data_27569 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27569 _Entry.Title ; Human Lineage Specific 1 domain, NBPF15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-03 _Entry.Accession_date 2018-08-03 _Entry.Last_release_date 2018-08-03 _Entry.Original_release_date 2018-08-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 ; Assignment of residues 338-412 corresponding to HLS1 domain in NBPF15 (this is equivalent to 12-86 in our numbering). ; _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 Aaron Issaian . V. . . 27569 2 Kirk Hansen . . . . 27569 3 Beat Vogeli . R. . . 27569 4 James Sikela . . . . 27569 5 Morkos Henen . A. . . 27569 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry, RC1-South, 9th floor, L18-9301' . 27569 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27569 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 216 27569 '15N chemical shifts' 73 27569 '1H chemical shifts' 73 27569 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-09-23 2018-08-03 update BMRB 'update entry citation' 27569 1 . . 2019-07-02 2018-08-03 original author 'original release' 27569 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27569 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-019-09902-0 _Citation.PubMed_ID 31264103 _Citation.Full_citation . _Citation.Title ; Solution NMR backbone assignment reveals interaction-free tumbling of human lineage-specific Olduvai protein domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 339 _Citation.Page_last 343 _Citation.Year 2019 _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 Aaron Issaian . . . . 27569 1 2 Lauren Schmitt . . . . 27569 1 3 Alexandra Born . . . . 27569 1 4 Parker Nichols . J. . . 27569 1 5 James Sikela . . . . 27569 1 6 Kirk Hansen . . . . 27569 1 7 Beat Vogeli . . . . 27569 1 8 Morkos Henen . A. . . 27569 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Brain Evolution' 27569 1 HLS 27569 1 'NBPF 15' 27569 1 Olduvai 27569 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27569 _Assembly.ID 1 _Assembly.Name 'HLS1 Monomer' _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 HLS1 1 $HLS-1 A . yes native no no . . . 27569 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLS-1 _Entity.Sf_category entity _Entity.Sf_framecode HLS-1 _Entity.Entry_ID 27569 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLS-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SAAAASSASLEKEDQEATGP RLSRELLDEKEPEVLQDSLD RCYSTPSGCLELTDSCQPYR SAFYVLEQQRVGLAIDMDEI EKYQEVLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1-94 (residues 12-86 are equivalent to 338-412 in Human NBPF15).' _Entity.Polymer_author_seq_details 'Residues 1-11, 87-94 are cloning artifact.' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . SER . 27569 1 2 . ALA . 27569 1 3 . ALA . 27569 1 4 . ALA . 27569 1 5 . ALA . 27569 1 6 . SER . 27569 1 7 . SER . 27569 1 8 . ALA . 27569 1 9 . SER . 27569 1 10 . LEU . 27569 1 11 . GLU . 27569 1 12 . LYS . 27569 1 13 . GLU . 27569 1 14 . ASP . 27569 1 15 . GLN . 27569 1 16 . GLU . 27569 1 17 . ALA . 27569 1 18 . THR . 27569 1 19 . GLY . 27569 1 20 . PRO . 27569 1 21 . ARG . 27569 1 22 . LEU . 27569 1 23 . SER . 27569 1 24 . ARG . 27569 1 25 . GLU . 27569 1 26 . LEU . 27569 1 27 . LEU . 27569 1 28 . ASP . 27569 1 29 . GLU . 27569 1 30 . LYS . 27569 1 31 . GLU . 27569 1 32 . PRO . 27569 1 33 . GLU . 27569 1 34 . VAL . 27569 1 35 . LEU . 27569 1 36 . GLN . 27569 1 37 . ASP . 27569 1 38 . SER . 27569 1 39 . LEU . 27569 1 40 . ASP . 27569 1 41 . ARG . 27569 1 42 . CYS . 27569 1 43 . TYR . 27569 1 44 . SER . 27569 1 45 . THR . 27569 1 46 . PRO . 27569 1 47 . SER . 27569 1 48 . GLY . 27569 1 49 . CYS . 27569 1 50 . LEU . 27569 1 51 . GLU . 27569 1 52 . LEU . 27569 1 53 . THR . 27569 1 54 . ASP . 27569 1 55 . SER . 27569 1 56 . CYS . 27569 1 57 . GLN . 27569 1 58 . PRO . 27569 1 59 . TYR . 27569 1 60 . ARG . 27569 1 61 . SER . 27569 1 62 . ALA . 27569 1 63 . PHE . 27569 1 64 . TYR . 27569 1 65 . VAL . 27569 1 66 . LEU . 27569 1 67 . GLU . 27569 1 68 . GLN . 27569 1 69 . GLN . 27569 1 70 . ARG . 27569 1 71 . VAL . 27569 1 72 . GLY . 27569 1 73 . LEU . 27569 1 74 . ALA . 27569 1 75 . ILE . 27569 1 76 . ASP . 27569 1 77 . MET . 27569 1 78 . ASP . 27569 1 79 . GLU . 27569 1 80 . ILE . 27569 1 81 . GLU . 27569 1 82 . LYS . 27569 1 83 . TYR . 27569 1 84 . GLN . 27569 1 85 . GLU . 27569 1 86 . VAL . 27569 1 87 . LEU . 27569 1 88 . GLU . 27569 1 89 . HIS . 27569 1 90 . HIS . 27569 1 91 . HIS . 27569 1 92 . HIS . 27569 1 93 . HIS . 27569 1 94 . HIS . 27569 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 . SER 1 1 27569 1 . ALA 2 2 27569 1 . ALA 3 3 27569 1 . ALA 4 4 27569 1 . ALA 5 5 27569 1 . SER 6 6 27569 1 . SER 7 7 27569 1 . ALA 8 8 27569 1 . SER 9 9 27569 1 . LEU 10 10 27569 1 . GLU 11 11 27569 1 . LYS 12 12 27569 1 . GLU 13 13 27569 1 . ASP 14 14 27569 1 . GLN 15 15 27569 1 . GLU 16 16 27569 1 . ALA 17 17 27569 1 . THR 18 18 27569 1 . GLY 19 19 27569 1 . PRO 20 20 27569 1 . ARG 21 21 27569 1 . LEU 22 22 27569 1 . SER 23 23 27569 1 . ARG 24 24 27569 1 . GLU 25 25 27569 1 . LEU 26 26 27569 1 . LEU 27 27 27569 1 . ASP 28 28 27569 1 . GLU 29 29 27569 1 . LYS 30 30 27569 1 . GLU 31 31 27569 1 . PRO 32 32 27569 1 . GLU 33 33 27569 1 . VAL 34 34 27569 1 . LEU 35 35 27569 1 . GLN 36 36 27569 1 . ASP 37 37 27569 1 . SER 38 38 27569 1 . LEU 39 39 27569 1 . ASP 40 40 27569 1 . ARG 41 41 27569 1 . CYS 42 42 27569 1 . TYR 43 43 27569 1 . SER 44 44 27569 1 . THR 45 45 27569 1 . PRO 46 46 27569 1 . SER 47 47 27569 1 . GLY 48 48 27569 1 . CYS 49 49 27569 1 . LEU 50 50 27569 1 . GLU 51 51 27569 1 . LEU 52 52 27569 1 . THR 53 53 27569 1 . ASP 54 54 27569 1 . SER 55 55 27569 1 . CYS 56 56 27569 1 . GLN 57 57 27569 1 . PRO 58 58 27569 1 . TYR 59 59 27569 1 . ARG 60 60 27569 1 . SER 61 61 27569 1 . ALA 62 62 27569 1 . PHE 63 63 27569 1 . TYR 64 64 27569 1 . VAL 65 65 27569 1 . LEU 66 66 27569 1 . GLU 67 67 27569 1 . GLN 68 68 27569 1 . GLN 69 69 27569 1 . ARG 70 70 27569 1 . VAL 71 71 27569 1 . GLY 72 72 27569 1 . LEU 73 73 27569 1 . ALA 74 74 27569 1 . ILE 75 75 27569 1 . ASP 76 76 27569 1 . MET 77 77 27569 1 . ASP 78 78 27569 1 . GLU 79 79 27569 1 . ILE 80 80 27569 1 . GLU 81 81 27569 1 . LYS 82 82 27569 1 . TYR 83 83 27569 1 . GLN 84 84 27569 1 . GLU 85 85 27569 1 . VAL 86 86 27569 1 . LEU 87 87 27569 1 . GLU 88 88 27569 1 . HIS 89 89 27569 1 . HIS 90 90 27569 1 . HIS 91 91 27569 1 . HIS 92 92 27569 1 . HIS 93 93 27569 1 . HIS 94 94 27569 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 27569 _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 $HLS-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27569 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 27569 _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 $HLS-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21 . . . 27569 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27569 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HLS-1 '[U-100% 13C; U-100% 15N]' . . 1 $HLS-1 . . 320 . . uM . . . . 27569 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27569 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27569 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27569 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 27569 _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 pH 6.5 . pH 27569 1 pressure 1 . atm 27569 1 temperature 273 . K 27569 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27569 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27569 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27569 1 . 'peak picking' 27569 1 . processing 27569 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27569 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27569 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27569 2 . 'peak picking' 27569 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 27569 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27569 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27569 _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 Varian INOVA . 900 . . . 27569 1 2 spectrometer_2 Varian INOVA . 600 . . . 27569 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 27569 _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 . . . . . . . . . . . . . . . . . . . . . 27569 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27569 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27569 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27569 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27569 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 27569 _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 na 'methyl carbon' . . . . ppm 50 na indirect 1.0 . . . . . 27569 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 27569 1 N 15 na nitrogen . . . . ppm 150 na indirect 1.0 . . . . . 27569 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 27569 _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' . . . 27569 1 2 '3D HNCACB' . . . 27569 1 3 '3D HNCO' . . . 27569 1 4 '3D HCACO' . . . 27569 1 5 '3D CBCA(CO)NH' . . . 27569 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ALA H H 1 8.288 0.005 . 1 . . . . . 8 ALA HN . 27569 1 2 . 1 1 8 8 ALA C C 13 177.834 0.000 . 1 . . . . . 8 ALA C . 27569 1 3 . 1 1 8 8 ALA CA C 13 52.797 0.000 . 1 . . . . . 8 ALA CA . 27569 1 4 . 1 1 8 8 ALA CB C 13 19.161 0.000 . 1 . . . . . 8 ALA CB . 27569 1 5 . 1 1 8 8 ALA N N 15 125.821 0.036 . 1 . . . . . 8 ALA N . 27569 1 6 . 1 1 9 9 SER H H 1 8.212 0.005 . 1 . . . . . 9 SER HN . 27569 1 7 . 1 1 9 9 SER C C 13 174.556 0.000 . 1 . . . . . 9 SER C . 27569 1 8 . 1 1 9 9 SER CA C 13 58.329 0.000 . 1 . . . . . 9 SER CA . 27569 1 9 . 1 1 9 9 SER CB C 13 63.676 0.000 . 1 . . . . . 9 SER CB . 27569 1 10 . 1 1 9 9 SER N N 15 114.919 0.019 . 1 . . . . . 9 SER N . 27569 1 11 . 1 1 10 10 LEU H H 1 8.215 0.005 . 1 . . . . . 10 LEU HN . 27569 1 12 . 1 1 10 10 LEU C C 13 177.444 0.000 . 1 . . . . . 10 LEU C . 27569 1 13 . 1 1 10 10 LEU CA C 13 55.343 0.000 . 1 . . . . . 10 LEU CA . 27569 1 14 . 1 1 10 10 LEU CB C 13 42.365 0.000 . 1 . . . . . 10 LEU CB . 27569 1 15 . 1 1 10 10 LEU N N 15 124.093 0.043 . 1 . . . . . 10 LEU N . 27569 1 16 . 1 1 11 11 GLU H H 1 8.312 0.001 . 1 . . . . . 11 GLU HN . 27569 1 17 . 1 1 11 11 GLU C C 13 176.383 0.000 . 1 . . . . . 11 GLU C . 27569 1 18 . 1 1 11 11 GLU CA C 13 56.607 0.000 . 1 . . . . . 11 GLU CA . 27569 1 19 . 1 1 11 11 GLU CB C 13 30.177 0.000 . 1 . . . . . 11 GLU CB . 27569 1 20 . 1 1 11 11 GLU N N 15 121.652 0.026 . 1 . . . . . 11 GLU N . 27569 1 21 . 1 1 12 12 LYS H H 1 8.261 0.007 . 1 . . . . . 12 LYS HN . 27569 1 22 . 1 1 12 12 LYS C C 13 176.587 0.000 . 1 . . . . . 12 LYS C . 27569 1 23 . 1 1 12 12 LYS CA C 13 56.336 0.000 . 1 . . . . . 12 LYS CA . 27569 1 24 . 1 1 12 12 LYS CB C 13 33.124 0.000 . 1 . . . . . 12 LYS CB . 27569 1 25 . 1 1 12 12 LYS N N 15 121.785 0.003 . 1 . . . . . 12 LYS N . 27569 1 26 . 1 1 13 13 GLU H H 1 8.488 0.006 . 1 . . . . . 13 GLU HN . 27569 1 27 . 1 1 13 13 GLU C C 13 176.266 0.000 . 1 . . . . . 13 GLU C . 27569 1 28 . 1 1 13 13 GLU CA C 13 56.821 0.000 . 1 . . . . . 13 GLU CA . 27569 1 29 . 1 1 13 13 GLU CB C 13 30.350 0.000 . 1 . . . . . 13 GLU CB . 27569 1 30 . 1 1 13 13 GLU N N 15 122.167 0.015 . 1 . . . . . 13 GLU N . 27569 1 31 . 1 1 14 14 ASP H H 1 8.382 0.003 . 1 . . . . . 14 ASP HN . 27569 1 32 . 1 1 14 14 ASP C C 13 176.317 0.000 . 1 . . . . . 14 ASP C . 27569 1 33 . 1 1 14 14 ASP CA C 13 54.439 0.000 . 1 . . . . . 14 ASP CA . 27569 1 34 . 1 1 14 14 ASP CB C 13 41.265 0.000 . 1 . . . . . 14 ASP CB . 27569 1 35 . 1 1 14 14 ASP N N 15 121.517 0.008 . 1 . . . . . 14 ASP N . 27569 1 36 . 1 1 15 15 GLN H H 1 8.337 0.005 . 1 . . . . . 15 GLN HN . 27569 1 37 . 1 1 15 15 GLN C C 13 176.196 0.000 . 1 . . . . . 15 GLN C . 27569 1 38 . 1 1 15 15 GLN CA C 13 56.195 0.000 . 1 . . . . . 15 GLN CA . 27569 1 39 . 1 1 15 15 GLN CB C 13 29.530 0.000 . 1 . . . . . 15 GLN CB . 27569 1 40 . 1 1 15 15 GLN N N 15 120.772 0.001 . 1 . . . . . 15 GLN N . 27569 1 41 . 1 1 16 16 GLU H H 1 8.429 0.006 . 1 . . . . . 16 GLU HN . 27569 1 42 . 1 1 16 16 GLU C C 13 176.449 0.000 . 1 . . . . . 16 GLU C . 27569 1 43 . 1 1 16 16 GLU CA C 13 56.620 0.000 . 1 . . . . . 16 GLU CA . 27569 1 44 . 1 1 16 16 GLU CB C 13 30.033 0.000 . 1 . . . . . 16 GLU CB . 27569 1 45 . 1 1 16 16 GLU N N 15 121.509 0.006 . 1 . . . . . 16 GLU N . 27569 1 46 . 1 1 17 17 ALA H H 1 8.266 0.006 . 1 . . . . . 17 ALA HN . 27569 1 47 . 1 1 17 17 ALA C C 13 177.907 0.000 . 1 . . . . . 17 ALA C . 27569 1 48 . 1 1 17 17 ALA CA C 13 52.552 0.000 . 1 . . . . . 17 ALA CA . 27569 1 49 . 1 1 17 17 ALA CB C 13 19.183 0.000 . 1 . . . . . 17 ALA CB . 27569 1 50 . 1 1 17 17 ALA N N 15 124.972 0.022 . 1 . . . . . 17 ALA N . 27569 1 51 . 1 1 18 18 THR H H 1 8.080 0.005 . 1 . . . . . 18 THR HN . 27569 1 52 . 1 1 18 18 THR C C 13 174.798 0.000 . 1 . . . . . 18 THR C . 27569 1 53 . 1 1 18 18 THR CA C 13 61.755 0.000 . 1 . . . . . 18 THR CA . 27569 1 54 . 1 1 18 18 THR CB C 13 69.870 0.000 . 1 . . . . . 18 THR CB . 27569 1 55 . 1 1 18 18 THR N N 15 112.273 0.024 . 1 . . . . . 18 THR N . 27569 1 56 . 1 1 19 19 GLY H H 1 8.171 0.006 . 1 . . . . . 19 GLY HN . 27569 1 57 . 1 1 19 19 GLY C C 13 171.620 0.000 . 1 . . . . . 19 GLY C . 27569 1 58 . 1 1 19 19 GLY CA C 13 44.795 0.000 . 1 . . . . . 19 GLY CA . 27569 1 59 . 1 1 19 19 GLY N N 15 111.057 0.012 . 1 . . . . . 19 GLY N . 27569 1 60 . 1 1 22 22 LEU H H 1 8.310 0.004 . 1 . . . . . 22 LEU HN . 27569 1 61 . 1 1 22 22 LEU C C 13 177.263 0.000 . 1 . . . . . 22 LEU C . 27569 1 62 . 1 1 22 22 LEU CA C 13 55.207 0.000 . 1 . . . . . 22 LEU CA . 27569 1 63 . 1 1 22 22 LEU CB C 13 42.393 0.000 . 1 . . . . . 22 LEU CB . 27569 1 64 . 1 1 22 22 LEU N N 15 123.602 0.054 . 1 . . . . . 22 LEU N . 27569 1 65 . 1 1 23 23 SER H H 1 8.255 0.001 . 1 . . . . . 23 SER HN . 27569 1 66 . 1 1 23 23 SER C C 13 174.635 0.000 . 1 . . . . . 23 SER C . 27569 1 67 . 1 1 23 23 SER CA C 13 58.264 0.000 . 1 . . . . . 23 SER CA . 27569 1 68 . 1 1 23 23 SER CB C 13 63.709 0.000 . 1 . . . . . 23 SER CB . 27569 1 69 . 1 1 23 23 SER N N 15 116.701 0.000 . 1 . . . . . 23 SER N . 27569 1 70 . 1 1 24 24 ARG H H 1 8.394 0.004 . 1 . . . . . 24 ARG HN . 27569 1 71 . 1 1 24 24 ARG C C 13 176.315 0.000 . 1 . . . . . 24 ARG C . 27569 1 72 . 1 1 24 24 ARG CA C 13 56.576 0.000 . 1 . . . . . 24 ARG CA . 27569 1 73 . 1 1 24 24 ARG CB C 13 30.625 0.000 . 1 . . . . . 24 ARG CB . 27569 1 74 . 1 1 24 24 ARG N N 15 123.015 0.010 . 1 . . . . . 24 ARG N . 27569 1 75 . 1 1 25 25 GLU H H 1 8.461 0.008 . 1 . . . . . 25 GLU HN . 27569 1 76 . 1 1 25 25 GLU C C 13 176.386 0.000 . 1 . . . . . 25 GLU C . 27569 1 77 . 1 1 25 25 GLU CA C 13 56.880 0.000 . 1 . . . . . 25 GLU CA . 27569 1 78 . 1 1 25 25 GLU CB C 13 30.076 0.000 . 1 . . . . . 25 GLU CB . 27569 1 79 . 1 1 25 25 GLU N N 15 121.224 0.004 . 1 . . . . . 25 GLU N . 27569 1 80 . 1 1 26 26 LEU H H 1 8.149 0.005 . 1 . . . . . 26 LEU HN . 27569 1 81 . 1 1 26 26 LEU C C 13 177.196 0.000 . 1 . . . . . 26 LEU C . 27569 1 82 . 1 1 26 26 LEU CA C 13 55.233 0.000 . 1 . . . . . 26 LEU CA . 27569 1 83 . 1 1 26 26 LEU CB C 13 42.106 0.000 . 1 . . . . . 26 LEU CB . 27569 1 84 . 1 1 26 26 LEU N N 15 122.454 0.012 . 1 . . . . . 26 LEU N . 27569 1 85 . 1 1 27 27 LEU H H 1 8.105 0.005 . 1 . . . . . 27 LEU HN . 27569 1 86 . 1 1 27 27 LEU C C 13 176.971 0.000 . 1 . . . . . 27 LEU C . 27569 1 87 . 1 1 27 27 LEU CA C 13 55.219 0.000 . 1 . . . . . 27 LEU CA . 27569 1 88 . 1 1 27 27 LEU CB C 13 42.369 0.000 . 1 . . . . . 27 LEU CB . 27569 1 89 . 1 1 27 27 LEU N N 15 122.470 0.034 . 1 . . . . . 27 LEU N . 27569 1 90 . 1 1 28 28 ASP H H 1 8.239 0.005 . 1 . . . . . 28 ASP HN . 27569 1 91 . 1 1 28 28 ASP C C 13 175.996 0.000 . 1 . . . . . 28 ASP C . 27569 1 92 . 1 1 28 28 ASP CA C 13 54.403 0.006 . 1 . . . . . 28 ASP CA . 27569 1 93 . 1 1 28 28 ASP CB C 13 41.257 0.003 . 1 . . . . . 28 ASP CB . 27569 1 94 . 1 1 28 28 ASP N N 15 120.922 0.130 . 1 . . . . . 28 ASP N . 27569 1 95 . 1 1 29 29 GLU H H 1 8.223 0.006 . 1 . . . . . 29 GLU HN . 27569 1 96 . 1 1 29 29 GLU C C 13 176.120 0.000 . 1 . . . . . 29 GLU C . 27569 1 97 . 1 1 29 29 GLU CA C 13 56.587 0.000 . 1 . . . . . 29 GLU CA . 27569 1 98 . 1 1 29 29 GLU CB C 13 30.359 0.000 . 1 . . . . . 29 GLU CB . 27569 1 99 . 1 1 29 29 GLU N N 15 121.276 0.058 . 1 . . . . . 29 GLU N . 27569 1 100 . 1 1 30 30 LYS H H 1 8.256 0.006 . 1 . . . . . 30 LYS HN . 27569 1 101 . 1 1 30 30 LYS C C 13 176.247 0.000 . 1 . . . . . 30 LYS C . 27569 1 102 . 1 1 30 30 LYS CA C 13 56.081 0.000 . 1 . . . . . 30 LYS CA . 27569 1 103 . 1 1 30 30 LYS CB C 13 33.278 0.000 . 1 . . . . . 30 LYS CB . 27569 1 104 . 1 1 30 30 LYS N N 15 122.259 0.053 . 1 . . . . . 30 LYS N . 27569 1 105 . 1 1 31 31 GLU H H 1 8.456 0.004 . 1 . . . . . 31 GLU HN . 27569 1 106 . 1 1 31 31 GLU C C 13 174.393 0.000 . 1 . . . . . 31 GLU C . 27569 1 107 . 1 1 31 31 GLU CA C 13 54.564 0.000 . 1 . . . . . 31 GLU CA . 27569 1 108 . 1 1 31 31 GLU CB C 13 29.540 0.000 . 1 . . . . . 31 GLU CB . 27569 1 109 . 1 1 31 31 GLU N N 15 123.753 0.041 . 1 . . . . . 31 GLU N . 27569 1 110 . 1 1 34 34 VAL H H 1 8.069 0.005 . 1 . . . . . 34 VAL HN . 27569 1 111 . 1 1 34 34 VAL C C 13 176.322 0.000 . 1 . . . . . 34 VAL C . 27569 1 112 . 1 1 34 34 VAL CA C 13 62.874 0.000 . 1 . . . . . 34 VAL CA . 27569 1 113 . 1 1 34 34 VAL CB C 13 32.516 0.000 . 1 . . . . . 34 VAL CB . 27569 1 114 . 1 1 34 34 VAL N N 15 121.163 0.002 . 1 . . . . . 34 VAL N . 27569 1 115 . 1 1 35 35 LEU H H 1 8.169 0.004 . 1 . . . . . 35 LEU HN . 27569 1 116 . 1 1 35 35 LEU C C 13 177.354 0.000 . 1 . . . . . 35 LEU C . 27569 1 117 . 1 1 35 35 LEU CA C 13 55.478 0.000 . 1 . . . . . 35 LEU CA . 27569 1 118 . 1 1 35 35 LEU CB C 13 42.359 0.000 . 1 . . . . . 35 LEU CB . 27569 1 119 . 1 1 35 35 LEU N N 15 125.100 0.003 . 1 . . . . . 35 LEU N . 27569 1 120 . 1 1 36 36 GLN H H 1 8.214 0.004 . 1 . . . . . 36 GLN HN . 27569 1 121 . 1 1 36 36 GLN C C 13 176.181 0.000 . 1 . . . . . 36 GLN C . 27569 1 122 . 1 1 36 36 GLN CA C 13 56.647 0.000 . 1 . . . . . 36 GLN CA . 27569 1 123 . 1 1 36 36 GLN CB C 13 30.352 0.000 . 1 . . . . . 36 GLN CB . 27569 1 124 . 1 1 36 36 GLN N N 15 120.852 0.075 . 1 . . . . . 36 GLN N . 27569 1 125 . 1 1 37 37 ASP H H 1 8.383 0.007 . 1 . . . . . 37 ASP HN . 27569 1 126 . 1 1 37 37 ASP C C 13 176.320 0.000 . 1 . . . . . 37 ASP C . 27569 1 127 . 1 1 37 37 ASP CA C 13 54.665 0.000 . 1 . . . . . 37 ASP CA . 27569 1 128 . 1 1 37 37 ASP CB C 13 41.246 0.000 . 1 . . . . . 37 ASP CB . 27569 1 129 . 1 1 37 37 ASP N N 15 121.393 0.033 . 1 . . . . . 37 ASP N . 27569 1 130 . 1 1 38 38 SER H H 1 8.201 0.006 . 1 . . . . . 38 SER HN . 27569 1 131 . 1 1 38 38 SER C C 13 174.813 0.000 . 1 . . . . . 38 SER C . 27569 1 132 . 1 1 38 38 SER CA C 13 58.654 0.000 . 1 . . . . . 38 SER CA . 27569 1 133 . 1 1 38 38 SER CB C 13 63.717 0.000 . 1 . . . . . 38 SER CB . 27569 1 134 . 1 1 38 38 SER N N 15 115.851 0.075 . 1 . . . . . 38 SER N . 27569 1 135 . 1 1 39 39 LEU H H 1 8.253 0.005 . 1 . . . . . 39 LEU HN . 27569 1 136 . 1 1 39 39 LEU C C 13 177.263 0.000 . 1 . . . . . 39 LEU C . 27569 1 137 . 1 1 39 39 LEU CA C 13 55.533 0.000 . 1 . . . . . 39 LEU CA . 27569 1 138 . 1 1 39 39 LEU CB C 13 42.153 0.000 . 1 . . . . . 39 LEU CB . 27569 1 139 . 1 1 39 39 LEU N N 15 123.557 0.004 . 1 . . . . . 39 LEU N . 27569 1 140 . 1 1 40 40 ASP H H 1 8.242 0.005 . 1 . . . . . 40 ASP HN . 27569 1 141 . 1 1 40 40 ASP C C 13 176.300 0.000 . 1 . . . . . 40 ASP C . 27569 1 142 . 1 1 40 40 ASP CA C 13 54.682 0.000 . 1 . . . . . 40 ASP CA . 27569 1 143 . 1 1 40 40 ASP CB C 13 41.064 0.000 . 1 . . . . . 40 ASP CB . 27569 1 144 . 1 1 40 40 ASP N N 15 120.261 0.009 . 1 . . . . . 40 ASP N . 27569 1 145 . 1 1 41 41 ARG H H 1 8.082 0.008 . 1 . . . . . 41 ARG HN . 27569 1 146 . 1 1 41 41 ARG C C 13 176.035 0.000 . 1 . . . . . 41 ARG C . 27569 1 147 . 1 1 41 41 ARG CA C 13 56.257 0.011 . 1 . . . . . 41 ARG CA . 27569 1 148 . 1 1 41 41 ARG CB C 13 30.630 0.000 . 1 . . . . . 41 ARG CB . 27569 1 149 . 1 1 41 41 ARG N N 15 120.881 0.137 . 1 . . . . . 41 ARG N . 27569 1 150 . 1 1 42 42 CYS H H 1 8.267 0.005 . 1 . . . . . 42 CYS HN . 27569 1 151 . 1 1 42 42 CYS C C 13 174.278 0.000 . 1 . . . . . 42 CYS C . 27569 1 152 . 1 1 42 42 CYS CA C 13 58.796 0.000 . 1 . . . . . 42 CYS CA . 27569 1 153 . 1 1 42 42 CYS CB C 13 27.864 0.000 . 1 . . . . . 42 CYS CB . 27569 1 154 . 1 1 42 42 CYS N N 15 119.641 0.001 . 1 . . . . . 42 CYS N . 27569 1 155 . 1 1 43 43 TYR H H 1 8.220 0.004 . 1 . . . . . 43 TYR HN . 27569 1 156 . 1 1 43 43 TYR C C 13 175.527 0.000 . 1 . . . . . 43 TYR C . 27569 1 157 . 1 1 43 43 TYR CA C 13 57.956 0.000 . 1 . . . . . 43 TYR CA . 27569 1 158 . 1 1 43 43 TYR CB C 13 38.907 0.000 . 1 . . . . . 43 TYR CB . 27569 1 159 . 1 1 43 43 TYR N N 15 122.394 0.018 . 1 . . . . . 43 TYR N . 27569 1 160 . 1 1 44 44 SER H H 1 8.153 0.005 . 1 . . . . . 44 SER HN . 27569 1 161 . 1 1 44 44 SER C C 13 173.789 0.000 . 1 . . . . . 44 SER C . 27569 1 162 . 1 1 44 44 SER CA C 13 57.963 0.000 . 1 . . . . . 44 SER CA . 27569 1 163 . 1 1 44 44 SER CB C 13 63.987 0.000 . 1 . . . . . 44 SER CB . 27569 1 164 . 1 1 44 44 SER N N 15 117.313 0.006 . 1 . . . . . 44 SER N . 27569 1 165 . 1 1 45 45 THR H H 1 8.137 0.005 . 1 . . . . . 45 THR HN . 27569 1 166 . 1 1 45 45 THR C C 13 172.943 0.000 . 1 . . . . . 45 THR C . 27569 1 167 . 1 1 45 45 THR CA C 13 59.853 0.000 . 1 . . . . . 45 THR CA . 27569 1 168 . 1 1 45 45 THR CB C 13 69.740 0.000 . 1 . . . . . 45 THR CB . 27569 1 169 . 1 1 45 45 THR N N 15 117.990 0.001 . 1 . . . . . 45 THR N . 27569 1 170 . 1 1 47 47 SER H H 1 8.395 0.004 . 1 . . . . . 47 SER HN . 27569 1 171 . 1 1 47 47 SER C C 13 175.150 0.000 . 1 . . . . . 47 SER C . 27569 1 172 . 1 1 47 47 SER CA C 13 58.756 0.000 . 1 . . . . . 47 SER CA . 27569 1 173 . 1 1 47 47 SER CB C 13 63.957 0.000 . 1 . . . . . 47 SER CB . 27569 1 174 . 1 1 47 47 SER N N 15 115.623 0.022 . 1 . . . . . 47 SER N . 27569 1 175 . 1 1 48 48 GLY H H 1 8.398 0.005 . 1 . . . . . 48 GLY HN . 27569 1 176 . 1 1 48 48 GLY C C 13 173.909 0.000 . 1 . . . . . 48 GLY C . 27569 1 177 . 1 1 48 48 GLY CA C 13 45.390 0.000 . 1 . . . . . 48 GLY CA . 27569 1 178 . 1 1 48 48 GLY N N 15 111.008 0.000 . 1 . . . . . 48 GLY N . 27569 1 179 . 1 1 49 49 CYS H H 1 8.152 0.006 . 1 . . . . . 49 CYS HN . 27569 1 180 . 1 1 49 49 CYS C C 13 174.496 0.000 . 1 . . . . . 49 CYS C . 27569 1 181 . 1 1 49 49 CYS CA C 13 58.511 0.000 . 1 . . . . . 49 CYS CA . 27569 1 182 . 1 1 49 49 CYS CB C 13 28.151 0.000 . 1 . . . . . 49 CYS CB . 27569 1 183 . 1 1 49 49 CYS N N 15 118.778 0.012 . 1 . . . . . 49 CYS N . 27569 1 184 . 1 1 50 50 LEU H H 1 8.356 0.005 . 1 . . . . . 50 LEU HN . 27569 1 185 . 1 1 50 50 LEU C C 13 177.046 0.000 . 1 . . . . . 50 LEU C . 27569 1 186 . 1 1 50 50 LEU CA C 13 55.498 0.000 . 1 . . . . . 50 LEU CA . 27569 1 187 . 1 1 50 50 LEU CB C 13 42.387 0.000 . 1 . . . . . 50 LEU CB . 27569 1 188 . 1 1 50 50 LEU N N 15 124.731 0.017 . 1 . . . . . 50 LEU N . 27569 1 189 . 1 1 51 51 GLU H H 1 8.368 0.002 . 1 . . . . . 51 GLU HN . 27569 1 190 . 1 1 51 51 GLU C C 13 176.142 0.000 . 1 . . . . . 51 GLU C . 27569 1 191 . 1 1 51 51 GLU CA C 13 56.345 0.000 . 1 . . . . . 51 GLU CA . 27569 1 192 . 1 1 51 51 GLU CB C 13 30.287 0.000 . 1 . . . . . 51 GLU CB . 27569 1 193 . 1 1 51 51 GLU N N 15 121.514 0.000 . 1 . . . . . 51 GLU N . 27569 1 194 . 1 1 52 52 LEU H H 1 8.260 0.003 . 1 . . . . . 52 LEU HN . 27569 1 195 . 1 1 52 52 LEU C C 13 177.483 0.000 . 1 . . . . . 52 LEU C . 27569 1 196 . 1 1 52 52 LEU CA C 13 55.241 0.000 . 1 . . . . . 52 LEU CA . 27569 1 197 . 1 1 52 52 LEU CB C 13 42.282 0.000 . 1 . . . . . 52 LEU CB . 27569 1 198 . 1 1 52 52 LEU N N 15 123.312 0.004 . 1 . . . . . 52 LEU N . 27569 1 199 . 1 1 53 53 THR H H 1 8.098 0.005 . 1 . . . . . 53 THR HN . 27569 1 200 . 1 1 53 53 THR C C 13 174.355 0.000 . 1 . . . . . 53 THR C . 27569 1 201 . 1 1 53 53 THR CA C 13 61.835 0.000 . 1 . . . . . 53 THR CA . 27569 1 202 . 1 1 53 53 THR CB C 13 69.988 0.000 . 1 . . . . . 53 THR CB . 27569 1 203 . 1 1 53 53 THR N N 15 114.261 0.023 . 1 . . . . . 53 THR N . 27569 1 204 . 1 1 54 54 ASP H H 1 8.351 0.006 . 1 . . . . . 54 ASP HN . 27569 1 205 . 1 1 54 54 ASP C C 13 176.408 0.000 . 1 . . . . . 54 ASP C . 27569 1 206 . 1 1 54 54 ASP CA C 13 54.683 0.000 . 1 . . . . . 54 ASP CA . 27569 1 207 . 1 1 54 54 ASP CB C 13 41.302 0.000 . 1 . . . . . 54 ASP CB . 27569 1 208 . 1 1 54 54 ASP N N 15 122.447 0.020 . 1 . . . . . 54 ASP N . 27569 1 209 . 1 1 55 55 SER H H 1 8.254 0.006 . 1 . . . . . 55 SER HN . 27569 1 210 . 1 1 55 55 SER C C 13 174.492 0.000 . 1 . . . . . 55 SER C . 27569 1 211 . 1 1 55 55 SER CA C 13 58.770 0.000 . 1 . . . . . 55 SER CA . 27569 1 212 . 1 1 55 55 SER CB C 13 63.702 0.000 . 1 . . . . . 55 SER CB . 27569 1 213 . 1 1 55 55 SER N N 15 115.898 0.024 . 1 . . . . . 55 SER N . 27569 1 214 . 1 1 56 56 CYS H H 1 8.337 0.006 . 1 . . . . . 56 CYS HN . 27569 1 215 . 1 1 56 56 CYS C C 13 174.206 0.000 . 1 . . . . . 56 CYS C . 27569 1 216 . 1 1 56 56 CYS CA C 13 58.763 0.000 . 1 . . . . . 56 CYS CA . 27569 1 217 . 1 1 56 56 CYS CB C 13 27.881 0.000 . 1 . . . . . 56 CYS CB . 27569 1 218 . 1 1 56 56 CYS N N 15 120.285 0.010 . 1 . . . . . 56 CYS N . 27569 1 219 . 1 1 57 57 GLN H H 1 8.239 0.006 . 1 . . . . . 57 GLN HN . 27569 1 220 . 1 1 57 57 GLN C C 13 173.948 0.000 . 1 . . . . . 57 GLN C . 27569 1 221 . 1 1 57 57 GLN CA C 13 54.072 0.000 . 1 . . . . . 57 GLN CA . 27569 1 222 . 1 1 57 57 GLN CB C 13 28.809 0.000 . 1 . . . . . 57 GLN CB . 27569 1 223 . 1 1 57 57 GLN N N 15 122.745 0.001 . 1 . . . . . 57 GLN N . 27569 1 224 . 1 1 59 59 TYR H H 1 8.058 0.003 . 1 . . . . . 59 TYR HN . 27569 1 225 . 1 1 59 59 TYR C C 13 175.647 0.000 . 1 . . . . . 59 TYR C . 27569 1 226 . 1 1 59 59 TYR CA C 13 57.955 0.000 . 1 . . . . . 59 TYR CA . 27569 1 227 . 1 1 59 59 TYR CB C 13 38.328 0.000 . 1 . . . . . 59 TYR CB . 27569 1 228 . 1 1 59 59 TYR N N 15 119.517 0.004 . 1 . . . . . 59 TYR N . 27569 1 229 . 1 1 60 60 ARG H H 1 7.997 0.007 . 1 . . . . . 60 ARG HN . 27569 1 230 . 1 1 60 60 ARG C C 13 175.736 0.000 . 1 . . . . . 60 ARG C . 27569 1 231 . 1 1 60 60 ARG CA C 13 55.892 0.000 . 1 . . . . . 60 ARG CA . 27569 1 232 . 1 1 60 60 ARG CB C 13 31.015 0.000 . 1 . . . . . 60 ARG CB . 27569 1 233 . 1 1 60 60 ARG N N 15 122.821 0.100 . 1 . . . . . 60 ARG N . 27569 1 234 . 1 1 61 61 SER H H 1 8.195 0.005 . 1 . . . . . 61 SER HN . 27569 1 235 . 1 1 61 61 SER C C 13 174.453 0.000 . 1 . . . . . 61 SER C . 27569 1 236 . 1 1 61 61 SER CA C 13 58.501 0.000 . 1 . . . . . 61 SER CA . 27569 1 237 . 1 1 61 61 SER CB C 13 63.922 0.000 . 1 . . . . . 61 SER CB . 27569 1 238 . 1 1 61 61 SER N N 15 116.773 0.001 . 1 . . . . . 61 SER N . 27569 1 239 . 1 1 62 62 ALA H H 1 8.342 0.003 . 1 . . . . . 62 ALA HN . 27569 1 240 . 1 1 62 62 ALA C C 13 177.634 0.000 . 1 . . . . . 62 ALA C . 27569 1 241 . 1 1 62 62 ALA CA C 13 53.312 0.000 . 1 . . . . . 62 ALA CA . 27569 1 242 . 1 1 62 62 ALA CB C 13 18.874 0.000 . 1 . . . . . 62 ALA CB . 27569 1 243 . 1 1 62 62 ALA N N 15 125.348 0.002 . 1 . . . . . 62 ALA N . 27569 1 244 . 1 1 63 63 PHE H H 1 8.002 0.006 . 1 . . . . . 63 PHE HN . 27569 1 245 . 1 1 63 63 PHE C C 13 175.526 0.000 . 1 . . . . . 63 PHE C . 27569 1 246 . 1 1 63 63 PHE CA C 13 58.249 0.000 . 1 . . . . . 63 PHE CA . 27569 1 247 . 1 1 63 63 PHE CB C 13 39.391 0.000 . 1 . . . . . 63 PHE CB . 27569 1 248 . 1 1 63 63 PHE N N 15 117.871 0.001 . 1 . . . . . 63 PHE N . 27569 1 249 . 1 1 64 64 TYR H H 1 7.830 0.008 . 1 . . . . . 64 TYR HN . 27569 1 250 . 1 1 64 64 TYR C C 13 175.726 0.000 . 1 . . . . . 64 TYR C . 27569 1 251 . 1 1 64 64 TYR CA C 13 58.619 0.000 . 1 . . . . . 64 TYR CA . 27569 1 252 . 1 1 64 64 TYR CB C 13 38.831 0.000 . 1 . . . . . 64 TYR CB . 27569 1 253 . 1 1 64 64 TYR N N 15 120.801 0.002 . 1 . . . . . 64 TYR N . 27569 1 254 . 1 1 65 65 VAL H H 1 7.865 0.006 . 1 . . . . . 65 VAL HN . 27569 1 255 . 1 1 65 65 VAL C C 13 176.252 0.000 . 1 . . . . . 65 VAL C . 27569 1 256 . 1 1 65 65 VAL CA C 13 63.183 0.000 . 1 . . . . . 65 VAL CA . 27569 1 257 . 1 1 65 65 VAL CB C 13 32.657 0.000 . 1 . . . . . 65 VAL CB . 27569 1 258 . 1 1 65 65 VAL N N 15 121.275 0.001 . 1 . . . . . 65 VAL N . 27569 1 259 . 1 1 66 66 LEU H H 1 8.021 0.007 . 1 . . . . . 66 LEU HN . 27569 1 260 . 1 1 66 66 LEU C C 13 177.960 0.000 . 1 . . . . . 66 LEU C . 27569 1 261 . 1 1 66 66 LEU CA C 13 56.042 0.000 . 1 . . . . . 66 LEU CA . 27569 1 262 . 1 1 66 66 LEU CB C 13 42.121 0.000 . 1 . . . . . 66 LEU CB . 27569 1 263 . 1 1 66 66 LEU N N 15 124.197 0.001 . 1 . . . . . 66 LEU N . 27569 1 264 . 1 1 67 67 GLU H H 1 8.284 0.007 . 1 . . . . . 67 GLU HN . 27569 1 265 . 1 1 67 67 GLU C C 13 177.110 0.000 . 1 . . . . . 67 GLU C . 27569 1 266 . 1 1 67 67 GLU CA C 13 57.429 0.000 . 1 . . . . . 67 GLU CA . 27569 1 267 . 1 1 67 67 GLU CB C 13 29.996 0.000 . 1 . . . . . 67 GLU CB . 27569 1 268 . 1 1 67 67 GLU N N 15 121.278 0.005 . 1 . . . . . 67 GLU N . 27569 1 269 . 1 1 68 68 GLN H H 1 8.196 0.006 . 1 . . . . . 68 GLN HN . 27569 1 270 . 1 1 68 68 GLN C C 13 176.513 0.000 . 1 . . . . . 68 GLN C . 27569 1 271 . 1 1 68 68 GLN CA C 13 56.599 0.000 . 1 . . . . . 68 GLN CA . 27569 1 272 . 1 1 68 68 GLN CB C 13 29.170 0.000 . 1 . . . . . 68 GLN CB . 27569 1 273 . 1 1 68 68 GLN N N 15 119.726 0.002 . 1 . . . . . 68 GLN N . 27569 1 274 . 1 1 69 69 GLN H H 1 8.220 0.007 . 1 . . . . . 69 GLN HN . 27569 1 275 . 1 1 69 69 GLN C C 13 176.240 0.000 . 1 . . . . . 69 GLN C . 27569 1 276 . 1 1 69 69 GLN CA C 13 56.575 0.000 . 1 . . . . . 69 GLN CA . 27569 1 277 . 1 1 69 69 GLN CB C 13 29.220 0.000 . 1 . . . . . 69 GLN CB . 27569 1 278 . 1 1 69 69 GLN N N 15 120.062 0.036 . 1 . . . . . 69 GLN N . 27569 1 279 . 1 1 70 70 ARG H H 1 8.181 0.001 . 1 . . . . . 70 ARG HN . 27569 1 280 . 1 1 70 70 ARG C C 13 176.386 0.000 . 1 . . . . . 70 ARG C . 27569 1 281 . 1 1 70 70 ARG CA C 13 56.594 0.000 . 1 . . . . . 70 ARG CA . 27569 1 282 . 1 1 70 70 ARG CB C 13 30.651 0.000 . 1 . . . . . 70 ARG CB . 27569 1 283 . 1 1 70 70 ARG N N 15 121.524 0.000 . 1 . . . . . 70 ARG N . 27569 1 284 . 1 1 71 71 VAL H H 1 8.046 0.005 . 1 . . . . . 71 VAL HN . 27569 1 285 . 1 1 71 71 VAL C C 13 176.588 0.000 . 1 . . . . . 71 VAL C . 27569 1 286 . 1 1 71 71 VAL CA C 13 62.618 0.000 . 1 . . . . . 71 VAL CA . 27569 1 287 . 1 1 71 71 VAL CB C 13 32.688 0.000 . 1 . . . . . 71 VAL CB . 27569 1 288 . 1 1 71 71 VAL N N 15 120.122 0.001 . 1 . . . . . 71 VAL N . 27569 1 289 . 1 1 72 72 GLY H H 1 8.370 0.008 . 1 . . . . . 72 GLY HN . 27569 1 290 . 1 1 72 72 GLY C C 13 173.800 0.000 . 1 . . . . . 72 GLY C . 27569 1 291 . 1 1 72 72 GLY CA C 13 45.406 0.000 . 1 . . . . . 72 GLY CA . 27569 1 292 . 1 1 72 72 GLY N N 15 111.965 0.007 . 1 . . . . . 72 GLY N . 27569 1 293 . 1 1 73 73 LEU H H 1 7.985 0.006 . 1 . . . . . 73 LEU HN . 27569 1 294 . 1 1 73 73 LEU C C 13 176.832 0.000 . 1 . . . . . 73 LEU C . 27569 1 295 . 1 1 73 73 LEU CA C 13 54.950 0.000 . 1 . . . . . 73 LEU CA . 27569 1 296 . 1 1 73 73 LEU CB C 13 42.894 0.000 . 1 . . . . . 73 LEU CB . 27569 1 297 . 1 1 73 73 LEU N N 15 121.668 0.002 . 1 . . . . . 73 LEU N . 27569 1 298 . 1 1 74 74 ALA H H 1 8.265 0.005 . 1 . . . . . 74 ALA HN . 27569 1 299 . 1 1 74 74 ALA C C 13 177.333 0.000 . 1 . . . . . 74 ALA C . 27569 1 300 . 1 1 74 74 ALA CA C 13 52.745 0.000 . 1 . . . . . 74 ALA CA . 27569 1 301 . 1 1 74 74 ALA CB C 13 19.257 0.000 . 1 . . . . . 74 ALA CB . 27569 1 302 . 1 1 74 74 ALA N N 15 124.983 0.016 . 1 . . . . . 74 ALA N . 27569 1 303 . 1 1 75 75 ILE H H 1 7.977 0.004 . 1 . . . . . 75 ILE HN . 27569 1 304 . 1 1 75 75 ILE C C 13 175.532 0.000 . 1 . . . . . 75 ILE C . 27569 1 305 . 1 1 75 75 ILE CA C 13 60.977 0.000 . 1 . . . . . 75 ILE CA . 27569 1 306 . 1 1 75 75 ILE CB C 13 39.103 0.000 . 1 . . . . . 75 ILE CB . 27569 1 307 . 1 1 75 75 ILE N N 15 119.596 0.028 . 1 . . . . . 75 ILE N . 27569 1 308 . 1 1 76 76 ASP H H 1 8.341 0.006 . 1 . . . . . 76 ASP HN . 27569 1 309 . 1 1 76 76 ASP C C 13 176.322 0.000 . 1 . . . . . 76 ASP C . 27569 1 310 . 1 1 76 76 ASP CA C 13 54.127 0.000 . 1 . . . . . 76 ASP CA . 27569 1 311 . 1 1 76 76 ASP CB C 13 41.265 0.000 . 1 . . . . . 76 ASP CB . 27569 1 312 . 1 1 76 76 ASP N N 15 124.025 0.012 . 1 . . . . . 76 ASP N . 27569 1 313 . 1 1 77 77 MET H H 1 8.338 0.004 . 1 . . . . . 77 MET HN . 27569 1 314 . 1 1 77 77 MET C C 13 176.314 0.058 . 1 . . . . . 77 MET C . 27569 1 315 . 1 1 77 77 MET CA C 13 56.053 0.012 . 1 . . . . . 77 MET CA . 27569 1 316 . 1 1 77 77 MET CB C 13 32.794 0.005 . 1 . . . . . 77 MET CB . 27569 1 317 . 1 1 77 77 MET N N 15 121.267 0.127 . 1 . . . . . 77 MET N . 27569 1 318 . 1 1 78 78 ASP H H 1 8.415 0.007 . 1 . . . . . 78 ASP HN . 27569 1 319 . 1 1 78 78 ASP C C 13 176.687 0.000 . 1 . . . . . 78 ASP C . 27569 1 320 . 1 1 78 78 ASP CA C 13 55.246 0.000 . 1 . . . . . 78 ASP CA . 27569 1 321 . 1 1 78 78 ASP CB C 13 41.043 0.000 . 1 . . . . . 78 ASP CB . 27569 1 322 . 1 1 78 78 ASP N N 15 120.818 0.002 . 1 . . . . . 78 ASP N . 27569 1 323 . 1 1 79 79 GLU H H 1 8.150 0.008 . 1 . . . . . 79 GLU HN . 27569 1 324 . 1 1 79 79 GLU C C 13 176.933 0.000 . 1 . . . . . 79 GLU C . 27569 1 325 . 1 1 79 79 GLU CA C 13 57.065 0.000 . 1 . . . . . 79 GLU CA . 27569 1 326 . 1 1 79 79 GLU CB C 13 30.093 0.000 . 1 . . . . . 79 GLU CB . 27569 1 327 . 1 1 79 79 GLU N N 15 120.309 0.051 . 1 . . . . . 79 GLU N . 27569 1 328 . 1 1 80 80 ILE H H 1 7.905 0.006 . 1 . . . . . 80 ILE HN . 27569 1 329 . 1 1 80 80 ILE C C 13 176.876 0.000 . 1 . . . . . 80 ILE C . 27569 1 330 . 1 1 80 80 ILE CA C 13 62.314 0.000 . 1 . . . . . 80 ILE CA . 27569 1 331 . 1 1 80 80 ILE CB C 13 38.487 0.000 . 1 . . . . . 80 ILE CB . 27569 1 332 . 1 1 80 80 ILE N N 15 120.678 0.003 . 1 . . . . . 80 ILE N . 27569 1 333 . 1 1 81 81 GLU H H 1 8.377 0.007 . 1 . . . . . 81 GLU HN . 27569 1 334 . 1 1 81 81 GLU C C 13 177.030 0.000 . 1 . . . . . 81 GLU C . 27569 1 335 . 1 1 81 81 GLU CA C 13 57.551 0.000 . 1 . . . . . 81 GLU CA . 27569 1 336 . 1 1 81 81 GLU CB C 13 29.807 0.000 . 1 . . . . . 81 GLU CB . 27569 1 337 . 1 1 81 81 GLU N N 15 122.781 0.057 . 1 . . . . . 81 GLU N . 27569 1 338 . 1 1 82 82 LYS H H 1 8.032 0.005 . 1 . . . . . 82 LYS HN . 27569 1 339 . 1 1 82 82 LYS C C 13 176.764 0.000 . 1 . . . . . 82 LYS C . 27569 1 340 . 1 1 82 82 LYS CA C 13 56.944 0.000 . 1 . . . . . 82 LYS CA . 27569 1 341 . 1 1 82 82 LYS CB C 13 32.828 0.000 . 1 . . . . . 82 LYS CB . 27569 1 342 . 1 1 82 82 LYS N N 15 120.846 0.051 . 1 . . . . . 82 LYS N . 27569 1 343 . 1 1 83 83 TYR H H 1 8.032 0.006 . 1 . . . . . 83 TYR HN . 27569 1 344 . 1 1 83 83 TYR C C 13 175.862 0.000 . 1 . . . . . 83 TYR C . 27569 1 345 . 1 1 83 83 TYR CA C 13 58.497 0.000 . 1 . . . . . 83 TYR CA . 27569 1 346 . 1 1 83 83 TYR CB C 13 38.542 0.000 . 1 . . . . . 83 TYR CB . 27569 1 347 . 1 1 83 83 TYR N N 15 120.274 0.010 . 1 . . . . . 83 TYR N . 27569 1 348 . 1 1 86 86 VAL H H 1 8.196 0.003 . 1 . . . . . 86 VAL HN . 27569 1 349 . 1 1 86 86 VAL C C 13 175.924 0.000 . 1 . . . . . 86 VAL C . 27569 1 350 . 1 1 86 86 VAL CA C 13 62.312 0.000 . 1 . . . . . 86 VAL CA . 27569 1 351 . 1 1 86 86 VAL CB C 13 32.796 0.000 . 1 . . . . . 86 VAL CB . 27569 1 352 . 1 1 86 86 VAL N N 15 122.039 0.003 . 1 . . . . . 86 VAL N . 27569 1 353 . 1 1 87 87 LEU H H 1 8.359 0.004 . 1 . . . . . 87 LEU HN . 27569 1 354 . 1 1 87 87 LEU C C 13 177.287 0.000 . 1 . . . . . 87 LEU C . 27569 1 355 . 1 1 87 87 LEU CA C 13 54.988 0.000 . 1 . . . . . 87 LEU CA . 27569 1 356 . 1 1 87 87 LEU CB C 13 42.184 0.000 . 1 . . . . . 87 LEU CB . 27569 1 357 . 1 1 87 87 LEU N N 15 126.609 0.025 . 1 . . . . . 87 LEU N . 27569 1 358 . 1 1 88 88 GLU H H 1 8.421 0.003 . 1 . . . . . 88 GLU HN . 27569 1 359 . 1 1 88 88 GLU C C 13 175.679 0.000 . 1 . . . . . 88 GLU C . 27569 1 360 . 1 1 88 88 GLU CA C 13 56.065 0.000 . 1 . . . . . 88 GLU CA . 27569 1 361 . 1 1 88 88 GLU CB C 13 29.587 0.000 . 1 . . . . . 88 GLU CB . 27569 1 362 . 1 1 88 88 GLU N N 15 121.663 0.011 . 1 . . . . . 88 GLU N . 27569 1 stop_ save_