data_50263 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50263 _Entry.Title ; NMR backbone assignment of the transmembrane helix of TREM2, an Alzheimer linked disease protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-08 _Entry.Accession_date 2020-05-08 _Entry.Last_release_date 2020-05-08 _Entry.Original_release_date 2020-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'TREM2 trasnmembran helix in DPC micelles' _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 Andrea Steiner . . . . 50263 2 Franz Hagn . X. . 0000-0002-1315-459X 50263 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Technical University of Munich' . 50263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 50263 '15N chemical shifts' 32 50263 '1H chemical shifts' 32 50263 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 . . 2020-10-16 2020-05-08 update BMRB 'update entry citation' 50263 1 . . 2020-06-08 2020-05-08 original author 'original release' 50263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50264 'TREM2 transmembrane helix K186A variant' 50263 BMRB 50265 'TREM2 transmembrane helix in complex with the partner protein DAP12' 50263 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50263 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32830336 _Citation.DOI 10.15252/embj.2019104247 _Citation.Full_citation . _Citation.Title ; gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e104247 _Citation.Page_last e104247 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrea Steiner . . . . 50263 1 2 Kai Schlepckow . . . . 50263 1 3 Bettina Brunner . . . . 50263 1 4 Harald Steiner . . . . 50263 1 5 Christian Haass . . . . 50263 1 6 Franz Hagn . X. . . 50263 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 50263 1 TREM2 50263 1 dynamics 50263 1 'intramembrane protease' 50263 1 structure 50263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50263 _Assembly.ID 1 _Assembly.Name TREM2 _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 TREM2 1 $entity_1 . . yes native no no . . . 50263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50263 _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 ; GSGRSLLEGEIPFPPTSILL LLACIFLIKILAASALWAAA WHGQKPGTH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'transmembrane helix' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9NZC2 . TREM2 . . . . . . . . . . . . . . 50263 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 50263 1 2 -1 SER . 50263 1 3 0 GLY . 50263 1 4 1 ARG . 50263 1 5 2 SER . 50263 1 6 3 LEU . 50263 1 7 4 LEU . 50263 1 8 5 GLU . 50263 1 9 6 GLY . 50263 1 10 7 GLU . 50263 1 11 8 ILE . 50263 1 12 9 PRO . 50263 1 13 10 PHE . 50263 1 14 11 PRO . 50263 1 15 12 PRO . 50263 1 16 13 THR . 50263 1 17 14 SER . 50263 1 18 15 ILE . 50263 1 19 16 LEU . 50263 1 20 17 LEU . 50263 1 21 18 LEU . 50263 1 22 19 LEU . 50263 1 23 20 ALA . 50263 1 24 21 CYS . 50263 1 25 22 ILE . 50263 1 26 23 PHE . 50263 1 27 24 LEU . 50263 1 28 25 ILE . 50263 1 29 26 LYS . 50263 1 30 27 ILE . 50263 1 31 28 LEU . 50263 1 32 29 ALA . 50263 1 33 30 ALA . 50263 1 34 31 SER . 50263 1 35 32 ALA . 50263 1 36 33 LEU . 50263 1 37 34 TRP . 50263 1 38 35 ALA . 50263 1 39 36 ALA . 50263 1 40 37 ALA . 50263 1 41 38 TRP . 50263 1 42 39 HIS . 50263 1 43 40 GLY . 50263 1 44 41 GLN . 50263 1 45 42 LYS . 50263 1 46 43 PRO . 50263 1 47 44 GLY . 50263 1 48 45 THR . 50263 1 49 46 HIS . 50263 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 50263 1 . SER 2 2 50263 1 . GLY 3 3 50263 1 . ARG 4 4 50263 1 . SER 5 5 50263 1 . LEU 6 6 50263 1 . LEU 7 7 50263 1 . GLU 8 8 50263 1 . GLY 9 9 50263 1 . GLU 10 10 50263 1 . ILE 11 11 50263 1 . PRO 12 12 50263 1 . PHE 13 13 50263 1 . PRO 14 14 50263 1 . PRO 15 15 50263 1 . THR 16 16 50263 1 . SER 17 17 50263 1 . ILE 18 18 50263 1 . LEU 19 19 50263 1 . LEU 20 20 50263 1 . LEU 21 21 50263 1 . LEU 22 22 50263 1 . ALA 23 23 50263 1 . CYS 24 24 50263 1 . ILE 25 25 50263 1 . PHE 26 26 50263 1 . LEU 27 27 50263 1 . ILE 28 28 50263 1 . LYS 29 29 50263 1 . ILE 30 30 50263 1 . LEU 31 31 50263 1 . ALA 32 32 50263 1 . ALA 33 33 50263 1 . SER 34 34 50263 1 . ALA 35 35 50263 1 . LEU 36 36 50263 1 . TRP 37 37 50263 1 . ALA 38 38 50263 1 . ALA 39 39 50263 1 . ALA 40 40 50263 1 . TRP 41 41 50263 1 . HIS 42 42 50263 1 . GLY 43 43 50263 1 . GLN 44 44 50263 1 . LYS 45 45 50263 1 . PRO 46 46 50263 1 . GLY 47 47 50263 1 . THR 48 48 50263 1 . HIS 49 49 50263 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 50263 _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 . . . . . . . . . . . . . 50263 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 50263 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET15b . . . 50263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50263 _Sample.ID 1 _Sample.Name 'TREM2-TMH DCN' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM TREM2-TMH in 200mM DPC 20 mM NaPi pH7.0 50 mM NaCl 0.5 mM EDTA 5 mM DTT ; _Sample.Aggregate_sample_number 1 _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 TREM2 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM 50 . . . 50263 1 2 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 50263 1 3 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 50263 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50263 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 50263 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 50263 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 50263 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'bb assignment' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50263 1 pH 7.0 . pH 50263 1 pressure 1 . atm 50263 1 temperature 310 . K 50263 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50263 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50263 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50263 2 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 50263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AvanceIII 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50263 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 50263 _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 external indirect . . . . . . 50263 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50263 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50263 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 50263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TREM2-TMH wild-type' _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' . . . 50263 1 2 '3D HNCO' . . . 50263 1 3 '3D HNCA' . . . 50263 1 4 '3D HNCACB' . . . 50263 1 5 '3D HN(CO)CA' . . . 50263 1 6 '3D 1H-15N NOESY' . . . 50263 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 . . 50263 1 2 $software_2 . . 50263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 SER C C 13 175.66 0.05 . 1 . . . . . 2 SER C . 50263 1 2 . 1 . 1 5 5 SER CA C 13 58.43 0.05 . 1 . . . . . 2 SER CA . 50263 1 3 . 1 . 1 5 5 SER CB C 13 64.43 0.05 . 1 . . . . . 2 SER CB . 50263 1 4 . 1 . 1 6 6 LEU H H 1 8.64 0.02 . 1 . . . . . 3 LEU H . 50263 1 5 . 1 . 1 6 6 LEU C C 13 177.64 0.05 . 1 . . . . . 3 LEU C . 50263 1 6 . 1 . 1 6 6 LEU CA C 13 56.95 0.05 . 1 . . . . . 3 LEU CA . 50263 1 7 . 1 . 1 6 6 LEU CB C 13 42.79 0.05 . 1 . . . . . 3 LEU CB . 50263 1 8 . 1 . 1 6 6 LEU N N 15 125.83 0.05 . 1 . . . . . 3 LEU N . 50263 1 9 . 1 . 1 7 7 LEU H H 1 8.64 0.02 . 1 . . . . . 4 LEU H . 50263 1 10 . 1 . 1 7 7 LEU C C 13 177.64 0.05 . 1 . . . . . 4 LEU C . 50263 1 11 . 1 . 1 7 7 LEU CA C 13 56.95 0.05 . 1 . . . . . 4 LEU CA . 50263 1 12 . 1 . 1 7 7 LEU CB C 13 42.79 0.05 . 1 . . . . . 4 LEU CB . 50263 1 13 . 1 . 1 7 7 LEU N N 15 125.83 0.05 . 1 . . . . . 4 LEU N . 50263 1 14 . 1 . 1 8 8 GLU H H 1 7.75 0.02 . 1 . . . . . 5 GLU H . 50263 1 15 . 1 . 1 8 8 GLU C C 13 176.84 0.05 . 1 . . . . . 5 GLU C . 50263 1 16 . 1 . 1 8 8 GLU CA C 13 56.33 0.05 . 1 . . . . . 5 GLU CA . 50263 1 17 . 1 . 1 8 8 GLU CB C 13 30.79 0.05 . 1 . . . . . 5 GLU CB . 50263 1 18 . 1 . 1 8 8 GLU N N 15 119.18 0.05 . 1 . . . . . 5 GLU N . 50263 1 19 . 1 . 1 9 9 GLY H H 1 7.96 0.02 . 1 . . . . . 6 GLY H . 50263 1 20 . 1 . 1 9 9 GLY C C 13 173.44 0.05 . 1 . . . . . 6 GLY C . 50263 1 21 . 1 . 1 9 9 GLY CA C 13 44.94 0.05 . 1 . . . . . 6 GLY CA . 50263 1 22 . 1 . 1 9 9 GLY N N 15 109.58 0.05 . 1 . . . . . 6 GLY N . 50263 1 23 . 1 . 1 10 10 GLU H H 1 8.11 0.02 . 1 . . . . . 7 GLU H . 50263 1 24 . 1 . 1 10 10 GLU C C 13 176.14 0.05 . 1 . . . . . 7 GLU C . 50263 1 25 . 1 . 1 10 10 GLU CA C 13 55.95 0.05 . 1 . . . . . 7 GLU CA . 50263 1 26 . 1 . 1 10 10 GLU CB C 13 30.51 0.05 . 1 . . . . . 7 GLU CB . 50263 1 27 . 1 . 1 10 10 GLU N N 15 121.08 0.05 . 1 . . . . . 7 GLU N . 50263 1 28 . 1 . 1 11 11 ILE H H 1 8.16 0.02 . 1 . . . . . 8 ILE H . 50263 1 29 . 1 . 1 11 11 ILE C C 13 174.84 0.05 . 1 . . . . . 8 ILE C . 50263 1 30 . 1 . 1 11 11 ILE CA C 13 57.96 0.05 . 1 . . . . . 8 ILE CA . 50263 1 31 . 1 . 1 11 11 ILE CB C 13 39.15 0.05 . 1 . . . . . 8 ILE CB . 50263 1 32 . 1 . 1 11 11 ILE N N 15 123.78 0.05 . 1 . . . . . 8 ILE N . 50263 1 33 . 1 . 1 12 12 PRO CA C 13 62.66 0.05 . 1 . . . . . 9 PRO CA . 50263 1 34 . 1 . 1 12 12 PRO CB C 13 31.58 0.05 . 1 . . . . . 9 PRO CB . 50263 1 35 . 1 . 1 13 13 PHE H H 1 7.68 0.02 . 1 . . . . . 10 PHE H . 50263 1 36 . 1 . 1 13 13 PHE C C 13 173.84 0.05 . 1 . . . . . 10 PHE C . 50263 1 37 . 1 . 1 13 13 PHE CA C 13 62.62 0.05 . 1 . . . . . 10 PHE CA . 50263 1 38 . 1 . 1 13 13 PHE N N 15 119.88 0.05 . 1 . . . . . 10 PHE N . 50263 1 39 . 1 . 1 16 16 THR C C 13 176.04 0.05 . 1 . . . . . 13 THR C . 50263 1 40 . 1 . 1 16 16 THR CA C 13 66.26 0.05 . 1 . . . . . 13 THR CA . 50263 1 41 . 1 . 1 16 16 THR CB C 13 68.91 0.05 . 1 . . . . . 13 THR CB . 50263 1 42 . 1 . 1 17 17 SER H H 1 8.25 0.02 . 1 . . . . . 14 SER H . 50263 1 43 . 1 . 1 17 17 SER C C 13 175.44 0.05 . 1 . . . . . 14 SER C . 50263 1 44 . 1 . 1 17 17 SER CA C 13 61.84 0.05 . 1 . . . . . 14 SER CA . 50263 1 45 . 1 . 1 17 17 SER N N 15 116.78 0.05 . 1 . . . . . 14 SER N . 50263 1 46 . 1 . 1 18 18 ILE H H 1 7.25 0.02 . 1 . . . . . 15 ILE H . 50263 1 47 . 1 . 1 18 18 ILE C C 13 177.34 0.05 . 1 . . . . . 15 ILE C . 50263 1 48 . 1 . 1 18 18 ILE CA C 13 63.19 0.05 . 1 . . . . . 15 ILE CA . 50263 1 49 . 1 . 1 18 18 ILE CB C 13 37.24 0.05 . 1 . . . . . 15 ILE CB . 50263 1 50 . 1 . 1 18 18 ILE N N 15 121.28 0.05 . 1 . . . . . 15 ILE N . 50263 1 51 . 1 . 1 19 19 LEU H H 1 7.77 0.02 . 1 . . . . . 16 LEU H . 50263 1 52 . 1 . 1 19 19 LEU C C 13 178.34 0.05 . 1 . . . . . 16 LEU C . 50263 1 53 . 1 . 1 19 19 LEU CA C 13 58.05 0.05 . 1 . . . . . 16 LEU CA . 50263 1 54 . 1 . 1 19 19 LEU CB C 13 41.72 0.05 . 1 . . . . . 16 LEU CB . 50263 1 55 . 1 . 1 19 19 LEU N N 15 120.48 0.05 . 1 . . . . . 16 LEU N . 50263 1 56 . 1 . 1 20 20 LEU H H 1 8.03 0.02 . 1 . . . . . 17 LEU H . 50263 1 57 . 1 . 1 20 20 LEU C C 13 178.44 0.05 . 1 . . . . . 17 LEU C . 50263 1 58 . 1 . 1 20 20 LEU CA C 13 57.86 0.05 . 1 . . . . . 17 LEU CA . 50263 1 59 . 1 . 1 20 20 LEU CB C 13 41.81 0.05 . 1 . . . . . 17 LEU CB . 50263 1 60 . 1 . 1 20 20 LEU N N 15 118.38 0.05 . 1 . . . . . 17 LEU N . 50263 1 61 . 1 . 1 21 21 LEU H H 1 7.75 0.02 . 1 . . . . . 18 LEU H . 50263 1 62 . 1 . 1 21 21 LEU C C 13 178.54 0.05 . 1 . . . . . 18 LEU C . 50263 1 63 . 1 . 1 21 21 LEU CA C 13 58.14 0.05 . 1 . . . . . 18 LEU CA . 50263 1 64 . 1 . 1 21 21 LEU CB C 13 41.75 0.05 . 1 . . . . . 18 LEU CB . 50263 1 65 . 1 . 1 21 21 LEU N N 15 120.75 0.05 . 1 . . . . . 18 LEU N . 50263 1 66 . 1 . 1 22 22 LEU H H 1 8.25 0.02 . 1 . . . . . 19 LEU H . 50263 1 67 . 1 . 1 22 22 LEU C C 13 178.34 0.05 . 1 . . . . . 19 LEU C . 50263 1 68 . 1 . 1 22 22 LEU CA C 13 57.89 0.05 . 1 . . . . . 19 LEU CA . 50263 1 69 . 1 . 1 22 22 LEU CB C 13 41.72 0.05 . 1 . . . . . 19 LEU CB . 50263 1 70 . 1 . 1 22 22 LEU N N 15 118.63 0.05 . 1 . . . . . 19 LEU N . 50263 1 71 . 1 . 1 23 23 ALA H H 1 8.3 0.02 . 1 . . . . . 20 ALA H . 50263 1 72 . 1 . 1 23 23 ALA C C 13 179.04 0.05 . 1 . . . . . 20 ALA C . 50263 1 73 . 1 . 1 23 23 ALA CA C 13 55.39 0.05 . 1 . . . . . 20 ALA CA . 50263 1 74 . 1 . 1 23 23 ALA CB C 13 18.04 0.05 . 1 . . . . . 20 ALA CB . 50263 1 75 . 1 . 1 23 23 ALA N N 15 121.05 0.05 . 1 . . . . . 20 ALA N . 50263 1 76 . 1 . 1 24 24 CYS H H 1 8.11 0.02 . 1 . . . . . 21 CYS H . 50263 1 77 . 1 . 1 24 24 CYS C C 13 176.54 0.05 . 1 . . . . . 21 CYS C . 50263 1 78 . 1 . 1 24 24 CYS CA C 13 64.35 0.05 . 1 . . . . . 21 CYS CA . 50263 1 79 . 1 . 1 24 24 CYS CB C 13 27.37 0.05 . 1 . . . . . 21 CYS CB . 50263 1 80 . 1 . 1 24 24 CYS N N 15 116.05 0.05 . 1 . . . . . 21 CYS N . 50263 1 81 . 1 . 1 25 25 ILE H H 1 8.13 0.02 . 1 . . . . . 22 ILE H . 50263 1 82 . 1 . 1 25 25 ILE C C 13 177.34 0.05 . 1 . . . . . 22 ILE C . 50263 1 83 . 1 . 1 25 25 ILE CA C 13 65.35 0.05 . 1 . . . . . 22 ILE CA . 50263 1 84 . 1 . 1 25 25 ILE CB C 13 37.58 0.05 . 1 . . . . . 22 ILE CB . 50263 1 85 . 1 . 1 25 25 ILE N N 15 119.76 0.05 . 1 . . . . . 22 ILE N . 50263 1 86 . 1 . 1 26 26 PHE H H 1 8.34 0.02 . 1 . . . . . 23 PHE H . 50263 1 87 . 1 . 1 26 26 PHE C C 13 177.24 0.05 . 1 . . . . . 23 PHE C . 50263 1 88 . 1 . 1 26 26 PHE CA C 13 61.15 0.05 . 1 . . . . . 23 PHE CA . 50263 1 89 . 1 . 1 26 26 PHE N N 15 119.73 0.05 . 1 . . . . . 23 PHE N . 50263 1 90 . 1 . 1 27 27 LEU H H 1 8.4 0.02 . 1 . . . . . 24 LEU H . 50263 1 91 . 1 . 1 27 27 LEU C C 13 178.64 0.05 . 1 . . . . . 24 LEU C . 50263 1 92 . 1 . 1 27 27 LEU CA C 13 58.02 0.05 . 1 . . . . . 24 LEU CA . 50263 1 93 . 1 . 1 27 27 LEU CB C 13 41.92 0.05 . 1 . . . . . 24 LEU CB . 50263 1 94 . 1 . 1 27 27 LEU N N 15 119.37 0.05 . 1 . . . . . 24 LEU N . 50263 1 95 . 1 . 1 28 28 ILE H H 1 8.24 0.02 . 1 . . . . . 25 ILE H . 50263 1 96 . 1 . 1 28 28 ILE C C 13 177.44 0.05 . 1 . . . . . 25 ILE C . 50263 1 97 . 1 . 1 28 28 ILE CA C 13 65.19 0.05 . 1 . . . . . 25 ILE CA . 50263 1 98 . 1 . 1 28 28 ILE CB C 13 37.27 0.05 . 1 . . . . . 25 ILE CB . 50263 1 99 . 1 . 1 28 28 ILE N N 15 119.34 0.05 . 1 . . . . . 25 ILE N . 50263 1 100 . 1 . 1 29 29 LYS H H 1 8.11 0.02 . 1 . . . . . 26 LYS H . 50263 1 101 . 1 . 1 29 29 LYS C C 13 178.94 0.05 . 1 . . . . . 26 LYS C . 50263 1 102 . 1 . 1 29 29 LYS CA C 13 59.33 0.05 . 1 . . . . . 26 LYS CA . 50263 1 103 . 1 . 1 29 29 LYS N N 15 120.22 0.05 . 1 . . . . . 26 LYS N . 50263 1 104 . 1 . 1 30 30 ILE H H 1 8.13 0.02 . 1 . . . . . 27 ILE H . 50263 1 105 . 1 . 1 30 30 ILE C C 13 178.84 0.05 . 1 . . . . . 27 ILE C . 50263 1 106 . 1 . 1 30 30 ILE CA C 13 64.22 0.05 . 1 . . . . . 27 ILE CA . 50263 1 107 . 1 . 1 30 30 ILE CB C 13 37.66 0.05 . 1 . . . . . 27 ILE CB . 50263 1 108 . 1 . 1 30 30 ILE N N 15 119.04 0.05 . 1 . . . . . 27 ILE N . 50263 1 109 . 1 . 1 31 31 LEU H H 1 8.5 0.02 . 1 . . . . . 28 LEU H . 50263 1 110 . 1 . 1 31 31 LEU C C 13 179.14 0.05 . 1 . . . . . 28 LEU C . 50263 1 111 . 1 . 1 31 31 LEU CA C 13 57.64 0.05 . 1 . . . . . 28 LEU CA . 50263 1 112 . 1 . 1 31 31 LEU CB C 13 41.92 0.05 . 1 . . . . . 28 LEU CB . 50263 1 113 . 1 . 1 31 31 LEU N N 15 122.63 0.05 . 1 . . . . . 28 LEU N . 50263 1 114 . 1 . 1 32 32 ALA H H 1 8.62 0.02 . 1 . . . . . 29 ALA H . 50263 1 115 . 1 . 1 32 32 ALA C C 13 178.44 0.05 . 1 . . . . . 29 ALA C . 50263 1 116 . 1 . 1 32 32 ALA CA C 13 54.38 0.05 . 1 . . . . . 29 ALA CA . 50263 1 117 . 1 . 1 32 32 ALA CB C 13 18.46 0.05 . 1 . . . . . 29 ALA CB . 50263 1 118 . 1 . 1 32 32 ALA N N 15 121.85 0.05 . 1 . . . . . 29 ALA N . 50263 1 119 . 1 . 1 33 33 ALA C C 13 178.94 0.05 . 1 . . . . . 30 ALA C . 50263 1 120 . 1 . 1 33 33 ALA CA C 13 53.38 0.05 . 1 . . . . . 30 ALA CA . 50263 1 121 . 1 . 1 33 33 ALA CB C 13 18.16 0.05 . 1 . . . . . 30 ALA CB . 50263 1 122 . 1 . 1 34 34 SER H H 1 8.04 0.02 . 1 . . . . . 31 SER H . 50263 1 123 . 1 . 1 34 34 SER CA C 13 60.71 0.05 . 1 . . . . . 31 SER CA . 50263 1 124 . 1 . 1 34 34 SER N N 15 115.3 0.05 . 1 . . . . . 31 SER N . 50263 1 125 . 1 . 1 35 35 ALA C C 13 179.44 0.05 . 1 . . . . . 32 ALA C . 50263 1 126 . 1 . 1 35 35 ALA CA C 13 54.26 0.05 . 1 . . . . . 32 ALA CA . 50263 1 127 . 1 . 1 35 35 ALA CB C 13 18.71 0.05 . 1 . . . . . 32 ALA CB . 50263 1 128 . 1 . 1 36 36 LEU H H 1 8.11 0.02 . 1 . . . . . 33 LEU H . 50263 1 129 . 1 . 1 36 36 LEU C C 13 178.74 0.05 . 1 . . . . . 33 LEU C . 50263 1 130 . 1 . 1 36 36 LEU CA C 13 57.36 0.05 . 1 . . . . . 33 LEU CA . 50263 1 131 . 1 . 1 36 36 LEU CB C 13 42.14 0.05 . 1 . . . . . 33 LEU CB . 50263 1 132 . 1 . 1 36 36 LEU N N 15 119.1 0.05 . 1 . . . . . 33 LEU N . 50263 1 133 . 1 . 1 37 37 TRP H H 1 7.78 0.02 . 1 . . . . . 34 TRP H . 50263 1 134 . 1 . 1 37 37 TRP C C 13 177.44 0.05 . 1 . . . . . 34 TRP C . 50263 1 135 . 1 . 1 37 37 TRP CA C 13 59.18 0.05 . 1 . . . . . 34 TRP CA . 50263 1 136 . 1 . 1 37 37 TRP CB C 13 29.87 0.05 . 1 . . . . . 34 TRP CB . 50263 1 137 . 1 . 1 37 37 TRP N N 15 120.11 0.05 . 1 . . . . . 34 TRP N . 50263 1 138 . 1 . 1 38 38 ALA H H 1 7.98 0.02 . 1 . . . . . 35 ALA H . 50263 1 139 . 1 . 1 38 38 ALA C C 13 179.14 0.05 . 1 . . . . . 35 ALA C . 50263 1 140 . 1 . 1 38 38 ALA CA C 13 54.26 0.05 . 1 . . . . . 35 ALA CA . 50263 1 141 . 1 . 1 38 38 ALA CB C 13 18.71 0.05 . 1 . . . . . 35 ALA CB . 50263 1 142 . 1 . 1 38 38 ALA N N 15 121.59 0.05 . 1 . . . . . 35 ALA N . 50263 1 143 . 1 . 1 39 39 ALA H H 1 7.93 0.02 . 1 . . . . . 36 ALA H . 50263 1 144 . 1 . 1 39 39 ALA C C 13 178.94 0.05 . 1 . . . . . 36 ALA C . 50263 1 145 . 1 . 1 39 39 ALA CA C 13 54.22 0.05 . 1 . . . . . 36 ALA CA . 50263 1 146 . 1 . 1 39 39 ALA CB C 13 18.88 0.05 . 1 . . . . . 36 ALA CB . 50263 1 147 . 1 . 1 39 39 ALA N N 15 120.32 0.05 . 1 . . . . . 36 ALA N . 50263 1 148 . 1 . 1 40 40 ALA H H 1 7.84 0.02 . 1 . . . . . 37 ALA H . 50263 1 149 . 1 . 1 40 40 ALA C C 13 178.24 0.05 . 1 . . . . . 37 ALA C . 50263 1 150 . 1 . 1 40 40 ALA CA C 13 53.44 0.05 . 1 . . . . . 37 ALA CA . 50263 1 151 . 1 . 1 40 40 ALA CB C 13 18.94 0.05 . 1 . . . . . 37 ALA CB . 50263 1 152 . 1 . 1 40 40 ALA N N 15 120.89 0.05 . 1 . . . . . 37 ALA N . 50263 1 153 . 1 . 1 41 41 TRP H H 1 7.82 0.02 . 1 . . . . . 38 TRP H . 50263 1 154 . 1 . 1 41 41 TRP C C 13 176.74 0.05 . 1 . . . . . 38 TRP C . 50263 1 155 . 1 . 1 41 41 TRP CA C 13 53.41 0.05 . 1 . . . . . 38 TRP CA . 50263 1 156 . 1 . 1 41 41 TRP N N 15 118.39 0.05 . 1 . . . . . 38 TRP N . 50263 1 157 . 1 . 1 42 42 HIS H H 1 7.9 0.02 . 1 . . . . . 39 HIS H . 50263 1 158 . 1 . 1 42 42 HIS C C 13 176.74 0.05 . 1 . . . . . 39 HIS C . 50263 1 159 . 1 . 1 42 42 HIS CA C 13 56.98 0.05 . 1 . . . . . 39 HIS CA . 50263 1 160 . 1 . 1 42 42 HIS N N 15 119.0 0.05 . 1 . . . . . 39 HIS N . 50263 1 161 . 1 . 1 48 48 THR C C 13 173.74 0.05 . 1 . . . . . 45 THR C . 50263 1 162 . 1 . 1 48 48 THR CA C 13 61.68 0.05 . 1 . . . . . 45 THR CA . 50263 1 163 . 1 . 1 48 48 THR CB C 13 70.57 0.05 . 1 . . . . . 45 THR CB . 50263 1 164 . 1 . 1 49 49 HIS H H 1 7.87 0.02 . 1 . . . . . 46 HIS H . 50263 1 165 . 1 . 1 49 49 HIS C C 13 179.84 0.05 . 1 . . . . . 46 HIS C . 50263 1 166 . 1 . 1 49 49 HIS CA C 13 57.55 0.05 . 1 . . . . . 46 HIS CA . 50263 1 167 . 1 . 1 49 49 HIS N N 15 127.65 0.05 . 1 . . . . . 46 HIS N . 50263 1 stop_ save_