data_52391 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52391 _Entry.Title ; StREM13 171-198 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-09 _Entry.Accession_date 2024-04-09 _Entry.Last_release_date 2024-04-09 _Entry.Original_release_date 2024-04-09 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This deposition contains the HSQC, TOCSY, and NOESY spectra of the StREM13_171-198 peptide. StREM13_171-198.str contains these spectra's peak lists, shift lists, and assigned chemical shifts. ; _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 Zeren XU . . . . 52391 2 Birgit Habenstein . . . . 52391 3 Anthony Legrand . . . . 52391 4 Melanie Berbon . . . . 52391 5 Axelle Grelard . . . . 52391 6 Estelle Morvan . . . . 52391 7 Antoine Loquet . . . . 52391 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University Bordeaux, CNRS, Bordeaux INP, CBMN, UMR 5248, IECB' . 52391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 27 52391 '1H chemical shifts' 195 52391 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-09-05 . original BMRB . 52391 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52390 'StREM13 160-198' 52391 BMRB 52393 'StREM13 150-198' 52391 BMRB 52402 'AtREM11 156-175' 52391 BMRB 52403 'AtREM12 193-212' 52391 BMRB 52404 'AtREM13 171-190' 52391 BMRB 52405 'MtREM22 189-208' 52391 BMRB 52406 'AtREM41 277-296' 52391 BMRB 52407 'AtREM51 536-555' 52391 BMRB 52408 'AtREM62 490-509' 52391 BMRB 52409 'AtREM63 423-442' 52391 BMRB 52410 'AtREM64 408-427' 52391 BMRB 52411 'AtREM65 328-347' 52391 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52391 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Zeren XU . . . . 52391 1 2 Birgit Habenstein . . . . 52391 1 3 Anthony Legrand . . . . 52391 1 4 Melanie Berbon . . . . 52391 1 5 Axelle Grelard . . . . 52391 1 6 Estelle Morvan . . . . 52391 1 7 Antoine Loquet . . . . 52391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52391 _Assembly.ID 1 _Assembly.Name REM-CA _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 'C-terminal membrane anchor (REM-CA) of each remorin.' _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 REM-CA 1 $entity_1 . . yes native no no . . . 52391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52391 _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 ; GEDLLKAEELAAKYRATGTA PKKILGIF ; _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 28 _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 3004.5212 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Remorin proteins are plant-specific proteins involved in various cellular processes, including membrane dynamics, signal transduction, plant-microbe interactions, abiotic stress responses, and potentially developmental processes. ; 52391 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 . GLY . 52391 1 2 . GLU . 52391 1 3 . ASP . 52391 1 4 . LEU . 52391 1 5 . LEU . 52391 1 6 . LYS . 52391 1 7 . ALA . 52391 1 8 . GLU . 52391 1 9 . GLU . 52391 1 10 . LEU . 52391 1 11 . ALA . 52391 1 12 . ALA . 52391 1 13 . LYS . 52391 1 14 . TYR . 52391 1 15 . ARG . 52391 1 16 . ALA . 52391 1 17 . THR . 52391 1 18 . GLY . 52391 1 19 . THR . 52391 1 20 . ALA . 52391 1 21 . PRO . 52391 1 22 . LYS . 52391 1 23 . LYS . 52391 1 24 . ILE . 52391 1 25 . LEU . 52391 1 26 . GLY . 52391 1 27 . ILE . 52391 1 28 . PHE . 52391 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 52391 1 . GLU 2 2 52391 1 . ASP 3 3 52391 1 . LEU 4 4 52391 1 . LEU 5 5 52391 1 . LYS 6 6 52391 1 . ALA 7 7 52391 1 . GLU 8 8 52391 1 . GLU 9 9 52391 1 . LEU 10 10 52391 1 . ALA 11 11 52391 1 . ALA 12 12 52391 1 . LYS 13 13 52391 1 . TYR 14 14 52391 1 . ARG 15 15 52391 1 . ALA 16 16 52391 1 . THR 17 17 52391 1 . GLY 18 18 52391 1 . THR 19 19 52391 1 . ALA 20 20 52391 1 . PRO 21 21 52391 1 . LYS 22 22 52391 1 . LYS 23 23 52391 1 . ILE 24 24 52391 1 . LEU 25 25 52391 1 . GLY 26 26 52391 1 . ILE 27 27 52391 1 . PHE 28 28 52391 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 52391 _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 . 4113 organism . 'Solanum tuberosum' potato . . Eukaryota Viridiplantae Solanum tuberosum . . . . . . . . . . . . . 52391 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 52391 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52391 _Sample.ID 1 _Sample.Name StREM1.3/171-198 _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 StREM1.3/171-198 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 52391 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 52391 _Sample_condition_list.ID 1 _Sample_condition_list.Name StREM1.3/171-198 _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 . M 52391 1 pH 4 . pH 52391 1 pressure 1 . atm 52391 1 temperature 298 . K 52391 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52391 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version V2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52391 1 'data analysis' . 52391 1 'peak picking' . 52391 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52391 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52391 2 processing . 52391 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 52391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name nairac _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Bruker Biospin' _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '18,79T (800MHz)' 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 52391 _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' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52391 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52391 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52391 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' StREM13_171-198_HSQC.zip . 'NMR experiment directory' . . 52391 1 2 '2D 1H-1H TOCSY' StREM13_171-198_TOCSY.zip . 'NMR experiment directory' . . 52391 1 3 '2D 1H-1H NOESY' StREM13_171-198_NOESY.zip . 'NMR experiment directory' . . 52391 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 52391 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift references 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . 52391 1 N 15 water protons . . . . ppm -254.9 na indirect 0.101329118 . . . . . 52391 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 52391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name StREM13_171-198 _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' . . . 52391 1 2 '2D 1H-1H TOCSY' . . . 52391 1 3 '2D 1H-1H NOESY' . . . 52391 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 . . 52391 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 1 1 GLY H H 1 8.246 0.004 . 1 . . 415 . . 1 GLY H . 52391 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.882 0.009 . 2 . . 414 . . 1 GLY HA2 . 52391 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.852 0.003 . 2 . . 416 . . 1 GLY HA3 . 52391 1 4 . 1 . 1 1 1 GLY N N 15 114.091 . . 1 . . 417 . . 1 GLY N . 52391 1 5 . 1 . 1 2 2 GLU H H 1 8.448 0.001 . 1 . . 377 . . 2 GLU H . 52391 1 6 . 1 . 1 2 2 GLU HA H 1 4.174 0.004 . 1 . . 378 . . 2 GLU HA . 52391 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.002 0.007 . 2 . . 380 . . 2 GLU HB2 . 52391 1 8 . 1 . 1 2 2 GLU HB3 H 1 1.968 0.005 . 2 . . 381 . . 2 GLU HB3 . 52391 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.385 0.002 . 1 . . 379 . . 2 GLU HG2 . 52391 1 10 . 1 . 1 2 2 GLU N N 15 120.473 . . 1 . . 382 . . 2 GLU N . 52391 1 11 . 1 . 1 3 3 ASP H H 1 8.477 0.002 . 1 . . 373 . . 3 ASP H . 52391 1 12 . 1 . 1 3 3 ASP HA H 1 4.479 0.001 . 1 . . 372 . . 3 ASP HA . 52391 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.715 0.006 . 2 . . 374 . . 3 ASP HB2 . 52391 1 14 . 1 . 1 3 3 ASP HB3 H 1 2.779 0.002 . 2 . . 375 . . 3 ASP HB3 . 52391 1 15 . 1 . 1 3 3 ASP N N 15 119.518 . . 1 . . 376 . . 3 ASP N . 52391 1 16 . 1 . 1 4 4 LEU H H 1 7.912 0.005 . 1 . . 396 . . 4 LEU H . 52391 1 17 . 1 . 1 4 4 LEU HA H 1 4.144 0.005 . 1 . . 422 . . 4 LEU HA . 52391 1 18 . 1 . 1 4 4 LEU HB2 H 1 1.566 0.001 . 1 . . 504 . . 4 LEU HB2 . 52391 1 19 . 1 . 1 4 4 LEU HD11 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD11 . 52391 1 20 . 1 . 1 4 4 LEU HD12 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD12 . 52391 1 21 . 1 . 1 4 4 LEU HD13 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD13 . 52391 1 22 . 1 . 1 4 4 LEU HD21 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD21 . 52391 1 23 . 1 . 1 4 4 LEU HD22 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD22 . 52391 1 24 . 1 . 1 4 4 LEU HD23 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD23 . 52391 1 25 . 1 . 1 4 4 LEU N N 15 123.079 . . 1 . . 615 . . 4 LEU N . 52391 1 26 . 1 . 1 5 5 LEU H H 1 7.804 0.003 . 1 . . 437 . . 5 LEU H . 52391 1 27 . 1 . 1 5 5 LEU HA H 1 4.108 0.0 . 1 . . 440 . . 5 LEU HA . 52391 1 28 . 1 . 1 5 5 LEU HB2 H 1 1.638 0.007 . 2 . . 617 . . 5 LEU HB2 . 52391 1 29 . 1 . 1 5 5 LEU HB3 H 1 1.616 0.0 . 2 . . 1079 . . 5 LEU HB3 . 52391 1 30 . 1 . 1 5 5 LEU HG H 1 1.534 0.005 . 1 . . 1080 . . 5 LEU HG . 52391 1 31 . 1 . 1 5 5 LEU HD11 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD11 . 52391 1 32 . 1 . 1 5 5 LEU HD12 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD12 . 52391 1 33 . 1 . 1 5 5 LEU HD13 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD13 . 52391 1 34 . 1 . 1 5 5 LEU HD21 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD21 . 52391 1 35 . 1 . 1 5 5 LEU HD22 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD22 . 52391 1 36 . 1 . 1 5 5 LEU HD23 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD23 . 52391 1 37 . 1 . 1 5 5 LEU N N 15 120.261 . . 1 . . 614 . . 5 LEU N . 52391 1 38 . 1 . 1 6 6 LYS H H 1 7.910 0.004 . 1 . . 495 . . 6 LYS H . 52391 1 39 . 1 . 1 6 6 LYS HA H 1 4.014 0.008 . 1 . . 498 . . 6 LYS HA . 52391 1 40 . 1 . 1 6 6 LYS HB2 H 1 1.770 0.003 . 1 . . 500 . . 6 LYS HB2 . 52391 1 41 . 1 . 1 6 6 LYS HG2 H 1 1.456 0.002 . 2 . . 501 . . 6 LYS HG2 . 52391 1 42 . 1 . 1 6 6 LYS HG3 H 1 1.360 0.006 . 2 . . 502 . . 6 LYS HG3 . 52391 1 43 . 1 . 1 6 6 LYS HD2 H 1 1.622 0.002 . 1 . . 503 . . 6 LYS HD2 . 52391 1 44 . 1 . 1 6 6 LYS HE2 H 1 2.910 0.004 . 1 . . 499 . . 6 LYS HE2 . 52391 1 45 . 1 . 1 6 6 LYS N N 15 119.601 . . 1 . . 397 . . 6 LYS N . 52391 1 46 . 1 . 1 7 7 ALA H H 1 7.906 0.004 . 1 . . 457 . . 7 ALA H . 52391 1 47 . 1 . 1 7 7 ALA HA H 1 4.090 0.0 . 1 . . 459 . . 7 ALA HA . 52391 1 48 . 1 . 1 7 7 ALA HB1 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB1 . 52391 1 49 . 1 . 1 7 7 ALA HB2 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB2 . 52391 1 50 . 1 . 1 7 7 ALA HB3 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB3 . 52391 1 51 . 1 . 1 7 7 ALA N N 15 122.243 . . 1 . . 616 . . 7 ALA N . 52391 1 52 . 1 . 1 8 8 GLU H H 1 8.227 0.002 . 1 . . 388 . . 8 GLU H . 52391 1 53 . 1 . 1 8 8 GLU HA H 1 4.083 0.0 . 1 . . 451 . . 8 GLU HA . 52391 1 54 . 1 . 1 8 8 GLU HB2 H 1 2.137 0.003 . 2 . . 454 . . 8 GLU HB2 . 52391 1 55 . 1 . 1 8 8 GLU HB3 H 1 2.045 0.002 . 2 . . 455 . . 8 GLU HB3 . 52391 1 56 . 1 . 1 8 8 GLU HG2 H 1 2.548 0.009 . 2 . . 452 . . 8 GLU HG2 . 52391 1 57 . 1 . 1 8 8 GLU HG3 H 1 2.412 0.008 . 2 . . 453 . . 8 GLU HG3 . 52391 1 58 . 1 . 1 8 8 GLU N N 15 118.692 . . 1 . . 389 . . 8 GLU N . 52391 1 59 . 1 . 1 9 9 GLU H H 1 8.148 0.005 . 1 . . 466 . . 9 GLU H . 52391 1 60 . 1 . 1 9 9 GLU HA H 1 4.078 0.001 . 1 . . 470 . . 9 GLU HA . 52391 1 61 . 1 . 1 9 9 GLU HB2 H 1 2.102 0.006 . 2 . . 464 . . 9 GLU HB2 . 52391 1 62 . 1 . 1 9 9 GLU HB3 H 1 2.026 0.007 . 2 . . 465 . . 9 GLU HB3 . 52391 1 63 . 1 . 1 9 9 GLU HG2 H 1 2.519 0.01 . 2 . . 467 . . 9 GLU HG2 . 52391 1 64 . 1 . 1 9 9 GLU HG3 H 1 2.378 0.005 . 2 . . 468 . . 9 GLU HG3 . 52391 1 65 . 1 . 1 9 9 GLU N N 15 120.381 . . 1 . . 469 . . 9 GLU N . 52391 1 66 . 1 . 1 10 10 LEU H H 1 7.969 0.005 . 1 . . 460 . . 10 LEU H . 52391 1 67 . 1 . 1 10 10 LEU HA H 1 4.101 0.001 . 1 . . 625 . . 10 LEU HA . 52391 1 68 . 1 . 1 10 10 LEU HB2 H 1 1.671 0.001 . 2 . . 624 . . 10 LEU HB2 . 52391 1 69 . 1 . 1 10 10 LEU HB3 H 1 1.656 0.004 . 2 . . 1077 . . 10 LEU HB3 . 52391 1 70 . 1 . 1 10 10 LEU HG H 1 1.551 0.003 . 1 . . 1078 . . 10 LEU HG . 52391 1 71 . 1 . 1 10 10 LEU HD11 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD11 . 52391 1 72 . 1 . 1 10 10 LEU HD12 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD12 . 52391 1 73 . 1 . 1 10 10 LEU HD13 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD13 . 52391 1 74 . 1 . 1 10 10 LEU HD21 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD21 . 52391 1 75 . 1 . 1 10 10 LEU HD22 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD22 . 52391 1 76 . 1 . 1 10 10 LEU HD23 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD23 . 52391 1 77 . 1 . 1 10 10 LEU N N 15 121.334 . . 1 . . 461 . . 10 LEU N . 52391 1 78 . 1 . 1 11 11 ALA H H 1 7.837 0.001 . 1 . . 607 . . 11 ALA H . 52391 1 79 . 1 . 1 11 11 ALA HA H 1 4.119 0.002 . 1 . . 609 . . 11 ALA HA . 52391 1 80 . 1 . 1 11 11 ALA HB1 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB1 . 52391 1 81 . 1 . 1 11 11 ALA HB2 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB2 . 52391 1 82 . 1 . 1 11 11 ALA HB3 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB3 . 52391 1 83 . 1 . 1 11 11 ALA N N 15 121.676 . . 1 . . 619 . . 11 ALA N . 52391 1 84 . 1 . 1 12 12 ALA H H 1 7.791 0.002 . 1 . . 505 . . 12 ALA H . 52391 1 85 . 1 . 1 12 12 ALA HA H 1 4.086 0.001 . 1 . . 636 . . 12 ALA HA . 52391 1 86 . 1 . 1 12 12 ALA HB1 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB1 . 52391 1 87 . 1 . 1 12 12 ALA HB2 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB2 . 52391 1 88 . 1 . 1 12 12 ALA HB3 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB3 . 52391 1 89 . 1 . 1 12 12 ALA N N 15 120.791 . . 1 . . 618 . . 12 ALA N . 52391 1 90 . 1 . 1 13 13 LYS H H 1 7.770 0.005 . 1 . . 386 . . 13 LYS H . 52391 1 91 . 1 . 1 13 13 LYS HA H 1 4.049 0.0 . 1 . . 400 . . 13 LYS HA . 52391 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.657 0.005 . 1 . . 482 . . 13 LYS HB2 . 52391 1 93 . 1 . 1 13 13 LYS HG2 H 1 1.264 0.003 . 2 . . 478 . . 13 LYS HG2 . 52391 1 94 . 1 . 1 13 13 LYS HG3 H 1 1.142 0.004 . 2 . . 479 . . 13 LYS HG3 . 52391 1 95 . 1 . 1 13 13 LYS HD2 H 1 1.525 0.004 . 2 . . 481 . . 13 LYS HD2 . 52391 1 96 . 1 . 1 13 13 LYS HD3 H 1 1.499 0.008 . 2 . . 1081 . . 13 LYS HD3 . 52391 1 97 . 1 . 1 13 13 LYS HE2 H 1 2.843 0.002 . 1 . . 480 . . 13 LYS HE2 . 52391 1 98 . 1 . 1 13 13 LYS N N 15 118.764 . . 1 . . 387 . . 13 LYS N . 52391 1 99 . 1 . 1 14 14 TYR H H 1 7.825 0.004 . 1 . . 471 . . 14 TYR H . 52391 1 100 . 1 . 1 14 14 TYR HA H 1 4.459 0.002 . 1 . . 474 . . 14 TYR HA . 52391 1 101 . 1 . 1 14 14 TYR HB2 H 1 2.898 0.002 . 2 . . 472 . . 14 TYR HB2 . 52391 1 102 . 1 . 1 14 14 TYR HB3 H 1 3.040 0.009 . 2 . . 473 . . 14 TYR HB3 . 52391 1 103 . 1 . 1 14 14 TYR HD1 H 1 7.061 0.005 . 1 . . 477 . . 14 TYR HD1 . 52391 1 104 . 1 . 1 14 14 TYR HD2 H 1 7.061 0.005 . 1 . . 477 . . 14 TYR HD2 . 52391 1 105 . 1 . 1 14 14 TYR HE1 H 1 6.728 0.006 . 1 . . 476 . . 14 TYR HE1 . 52391 1 106 . 1 . 1 14 14 TYR HE2 H 1 6.728 0.006 . 1 . . 476 . . 14 TYR HE2 . 52391 1 107 . 1 . 1 14 14 TYR N N 15 122.145 . . 1 . . 475 . . 14 TYR N . 52391 1 108 . 1 . 1 15 15 ARG H H 1 7.819 0.004 . 1 . . 442 . . 15 ARG H . 52391 1 109 . 1 . 1 15 15 ARG HA H 1 4.161 0.004 . 1 . . 443 . . 15 ARG HA . 52391 1 110 . 1 . 1 15 15 ARG HB2 H 1 1.748 0.004 . 2 . . 444 . . 15 ARG HB2 . 52391 1 111 . 1 . 1 15 15 ARG HB3 H 1 1.703 0.007 . 2 . . 447 . . 15 ARG HB3 . 52391 1 112 . 1 . 1 15 15 ARG HG2 H 1 1.530 0.003 . 2 . . 445 . . 15 ARG HG2 . 52391 1 113 . 1 . 1 15 15 ARG HG3 H 1 1.561 0.007 . 2 . . 448 . . 15 ARG HG3 . 52391 1 114 . 1 . 1 15 15 ARG HD2 H 1 3.111 0.008 . 1 . . 446 . . 15 ARG HD2 . 52391 1 115 . 1 . 1 15 15 ARG HE H 1 7.111 0.009 . 1 . . 441 . . 15 ARG HE . 52391 1 116 . 1 . 1 15 15 ARG N N 15 119.107 . . 1 . . 456 . . 15 ARG N . 52391 1 117 . 1 . 1 16 16 ALA H H 1 8.089 0.006 . 1 . . 394 . . 16 ALA H . 52391 1 118 . 1 . 1 16 16 ALA HA H 1 4.264 0.012 . 1 . . 449 . . 16 ALA HA . 52391 1 119 . 1 . 1 16 16 ALA HB1 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB1 . 52391 1 120 . 1 . 1 16 16 ALA HB2 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB2 . 52391 1 121 . 1 . 1 16 16 ALA HB3 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB3 . 52391 1 122 . 1 . 1 16 16 ALA N N 15 124.608 . . 1 . . 395 . . 16 ALA N . 52391 1 123 . 1 . 1 17 17 THR H H 1 8.002 0.005 . 1 . . 487 . . 17 THR H . 52391 1 124 . 1 . 1 17 17 THR HA H 1 4.267 0.005 . 1 . . 490 . . 17 THR HA . 52391 1 125 . 1 . 1 17 17 THR HB H 1 4.196 0.004 . 1 . . 489 . . 17 THR HB . 52391 1 126 . 1 . 1 17 17 THR HG1 H 1 5.260 0.0 . 1 . . 496 . . 17 THR HG1 . 52391 1 127 . 1 . 1 17 17 THR HG21 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG21 . 52391 1 128 . 1 . 1 17 17 THR HG22 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG22 . 52391 1 129 . 1 . 1 17 17 THR HG23 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG23 . 52391 1 130 . 1 . 1 17 17 THR N N 15 112.502 . . 1 . . 488 . . 17 THR N . 52391 1 131 . 1 . 1 18 18 GLY H H 1 8.267 0.003 . 1 . . 418 . . 18 GLY H . 52391 1 132 . 1 . 1 18 18 GLY HA2 H 1 3.944 0.016 . 1 . . 431 . . 18 GLY HA2 . 52391 1 133 . 1 . 1 18 18 GLY N N 15 110.995 . . 1 . . 419 . . 18 GLY N . 52391 1 134 . 1 . 1 19 19 THR H H 1 7.963 0.004 . 1 . . 432 . . 19 THR H . 52391 1 135 . 1 . 1 19 19 THR HA H 1 4.247 0.003 . 1 . . 435 . . 19 THR HA . 52391 1 136 . 1 . 1 19 19 THR HB H 1 4.087 0.002 . 1 . . 436 . . 19 THR HB . 52391 1 137 . 1 . 1 19 19 THR HG1 H 1 5.185 0.0 . 1 . . 497 . . 19 THR HG1 . 52391 1 138 . 1 . 1 19 19 THR HG21 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG21 . 52391 1 139 . 1 . 1 19 19 THR HG22 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG22 . 52391 1 140 . 1 . 1 19 19 THR HG23 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG23 . 52391 1 141 . 1 . 1 19 19 THR N N 15 113.626 . . 1 . . 433 . . 19 THR N . 52391 1 142 . 1 . 1 20 20 ALA H H 1 8.247 0.005 . 1 . . 392 . . 20 ALA H . 52391 1 143 . 1 . 1 20 20 ALA HA H 1 4.484 0.006 . 1 . . 483 . . 20 ALA HA . 52391 1 144 . 1 . 1 20 20 ALA HB1 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB1 . 52391 1 145 . 1 . 1 20 20 ALA HB2 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB2 . 52391 1 146 . 1 . 1 20 20 ALA HB3 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB3 . 52391 1 147 . 1 . 1 20 20 ALA N N 15 128.113 . . 1 . . 393 . . 20 ALA N . 52391 1 148 . 1 . 1 21 21 PRO HA H 1 4.314 0.011 . 1 . . 411 . . 21 PRO HA . 52391 1 149 . 1 . 1 21 21 PRO HB2 H 1 2.194 0.006 . 2 . . 408 . . 21 PRO HB2 . 52391 1 150 . 1 . 1 21 21 PRO HB3 H 1 1.793 0.004 . 2 . . 412 . . 21 PRO HB3 . 52391 1 151 . 1 . 1 21 21 PRO HG2 H 1 1.920 0.006 . 1 . . 413 . . 21 PRO HG2 . 52391 1 152 . 1 . 1 21 21 PRO HD2 H 1 3.690 0.002 . 2 . . 409 . . 21 PRO HD2 . 52391 1 153 . 1 . 1 21 21 PRO HD3 H 1 3.535 0.009 . 2 . . 410 . . 21 PRO HD3 . 52391 1 154 . 1 . 1 22 22 LYS H H 1 8.252 0.001 . 1 . . 485 . . 22 LYS H . 52391 1 155 . 1 . 1 22 22 LYS HA H 1 4.166 0.004 . 1 . . 492 . . 22 LYS HA . 52391 1 156 . 1 . 1 22 22 LYS HB2 H 1 1.693 0.002 . 1 . . 631 . . 22 LYS HB2 . 52391 1 157 . 1 . 1 22 22 LYS HG2 H 1 1.386 0.003 . 2 . . 633 . . 22 LYS HG2 . 52391 1 158 . 1 . 1 22 22 LYS HG3 H 1 1.319 0.004 . 2 . . 634 . . 22 LYS HG3 . 52391 1 159 . 1 . 1 22 22 LYS HD2 H 1 1.591 0.006 . 1 . . 632 . . 22 LYS HD2 . 52391 1 160 . 1 . 1 22 22 LYS HE2 H 1 2.904 0.001 . 1 . . 494 . . 22 LYS HE2 . 52391 1 161 . 1 . 1 22 22 LYS HZ1 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ1 . 52391 1 162 . 1 . 1 22 22 LYS HZ2 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ2 . 52391 1 163 . 1 . 1 22 22 LYS HZ3 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ3 . 52391 1 164 . 1 . 1 22 22 LYS N N 15 121.680 . . 1 . . 486 . . 22 LYS N . 52391 1 165 . 1 . 1 23 23 LYS H H 1 8.222 0.003 . 1 . . 610 . . 23 LYS H . 52391 1 166 . 1 . 1 23 23 LYS HA H 1 4.214 0.006 . 1 . . 612 . . 23 LYS HA . 52391 1 167 . 1 . 1 23 23 LYS HB2 H 1 1.648 0.006 . 1 . . 628 . . 23 LYS HB2 . 52391 1 168 . 1 . 1 23 23 LYS HG2 H 1 1.255 0.006 . 2 . . 613 . . 23 LYS HG2 . 52391 1 169 . 1 . 1 23 23 LYS HG3 H 1 1.308 0.009 . 2 . . 630 . . 23 LYS HG3 . 52391 1 170 . 1 . 1 23 23 LYS HD2 H 1 1.580 0.004 . 1 . . 629 . . 23 LYS HD2 . 52391 1 171 . 1 . 1 23 23 LYS HE2 H 1 2.878 0.006 . 1 . . 611 . . 23 LYS HE2 . 52391 1 172 . 1 . 1 23 23 LYS HZ1 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ1 . 52391 1 173 . 1 . 1 23 23 LYS HZ2 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ2 . 52391 1 174 . 1 . 1 23 23 LYS HZ3 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ3 . 52391 1 175 . 1 . 1 23 23 LYS N N 15 123.172 . . 1 . . 620 . . 23 LYS N . 52391 1 176 . 1 . 1 24 24 ILE H H 1 8.158 0.007 . 1 . . 423 . . 24 ILE H . 52391 1 177 . 1 . 1 24 24 ILE HA H 1 4.068 0.007 . 1 . . 430 . . 24 ILE HA . 52391 1 178 . 1 . 1 24 24 ILE HB H 1 1.747 0.003 . 1 . . 427 . . 24 ILE HB . 52391 1 179 . 1 . 1 24 24 ILE HG12 H 1 1.376 0.006 . 2 . . 425 . . 24 ILE HG12 . 52391 1 180 . 1 . 1 24 24 ILE HG13 H 1 1.076 0.006 . 2 . . 426 . . 24 ILE HG13 . 52391 1 181 . 1 . 1 24 24 ILE HG21 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG21 . 52391 1 182 . 1 . 1 24 24 ILE HG22 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG22 . 52391 1 183 . 1 . 1 24 24 ILE HG23 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG23 . 52391 1 184 . 1 . 1 24 24 ILE HD11 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD11 . 52391 1 185 . 1 . 1 24 24 ILE HD12 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD12 . 52391 1 186 . 1 . 1 24 24 ILE HD13 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD13 . 52391 1 187 . 1 . 1 24 24 ILE N N 15 123.436 . . 1 . . 424 . . 24 ILE N . 52391 1 188 . 1 . 1 25 25 LEU H H 1 8.265 0.003 . 1 . . 390 . . 25 LEU H . 52391 1 189 . 1 . 1 25 25 LEU HA H 1 4.286 0.008 . 1 . . 626 . . 25 LEU HA . 52391 1 190 . 1 . 1 25 25 LEU HB2 H 1 1.573 0.009 . 1 . . 635 . . 25 LEU HB2 . 52391 1 191 . 1 . 1 25 25 LEU HG H 1 1.514 0.009 . 1 . . 627 . . 25 LEU HG . 52391 1 192 . 1 . 1 25 25 LEU HD11 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD11 . 52391 1 193 . 1 . 1 25 25 LEU HD12 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD12 . 52391 1 194 . 1 . 1 25 25 LEU HD13 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD13 . 52391 1 195 . 1 . 1 25 25 LEU HD21 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD21 . 52391 1 196 . 1 . 1 25 25 LEU HD22 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD22 . 52391 1 197 . 1 . 1 25 25 LEU HD23 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD23 . 52391 1 198 . 1 . 1 25 25 LEU N N 15 126.689 . . 1 . . 391 . . 25 LEU N . 52391 1 199 . 1 . 1 26 26 GLY H H 1 8.204 0.004 . 1 . . 398 . . 26 GLY H . 52391 1 200 . 1 . 1 26 26 GLY HA2 H 1 3.798 0.01 . 1 . . 405 . . 26 GLY HA2 . 52391 1 201 . 1 . 1 26 26 GLY N N 15 109.499 . . 1 . . 399 . . 26 GLY N . 52391 1 202 . 1 . 1 27 27 ILE H H 1 7.664 0.013 . 1 . . 384 . . 27 ILE H . 52391 1 203 . 1 . 1 27 27 ILE HA H 1 4.056 0.004 . 1 . . 383 . . 27 ILE HA . 52391 1 204 . 1 . 1 27 27 ILE HB H 1 1.677 0.006 . 1 . . 402 . . 27 ILE HB . 52391 1 205 . 1 . 1 27 27 ILE HG12 H 1 1.209 0.0 . 1 . . 404 . . 27 ILE HG12 . 52391 1 206 . 1 . 1 27 27 ILE HG21 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG21 . 52391 1 207 . 1 . 1 27 27 ILE HG22 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG22 . 52391 1 208 . 1 . 1 27 27 ILE HG23 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG23 . 52391 1 209 . 1 . 1 27 27 ILE HD11 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD11 . 52391 1 210 . 1 . 1 27 27 ILE HD12 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD12 . 52391 1 211 . 1 . 1 27 27 ILE HD13 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD13 . 52391 1 212 . 1 . 1 27 27 ILE N N 15 119.352 . . 1 . . 385 . . 27 ILE N . 52391 1 213 . 1 . 1 28 28 PHE H H 1 8.023 0.006 . 1 . . 369 . . 28 PHE H . 52391 1 214 . 1 . 1 28 28 PHE HA H 1 4.501 0.008 . 1 . . 370 . . 28 PHE HA . 52391 1 215 . 1 . 1 28 28 PHE HB2 H 1 3.116 0.012 . 2 . . 365 . . 28 PHE HB2 . 52391 1 216 . 1 . 1 28 28 PHE HB3 H 1 2.897 0.007 . 2 . . 368 . . 28 PHE HB3 . 52391 1 217 . 1 . 1 28 28 PHE HD1 H 1 7.160 0.006 . 1 . . 366 . . 28 PHE HD1 . 52391 1 218 . 1 . 1 28 28 PHE HD2 H 1 7.160 0.006 . 1 . . 366 . . 28 PHE HD2 . 52391 1 219 . 1 . 1 28 28 PHE HE1 H 1 7.240 0.006 . 1 . . 364 . . 28 PHE HE1 . 52391 1 220 . 1 . 1 28 28 PHE HE2 H 1 7.240 0.006 . 1 . . 364 . . 28 PHE HE2 . 52391 1 221 . 1 . 1 28 28 PHE HZ H 1 7.199 0.004 . 1 . . 367 . . 28 PHE HZ . 52391 1 222 . 1 . 1 28 28 PHE N N 15 126.511 . . 1 . . 371 . . 28 PHE N . 52391 1 stop_ save_