data_52393 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52393 _Entry.Title ; StREM13 150-198 ; _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 . _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 . . . . 52393 2 Birgit Habenstein . . . . 52393 3 Anthony Legrand . . . . 52393 4 Melanie Berbon . . . . 52393 5 Axelle Grelard . . . . 52393 6 Estelle Morvan . . . . 52393 7 Antoine Loquet . . . . 52393 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' . 52393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 49 52393 '1H chemical shifts' 346 52393 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 . 52393 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52390 'StREM13 160-198' 52393 BMRB 52391 'StREM13 171-198' 52393 BMRB 52402 'AtREM11 156-175' 52393 BMRB 52403 'AtREM12 193-212' 52393 BMRB 52404 'AtREM13 171-190' 52393 BMRB 52405 'MtREM22 189-208' 52393 BMRB 52406 'AtREM41 277-296' 52393 BMRB 52407 'AtREM51 536-555' 52393 BMRB 52408 'AtREM62 490-509' 52393 BMRB 52409 'AtREM63 423-442' 52393 BMRB 52410 'AtREM64 408-427' 52393 BMRB 52411 'AtREM65 328-347' 52393 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52393 _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 . . . . 52393 1 2 Birgit Habenstein . . . . 52393 1 3 Anthony Legrand . . . . 52393 1 4 Melanie Berbon . . . . 52393 1 5 Axelle Grelard . . . . 52393 1 6 Estelle Morvan . . . . 52393 1 7 Antoine Loquet . . . . 52393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52393 _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 . . . 52393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52393 _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 ; NKIALLHKEAEEKRAMIEAK RGEDLLKAEELAAKYRATGT APKKILGIF ; _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 . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5465.452 _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. ; 52393 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 . ASN . 52393 1 2 . LYS . 52393 1 3 . ILE . 52393 1 4 . ALA . 52393 1 5 . LEU . 52393 1 6 . LEU . 52393 1 7 . HIS . 52393 1 8 . LYS . 52393 1 9 . GLU . 52393 1 10 . ALA . 52393 1 11 . GLU . 52393 1 12 . GLU . 52393 1 13 . LYS . 52393 1 14 . ARG . 52393 1 15 . ALA . 52393 1 16 . MET . 52393 1 17 . ILE . 52393 1 18 . GLU . 52393 1 19 . ALA . 52393 1 20 . LYS . 52393 1 21 . ARG . 52393 1 22 . GLY . 52393 1 23 . GLU . 52393 1 24 . ASP . 52393 1 25 . LEU . 52393 1 26 . LEU . 52393 1 27 . LYS . 52393 1 28 . ALA . 52393 1 29 . GLU . 52393 1 30 . GLU . 52393 1 31 . LEU . 52393 1 32 . ALA . 52393 1 33 . ALA . 52393 1 34 . LYS . 52393 1 35 . TYR . 52393 1 36 . ARG . 52393 1 37 . ALA . 52393 1 38 . THR . 52393 1 39 . GLY . 52393 1 40 . THR . 52393 1 41 . ALA . 52393 1 42 . PRO . 52393 1 43 . LYS . 52393 1 44 . LYS . 52393 1 45 . ILE . 52393 1 46 . LEU . 52393 1 47 . GLY . 52393 1 48 . ILE . 52393 1 49 . PHE . 52393 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 . ASN 1 1 52393 1 . LYS 2 2 52393 1 . ILE 3 3 52393 1 . ALA 4 4 52393 1 . LEU 5 5 52393 1 . LEU 6 6 52393 1 . HIS 7 7 52393 1 . LYS 8 8 52393 1 . GLU 9 9 52393 1 . ALA 10 10 52393 1 . GLU 11 11 52393 1 . GLU 12 12 52393 1 . LYS 13 13 52393 1 . ARG 14 14 52393 1 . ALA 15 15 52393 1 . MET 16 16 52393 1 . ILE 17 17 52393 1 . GLU 18 18 52393 1 . ALA 19 19 52393 1 . LYS 20 20 52393 1 . ARG 21 21 52393 1 . GLY 22 22 52393 1 . GLU 23 23 52393 1 . ASP 24 24 52393 1 . LEU 25 25 52393 1 . LEU 26 26 52393 1 . LYS 27 27 52393 1 . ALA 28 28 52393 1 . GLU 29 29 52393 1 . GLU 30 30 52393 1 . LEU 31 31 52393 1 . ALA 32 32 52393 1 . ALA 33 33 52393 1 . LYS 34 34 52393 1 . TYR 35 35 52393 1 . ARG 36 36 52393 1 . ALA 37 37 52393 1 . THR 38 38 52393 1 . GLY 39 39 52393 1 . THR 40 40 52393 1 . ALA 41 41 52393 1 . PRO 42 42 52393 1 . LYS 43 43 52393 1 . LYS 44 44 52393 1 . ILE 45 45 52393 1 . LEU 46 46 52393 1 . GLY 47 47 52393 1 . ILE 48 48 52393 1 . PHE 49 49 52393 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 52393 _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 . . . . . . . . . . . . . 52393 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 52393 _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' . . . . . . . . . . . . . . . . 52393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52393 _Sample.ID 1 _Sample.Name StREM1.3/150-198 _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 StREM1.3/150-198 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 52393 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 52393 _Sample_condition_list.ID 1 _Sample_condition_list.Name StREM1.3/150-198 _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 52393 1 pH 4 . pH 52393 1 pressure 1 . atm 52393 1 temperature 298 . K 52393 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52393 _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' . 52393 1 'data analysis' . 52393 1 'peak picking' . 52393 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52393 _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 . 52393 2 processing . 52393 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 52393 _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 52393 _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_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52393 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52393 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52393 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_150-198_HSQC.zip . 'NMR experiment directory' . . 52393 1 2 '2D 1H-1H TOCSY' StREM13_150-198_TOCSY.zip . 'NMR experiment directory' . . 52393 1 3 '2D 1H-1H NOESY' StREM13_150-198_NOESY.zip . 'NMR experiment directory' . . 52393 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 52393 _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 . . . . . 52393 1 N 15 water protons . . . . ppm -254.9 na indirect 0.101329118 . . . . . 52393 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 52393 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name StREM13_150-198 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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' . . . 52393 1 2 '2D 1H-1H TOCSY' . . . 52393 1 3 '2D 1H-1H NOESY' . . . 52393 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 . . 52393 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 ASN H H 1 8.294 0.008 . 1 . . 815 . . 1 ASN H . 52393 1 2 . 1 . 1 1 1 ASN HA H 1 4.542 0.001 . 1 . . 817 . . 1 ASN HA . 52393 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.736 0.008 . 1 . . 816 . . 1 ASN HB2 . 52393 1 4 . 1 . 1 1 1 ASN HD21 H 1 7.576 0.002 . 1 . . 911 . . 1 ASN HD21 . 52393 1 5 . 1 . 1 1 1 ASN HD22 H 1 6.857 0.002 . 1 . . 912 . . 1 ASN HD22 . 52393 1 6 . 1 . 1 1 1 ASN N N 15 124.799 . . 1 . . 900 . . 1 ASN N . 52393 1 7 . 1 . 1 1 1 ASN ND2 N 15 112.690 . . 1 . . 1146 . . 1 ASN ND2 . 52393 1 8 . 1 . 1 2 2 LYS H H 1 8.393 0.006 . 1 . . 735 . . 2 LYS H . 52393 1 9 . 1 . 1 2 2 LYS HA H 1 4.113 0.001 . 1 . . 737 . . 2 LYS HA . 52393 1 10 . 1 . 1 2 2 LYS HB2 H 1 1.782 0.001 . 2 . . 741 . . 2 LYS HB2 . 52393 1 11 . 1 . 1 2 2 LYS HB3 H 1 1.745 0.001 . 2 . . 742 . . 2 LYS HB3 . 52393 1 12 . 1 . 1 2 2 LYS HG2 H 1 1.416 0.002 . 2 . . 743 . . 2 LYS HG2 . 52393 1 13 . 1 . 1 2 2 LYS HG3 H 1 1.329 0.002 . 2 . . 744 . . 2 LYS HG3 . 52393 1 14 . 1 . 1 2 2 LYS HD2 H 1 1.608 0.002 . 2 . . 740 . . 2 LYS HD2 . 52393 1 15 . 1 . 1 2 2 LYS HD3 H 1 1.556 0.009 . 2 . . 1032 . . 2 LYS HD3 . 52393 1 16 . 1 . 1 2 2 LYS HE2 H 1 2.911 0.004 . 1 . . 739 . . 2 LYS HE2 . 52393 1 17 . 1 . 1 2 2 LYS HZ1 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ1 . 52393 1 18 . 1 . 1 2 2 LYS HZ2 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ2 . 52393 1 19 . 1 . 1 2 2 LYS HZ3 H 1 7.473 0.002 . 1 . . 738 . . 2 LYS HZ3 . 52393 1 20 . 1 . 1 2 2 LYS N N 15 121.862 . . 1 . . 736 . . 2 LYS N . 52393 1 21 . 1 . 1 3 3 ILE H H 1 7.853 0.001 . 1 . . 785 . . 3 ILE H . 52393 1 22 . 1 . 1 3 3 ILE HA H 1 3.827 0.006 . 1 . . 787 . . 3 ILE HA . 52393 1 23 . 1 . 1 3 3 ILE HB H 1 1.801 0.002 . 1 . . 789 . . 3 ILE HB . 52393 1 24 . 1 . 1 3 3 ILE HG12 H 1 1.144 0.002 . 2 . . 790 . . 3 ILE HG12 . 52393 1 25 . 1 . 1 3 3 ILE HG13 H 1 1.397 0.006 . 2 . . 791 . . 3 ILE HG13 . 52393 1 26 . 1 . 1 3 3 ILE HG21 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG21 . 52393 1 27 . 1 . 1 3 3 ILE HG22 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG22 . 52393 1 28 . 1 . 1 3 3 ILE HG23 H 1 0.823 0.005 . 1 . . 1148 . . 3 ILE HG23 . 52393 1 29 . 1 . 1 3 3 ILE HD11 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD11 . 52393 1 30 . 1 . 1 3 3 ILE HD12 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD12 . 52393 1 31 . 1 . 1 3 3 ILE HD13 H 1 0.780 0.001 . 1 . . 788 . . 3 ILE HD13 . 52393 1 32 . 1 . 1 3 3 ILE N N 15 120.367 . . 1 . . 786 . . 3 ILE N . 52393 1 33 . 1 . 1 4 4 ALA H H 1 8.032 0.002 . 1 . . 913 . . 4 ALA H . 52393 1 34 . 1 . 1 4 4 ALA HA H 1 4.145 0.0 . 1 . . 916 . . 4 ALA HA . 52393 1 35 . 1 . 1 4 4 ALA HB1 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB1 . 52393 1 36 . 1 . 1 4 4 ALA HB2 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB2 . 52393 1 37 . 1 . 1 4 4 ALA HB3 H 1 1.346 0.002 . 1 . . 915 . . 4 ALA HB3 . 52393 1 38 . 1 . 1 4 4 ALA N N 15 125.394 . . 1 . . 914 . . 4 ALA N . 52393 1 39 . 1 . 1 5 5 LEU H H 1 7.924 0.002 . 1 . . 917 . . 5 LEU H . 52393 1 40 . 1 . 1 5 5 LEU HA H 1 4.123 0.002 . 1 . . 920 . . 5 LEU HA . 52393 1 41 . 1 . 1 5 5 LEU HB2 H 1 1.620 0.0 . 1 . . 922 . . 5 LEU HB2 . 52393 1 42 . 1 . 1 5 5 LEU HG H 1 1.559 0.001 . 1 . . 1031 . . 5 LEU HG . 52393 1 43 . 1 . 1 5 5 LEU HD11 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD11 . 52393 1 44 . 1 . 1 5 5 LEU HD12 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD12 . 52393 1 45 . 1 . 1 5 5 LEU HD13 H 1 0.842 0.003 . 2 . . 918 . . 5 LEU HD13 . 52393 1 46 . 1 . 1 5 5 LEU HD21 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD21 . 52393 1 47 . 1 . 1 5 5 LEU HD22 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD22 . 52393 1 48 . 1 . 1 5 5 LEU HD23 H 1 0.795 0.001 . 2 . . 919 . . 5 LEU HD23 . 52393 1 49 . 1 . 1 5 5 LEU N N 15 120.637 . . 1 . . 921 . . 5 LEU N . 52393 1 50 . 1 . 1 6 6 LEU H H 1 7.967 0.002 . 1 . . 994 . . 6 LEU H . 52393 1 51 . 1 . 1 6 6 LEU HA H 1 4.108 0.001 . 1 . . 999 . . 6 LEU HA . 52393 1 52 . 1 . 1 6 6 LEU HB2 H 1 1.609 0.002 . 2 . . 1036 . . 6 LEU HB2 . 52393 1 53 . 1 . 1 6 6 LEU HB3 H 1 1.686 0.001 . 2 . . 1149 . . 6 LEU HB3 . 52393 1 54 . 1 . 1 6 6 LEU HG H 1 1.458 0.005 . 1 . . 997 . . 6 LEU HG . 52393 1 55 . 1 . 1 6 6 LEU HD11 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD11 . 52393 1 56 . 1 . 1 6 6 LEU HD12 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD12 . 52393 1 57 . 1 . 1 6 6 LEU HD13 H 1 0.826 0.003 . 2 . . 996 . . 6 LEU HD13 . 52393 1 58 . 1 . 1 6 6 LEU HD21 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD21 . 52393 1 59 . 1 . 1 6 6 LEU HD22 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD22 . 52393 1 60 . 1 . 1 6 6 LEU HD23 H 1 0.783 0.002 . 2 . . 998 . . 6 LEU HD23 . 52393 1 61 . 1 . 1 6 6 LEU N N 15 120.904 . . 1 . . 995 . . 6 LEU N . 52393 1 62 . 1 . 1 7 7 HIS H H 1 8.252 0.002 . 1 . . 936 . . 7 HIS H . 52393 1 63 . 1 . 1 7 7 HIS HA H 1 4.506 0.003 . 1 . . 935 . . 7 HIS HA . 52393 1 64 . 1 . 1 7 7 HIS HB2 H 1 3.248 0.001 . 2 . . 933 . . 7 HIS HB2 . 52393 1 65 . 1 . 1 7 7 HIS HB3 H 1 3.212 0.001 . 2 . . 937 . . 7 HIS HB3 . 52393 1 66 . 1 . 1 7 7 HIS HD1 H 1 7.230 0.001 . 1 . . 932 . . 7 HIS HD1 . 52393 1 67 . 1 . 1 7 7 HIS HD2 H 1 8.542 0.002 . 1 . . 934 . . 7 HIS HD2 . 52393 1 68 . 1 . 1 7 7 HIS N N 15 118.300 . . 1 . . 931 . . 7 HIS N . 52393 1 69 . 1 . 1 8 8 LYS H H 1 8.154 0.002 . 1 . . 939 . . 8 LYS H . 52393 1 70 . 1 . 1 8 8 LYS HA H 1 4.090 0.0 . 1 . . 1043 . . 8 LYS HA . 52393 1 71 . 1 . 1 8 8 LYS HB2 H 1 1.862 0.004 . 1 . . 942 . . 8 LYS HB2 . 52393 1 72 . 1 . 1 8 8 LYS HG2 H 1 1.372 0.002 . 1 . . 1011 . . 8 LYS HG2 . 52393 1 73 . 1 . 1 8 8 LYS HD2 H 1 1.614 0.002 . 1 . . 1044 . . 8 LYS HD2 . 52393 1 74 . 1 . 1 8 8 LYS HE2 H 1 2.907 0.0 . 1 . . 847 . . 8 LYS HE2 . 52393 1 75 . 1 . 1 8 8 LYS N N 15 121.964 . . 1 . . 1010 . . 8 LYS N . 52393 1 76 . 1 . 1 9 9 GLU H H 1 8.356 0.004 . 1 . . 745 . . 9 GLU H . 52393 1 77 . 1 . 1 9 9 GLU HA H 1 4.097 0.0 . 1 . . 747 . . 9 GLU HA . 52393 1 78 . 1 . 1 9 9 GLU HB2 H 1 2.020 0.001 . 2 . . 750 . . 9 GLU HB2 . 52393 1 79 . 1 . 1 9 9 GLU HB3 H 1 2.061 0.003 . 2 . . 1150 . . 9 GLU HB3 . 52393 1 80 . 1 . 1 9 9 GLU HG2 H 1 2.507 0.008 . 2 . . 748 . . 9 GLU HG2 . 52393 1 81 . 1 . 1 9 9 GLU HG3 H 1 2.391 0.005 . 2 . . 749 . . 9 GLU HG3 . 52393 1 82 . 1 . 1 9 9 GLU N N 15 119.838 . . 1 . . 746 . . 9 GLU N . 52393 1 83 . 1 . 1 10 10 ALA H H 1 8.105 0.004 . 1 . . 943 . . 10 ALA H . 52393 1 84 . 1 . 1 10 10 ALA HA H 1 4.147 0.0 . 1 . . 946 . . 10 ALA HA . 52393 1 85 . 1 . 1 10 10 ALA HB1 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB1 . 52393 1 86 . 1 . 1 10 10 ALA HB2 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB2 . 52393 1 87 . 1 . 1 10 10 ALA HB3 H 1 1.404 0.003 . 1 . . 945 . . 10 ALA HB3 . 52393 1 88 . 1 . 1 10 10 ALA N N 15 123.402 . . 1 . . 944 . . 10 ALA N . 52393 1 89 . 1 . 1 11 11 GLU H H 1 8.051 0.002 . 1 . . 854 . . 11 GLU H . 52393 1 90 . 1 . 1 11 11 GLU HA H 1 4.094 0.001 . 1 . . 855 . . 11 GLU HA . 52393 1 91 . 1 . 1 11 11 GLU HB2 H 1 2.043 0.003 . 2 . . 857 . . 11 GLU HB2 . 52393 1 92 . 1 . 1 11 11 GLU HB3 H 1 2.009 0.0 . 2 . . 1147 . . 11 GLU HB3 . 52393 1 93 . 1 . 1 11 11 GLU HG2 H 1 2.332 0.009 . 2 . . 853 . . 11 GLU HG2 . 52393 1 94 . 1 . 1 11 11 GLU HG3 H 1 2.378 0.001 . 2 . . 856 . . 11 GLU HG3 . 52393 1 95 . 1 . 1 11 11 GLU N N 15 118.888 . . 1 . . 976 . . 11 GLU N . 52393 1 96 . 1 . 1 12 12 GLU H H 1 8.182 0.002 . 1 . . 1026 . . 12 GLU H . 52393 1 97 . 1 . 1 12 12 GLU HA H 1 4.100 0.0 . 1 . . 1027 . . 12 GLU HA . 52393 1 98 . 1 . 1 12 12 GLU HB2 H 1 2.049 0.002 . 1 . . 1030 . . 12 GLU HB2 . 52393 1 99 . 1 . 1 12 12 GLU HG2 H 1 2.499 0.006 . 2 . . 1028 . . 12 GLU HG2 . 52393 1 100 . 1 . 1 12 12 GLU HG3 H 1 2.402 0.003 . 2 . . 1029 . . 12 GLU HG3 . 52393 1 101 . 1 . 1 12 12 GLU N N 15 120.878 . . 1 . . 1045 . . 12 GLU N . 52393 1 102 . 1 . 1 13 13 LYS H H 1 8.073 0.002 . 1 . . 948 . . 13 LYS H . 52393 1 103 . 1 . 1 13 13 LYS HA H 1 4.140 0.003 . 1 . . 1049 . . 13 LYS HA . 52393 1 104 . 1 . 1 13 13 LYS HB2 H 1 1.793 0.001 . 1 . . 1051 . . 13 LYS HB2 . 52393 1 105 . 1 . 1 13 13 LYS HG2 H 1 1.369 0.002 . 2 . . 1053 . . 13 LYS HG2 . 52393 1 106 . 1 . 1 13 13 LYS HG3 H 1 1.472 0.005 . 2 . . 1152 . . 13 LYS HG3 . 52393 1 107 . 1 . 1 13 13 LYS HD2 H 1 1.617 0.001 . 1 . . 1052 . . 13 LYS HD2 . 52393 1 108 . 1 . 1 13 13 LYS HE2 H 1 2.912 0.003 . 1 . . 1050 . . 13 LYS HE2 . 52393 1 109 . 1 . 1 13 13 LYS HZ1 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ1 . 52393 1 110 . 1 . 1 13 13 LYS HZ2 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ2 . 52393 1 111 . 1 . 1 13 13 LYS HZ3 H 1 7.487 0.012 . 1 . . 1151 . . 13 LYS HZ3 . 52393 1 112 . 1 . 1 13 13 LYS N N 15 121.274 . . 1 . . 1048 . . 13 LYS N . 52393 1 113 . 1 . 1 14 14 ARG H H 1 7.940 0.005 . 1 . . 992 . . 14 ARG H . 52393 1 114 . 1 . 1 14 14 ARG HA H 1 4.077 0.003 . 1 . . 1145 . . 14 ARG HA . 52393 1 115 . 1 . 1 14 14 ARG HB2 H 1 1.796 0.002 . 1 . . 960 . . 14 ARG HB2 . 52393 1 116 . 1 . 1 14 14 ARG HG2 H 1 1.536 0.002 . 2 . . 958 . . 14 ARG HG2 . 52393 1 117 . 1 . 1 14 14 ARG HG3 H 1 1.644 0.002 . 2 . . 959 . . 14 ARG HG3 . 52393 1 118 . 1 . 1 14 14 ARG HD2 H 1 3.128 0.001 . 1 . . 957 . . 14 ARG HD2 . 52393 1 119 . 1 . 1 14 14 ARG HE H 1 7.171 0.004 . 1 . . 981 . . 14 ARG HE . 52393 1 120 . 1 . 1 14 14 ARG N N 15 120.332 . . 1 . . 993 . . 14 ARG N . 52393 1 121 . 1 . 1 15 15 ALA H H 1 8.075 0.001 . 1 . . 1068 . . 15 ALA H . 52393 1 122 . 1 . 1 15 15 ALA HA H 1 4.128 0.0 . 1 . . 1071 . . 15 ALA HA . 52393 1 123 . 1 . 1 15 15 ALA HB1 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB1 . 52393 1 124 . 1 . 1 15 15 ALA HB2 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB2 . 52393 1 125 . 1 . 1 15 15 ALA HB3 H 1 1.370 0.002 . 1 . . 1047 . . 15 ALA HB3 . 52393 1 126 . 1 . 1 15 15 ALA N N 15 122.906 . . 1 . . 1069 . . 15 ALA N . 52393 1 127 . 1 . 1 16 16 MET H H 1 8.018 0.007 . 1 . . 798 . . 16 MET H . 52393 1 128 . 1 . 1 16 16 MET HA H 1 4.276 0.007 . 1 . . 801 . . 16 MET HA . 52393 1 129 . 1 . 1 16 16 MET HB2 H 1 2.075 0.014 . 1 . . 802 . . 16 MET HB2 . 52393 1 130 . 1 . 1 16 16 MET HG2 H 1 2.613 0.003 . 2 . . 799 . . 16 MET HG2 . 52393 1 131 . 1 . 1 16 16 MET HG3 H 1 2.507 0.008 . 2 . . 800 . . 16 MET HG3 . 52393 1 132 . 1 . 1 16 16 MET N N 15 119.153 . . 1 . . 986 . . 16 MET N . 52393 1 133 . 1 . 1 17 17 ILE H H 1 7.949 0.007 . 1 . . 923 . . 17 ILE H . 52393 1 134 . 1 . 1 17 17 ILE HA H 1 3.886 0.006 . 1 . . 926 . . 17 ILE HA . 52393 1 135 . 1 . 1 17 17 ILE HB H 1 1.850 0.005 . 1 . . 928 . . 17 ILE HB . 52393 1 136 . 1 . 1 17 17 ILE HG12 H 1 1.520 0.001 . 2 . . 927 . . 17 ILE HG12 . 52393 1 137 . 1 . 1 17 17 ILE HG13 H 1 1.132 0.006 . 2 . . 929 . . 17 ILE HG13 . 52393 1 138 . 1 . 1 17 17 ILE HG21 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG21 . 52393 1 139 . 1 . 1 17 17 ILE HG22 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG22 . 52393 1 140 . 1 . 1 17 17 ILE HG23 H 1 0.837 0.003 . 1 . . 924 . . 17 ILE HG23 . 52393 1 141 . 1 . 1 17 17 ILE HD11 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD11 . 52393 1 142 . 1 . 1 17 17 ILE HD12 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD12 . 52393 1 143 . 1 . 1 17 17 ILE HD13 H 1 0.784 0.003 . 1 . . 925 . . 17 ILE HD13 . 52393 1 144 . 1 . 1 17 17 ILE N N 15 121.756 . . 1 . . 987 . . 17 ILE N . 52393 1 145 . 1 . 1 18 18 GLU H H 1 8.220 0.002 . 1 . . 904 . . 18 GLU H . 52393 1 146 . 1 . 1 18 18 GLU HA H 1 4.143 0.0 . 1 . . 930 . . 18 GLU HA . 52393 1 147 . 1 . 1 18 18 GLU HB2 H 1 2.016 0.001 . 2 . . 905 . . 18 GLU HB2 . 52393 1 148 . 1 . 1 18 18 GLU HB3 H 1 1.973 0.006 . 2 . . 1193 . . 18 GLU HB3 . 52393 1 149 . 1 . 1 18 18 GLU HG2 H 1 2.408 0.003 . 2 . . 906 . . 18 GLU HG2 . 52393 1 150 . 1 . 1 18 18 GLU HG3 H 1 2.445 0.002 . 2 . . 1192 . . 18 GLU HG3 . 52393 1 151 . 1 . 1 18 18 GLU N N 15 122.057 . . 1 . . 903 . . 18 GLU N . 52393 1 152 . 1 . 1 19 19 ALA H H 1 8.094 0.004 . 1 . . 1007 . . 19 ALA H . 52393 1 153 . 1 . 1 19 19 ALA HA H 1 4.167 0.001 . 1 . . 1008 . . 19 ALA HA . 52393 1 154 . 1 . 1 19 19 ALA HB1 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB1 . 52393 1 155 . 1 . 1 19 19 ALA HB2 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB2 . 52393 1 156 . 1 . 1 19 19 ALA HB3 H 1 1.376 0.003 . 1 . . 1070 . . 19 ALA HB3 . 52393 1 157 . 1 . 1 19 19 ALA N N 15 124.040 . . 1 . . 1009 . . 19 ALA N . 52393 1 158 . 1 . 1 20 20 LYS H H 1 7.991 0.0 . 1 . . 1001 . . 20 LYS H . 52393 1 159 . 1 . 1 20 20 LYS HA H 1 4.147 0.0 . 1 . . 1006 . . 20 LYS HA . 52393 1 160 . 1 . 1 20 20 LYS HB2 H 1 1.762 0.001 . 2 . . 1004 . . 20 LYS HB2 . 52393 1 161 . 1 . 1 20 20 LYS HB3 H 1 1.811 0.005 . 2 . . 1194 . . 20 LYS HB3 . 52393 1 162 . 1 . 1 20 20 LYS HG2 H 1 1.443 0.007 . 2 . . 1195 . . 20 LYS HG2 . 52393 1 163 . 1 . 1 20 20 LYS HG3 H 1 1.382 0.002 . 2 . . 1206 . . 20 LYS HG3 . 52393 1 164 . 1 . 1 20 20 LYS HD2 H 1 1.618 0.002 . 1 . . 1003 . . 20 LYS HD2 . 52393 1 165 . 1 . 1 20 20 LYS HE2 H 1 2.922 0.0 . 1 . . 1005 . . 20 LYS HE2 . 52393 1 166 . 1 . 1 20 20 LYS N N 15 119.895 . . 1 . . 1002 . . 20 LYS N . 52393 1 167 . 1 . 1 21 21 ARG H H 1 8.141 0.002 . 1 . . 1074 . . 21 ARG H . 52393 1 168 . 1 . 1 21 21 ARG HA H 1 4.193 0.002 . 1 . . 971 . . 21 ARG HA . 52393 1 169 . 1 . 1 21 21 ARG HB2 H 1 1.815 0.006 . 2 . . 1199 . . 21 ARG HB2 . 52393 1 170 . 1 . 1 21 21 ARG HB3 H 1 1.779 0.0 . 2 . . 1200 . . 21 ARG HB3 . 52393 1 171 . 1 . 1 21 21 ARG HG2 H 1 1.564 0.001 . 2 . . 1203 . . 21 ARG HG2 . 52393 1 172 . 1 . 1 21 21 ARG HG3 H 1 1.650 0.007 . 2 . . 1204 . . 21 ARG HG3 . 52393 1 173 . 1 . 1 21 21 ARG HD2 H 1 3.129 0.002 . 1 . . 1073 . . 21 ARG HD2 . 52393 1 174 . 1 . 1 21 21 ARG HE H 1 7.160 0.003 . 1 . . 1072 . . 21 ARG HE . 52393 1 175 . 1 . 1 21 21 ARG N N 15 121.011 . . 1 . . 1076 . . 21 ARG N . 52393 1 176 . 1 . 1 22 22 GLY H H 1 8.288 0.003 . 1 . . 901 . . 22 GLY H . 52393 1 177 . 1 . 1 22 22 GLY HA2 H 1 3.881 0.013 . 1 . . 1205 . . 22 GLY HA2 . 52393 1 178 . 1 . 1 22 22 GLY N N 15 108.525 . . 1 . . 902 . . 22 GLY N . 52393 1 179 . 1 . 1 23 23 GLU H H 1 8.140 0.003 . 1 . . 849 . . 23 GLU H . 52393 1 180 . 1 . 1 23 23 GLU HA H 1 4.170 0.002 . 1 . . 852 . . 23 GLU HA . 52393 1 181 . 1 . 1 23 23 GLU HB2 H 1 2.035 0.004 . 1 . . 850 . . 23 GLU HB2 . 52393 1 182 . 1 . 1 23 23 GLU HG2 H 1 2.411 0.003 . 1 . . 851 . . 23 GLU HG2 . 52393 1 183 . 1 . 1 23 23 GLU N N 15 120.882 . . 1 . . 907 . . 23 GLU N . 52393 1 184 . 1 . 1 24 24 ASP H H 1 8.429 0.005 . 1 . . 732 . . 24 ASP H . 52393 1 185 . 1 . 1 24 24 ASP HA H 1 4.472 0.006 . 1 . . 731 . . 24 ASP HA . 52393 1 186 . 1 . 1 24 24 ASP HB2 H 1 2.777 0.001 . 1 . . 734 . . 24 ASP HB2 . 52393 1 187 . 1 . 1 24 24 ASP N N 15 120.096 . . 1 . . 733 . . 24 ASP N . 52393 1 188 . 1 . 1 25 25 LEU H H 1 8.012 0.003 . 1 . . 969 . . 25 LEU H . 52393 1 189 . 1 . 1 25 25 LEU HA H 1 4.146 0.0 . 1 . . 972 . . 25 LEU HA . 52393 1 190 . 1 . 1 25 25 LEU HB2 H 1 1.590 0.008 . 1 . . 1018 . . 25 LEU HB2 . 52393 1 191 . 1 . 1 25 25 LEU HD11 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD11 . 52393 1 192 . 1 . 1 25 25 LEU HD12 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD12 . 52393 1 193 . 1 . 1 25 25 LEU HD13 H 1 0.796 0.001 . 2 . . 973 . . 25 LEU HD13 . 52393 1 194 . 1 . 1 25 25 LEU HD21 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD21 . 52393 1 195 . 1 . 1 25 25 LEU HD22 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD22 . 52393 1 196 . 1 . 1 25 25 LEU HD23 H 1 0.846 0.003 . 2 . . 974 . . 25 LEU HD23 . 52393 1 197 . 1 . 1 25 25 LEU N N 15 122.974 . . 1 . . 970 . . 25 LEU N . 52393 1 198 . 1 . 1 26 26 LEU H H 1 7.797 0.002 . 1 . . 766 . . 26 LEU H . 52393 1 199 . 1 . 1 26 26 LEU HA H 1 4.100 0.003 . 1 . . 977 . . 26 LEU HA . 52393 1 200 . 1 . 1 26 26 LEU HB2 H 1 1.634 0.003 . 1 . . 978 . . 26 LEU HB2 . 52393 1 201 . 1 . 1 26 26 LEU HG H 1 1.563 0.007 . 1 . . 979 . . 26 LEU HG . 52393 1 202 . 1 . 1 26 26 LEU HD11 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD11 . 52393 1 203 . 1 . 1 26 26 LEU HD12 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD12 . 52393 1 204 . 1 . 1 26 26 LEU HD13 H 1 0.849 0.005 . 2 . . 769 . . 26 LEU HD13 . 52393 1 205 . 1 . 1 26 26 LEU HD21 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD21 . 52393 1 206 . 1 . 1 26 26 LEU HD22 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD22 . 52393 1 207 . 1 . 1 26 26 LEU HD23 H 1 0.809 0.003 . 2 . . 770 . . 26 LEU HD23 . 52393 1 208 . 1 . 1 26 26 LEU N N 15 120.719 . . 1 . . 767 . . 26 LEU N . 52393 1 209 . 1 . 1 27 27 LYS H H 1 7.945 0.002 . 1 . . 963 . . 27 LYS H . 52393 1 210 . 1 . 1 27 27 LYS HA H 1 4.018 0.008 . 1 . . 961 . . 27 LYS HA . 52393 1 211 . 1 . 1 27 27 LYS HB2 H 1 1.787 0.001 . 1 . . 964 . . 27 LYS HB2 . 52393 1 212 . 1 . 1 27 27 LYS HG2 H 1 1.375 0.002 . 1 . . 965 . . 27 LYS HG2 . 52393 1 213 . 1 . 1 27 27 LYS HD2 H 1 1.637 0.003 . 1 . . 966 . . 27 LYS HD2 . 52393 1 214 . 1 . 1 27 27 LYS HE2 H 1 2.913 0.001 . 1 . . 962 . . 27 LYS HE2 . 52393 1 215 . 1 . 1 27 27 LYS HZ1 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ1 . 52393 1 216 . 1 . 1 27 27 LYS HZ2 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ2 . 52393 1 217 . 1 . 1 27 27 LYS HZ3 H 1 7.457 0.0 . 1 . . 1201 . . 27 LYS HZ3 . 52393 1 218 . 1 . 1 27 27 LYS N N 15 119.666 . . 1 . . 1000 . . 27 LYS N . 52393 1 219 . 1 . 1 28 28 ALA H H 1 7.911 0.004 . 1 . . 988 . . 28 ALA H . 52393 1 220 . 1 . 1 28 28 ALA HA H 1 4.107 0.001 . 1 . . 991 . . 28 ALA HA . 52393 1 221 . 1 . 1 28 28 ALA HB1 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB1 . 52393 1 222 . 1 . 1 28 28 ALA HB2 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB2 . 52393 1 223 . 1 . 1 28 28 ALA HB3 H 1 1.412 0.004 . 1 . . 990 . . 28 ALA HB3 . 52393 1 224 . 1 . 1 28 28 ALA N N 15 122.134 . . 1 . . 989 . . 28 ALA N . 52393 1 225 . 1 . 1 29 29 GLU H H 1 8.200 0.002 . 1 . . 1012 . . 29 GLU H . 52393 1 226 . 1 . 1 29 29 GLU HA H 1 4.086 0.002 . 1 . . 1014 . . 29 GLU HA . 52393 1 227 . 1 . 1 29 29 GLU HB2 H 1 2.141 0.004 . 2 . . 1016 . . 29 GLU HB2 . 52393 1 228 . 1 . 1 29 29 GLU HB3 H 1 2.053 0.008 . 2 . . 1060 . . 29 GLU HB3 . 52393 1 229 . 1 . 1 29 29 GLU HG2 H 1 2.551 0.006 . 2 . . 1015 . . 29 GLU HG2 . 52393 1 230 . 1 . 1 29 29 GLU HG3 H 1 2.409 0.003 . 2 . . 1059 . . 29 GLU HG3 . 52393 1 231 . 1 . 1 29 29 GLU N N 15 118.813 . . 1 . . 1013 . . 29 GLU N . 52393 1 232 . 1 . 1 30 30 GLU H H 1 8.179 0.004 . 1 . . 1057 . . 30 GLU H . 52393 1 233 . 1 . 1 30 30 GLU HA H 1 4.099 0.001 . 1 . . 1065 . . 30 GLU HA . 52393 1 234 . 1 . 1 30 30 GLU HB2 H 1 2.108 0.002 . 2 . . 1061 . . 30 GLU HB2 . 52393 1 235 . 1 . 1 30 30 GLU HB3 H 1 2.026 0.003 . 2 . . 1062 . . 30 GLU HB3 . 52393 1 236 . 1 . 1 30 30 GLU HG2 H 1 2.543 0.009 . 2 . . 1063 . . 30 GLU HG2 . 52393 1 237 . 1 . 1 30 30 GLU HG3 H 1 2.385 0.001 . 2 . . 1064 . . 30 GLU HG3 . 52393 1 238 . 1 . 1 30 30 GLU N N 15 120.373 . . 1 . . 1058 . . 30 GLU N . 52393 1 239 . 1 . 1 31 31 LEU H H 1 7.983 0.005 . 1 . . 1038 . . 31 LEU H . 52393 1 240 . 1 . 1 31 31 LEU HA H 1 4.094 0.002 . 1 . . 1067 . . 31 LEU HA . 52393 1 241 . 1 . 1 31 31 LEU HB2 H 1 1.652 0.002 . 1 . . 1040 . . 31 LEU HB2 . 52393 1 242 . 1 . 1 31 31 LEU HG H 1 1.554 0.004 . 1 . . 1041 . . 31 LEU HG . 52393 1 243 . 1 . 1 31 31 LEU HD11 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD11 . 52393 1 244 . 1 . 1 31 31 LEU HD12 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD12 . 52393 1 245 . 1 . 1 31 31 LEU HD13 H 1 0.784 0.002 . 2 . . 1042 . . 31 LEU HD13 . 52393 1 246 . 1 . 1 31 31 LEU HD21 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD21 . 52393 1 247 . 1 . 1 31 31 LEU HD22 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD22 . 52393 1 248 . 1 . 1 31 31 LEU HD23 H 1 0.816 0.005 . 2 . . 1066 . . 31 LEU HD23 . 52393 1 249 . 1 . 1 31 31 LEU N N 15 121.438 . . 1 . . 1039 . . 31 LEU N . 52393 1 250 . 1 . 1 32 32 ALA H H 1 7.839 0.001 . 1 . . 967 . . 32 ALA H . 52393 1 251 . 1 . 1 32 32 ALA HA H 1 4.129 0.004 . 1 . . 968 . . 32 ALA HA . 52393 1 252 . 1 . 1 32 32 ALA HB1 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB1 . 52393 1 253 . 1 . 1 32 32 ALA HB2 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB2 . 52393 1 254 . 1 . 1 32 32 ALA HB3 H 1 1.384 0.004 . 1 . . 1019 . . 32 ALA HB3 . 52393 1 255 . 1 . 1 32 32 ALA N N 15 121.942 . . 1 . . 1017 . . 32 ALA N . 52393 1 256 . 1 . 1 33 33 ALA H H 1 7.805 0.003 . 1 . . 1054 . . 33 ALA H . 52393 1 257 . 1 . 1 33 33 ALA HA H 1 4.098 0.001 . 1 . . 1056 . . 33 ALA HA . 52393 1 258 . 1 . 1 33 33 ALA HB1 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB1 . 52393 1 259 . 1 . 1 33 33 ALA HB2 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB2 . 52393 1 260 . 1 . 1 33 33 ALA HB3 H 1 1.357 0.002 . 1 . . 768 . . 33 ALA HB3 . 52393 1 261 . 1 . 1 33 33 ALA N N 15 120.843 . . 1 . . 1055 . . 33 ALA N . 52393 1 262 . 1 . 1 34 34 LYS H H 1 7.781 0.008 . 1 . . 759 . . 34 LYS H . 52393 1 263 . 1 . 1 34 34 LYS HA H 1 4.061 0.002 . 1 . . 765 . . 34 LYS HA . 52393 1 264 . 1 . 1 34 34 LYS HB2 H 1 1.663 0.001 . 2 . . 762 . . 34 LYS HB2 . 52393 1 265 . 1 . 1 34 34 LYS HB3 H 1 1.640 0.003 . 2 . . 1197 . . 34 LYS HB3 . 52393 1 266 . 1 . 1 34 34 LYS HG2 H 1 1.262 0.004 . 2 . . 751 . . 34 LYS HG2 . 52393 1 267 . 1 . 1 34 34 LYS HG3 H 1 1.152 0.008 . 2 . . 761 . . 34 LYS HG3 . 52393 1 268 . 1 . 1 34 34 LYS HD2 H 1 1.530 0.001 . 2 . . 763 . . 34 LYS HD2 . 52393 1 269 . 1 . 1 34 34 LYS HD3 H 1 1.556 0.001 . 2 . . 1198 . . 34 LYS HD3 . 52393 1 270 . 1 . 1 34 34 LYS HE2 H 1 2.855 0.004 . 1 . . 764 . . 34 LYS HE2 . 52393 1 271 . 1 . 1 34 34 LYS N N 15 118.833 . . 1 . . 760 . . 34 LYS N . 52393 1 272 . 1 . 1 35 35 TYR H H 1 7.834 0.001 . 1 . . 896 . . 35 TYR H . 52393 1 273 . 1 . 1 35 35 TYR HA H 1 4.455 0.004 . 1 . . 897 . . 35 TYR HA . 52393 1 274 . 1 . 1 35 35 TYR HB2 H 1 2.900 0.003 . 2 . . 940 . . 35 TYR HB2 . 52393 1 275 . 1 . 1 35 35 TYR HB3 H 1 3.023 0.009 . 2 . . 941 . . 35 TYR HB3 . 52393 1 276 . 1 . 1 35 35 TYR HD1 H 1 6.729 0.003 . 1 . . 909 . . 35 TYR HD1 . 52393 1 277 . 1 . 1 35 35 TYR HD2 H 1 6.729 0.003 . 1 . . 909 . . 35 TYR HD2 . 52393 1 278 . 1 . 1 35 35 TYR HE1 H 1 7.060 0.003 . 1 . . 910 . . 35 TYR HE1 . 52393 1 279 . 1 . 1 35 35 TYR HE2 H 1 7.060 0.003 . 1 . . 910 . . 35 TYR HE2 . 52393 1 280 . 1 . 1 35 35 TYR N N 15 122.161 . . 1 . . 908 . . 35 TYR N . 52393 1 281 . 1 . 1 36 36 ARG H H 1 7.830 0.001 . 1 . . 947 . . 36 ARG H . 52393 1 282 . 1 . 1 36 36 ARG HA H 1 4.163 0.001 . 1 . . 949 . . 36 ARG HA . 52393 1 283 . 1 . 1 36 36 ARG HB2 H 1 1.735 0.0 . 2 . . 953 . . 36 ARG HB2 . 52393 1 284 . 1 . 1 36 36 ARG HB3 H 1 1.693 0.0 . 2 . . 954 . . 36 ARG HB3 . 52393 1 285 . 1 . 1 36 36 ARG HG2 H 1 1.574 0.0 . 2 . . 951 . . 36 ARG HG2 . 52393 1 286 . 1 . 1 36 36 ARG HG3 H 1 1.506 0.0 . 2 . . 952 . . 36 ARG HG3 . 52393 1 287 . 1 . 1 36 36 ARG HD2 H 1 3.113 0.004 . 1 . . 955 . . 36 ARG HD2 . 52393 1 288 . 1 . 1 36 36 ARG HE H 1 7.108 0.001 . 1 . . 956 . . 36 ARG HE . 52393 1 289 . 1 . 1 36 36 ARG N N 15 119.423 . . 1 . . 950 . . 36 ARG N . 52393 1 290 . 1 . 1 37 37 ALA H H 1 8.104 0.006 . 1 . . 825 . . 37 ALA H . 52393 1 291 . 1 . 1 37 37 ALA HA H 1 4.271 0.0 . 1 . . 826 . . 37 ALA HA . 52393 1 292 . 1 . 1 37 37 ALA HB1 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB1 . 52393 1 293 . 1 . 1 37 37 ALA HB2 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB2 . 52393 1 294 . 1 . 1 37 37 ALA HB3 H 1 1.361 0.004 . 1 . . 827 . . 37 ALA HB3 . 52393 1 295 . 1 . 1 37 37 ALA N N 15 124.775 . . 1 . . 828 . . 37 ALA N . 52393 1 296 . 1 . 1 38 38 THR H H 1 8.013 0.002 . 1 . . 808 . . 38 THR H . 52393 1 297 . 1 . 1 38 38 THR HA H 1 4.265 0.002 . 1 . . 811 . . 38 THR HA . 52393 1 298 . 1 . 1 38 38 THR HB H 1 4.188 0.004 . 1 . . 812 . . 38 THR HB . 52393 1 299 . 1 . 1 38 38 THR HG1 H 1 5.254 0.003 . 1 . . 1023 . . 38 THR HG1 . 52393 1 300 . 1 . 1 38 38 THR HG21 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG21 . 52393 1 301 . 1 . 1 38 38 THR HG22 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG22 . 52393 1 302 . 1 . 1 38 38 THR HG23 H 1 1.150 0.006 . 1 . . 810 . . 38 THR HG23 . 52393 1 303 . 1 . 1 38 38 THR N N 15 112.618 . . 1 . . 809 . . 38 THR N . 52393 1 304 . 1 . 1 39 39 GLY H H 1 8.274 0.006 . 1 . . 774 . . 39 GLY H . 52393 1 305 . 1 . 1 39 39 GLY HA2 H 1 3.940 0.005 . 1 . . 776 . . 39 GLY HA2 . 52393 1 306 . 1 . 1 39 39 GLY N N 15 110.993 . . 1 . . 775 . . 39 GLY N . 52393 1 307 . 1 . 1 40 40 THR H H 1 7.970 0.002 . 1 . . 803 . . 40 THR H . 52393 1 308 . 1 . 1 40 40 THR HA H 1 4.248 0.002 . 1 . . 806 . . 40 THR HA . 52393 1 309 . 1 . 1 40 40 THR HB H 1 4.085 0.004 . 1 . . 807 . . 40 THR HB . 52393 1 310 . 1 . 1 40 40 THR HG1 H 1 5.179 0.003 . 1 . . 1020 . . 40 THR HG1 . 52393 1 311 . 1 . 1 40 40 THR HG21 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG21 . 52393 1 312 . 1 . 1 40 40 THR HG22 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG22 . 52393 1 313 . 1 . 1 40 40 THR HG23 H 1 1.103 0.002 . 1 . . 805 . . 40 THR HG23 . 52393 1 314 . 1 . 1 40 40 THR N N 15 113.671 . . 1 . . 804 . . 40 THR N . 52393 1 315 . 1 . 1 41 41 ALA H H 1 8.255 0.003 . 1 . . 898 . . 41 ALA H . 52393 1 316 . 1 . 1 41 41 ALA HA H 1 4.491 0.004 . 1 . . 813 . . 41 ALA HA . 52393 1 317 . 1 . 1 41 41 ALA HB1 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB1 . 52393 1 318 . 1 . 1 41 41 ALA HB2 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB2 . 52393 1 319 . 1 . 1 41 41 ALA HB3 H 1 1.272 0.005 . 1 . . 814 . . 41 ALA HB3 . 52393 1 320 . 1 . 1 41 41 ALA N N 15 128.096 . . 1 . . 899 . . 41 ALA N . 52393 1 321 . 1 . 1 42 42 PRO HA H 1 4.315 0.008 . 1 . . 797 . . 42 PRO HA . 52393 1 322 . 1 . 1 42 42 PRO HB2 H 1 2.204 0.009 . 2 . . 792 . . 42 PRO HB2 . 52393 1 323 . 1 . 1 42 42 PRO HB3 H 1 1.791 0.003 . 2 . . 796 . . 42 PRO HB3 . 52393 1 324 . 1 . 1 42 42 PRO HG2 H 1 1.926 0.006 . 1 . . 795 . . 42 PRO HG2 . 52393 1 325 . 1 . 1 42 42 PRO HD2 H 1 3.703 0.01 . 2 . . 793 . . 42 PRO HD2 . 52393 1 326 . 1 . 1 42 42 PRO HD3 H 1 3.539 0.001 . 2 . . 794 . . 42 PRO HD3 . 52393 1 327 . 1 . 1 43 43 LYS H H 1 8.254 0.002 . 1 . . 838 . . 43 LYS H . 52393 1 328 . 1 . 1 43 43 LYS HA H 1 4.165 0.0 . 1 . . 837 . . 43 LYS HA . 52393 1 329 . 1 . 1 43 43 LYS HB2 H 1 1.701 0.002 . 2 . . 1034 . . 43 LYS HB2 . 52393 1 330 . 1 . 1 43 43 LYS HB3 H 1 1.659 0.002 . 2 . . 1035 . . 43 LYS HB3 . 52393 1 331 . 1 . 1 43 43 LYS HG2 H 1 1.371 0.004 . 1 . . 1196 . . 43 LYS HG2 . 52393 1 332 . 1 . 1 43 43 LYS HD2 H 1 1.591 0.001 . 1 . . 1033 . . 43 LYS HD2 . 52393 1 333 . 1 . 1 43 43 LYS HE2 H 1 2.910 0.0 . 1 . . 840 . . 43 LYS HE2 . 52393 1 334 . 1 . 1 43 43 LYS HZ1 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ1 . 52393 1 335 . 1 . 1 43 43 LYS HZ2 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ2 . 52393 1 336 . 1 . 1 43 43 LYS HZ3 H 1 7.452 0.001 . 1 . . 839 . . 43 LYS HZ3 . 52393 1 337 . 1 . 1 43 43 LYS N N 15 121.638 . . 1 . . 938 . . 43 LYS N . 52393 1 338 . 1 . 1 44 44 LYS H H 1 8.220 0.004 . 1 . . 831 . . 44 LYS H . 52393 1 339 . 1 . 1 44 44 LYS HA H 1 4.209 0.002 . 1 . . 830 . . 44 LYS HA . 52393 1 340 . 1 . 1 44 44 LYS HB2 H 1 1.656 0.001 . 1 . . 834 . . 44 LYS HB2 . 52393 1 341 . 1 . 1 44 44 LYS HG2 H 1 1.253 0.01 . 2 . . 833 . . 44 LYS HG2 . 52393 1 342 . 1 . 1 44 44 LYS HG3 H 1 1.327 0.004 . 2 . . 836 . . 44 LYS HG3 . 52393 1 343 . 1 . 1 44 44 LYS HD2 H 1 1.583 0.001 . 1 . . 835 . . 44 LYS HD2 . 52393 1 344 . 1 . 1 44 44 LYS HE2 H 1 2.883 0.003 . 1 . . 832 . . 44 LYS HE2 . 52393 1 345 . 1 . 1 44 44 LYS HZ1 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ1 . 52393 1 346 . 1 . 1 44 44 LYS HZ2 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ2 . 52393 1 347 . 1 . 1 44 44 LYS HZ3 H 1 7.460 0.007 . 1 . . 829 . . 44 LYS HZ3 . 52393 1 348 . 1 . 1 44 44 LYS N N 15 123.117 . . 1 . . 1046 . . 44 LYS N . 52393 1 349 . 1 . 1 45 45 ILE H H 1 8.158 0.006 . 1 . . 842 . . 45 ILE H . 52393 1 350 . 1 . 1 45 45 ILE HA H 1 4.074 0.004 . 1 . . 848 . . 45 ILE HA . 52393 1 351 . 1 . 1 45 45 ILE HB H 1 1.750 0.004 . 1 . . 846 . . 45 ILE HB . 52393 1 352 . 1 . 1 45 45 ILE HG12 H 1 1.077 0.004 . 2 . . 844 . . 45 ILE HG12 . 52393 1 353 . 1 . 1 45 45 ILE HG13 H 1 1.379 0.002 . 2 . . 845 . . 45 ILE HG13 . 52393 1 354 . 1 . 1 45 45 ILE HG21 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG21 . 52393 1 355 . 1 . 1 45 45 ILE HG22 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG22 . 52393 1 356 . 1 . 1 45 45 ILE HG23 H 1 0.804 0.001 . 1 . . 843 . . 45 ILE HG23 . 52393 1 357 . 1 . 1 45 45 ILE HD11 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD11 . 52393 1 358 . 1 . 1 45 45 ILE HD12 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD12 . 52393 1 359 . 1 . 1 45 45 ILE HD13 H 1 0.751 0.003 . 1 . . 841 . . 45 ILE HD13 . 52393 1 360 . 1 . 1 45 45 ILE N N 15 123.393 . . 1 . . 975 . . 45 ILE N . 52393 1 361 . 1 . 1 46 46 LEU H H 1 8.267 0.004 . 1 . . 818 . . 46 LEU H . 52393 1 362 . 1 . 1 46 46 LEU HA H 1 4.290 0.004 . 1 . . 820 . . 46 LEU HA . 52393 1 363 . 1 . 1 46 46 LEU HB2 H 1 1.569 0.004 . 1 . . 823 . . 46 LEU HB2 . 52393 1 364 . 1 . 1 46 46 LEU HG H 1 1.517 0.002 . 1 . . 824 . . 46 LEU HG . 52393 1 365 . 1 . 1 46 46 LEU HD11 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD11 . 52393 1 366 . 1 . 1 46 46 LEU HD12 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD12 . 52393 1 367 . 1 . 1 46 46 LEU HD13 H 1 0.790 0.001 . 2 . . 821 . . 46 LEU HD13 . 52393 1 368 . 1 . 1 46 46 LEU HD21 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD21 . 52393 1 369 . 1 . 1 46 46 LEU HD22 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD22 . 52393 1 370 . 1 . 1 46 46 LEU HD23 H 1 0.851 0.007 . 2 . . 822 . . 46 LEU HD23 . 52393 1 371 . 1 . 1 46 46 LEU N N 15 126.688 . . 1 . . 819 . . 46 LEU N . 52393 1 372 . 1 . 1 47 47 GLY H H 1 8.202 0.001 . 1 . . 771 . . 47 GLY H . 52393 1 373 . 1 . 1 47 47 GLY HA2 H 1 3.809 0.015 . 1 . . 772 . . 47 GLY HA2 . 52393 1 374 . 1 . 1 47 47 GLY N N 15 109.450 . . 1 . . 773 . . 47 GLY N . 52393 1 375 . 1 . 1 48 48 ILE H H 1 7.662 0.003 . 1 . . 752 . . 48 ILE H . 52393 1 376 . 1 . 1 48 48 ILE HA H 1 4.057 0.007 . 1 . . 758 . . 48 ILE HA . 52393 1 377 . 1 . 1 48 48 ILE HB H 1 1.678 0.001 . 1 . . 754 . . 48 ILE HB . 52393 1 378 . 1 . 1 48 48 ILE HG12 H 1 1.215 0.003 . 1 . . 755 . . 48 ILE HG12 . 52393 1 379 . 1 . 1 48 48 ILE HG21 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG21 . 52393 1 380 . 1 . 1 48 48 ILE HG22 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG22 . 52393 1 381 . 1 . 1 48 48 ILE HG23 H 1 0.972 0.006 . 1 . . 756 . . 48 ILE HG23 . 52393 1 382 . 1 . 1 48 48 ILE HD11 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD11 . 52393 1 383 . 1 . 1 48 48 ILE HD12 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD12 . 52393 1 384 . 1 . 1 48 48 ILE HD13 H 1 0.723 0.008 . 1 . . 757 . . 48 ILE HD13 . 52393 1 385 . 1 . 1 48 48 ILE N N 15 119.291 . . 1 . . 753 . . 48 ILE N . 52393 1 386 . 1 . 1 49 49 PHE H H 1 8.114 0.008 . 1 . . 777 . . 49 PHE H . 52393 1 387 . 1 . 1 49 49 PHE HA H 1 4.537 0.003 . 1 . . 781 . . 49 PHE HA . 52393 1 388 . 1 . 1 49 49 PHE HB2 H 1 3.134 0.003 . 2 . . 780 . . 49 PHE HB2 . 52393 1 389 . 1 . 1 49 49 PHE HB3 H 1 2.911 0.0 . 2 . . 782 . . 49 PHE HB3 . 52393 1 390 . 1 . 1 49 49 PHE HD1 H 1 7.170 0.006 . 1 . . 779 . . 49 PHE HD1 . 52393 1 391 . 1 . 1 49 49 PHE HD2 H 1 7.170 0.006 . 1 . . 779 . . 49 PHE HD2 . 52393 1 392 . 1 . 1 49 49 PHE HE1 H 1 7.205 0.001 . 1 . . 784 . . 49 PHE HE1 . 52393 1 393 . 1 . 1 49 49 PHE HE2 H 1 7.205 0.001 . 1 . . 784 . . 49 PHE HE2 . 52393 1 394 . 1 . 1 49 49 PHE HZ H 1 7.242 0.006 . 1 . . 783 . . 49 PHE HZ . 52393 1 395 . 1 . 1 49 49 PHE N N 15 125.861 . . 1 . . 778 . . 49 PHE N . 52393 1 stop_ save_