data_50908 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50908 _Entry.Title ; human CSNAP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-22 _Entry.Accession_date 2021-04-22 _Entry.Last_release_date 2021-04-22 _Entry.Original_release_date 2021-04-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 15N, C13 backbone NMR assignment of human COP9 signalosome subunit CSNAP' _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 Sarah Ruidiaz . F. . . 50908 2 Jesper Dreier . E. . . 50908 3 Rasmus Hartmann-Petersen . . . 0000-0002-4155-7791 50908 4 Birthe Kragelund . B. . 0000-0002-7454-1761 50908 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and NMR Laboratory' . 50908 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50908 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 50908 '15N chemical shifts' 53 50908 '1H chemical shifts' 53 50908 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 . . 2021-11-09 2021-04-22 update BMRB 'update entry citation' 50908 1 . . 2021-08-16 2021-04-22 original author 'original release' 50908 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50906 'human Dss1' 50908 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50908 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34272906 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The disordered PCI-binding human proteins CSNAP and DSS1 have diverged in structure and function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 10 _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 2069 _Citation.Page_last 2082 _Citation.Year 2021 _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 Sarah Ruidiaz . F. . . 50908 1 2 Jesper Dreier . E. . . 50908 1 3 Rasmus Hartmann-Petersen . . . . 50908 1 4 Birthe Kragelund . B. . . 50908 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50908 _Assembly.ID 1 _Assembly.Name CSNAP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 CSNAP 1 $entity_1 . . yes native no no . . . 50908 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50908 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMKPAVDEMFPEGAGPYVDL DEAGGSTGLLMDLAANEKAV HADFFNDFEDLFDDDDIQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0 G 1 M 2 K ..... 55 D 56 I 57 Q ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 0 GLY . 50908 1 2 1 MET . 50908 1 3 2 LYS . 50908 1 4 3 PRO . 50908 1 5 4 ALA . 50908 1 6 5 VAL . 50908 1 7 6 ASP . 50908 1 8 7 GLU . 50908 1 9 8 MET . 50908 1 10 9 PHE . 50908 1 11 10 PRO . 50908 1 12 11 GLU . 50908 1 13 12 GLY . 50908 1 14 13 ALA . 50908 1 15 14 GLY . 50908 1 16 15 PRO . 50908 1 17 16 TYR . 50908 1 18 17 VAL . 50908 1 19 18 ASP . 50908 1 20 19 LEU . 50908 1 21 20 ASP . 50908 1 22 21 GLU . 50908 1 23 22 ALA . 50908 1 24 23 GLY . 50908 1 25 24 GLY . 50908 1 26 25 SER . 50908 1 27 26 THR . 50908 1 28 27 GLY . 50908 1 29 28 LEU . 50908 1 30 29 LEU . 50908 1 31 30 MET . 50908 1 32 31 ASP . 50908 1 33 32 LEU . 50908 1 34 33 ALA . 50908 1 35 34 ALA . 50908 1 36 35 ASN . 50908 1 37 36 GLU . 50908 1 38 37 LYS . 50908 1 39 38 ALA . 50908 1 40 39 VAL . 50908 1 41 40 HIS . 50908 1 42 41 ALA . 50908 1 43 42 ASP . 50908 1 44 43 PHE . 50908 1 45 44 PHE . 50908 1 46 45 ASN . 50908 1 47 46 ASP . 50908 1 48 47 PHE . 50908 1 49 48 GLU . 50908 1 50 49 ASP . 50908 1 51 50 LEU . 50908 1 52 51 PHE . 50908 1 53 52 ASP . 50908 1 54 53 ASP . 50908 1 55 54 ASP . 50908 1 56 55 ASP . 50908 1 57 56 ILE . 50908 1 58 57 GLN . 50908 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 50908 1 . MET 2 2 50908 1 . LYS 3 3 50908 1 . PRO 4 4 50908 1 . ALA 5 5 50908 1 . VAL 6 6 50908 1 . ASP 7 7 50908 1 . GLU 8 8 50908 1 . MET 9 9 50908 1 . PHE 10 10 50908 1 . PRO 11 11 50908 1 . GLU 12 12 50908 1 . GLY 13 13 50908 1 . ALA 14 14 50908 1 . GLY 15 15 50908 1 . PRO 16 16 50908 1 . TYR 17 17 50908 1 . VAL 18 18 50908 1 . ASP 19 19 50908 1 . LEU 20 20 50908 1 . ASP 21 21 50908 1 . GLU 22 22 50908 1 . ALA 23 23 50908 1 . GLY 24 24 50908 1 . GLY 25 25 50908 1 . SER 26 26 50908 1 . THR 27 27 50908 1 . GLY 28 28 50908 1 . LEU 29 29 50908 1 . LEU 30 30 50908 1 . MET 31 31 50908 1 . ASP 32 32 50908 1 . LEU 33 33 50908 1 . ALA 34 34 50908 1 . ALA 35 35 50908 1 . ASN 36 36 50908 1 . GLU 37 37 50908 1 . LYS 38 38 50908 1 . ALA 39 39 50908 1 . VAL 40 40 50908 1 . HIS 41 41 50908 1 . ALA 42 42 50908 1 . ASP 43 43 50908 1 . PHE 44 44 50908 1 . PHE 45 45 50908 1 . ASN 46 46 50908 1 . ASP 47 47 50908 1 . PHE 48 48 50908 1 . GLU 49 49 50908 1 . ASP 50 50 50908 1 . LEU 51 51 50908 1 . PHE 52 52 50908 1 . ASP 53 53 50908 1 . ASP 54 54 50908 1 . ASP 55 55 50908 1 . ASP 56 56 50908 1 . ILE 57 57 50908 1 . GLN 58 58 50908 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50908 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50908 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50908 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pD454-GST . . . 50908 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50908 _Sample.ID 1 _Sample.Name '15N 13C hCSNAP' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 CSNAP '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 210 . . uM . . . . 50908 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50908 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50908 1 4 DSS 'natural abundance' . . . . . . 1 . . % . . . . 50908 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 50908 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 50908 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Near physiological pH and ionic strength' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50908 1 pH 7.4 . pH 50908 1 pressure 1 . atm 50908 1 temperature 283 . K 50908 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50908 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50908 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50908 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50908 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 750 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50908 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50908 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50908 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50908 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50908 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50908 1 6 '3D HN(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50908 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50908 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 internal indirect . . . . . . 50908 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50908 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50908 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50908 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone assignment of human CSNAP' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50908 1 2 '3D HNCO' . . . 50908 1 3 '3D HN(CA)CO' . . . 50908 1 4 '3D HNCACB' . . . 50908 1 5 '3D CBCA(CO)NH' . . . 50908 1 6 '3D HN(CA)NNH' . . . 50908 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50908 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 MET C C 13 176.195 0.005 . 1 . . . . . 1 MET C . 50908 1 2 . 1 . 1 2 2 MET CA C 13 55.373 0.000 . 1 . . . . . 1 MET CA . 50908 1 3 . 1 . 1 2 2 MET CB C 13 33.074 0.100 . 1 . . . . . 1 MET CB . 50908 1 4 . 1 . 1 3 3 LYS H H 1 8.625 0.001 . 1 . . . . . 2 LYS H . 50908 1 5 . 1 . 1 3 3 LYS C C 13 174.322 0.000 . 1 . . . . . 2 LYS C . 50908 1 6 . 1 . 1 3 3 LYS CA C 13 54.387 0.000 . 1 . . . . . 2 LYS CA . 50908 1 7 . 1 . 1 3 3 LYS CB C 13 32.756 0.000 . 1 . . . . . 2 LYS CB . 50908 1 8 . 1 . 1 3 3 LYS N N 15 125.078 0.011 . 1 . . . . . 2 LYS N . 50908 1 9 . 1 . 1 4 4 PRO C C 13 176.479 0.000 . 1 . . . . . 3 PRO C . 50908 1 10 . 1 . 1 4 4 PRO CA C 13 62.950 0.000 . 1 . . . . . 3 PRO CA . 50908 1 11 . 1 . 1 4 4 PRO CB C 13 32.184 0.000 . 1 . . . . . 3 PRO CB . 50908 1 12 . 1 . 1 5 5 ALA H H 1 8.556 0.001 . 1 . . . . . 4 ALA H . 50908 1 13 . 1 . 1 5 5 ALA C C 13 177.982 0.018 . 1 . . . . . 4 ALA C . 50908 1 14 . 1 . 1 5 5 ALA CA C 13 52.445 0.022 . 1 . . . . . 4 ALA CA . 50908 1 15 . 1 . 1 5 5 ALA CB C 13 19.237 0.057 . 1 . . . . . 4 ALA CB . 50908 1 16 . 1 . 1 5 5 ALA N N 15 125.200 0.009 . 1 . . . . . 4 ALA N . 50908 1 17 . 1 . 1 6 6 VAL H H 1 8.224 0.001 . 1 . . . . . 5 VAL H . 50908 1 18 . 1 . 1 6 6 VAL C C 13 175.860 0.012 . 1 . . . . . 5 VAL C . 50908 1 19 . 1 . 1 6 6 VAL CA C 13 62.284 0.030 . 1 . . . . . 5 VAL CA . 50908 1 20 . 1 . 1 6 6 VAL CB C 13 32.994 0.073 . 1 . . . . . 5 VAL CB . 50908 1 21 . 1 . 1 6 6 VAL N N 15 119.191 0.019 . 1 . . . . . 5 VAL N . 50908 1 22 . 1 . 1 7 7 ASP H H 1 8.440 0.002 . 1 . . . . . 6 ASP H . 50908 1 23 . 1 . 1 7 7 ASP C C 13 176.205 0.004 . 1 . . . . . 6 ASP C . 50908 1 24 . 1 . 1 7 7 ASP CA C 13 54.312 0.030 . 1 . . . . . 6 ASP CA . 50908 1 25 . 1 . 1 7 7 ASP CB C 13 41.217 0.043 . 1 . . . . . 6 ASP CB . 50908 1 26 . 1 . 1 7 7 ASP N N 15 123.558 0.019 . 1 . . . . . 6 ASP N . 50908 1 27 . 1 . 1 8 8 GLU H H 1 8.328 0.002 . 1 . . . . . 7 GLU H . 50908 1 28 . 1 . 1 8 8 GLU C C 13 176.300 0.001 . 1 . . . . . 7 GLU C . 50908 1 29 . 1 . 1 8 8 GLU CA C 13 56.666 0.009 . 1 . . . . . 7 GLU CA . 50908 1 30 . 1 . 1 8 8 GLU CB C 13 30.294 0.022 . 1 . . . . . 7 GLU CB . 50908 1 31 . 1 . 1 8 8 GLU N N 15 121.642 0.073 . 1 . . . . . 7 GLU N . 50908 1 32 . 1 . 1 9 9 MET H H 1 8.346 0.002 . 1 . . . . . 8 MET H . 50908 1 33 . 1 . 1 9 9 MET C C 13 175.634 0.001 . 1 . . . . . 8 MET C . 50908 1 34 . 1 . 1 9 9 MET CA C 13 55.871 0.000 . 1 . . . . . 8 MET CA . 50908 1 35 . 1 . 1 9 9 MET CB C 13 40.169 0.000 . 1 . . . . . 8 MET CB . 50908 1 36 . 1 . 1 9 9 MET N N 15 120.832 0.145 . 1 . . . . . 8 MET N . 50908 1 37 . 1 . 1 10 10 PHE H H 1 8.328 0.004 . 1 . . . . . 9 PHE H . 50908 1 38 . 1 . 1 10 10 PHE C C 13 173.812 0.000 . 1 . . . . . 9 PHE C . 50908 1 39 . 1 . 1 10 10 PHE CA C 13 54.757 0.000 . 1 . . . . . 9 PHE CA . 50908 1 40 . 1 . 1 10 10 PHE CB C 13 39.311 0.000 . 1 . . . . . 9 PHE CB . 50908 1 41 . 1 . 1 10 10 PHE N N 15 121.154 0.054 . 1 . . . . . 9 PHE N . 50908 1 42 . 1 . 1 11 11 PRO C C 13 177.055 0.000 . 1 . . . . . 10 PRO C . 50908 1 43 . 1 . 1 11 11 PRO CA C 13 63.302 0.024 . 1 . . . . . 10 PRO CA . 50908 1 44 . 1 . 1 11 11 PRO CB C 13 32.095 0.031 . 1 . . . . . 10 PRO CB . 50908 1 45 . 1 . 1 12 12 GLU H H 1 8.713 0.001 . 1 . . . . . 11 GLU H . 50908 1 46 . 1 . 1 12 12 GLU C C 13 177.365 0.017 . 1 . . . . . 11 GLU C . 50908 1 47 . 1 . 1 12 12 GLU CA C 13 57.004 0.003 . 1 . . . . . 11 GLU CA . 50908 1 48 . 1 . 1 12 12 GLU CB C 13 29.998 0.018 . 1 . . . . . 11 GLU CB . 50908 1 49 . 1 . 1 12 12 GLU N N 15 121.084 0.020 . 1 . . . . . 11 GLU N . 50908 1 50 . 1 . 1 13 13 GLY H H 1 8.532 0.002 . 1 . . . . . 12 GLY H . 50908 1 51 . 1 . 1 13 13 GLY C C 13 173.797 0.003 . 1 . . . . . 12 GLY C . 50908 1 52 . 1 . 1 13 13 GLY CA C 13 45.286 0.009 . 1 . . . . . 12 GLY CA . 50908 1 53 . 1 . 1 13 13 GLY N N 15 110.780 0.019 . 1 . . . . . 12 GLY N . 50908 1 54 . 1 . 1 14 14 ALA H H 1 8.262 0.001 . 1 . . . . . 13 ALA H . 50908 1 55 . 1 . 1 14 14 ALA C C 13 177.779 0.002 . 1 . . . . . 13 ALA C . 50908 1 56 . 1 . 1 14 14 ALA CA C 13 52.113 0.106 . 1 . . . . . 13 ALA CA . 50908 1 57 . 1 . 1 14 14 ALA CB C 13 19.792 0.091 . 1 . . . . . 13 ALA CB . 50908 1 58 . 1 . 1 14 14 ALA N N 15 123.746 0.027 . 1 . . . . . 13 ALA N . 50908 1 59 . 1 . 1 15 15 GLY H H 1 8.288 0.001 . 1 . . . . . 14 GLY H . 50908 1 60 . 1 . 1 15 15 GLY C C 13 171.694 0.000 . 1 . . . . . 14 GLY C . 50908 1 61 . 1 . 1 15 15 GLY CA C 13 44.439 0.000 . 1 . . . . . 14 GLY CA . 50908 1 62 . 1 . 1 15 15 GLY N N 15 108.373 0.022 . 1 . . . . . 14 GLY N . 50908 1 63 . 1 . 1 16 16 PRO C C 13 176.644 0.000 . 1 . . . . . 15 PRO C . 50908 1 64 . 1 . 1 16 16 PRO CA C 13 62.884 0.000 . 1 . . . . . 15 PRO CA . 50908 1 65 . 1 . 1 16 16 PRO CB C 13 32.083 0.034 . 1 . . . . . 15 PRO CB . 50908 1 66 . 1 . 1 17 17 TYR H H 1 8.377 0.003 . 1 . . . . . 16 TYR H . 50908 1 67 . 1 . 1 17 17 TYR C C 13 175.583 0.005 . 1 . . . . . 16 TYR C . 50908 1 68 . 1 . 1 17 17 TYR CA C 13 58.059 0.015 . 1 . . . . . 16 TYR CA . 50908 1 69 . 1 . 1 17 17 TYR CB C 13 38.623 0.038 . 1 . . . . . 16 TYR CB . 50908 1 70 . 1 . 1 17 17 TYR N N 15 121.143 0.047 . 1 . . . . . 16 TYR N . 50908 1 71 . 1 . 1 18 18 VAL H H 1 7.831 0.005 . 1 . . . . . 17 VAL H . 50908 1 72 . 1 . 1 18 18 VAL C C 13 174.634 0.004 . 1 . . . . . 17 VAL C . 50908 1 73 . 1 . 1 18 18 VAL CA C 13 61.649 0.000 . 1 . . . . . 17 VAL CA . 50908 1 74 . 1 . 1 18 18 VAL CB C 13 33.466 0.032 . 1 . . . . . 17 VAL CB . 50908 1 75 . 1 . 1 18 18 VAL N N 15 124.362 0.105 . 1 . . . . . 17 VAL N . 50908 1 76 . 1 . 1 19 19 ASP H H 1 8.376 0.004 . 1 . . . . . 18 ASP H . 50908 1 77 . 1 . 1 19 19 ASP C C 13 176.278 0.007 . 1 . . . . . 18 ASP C . 50908 1 78 . 1 . 1 19 19 ASP CA C 13 53.997 0.014 . 1 . . . . . 18 ASP CA . 50908 1 79 . 1 . 1 19 19 ASP CB C 13 41.257 0.055 . 1 . . . . . 18 ASP CB . 50908 1 80 . 1 . 1 19 19 ASP N N 15 124.561 0.093 . 1 . . . . . 18 ASP N . 50908 1 81 . 1 . 1 20 20 LEU H H 1 8.365 0.002 . 1 . . . . . 19 LEU H . 50908 1 82 . 1 . 1 20 20 LEU C C 13 177.503 0.004 . 1 . . . . . 19 LEU C . 50908 1 83 . 1 . 1 20 20 LEU CA C 13 55.373 0.022 . 1 . . . . . 19 LEU CA . 50908 1 84 . 1 . 1 20 20 LEU CB C 13 42.543 0.041 . 1 . . . . . 19 LEU CB . 50908 1 85 . 1 . 1 20 20 LEU N N 15 124.243 0.020 . 1 . . . . . 19 LEU N . 50908 1 86 . 1 . 1 21 21 ASP H H 1 8.469 0.004 . 1 . . . . . 20 ASP H . 50908 1 87 . 1 . 1 21 21 ASP C C 13 176.780 0.008 . 1 . . . . . 20 ASP C . 50908 1 88 . 1 . 1 21 21 ASP CA C 13 54.564 0.078 . 1 . . . . . 20 ASP CA . 50908 1 89 . 1 . 1 21 21 ASP CB C 13 41.106 0.001 . 1 . . . . . 20 ASP CB . 50908 1 90 . 1 . 1 21 21 ASP N N 15 121.167 0.047 . 1 . . . . . 20 ASP N . 50908 1 91 . 1 . 1 22 22 GLU H H 1 8.361 0.006 . 1 . . . . . 21 GLU H . 50908 1 92 . 1 . 1 22 22 GLU C C 13 176.835 0.010 . 1 . . . . . 21 GLU C . 50908 1 93 . 1 . 1 22 22 GLU CA C 13 56.995 0.042 . 1 . . . . . 21 GLU CA . 50908 1 94 . 1 . 1 22 22 GLU CB C 13 30.070 0.005 . 1 . . . . . 21 GLU CB . 50908 1 95 . 1 . 1 22 22 GLU N N 15 121.857 0.019 . 1 . . . . . 21 GLU N . 50908 1 96 . 1 . 1 23 23 ALA H H 1 8.429 0.002 . 1 . . . . . 22 ALA H . 50908 1 97 . 1 . 1 23 23 ALA C C 13 178.652 0.006 . 1 . . . . . 22 ALA C . 50908 1 98 . 1 . 1 23 23 ALA CA C 13 52.949 0.004 . 1 . . . . . 22 ALA CA . 50908 1 99 . 1 . 1 23 23 ALA CB C 13 19.009 0.058 . 1 . . . . . 22 ALA CB . 50908 1 100 . 1 . 1 23 23 ALA N N 15 124.497 0.020 . 1 . . . . . 22 ALA N . 50908 1 101 . 1 . 1 24 24 GLY H H 1 8.394 0.002 . 1 . . . . . 23 GLY H . 50908 1 102 . 1 . 1 24 24 GLY C C 13 175.029 0.007 . 1 . . . . . 23 GLY C . 50908 1 103 . 1 . 1 24 24 GLY CA C 13 45.582 0.012 . 1 . . . . . 23 GLY CA . 50908 1 104 . 1 . 1 24 24 GLY N N 15 108.016 0.025 . 1 . . . . . 23 GLY N . 50908 1 105 . 1 . 1 25 25 GLY H H 1 8.346 0.005 . 1 . . . . . 24 GLY H . 50908 1 106 . 1 . 1 25 25 GLY C C 13 174.512 0.005 . 1 . . . . . 24 GLY C . 50908 1 107 . 1 . 1 25 25 GLY CA C 13 45.320 0.030 . 1 . . . . . 24 GLY CA . 50908 1 108 . 1 . 1 25 25 GLY N N 15 108.825 0.037 . 1 . . . . . 24 GLY N . 50908 1 109 . 1 . 1 26 26 SER H H 1 8.438 0.003 . 1 . . . . . 25 SER H . 50908 1 110 . 1 . 1 26 26 SER C C 13 175.326 0.010 . 1 . . . . . 25 SER C . 50908 1 111 . 1 . 1 26 26 SER CA C 13 58.451 0.036 . 1 . . . . . 25 SER CA . 50908 1 112 . 1 . 1 26 26 SER CB C 13 63.734 0.023 . 1 . . . . . 25 SER CB . 50908 1 113 . 1 . 1 26 26 SER N N 15 115.714 0.048 . 1 . . . . . 25 SER N . 50908 1 114 . 1 . 1 27 27 THR H H 1 8.352 0.003 . 1 . . . . . 26 THR H . 50908 1 115 . 1 . 1 27 27 THR C C 13 175.413 0.019 . 1 . . . . . 26 THR C . 50908 1 116 . 1 . 1 27 27 THR CA C 13 62.333 0.056 . 1 . . . . . 26 THR CA . 50908 1 117 . 1 . 1 27 27 THR CB C 13 69.531 0.049 . 1 . . . . . 26 THR CB . 50908 1 118 . 1 . 1 27 27 THR N N 15 115.642 0.020 . 1 . . . . . 26 THR N . 50908 1 119 . 1 . 1 28 28 GLY H H 1 8.461 0.003 . 1 . . . . . 27 GLY H . 50908 1 120 . 1 . 1 28 28 GLY C C 13 174.103 0.005 . 1 . . . . . 27 GLY C . 50908 1 121 . 1 . 1 28 28 GLY CA C 13 45.467 0.003 . 1 . . . . . 27 GLY CA . 50908 1 122 . 1 . 1 28 28 GLY N N 15 111.065 0.025 . 1 . . . . . 27 GLY N . 50908 1 123 . 1 . 1 29 29 LEU H H 1 8.116 0.005 . 1 . . . . . 28 LEU H . 50908 1 124 . 1 . 1 29 29 LEU C C 13 177.529 0.008 . 1 . . . . . 28 LEU C . 50908 1 125 . 1 . 1 29 29 LEU CA C 13 55.303 0.001 . 1 . . . . . 28 LEU CA . 50908 1 126 . 1 . 1 29 29 LEU CB C 13 42.382 0.075 . 1 . . . . . 28 LEU CB . 50908 1 127 . 1 . 1 29 29 LEU N N 15 121.622 0.042 . 1 . . . . . 28 LEU N . 50908 1 128 . 1 . 1 30 30 LEU H H 1 8.330 0.002 . 1 . . . . . 29 LEU H . 50908 1 129 . 1 . 1 30 30 LEU C C 13 177.526 0.007 . 1 . . . . . 29 LEU C . 50908 1 130 . 1 . 1 30 30 LEU CA C 13 55.336 0.015 . 1 . . . . . 29 LEU CA . 50908 1 131 . 1 . 1 30 30 LEU CB C 13 41.977 0.028 . 1 . . . . . 29 LEU CB . 50908 1 132 . 1 . 1 30 30 LEU N N 15 122.806 0.026 . 1 . . . . . 29 LEU N . 50908 1 133 . 1 . 1 31 31 MET H H 1 8.340 0.003 . 1 . . . . . 30 MET H . 50908 1 134 . 1 . 1 31 31 MET C C 13 175.953 0.003 . 1 . . . . . 30 MET C . 50908 1 135 . 1 . 1 31 31 MET CA C 13 55.489 0.021 . 1 . . . . . 30 MET CA . 50908 1 136 . 1 . 1 31 31 MET CB C 13 32.929 0.015 . 1 . . . . . 30 MET CB . 50908 1 137 . 1 . 1 31 31 MET N N 15 121.191 0.030 . 1 . . . . . 30 MET N . 50908 1 138 . 1 . 1 32 32 ASP H H 1 8.392 0.003 . 1 . . . . . 31 ASP H . 50908 1 139 . 1 . 1 32 32 ASP C C 13 176.520 0.003 . 1 . . . . . 31 ASP C . 50908 1 140 . 1 . 1 32 32 ASP CA C 13 54.295 0.004 . 1 . . . . . 31 ASP CA . 50908 1 141 . 1 . 1 32 32 ASP CB C 13 40.990 0.027 . 1 . . . . . 31 ASP CB . 50908 1 142 . 1 . 1 32 32 ASP N N 15 121.931 0.087 . 1 . . . . . 31 ASP N . 50908 1 143 . 1 . 1 33 33 LEU H H 1 8.305 0.004 . 1 . . . . . 32 LEU H . 50908 1 144 . 1 . 1 33 33 LEU C C 13 177.852 0.003 . 1 . . . . . 32 LEU C . 50908 1 145 . 1 . 1 33 33 LEU CA C 13 55.793 0.065 . 1 . . . . . 32 LEU CA . 50908 1 146 . 1 . 1 33 33 LEU CB C 13 42.061 0.091 . 1 . . . . . 32 LEU CB . 50908 1 147 . 1 . 1 33 33 LEU N N 15 123.459 0.071 . 1 . . . . . 32 LEU N . 50908 1 148 . 1 . 1 34 34 ALA H H 1 8.330 0.004 . 1 . . . . . 33 ALA H . 50908 1 149 . 1 . 1 34 34 ALA C C 13 178.226 0.002 . 1 . . . . . 33 ALA C . 50908 1 150 . 1 . 1 34 34 ALA CA C 13 52.939 0.017 . 1 . . . . . 33 ALA CA . 50908 1 151 . 1 . 1 34 34 ALA CB C 13 18.933 0.012 . 1 . . . . . 33 ALA CB . 50908 1 152 . 1 . 1 34 34 ALA N N 15 123.935 0.069 . 1 . . . . . 33 ALA N . 50908 1 153 . 1 . 1 35 35 ALA H H 1 8.145 0.004 . 1 . . . . . 34 ALA H . 50908 1 154 . 1 . 1 35 35 ALA C C 13 178.156 0.001 . 1 . . . . . 34 ALA C . 50908 1 155 . 1 . 1 35 35 ALA CA C 13 53.128 0.009 . 1 . . . . . 34 ALA CA . 50908 1 156 . 1 . 1 35 35 ALA CB C 13 18.995 0.068 . 1 . . . . . 34 ALA CB . 50908 1 157 . 1 . 1 35 35 ALA N N 15 122.463 0.037 . 1 . . . . . 34 ALA N . 50908 1 158 . 1 . 1 36 36 ASN H H 1 8.322 0.004 . 1 . . . . . 35 ASN H . 50908 1 159 . 1 . 1 36 36 ASN C C 13 175.602 0.002 . 1 . . . . . 35 ASN C . 50908 1 160 . 1 . 1 36 36 ASN CA C 13 53.403 0.005 . 1 . . . . . 35 ASN CA . 50908 1 161 . 1 . 1 36 36 ASN CB C 13 38.862 0.004 . 1 . . . . . 35 ASN CB . 50908 1 162 . 1 . 1 36 36 ASN N N 15 117.295 0.022 . 1 . . . . . 35 ASN N . 50908 1 163 . 1 . 1 37 37 GLU H H 1 8.319 0.006 . 1 . . . . . 36 GLU H . 50908 1 164 . 1 . 1 37 37 GLU C C 13 176.661 0.014 . 1 . . . . . 36 GLU C . 50908 1 165 . 1 . 1 37 37 GLU CA C 13 57.012 0.009 . 1 . . . . . 36 GLU CA . 50908 1 166 . 1 . 1 37 37 GLU CB C 13 30.242 0.021 . 1 . . . . . 36 GLU CB . 50908 1 167 . 1 . 1 37 37 GLU N N 15 121.309 0.031 . 1 . . . . . 36 GLU N . 50908 1 168 . 1 . 1 38 38 LYS H H 1 8.265 0.003 . 1 . . . . . 37 LYS H . 50908 1 169 . 1 . 1 38 38 LYS C C 13 176.432 0.003 . 1 . . . . . 37 LYS C . 50908 1 170 . 1 . 1 38 38 LYS CA C 13 56.332 0.019 . 1 . . . . . 37 LYS CA . 50908 1 171 . 1 . 1 38 38 LYS CB C 13 32.941 0.028 . 1 . . . . . 37 LYS CB . 50908 1 172 . 1 . 1 38 38 LYS N N 15 121.769 0.012 . 1 . . . . . 37 LYS N . 50908 1 173 . 1 . 1 39 39 ALA H H 1 8.240 0.001 . 1 . . . . . 38 ALA H . 50908 1 174 . 1 . 1 39 39 ALA C C 13 177.720 0.006 . 1 . . . . . 38 ALA C . 50908 1 175 . 1 . 1 39 39 ALA CA C 13 52.522 0.014 . 1 . . . . . 38 ALA CA . 50908 1 176 . 1 . 1 39 39 ALA CB C 13 19.207 0.049 . 1 . . . . . 38 ALA CB . 50908 1 177 . 1 . 1 39 39 ALA N N 15 125.135 0.012 . 1 . . . . . 38 ALA N . 50908 1 178 . 1 . 1 40 40 VAL H H 1 8.159 0.002 . 1 . . . . . 39 VAL H . 50908 1 179 . 1 . 1 40 40 VAL C C 13 176.050 0.011 . 1 . . . . . 39 VAL C . 50908 1 180 . 1 . 1 40 40 VAL CA C 13 62.298 0.021 . 1 . . . . . 39 VAL CA . 50908 1 181 . 1 . 1 40 40 VAL CB C 13 32.870 0.053 . 1 . . . . . 39 VAL CB . 50908 1 182 . 1 . 1 40 40 VAL N N 15 119.615 0.018 . 1 . . . . . 39 VAL N . 50908 1 183 . 1 . 1 41 41 HIS H H 1 8.451 0.003 . 1 . . . . . 40 HIS H . 50908 1 184 . 1 . 1 41 41 HIS C C 13 174.812 0.005 . 1 . . . . . 40 HIS C . 50908 1 185 . 1 . 1 41 41 HIS CA C 13 55.851 0.044 . 1 . . . . . 40 HIS CA . 50908 1 186 . 1 . 1 41 41 HIS CB C 13 30.529 0.052 . 1 . . . . . 40 HIS CB . 50908 1 187 . 1 . 1 41 41 HIS N N 15 123.557 0.027 . 1 . . . . . 40 HIS N . 50908 1 188 . 1 . 1 42 42 ALA H H 1 8.360 0.002 . 1 . . . . . 41 ALA H . 50908 1 189 . 1 . 1 42 42 ALA C C 13 177.241 0.008 . 1 . . . . . 41 ALA C . 50908 1 190 . 1 . 1 42 42 ALA CA C 13 52.606 0.028 . 1 . . . . . 41 ALA CA . 50908 1 191 . 1 . 1 42 42 ALA CB C 13 19.489 0.058 . 1 . . . . . 41 ALA CB . 50908 1 192 . 1 . 1 42 42 ALA N N 15 126.002 0.015 . 1 . . . . . 41 ALA N . 50908 1 193 . 1 . 1 43 43 ASP H H 1 8.528 0.003 . 1 . . . . . 42 ASP H . 50908 1 194 . 1 . 1 43 43 ASP C C 13 175.892 0.001 . 1 . . . . . 42 ASP C . 50908 1 195 . 1 . 1 43 43 ASP CA C 13 54.401 0.014 . 1 . . . . . 42 ASP CA . 50908 1 196 . 1 . 1 43 43 ASP CB C 13 41.162 0.017 . 1 . . . . . 42 ASP CB . 50908 1 197 . 1 . 1 43 43 ASP N N 15 119.674 0.014 . 1 . . . . . 42 ASP N . 50908 1 198 . 1 . 1 44 44 PHE H H 1 8.089 0.003 . 1 . . . . . 43 PHE H . 50908 1 199 . 1 . 1 44 44 PHE C C 13 175.254 0.006 . 1 . . . . . 43 PHE C . 50908 1 200 . 1 . 1 44 44 PHE CA C 13 57.782 0.044 . 1 . . . . . 43 PHE CA . 50908 1 201 . 1 . 1 44 44 PHE CB C 13 39.656 0.078 . 1 . . . . . 43 PHE CB . 50908 1 202 . 1 . 1 44 44 PHE N N 15 120.050 0.056 . 1 . . . . . 43 PHE N . 50908 1 203 . 1 . 1 45 45 PHE H H 1 8.183 0.004 . 1 . . . . . 44 PHE H . 50908 1 204 . 1 . 1 45 45 PHE C C 13 175.026 0.003 . 1 . . . . . 44 PHE C . 50908 1 205 . 1 . 1 45 45 PHE CA C 13 57.617 0.047 . 1 . . . . . 44 PHE CA . 50908 1 206 . 1 . 1 45 45 PHE CB C 13 39.718 0.022 . 1 . . . . . 44 PHE CB . 50908 1 207 . 1 . 1 45 45 PHE N N 15 121.611 0.015 . 1 . . . . . 44 PHE N . 50908 1 208 . 1 . 1 46 46 ASN H H 1 8.279 0.004 . 1 . . . . . 45 ASN H . 50908 1 209 . 1 . 1 46 46 ASN C C 13 174.447 0.007 . 1 . . . . . 45 ASN C . 50908 1 210 . 1 . 1 46 46 ASN CA C 13 52.982 0.010 . 1 . . . . . 45 ASN CA . 50908 1 211 . 1 . 1 46 46 ASN CB C 13 39.211 0.071 . 1 . . . . . 45 ASN CB . 50908 1 212 . 1 . 1 46 46 ASN N N 15 120.981 0.014 . 1 . . . . . 45 ASN N . 50908 1 213 . 1 . 1 47 47 ASP H H 1 8.165 0.003 . 1 . . . . . 46 ASP H . 50908 1 214 . 1 . 1 47 47 ASP C C 13 175.821 0.019 . 1 . . . . . 46 ASP C . 50908 1 215 . 1 . 1 47 47 ASP CA C 13 54.325 0.027 . 1 . . . . . 46 ASP CA . 50908 1 216 . 1 . 1 47 47 ASP CB C 13 40.966 0.035 . 1 . . . . . 46 ASP CB . 50908 1 217 . 1 . 1 47 47 ASP N N 15 121.185 0.021 . 1 . . . . . 46 ASP N . 50908 1 218 . 1 . 1 48 48 PHE H H 1 8.098 0.004 . 1 . . . . . 47 PHE H . 50908 1 219 . 1 . 1 48 48 PHE C C 13 175.613 0.001 . 1 . . . . . 47 PHE C . 50908 1 220 . 1 . 1 48 48 PHE CA C 13 57.629 0.050 . 1 . . . . . 47 PHE CA . 50908 1 221 . 1 . 1 48 48 PHE CB C 13 39.523 0.011 . 1 . . . . . 47 PHE CB . 50908 1 222 . 1 . 1 48 48 PHE N N 15 119.673 0.064 . 1 . . . . . 47 PHE N . 50908 1 223 . 1 . 1 49 49 GLU H H 1 8.242 0.007 . 1 . . . . . 48 GLU H . 50908 1 224 . 1 . 1 49 49 GLU C C 13 175.671 0.030 . 1 . . . . . 48 GLU C . 50908 1 225 . 1 . 1 49 49 GLU CA C 13 56.322 0.035 . 1 . . . . . 48 GLU CA . 50908 1 226 . 1 . 1 49 49 GLU CB C 13 30.759 0.044 . 1 . . . . . 48 GLU CB . 50908 1 227 . 1 . 1 49 49 GLU N N 15 122.441 0.009 . 1 . . . . . 48 GLU N . 50908 1 228 . 1 . 1 50 50 ASP H H 1 8.343 0.003 . 1 . . . . . 49 ASP H . 50908 1 229 . 1 . 1 50 50 ASP C C 13 175.680 0.006 . 1 . . . . . 49 ASP C . 50908 1 230 . 1 . 1 50 50 ASP CA C 13 54.166 0.018 . 1 . . . . . 49 ASP CA . 50908 1 231 . 1 . 1 50 50 ASP CB C 13 41.212 0.013 . 1 . . . . . 49 ASP CB . 50908 1 232 . 1 . 1 50 50 ASP N N 15 121.836 0.019 . 1 . . . . . 49 ASP N . 50908 1 233 . 1 . 1 51 51 LEU H H 1 8.136 0.002 . 1 . . . . . 50 LEU H . 50908 1 234 . 1 . 1 51 51 LEU C C 13 176.932 0.003 . 1 . . . . . 50 LEU C . 50908 1 235 . 1 . 1 51 51 LEU CA C 13 54.992 0.001 . 1 . . . . . 50 LEU CA . 50908 1 236 . 1 . 1 51 51 LEU CB C 13 42.426 0.021 . 1 . . . . . 50 LEU CB . 50908 1 237 . 1 . 1 51 51 LEU N N 15 122.588 0.033 . 1 . . . . . 50 LEU N . 50908 1 238 . 1 . 1 52 52 PHE H H 1 8.339 0.001 . 1 . . . . . 51 PHE H . 50908 1 239 . 1 . 1 52 52 PHE C C 13 175.311 0.006 . 1 . . . . . 51 PHE C . 50908 1 240 . 1 . 1 52 52 PHE CA C 13 57.341 0.010 . 1 . . . . . 51 PHE CA . 50908 1 241 . 1 . 1 52 52 PHE CB C 13 39.831 0.000 . 1 . . . . . 51 PHE CB . 50908 1 242 . 1 . 1 52 52 PHE N N 15 121.285 0.010 . 1 . . . . . 51 PHE N . 50908 1 243 . 1 . 1 53 53 ASP H H 1 8.422 0.002 . 1 . . . . . 52 ASP H . 50908 1 244 . 1 . 1 53 53 ASP C C 13 175.797 0.005 . 1 . . . . . 52 ASP C . 50908 1 245 . 1 . 1 53 53 ASP CA C 13 54.056 0.073 . 1 . . . . . 52 ASP CA . 50908 1 246 . 1 . 1 53 53 ASP CB C 13 41.546 0.018 . 1 . . . . . 52 ASP CB . 50908 1 247 . 1 . 1 53 53 ASP N N 15 122.892 0.012 . 1 . . . . . 52 ASP N . 50908 1 248 . 1 . 1 54 54 ASP H H 1 8.339 0.002 . 1 . . . . . 53 ASP H . 50908 1 249 . 1 . 1 54 54 ASP C C 13 176.262 0.002 . 1 . . . . . 53 ASP C . 50908 1 250 . 1 . 1 54 54 ASP CA C 13 54.339 0.014 . 1 . . . . . 53 ASP CA . 50908 1 251 . 1 . 1 54 54 ASP CB C 13 41.280 0.001 . 1 . . . . . 53 ASP CB . 50908 1 252 . 1 . 1 54 54 ASP N N 15 121.743 0.024 . 1 . . . . . 53 ASP N . 50908 1 253 . 1 . 1 55 55 ASP H H 1 8.416 0.004 . 1 . . . . . 54 ASP H . 50908 1 254 . 1 . 1 55 55 ASP C C 13 176.177 0.001 . 1 . . . . . 54 ASP C . 50908 1 255 . 1 . 1 55 55 ASP CA C 13 54.590 0.006 . 1 . . . . . 54 ASP CA . 50908 1 256 . 1 . 1 55 55 ASP CB C 13 41.156 0.000 . 1 . . . . . 54 ASP CB . 50908 1 257 . 1 . 1 55 55 ASP N N 15 120.743 0.023 . 1 . . . . . 54 ASP N . 50908 1 258 . 1 . 1 56 56 ASP H H 1 8.341 0.002 . 1 . . . . . 55 ASP H . 50908 1 259 . 1 . 1 56 56 ASP C C 13 176.081 0.001 . 1 . . . . . 55 ASP C . 50908 1 260 . 1 . 1 56 56 ASP CA C 13 54.318 0.021 . 1 . . . . . 55 ASP CA . 50908 1 261 . 1 . 1 56 56 ASP CB C 13 41.046 0.016 . 1 . . . . . 55 ASP CB . 50908 1 262 . 1 . 1 56 56 ASP N N 15 120.800 0.033 . 1 . . . . . 55 ASP N . 50908 1 263 . 1 . 1 57 57 ILE H H 1 8.053 0.002 . 1 . . . . . 56 ILE H . 50908 1 264 . 1 . 1 57 57 ILE C C 13 175.765 0.004 . 1 . . . . . 56 ILE C . 50908 1 265 . 1 . 1 57 57 ILE CA C 13 61.255 0.032 . 1 . . . . . 56 ILE CA . 50908 1 266 . 1 . 1 57 57 ILE CB C 13 38.599 0.024 . 1 . . . . . 56 ILE CB . 50908 1 267 . 1 . 1 57 57 ILE N N 15 121.468 0.015 . 1 . . . . . 56 ILE N . 50908 1 268 . 1 . 1 58 58 GLN H H 1 8.117 0.002 . 1 . . . . . 57 GLN H . 50908 1 269 . 1 . 1 58 58 GLN C C 13 180.780 0.000 . 1 . . . . . 57 GLN C . 50908 1 270 . 1 . 1 58 58 GLN CA C 13 57.321 0.000 . 1 . . . . . 57 GLN CA . 50908 1 271 . 1 . 1 58 58 GLN CB C 13 30.461 0.000 . 1 . . . . . 57 GLN CB . 50908 1 272 . 1 . 1 58 58 GLN N N 15 129.975 0.088 . 1 . . . . . 57 GLN N . 50908 1 stop_ save_