 0 . . . . . . . 91 G C . 27772 1 355 . 1 . 1 91 91 GLY CA C 13 46.857 0 . . . . . . . 91 G CA . 27772 1 356 . 1 . 1 91 91 GLY N N 15 104.663 0 . . . . . . . 91 G N . 27772 1 357 . 1 . 1 92 92 THR H H 1 7.234 0 . . . . . . . 92 T H . 27772 1 358 . 1 . 1 92 92 THR C C 13 174.925 0 . . . . . . . 92 T C . 27772 1 359 . 1 . 1 92 92 THR CA C 13 65.562 0 . . . . . . . 92 T CA . 27772 1 360 . 1 . 1 92 92 THR N N 15 118.697 0 . . . . . . . 92 T N . 27772 1 361 . 1 . 1 93 93 LYS H H 1 7.606 0 . . . . . . . 93 K H . 27772 1 362 . 1 . 1 93 93 LYS C C 13 177.335 0 . . . . . . . 93 K C . 27772 1 363 . 1 . 1 93 93 LYS CA C 13 59.247 0 . . . . . . . 93 K CA . 27772 1 364 . 1 . 1 93 93 LYS CB C 13 31.792 0 . . . . . . . 93 K CB . 27772 1 365 . 1 . 1 93 93 LYS N N 15 121.164 0 . . . . . . . 93 K N . 27772 1 366 . 1 . 1 94 94 GLU H H 1 8.328 0 . . . . . . . 94 E H . 27772 1 367 . 1 . 1 94 94 GLU C C 13 178.612 0 . . . . . . . 94 E C . 27772 1 368 . 1 . 1 94 94 GLU CA C 13 59.011 0 . . . . . . . 94 E CA . 27772 1 369 . 1 . 1 94 94 GLU CB C 13 27.607 0 . . . . . . . 94 E CB . 27772 1 370 . 1 . 1 94 94 GLU N N 15 115.137 0 . . . . . . . 94 E N . 27772 1 371 . 1 . 1 95 95 LYS H H 1 7.165 0 . . . . . . . 95 K H . 27772 1 372 . 1 . 1 95 95 LYS C C 13 179.497 0 . . . . . . . 95 K C . 27772 1 373 . 1 . 1 95 95 LYS CA C 13 58.846 0 . . . . . . . 95 K CA . 27772 1 374 . 1 . 1 95 95 LYS CB C 13 32.057 0 . . . . . . . 95 K CB . 27772 1 375 . 1 . 1 95 95 LYS N N 15 118.077 0 . . . . . . . 95 K N . 27772 1 376 . 1 . 1 96 96 VAL H H 1 7.582 0 . . . . . . . 96 V H . 27772 1 377 . 1 . 1 96 96 VAL C C 13 179.265 0 . . . . . . . 96 V C . 27772 1 378 . 1 . 1 96 96 VAL CA C 13 66.798 0 . . . . . . . 96 V CA . 27772 1 379 . 1 . 1 96 96 VAL N N 15 119.756 0 . . . . . . . 96 V N . 27772 1 380 . 1 . 1 97 97 LEU H H 1 8.146 0 . . . . . . . 97 L H . 27772 1 381 . 1 . 1 97 97 LEU CA C 13 59.011 0 . . . . . . . 97 L CA . 27772 1 382 . 1 . 1 97 97 LEU N N 15 120.3 0 . . . . . . . 97 L N . 27772 1 383 . 1 . 1 100 100 VAL H H 1 8.004 0 . . . . . . . 100 V H . 27772 1 384 . 1 . 1 100 100 VAL C C 13 176.71 0 . . . . . . . 100 V C . 27772 1 385 . 1 . 1 100 100 VAL CA C 13 66.716 0 . . . . . . . 100 V CA . 27772 1 386 . 1 . 1 100 100 VAL N N 15 118.409 0 . . . . . . . 100 V N . 27772 1 387 . 1 . 1 101 101 ASN H H 1 8.218 0 . . . . . . . 101 N H . 27772 1 388 . 1 . 1 101 101 ASN C C 13 177.639 0 . . . . . . . 101 N C . 27772 1 389 . 1 . 1 101 101 ASN CA C 13 57.116 0 . . . . . . . 101 N CA . 27772 1 390 . 1 . 1 101 101 ASN CB C 13 38.875 0 . . . . . . . 101 N CB . 27772 1 391 . 1 . 1 101 101 ASN N N 15 116.353 0 . . . . . . . 101 N N . 27772 1 392 . 1 . 1 102 102 GLN H H 1 7.592 0 . . . . . . . 102 Q H . 27772 1 393 . 1 . 1 102 102 GLN C C 13 178.946 0 . . . . . . . 102 Q C . 27772 1 394 . 1 . 1 102 102 GLN CA C 13 58.475 0 . . . . . . . 102 Q CA . 27772 1 395 . 1 . 1 102 102 GLN CB C 13 27.896 0 . . . . . . . 102 Q CB . 27772 1 396 . 1 . 1 102 102 GLN N N 15 116.424 0 . . . . . . . 102 Q N . 27772 1 397 . 1 . 1 103 103 LEU H H 1 7.386 0 . . . . . . . 103 L H . 27772 1 398 . 1 . 1 103 103 LEU C C 13 180.049 0 . . . . . . . 103 L C . 27772 1 399 . 1 . 1 103 103 LEU CA C 13 57.445 0 . . . . . . . 103 L CA . 27772 1 400 . 1 . 1 103 103 LEU N N 15 121.458 0 . . . . . . . 103 L N . 27772 1 401 . 1 . 1 104 104 CYS H H 1 8.109 0 . . . . . . . 104 C H . 27772 1 402 . 1 . 1 104 104 CYS C C 13 177.044 0 . . . . . . . 104 C C . 27772 1 403 . 1 . 1 104 104 CYS CA C 13 55.427 0 . . . . . . . 104 C CA . 27772 1 404 . 1 . 1 104 104 CYS CB C 13 35.422 0 . . . . . . . 104 C CB . 27772 1 405 . 1 . 1 104 104 CYS N N 15 115.869 0 . . . . . . . 104 C N . 27772 1 406 . 1 . 1 105 105 GLU H H 1 7.479 0 . . . . . . . 105 E H . 27772 1 407 . 1 . 1 105 105 GLU C C 13 176.188 0 . . . . . . . 105 E C . 27772 1 408 . 1 . 1 105 105 GLU CA C 13 56.91 0 . . . . . . . 105 E CA . 27772 1 409 . 1 . 1 105 105 GLU CB C 13 28.693 0 . . . . . . . 105 E CB . 27772 1 410 . 1 . 1 105 105 GLU N N 15 115.609 0 . . . . . . . 105 E N . 27772 1 411 . 1 . 1 106 106 LYS H H 1 7.408 0 . . . . . . . 106 K H . 27772 1 412 . 1 . 1 106 106 LYS C C 13 175.825 0 . . . . . . . 106 K C . 27772 1 413 . 1 . 1 106 106 LYS CA C 13 55.509 0 . . . . . . . 106 K CA . 27772 1 414 . 1 . 1 106 106 LYS CB C 13 32.766 0 . . . . . . . 106 K CB . 27772 1 415 . 1 . 1 106 106 LYS N N 15 118.342 0 . . . . . . . 106 K N . 27772 1 416 . 1 . 1 107 107 ILE H H 1 7.44 0 . . . . . . . 107 I H . 27772 1 417 . 1 . 1 107 107 ILE CA C 13 59.629 0 . . . . . . . 107 I CA . 27772 1 418 . 1 . 1 107 107 ILE CB C 13 38.698 0 . . . . . . . 107 I CB . 27772 1 419 . 1 . 1 107 107 ILE N N 15 123.217 0 . . . . . . . 107 I N . 27772 1 stop_ save_