data_51287 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51287 _Entry.Title ; S. cerevisiae SERF sidechain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-22 _Entry.Accession_date 2022-01-22 _Entry.Last_release_date 2022-01-24 _Entry.Original_release_date 2022-01-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Yicong Liu . . . . 51287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 127 51287 '1H chemical shifts' 232 51287 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2022-01-22 update BMRB 'update entry citation' 51287 1 . . 2022-02-02 2022-01-22 original author 'original release' 51287 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51287 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35713792 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments and dynamics of S. cerevisiae SERF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 187 _Citation.Page_last 190 _Citation.Year 2022 _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 Yicong Liu Y. . . . 51287 1 2 Chaozhe Wang C. . . . 51287 1 3 Yangzhuoyue Jin Y. . . . 51287 1 4 Guosheng Jiang G. . . . 51287 1 5 Lichun He L. . . . 51287 1 6 Maili Liu M. . . . 51287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51287 _Assembly.ID 1 _Assembly.Name 'S. cerevisiae SERF sidechain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'S. cerevisiae SERF' 1 $entity_1 . . yes native no no . . . 51287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51287 _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 ; MARGNQRDLARQKNLKKQKD MAKNQKKSGDPKKRMESDAE ILRQKQAAADARREAEKLEK LKAEKTRR ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51287 1 2 . ALA . 51287 1 3 . ARG . 51287 1 4 . GLY . 51287 1 5 . ASN . 51287 1 6 . GLN . 51287 1 7 . ARG . 51287 1 8 . ASP . 51287 1 9 . LEU . 51287 1 10 . ALA . 51287 1 11 . ARG . 51287 1 12 . GLN . 51287 1 13 . LYS . 51287 1 14 . ASN . 51287 1 15 . LEU . 51287 1 16 . LYS . 51287 1 17 . LYS . 51287 1 18 . GLN . 51287 1 19 . LYS . 51287 1 20 . ASP . 51287 1 21 . MET . 51287 1 22 . ALA . 51287 1 23 . LYS . 51287 1 24 . ASN . 51287 1 25 . GLN . 51287 1 26 . LYS . 51287 1 27 . LYS . 51287 1 28 . SER . 51287 1 29 . GLY . 51287 1 30 . ASP . 51287 1 31 . PRO . 51287 1 32 . LYS . 51287 1 33 . LYS . 51287 1 34 . ARG . 51287 1 35 . MET . 51287 1 36 . GLU . 51287 1 37 . SER . 51287 1 38 . ASP . 51287 1 39 . ALA . 51287 1 40 . GLU . 51287 1 41 . ILE . 51287 1 42 . LEU . 51287 1 43 . ARG . 51287 1 44 . GLN . 51287 1 45 . LYS . 51287 1 46 . GLN . 51287 1 47 . ALA . 51287 1 48 . ALA . 51287 1 49 . ALA . 51287 1 50 . ASP . 51287 1 51 . ALA . 51287 1 52 . ARG . 51287 1 53 . ARG . 51287 1 54 . GLU . 51287 1 55 . ALA . 51287 1 56 . GLU . 51287 1 57 . LYS . 51287 1 58 . LEU . 51287 1 59 . GLU . 51287 1 60 . LYS . 51287 1 61 . LEU . 51287 1 62 . LYS . 51287 1 63 . ALA . 51287 1 64 . GLU . 51287 1 65 . LYS . 51287 1 66 . THR . 51287 1 67 . ARG . 51287 1 68 . ARG . 51287 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 . MET 1 1 51287 1 . ALA 2 2 51287 1 . ARG 3 3 51287 1 . GLY 4 4 51287 1 . ASN 5 5 51287 1 . GLN 6 6 51287 1 . ARG 7 7 51287 1 . ASP 8 8 51287 1 . LEU 9 9 51287 1 . ALA 10 10 51287 1 . ARG 11 11 51287 1 . GLN 12 12 51287 1 . LYS 13 13 51287 1 . ASN 14 14 51287 1 . LEU 15 15 51287 1 . LYS 16 16 51287 1 . LYS 17 17 51287 1 . GLN 18 18 51287 1 . LYS 19 19 51287 1 . ASP 20 20 51287 1 . MET 21 21 51287 1 . ALA 22 22 51287 1 . LYS 23 23 51287 1 . ASN 24 24 51287 1 . GLN 25 25 51287 1 . LYS 26 26 51287 1 . LYS 27 27 51287 1 . SER 28 28 51287 1 . GLY 29 29 51287 1 . ASP 30 30 51287 1 . PRO 31 31 51287 1 . LYS 32 32 51287 1 . LYS 33 33 51287 1 . ARG 34 34 51287 1 . MET 35 35 51287 1 . GLU 36 36 51287 1 . SER 37 37 51287 1 . ASP 38 38 51287 1 . ALA 39 39 51287 1 . GLU 40 40 51287 1 . ILE 41 41 51287 1 . LEU 42 42 51287 1 . ARG 43 43 51287 1 . GLN 44 44 51287 1 . LYS 45 45 51287 1 . GLN 46 46 51287 1 . ALA 47 47 51287 1 . ALA 48 48 51287 1 . ALA 49 49 51287 1 . ASP 50 50 51287 1 . ALA 51 51 51287 1 . ARG 52 52 51287 1 . ARG 53 53 51287 1 . GLU 54 54 51287 1 . ALA 55 55 51287 1 . GLU 56 56 51287 1 . LYS 57 57 51287 1 . LEU 58 58 51287 1 . GLU 59 59 51287 1 . LYS 60 60 51287 1 . LEU 61 61 51287 1 . LYS 62 62 51287 1 . ALA 63 63 51287 1 . GLU 64 64 51287 1 . LYS 65 65 51287 1 . THR 66 66 51287 1 . ARG 67 67 51287 1 . ARG 68 68 51287 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 51287 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51287 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 51287 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-21a . . . 51287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51287 _Sample.ID 1 _Sample.Name 'S. cerevisiae SERF' _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uL' _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 'S. cerevisiae SERF' '[U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51287 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51287 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51287 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 51287 _Sample_condition_list.ID 1 _Sample_condition_list.Name buffer _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' 0.07 . M 51287 1 pH 6.5 . pH 51287 1 pressure 1 . atm 51287 1 temperature 298 . K 51287 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51287 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51287 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850MHz Bruker Avance spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 51287 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51287 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51287 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51287 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51287 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51287 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 51287 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chem_shift_Namesidechain assignment' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51287 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51287 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51287 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 51287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'S. cerevisiae SERF_sidechain' _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 2 '2D 1H-13C HSQC' . . . 51287 1 3 '3D CBCA(CO)NH' . . . 51287 1 4 '3D HBHA(CO)NH' . . . 51287 1 5 '3D HCCH-TOCSY' . . . 51287 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 . . 51287 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 MET HB2 H 1 1.97 0.020 . . . . . . . 1 MET HB2 . 51287 1 2 . 1 . 1 1 1 MET HB3 H 1 1.998 0.020 . . . . . . . 1 MET HB3 . 51287 1 3 . 1 . 1 1 1 MET HG2 H 1 2.407 0.020 . . . . . . . 1 MET HG2 . 51287 1 4 . 1 . 1 1 1 MET HG3 H 1 2.427 0.020 . . . . . . . 1 MET HG3 . 51287 1 5 . 1 . 1 1 1 MET CB C 13 31.048 0.300 . . . . . . . 1 MET CB . 51287 1 6 . 1 . 1 1 1 MET CG C 13 31.774 0.300 . . . . . . . 1 MET CG . 51287 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.252 0.020 . . . . . . . 2 ALA HB# . 51287 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.252 0.020 . . . . . . . 2 ALA HB# . 51287 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.252 0.020 . . . . . . . 2 ALA HB# . 51287 1 10 . 1 . 1 2 2 ALA CB C 13 17.109 0.300 . . . . . . . 2 ALA CB . 51287 1 11 . 1 . 1 3 3 ARG HB2 H 1 1.746 0.020 . . . . . . . 3 ARG HB2 . 51287 1 12 . 1 . 1 3 3 ARG HB3 H 1 1.854 0.020 . . . . . . . 3 ARG HB3 . 51287 1 13 . 1 . 1 3 3 ARG HG2 H 1 1.499 0.020 . . . . . . . 3 ARG HG2 . 51287 1 14 . 1 . 1 3 3 ARG HG3 H 1 1.537 0.020 . . . . . . . 3 ARG HG3 . 51287 1 15 . 1 . 1 3 3 ARG HD2 H 1 3.059 0.020 . . . . . . . 3 ARG HD2 . 51287 1 16 . 1 . 1 3 3 ARG HD3 H 1 3.071 0.020 . . . . . . . 3 ARG HD3 . 51287 1 17 . 1 . 1 3 3 ARG CB C 13 28.932 0.300 . . . . . . . 3 ARG CB . 51287 1 18 . 1 . 1 3 3 ARG CG C 13 27.818 0.300 . . . . . . . 3 ARG CG . 51287 1 19 . 1 . 1 3 3 ARG CD C 13 41.52 0.300 . . . . . . . 3 ARG CD . 51287 1 20 . 1 . 1 5 5 ASN CB C 13 37.187 0.300 . . . . . . . 5 ASN CB . 51287 1 21 . 1 . 1 6 6 GLN HB2 H 1 1.924 0.020 . . . . . . . 6 GLN HB2 . 51287 1 22 . 1 . 1 6 6 GLN HB3 H 1 1.974 0.020 . . . . . . . 6 GLN HB3 . 51287 1 23 . 1 . 1 6 6 GLN HG2 H 1 2.155 0.020 . . . . . . . 6 GLN HG2 . 51287 1 24 . 1 . 1 6 6 GLN HG3 H 1 2.249 0.020 . . . . . . . 6 GLN HG3 . 51287 1 25 . 1 . 1 6 6 GLN CB C 13 27.158 0.300 . . . . . . . 6 GLN CB . 51287 1 26 . 1 . 1 6 6 GLN CG C 13 33.516 0.300 . . . . . . . 6 GLN CG . 51287 1 27 . 1 . 1 7 7 ARG CB C 13 28.704 0.300 . . . . . . . 7 ARG CB . 51287 1 28 . 1 . 1 8 8 ASP HB2 H 1 2.57 0.020 . . . . . . . 8 ASP HB2 . 51287 1 29 . 1 . 1 8 8 ASP HB3 H 1 2.618 0.020 . . . . . . . 8 ASP HB3 . 51287 1 30 . 1 . 1 8 8 ASP CB C 13 39.077 0.300 . . . . . . . 8 ASP CB . 51287 1 31 . 1 . 1 9 9 LEU CB C 13 40.257 0.300 . . . . . . . 9 LEU CB . 51287 1 32 . 1 . 1 10 10 ALA HB1 H 1 1.315 0.020 . . . . . . . 10 ALA HB# . 51287 1 33 . 1 . 1 10 10 ALA HB2 H 1 1.315 0.020 . . . . . . . 10 ALA HB# . 51287 1 34 . 1 . 1 10 10 ALA HB3 H 1 1.315 0.020 . . . . . . . 10 ALA HB# . 51287 1 35 . 1 . 1 10 10 ALA CB C 13 16.653 0.300 . . . . . . . 10 ALA CB . 51287 1 36 . 1 . 1 11 11 ARG HB2 H 1 1.692 0.020 . . . . . . . 11 ARG HB2 . 51287 1 37 . 1 . 1 11 11 ARG HB3 H 1 1.75 0.020 . . . . . . . 11 ARG HB3 . 51287 1 38 . 1 . 1 11 11 ARG HG2 H 1 1.504 0.020 . . . . . . . 11 ARG HG2 . 51287 1 39 . 1 . 1 11 11 ARG HG3 H 1 1.562 0.020 . . . . . . . 11 ARG HG3 . 51287 1 40 . 1 . 1 11 11 ARG CB C 13 28.537 0.300 . . . . . . . 11 ARG CB . 51287 1 41 . 1 . 1 11 11 ARG CG C 13 27.45 0.300 . . . . . . . 11 ARG CG . 51287 1 42 . 1 . 1 11 11 ARG CD C 13 41.546 0.300 . . . . . . . 11 ARG CD . 51287 1 43 . 1 . 1 12 12 GLN HB2 H 1 1.937 0.020 . . . . . . . 12 GLN HB2 . 51287 1 44 . 1 . 1 12 12 GLN HB3 H 1 1.965 0.020 . . . . . . . 12 GLN HB3 . 51287 1 45 . 1 . 1 12 12 GLN HG2 H 1 2.245 0.020 . . . . . . . 12 GLN HG2 . 51287 1 46 . 1 . 1 12 12 GLN HG3 H 1 2.267 0.020 . . . . . . . 12 GLN HG3 . 51287 1 47 . 1 . 1 12 12 GLN CB C 13 27.328 0.300 . . . . . . . 12 GLN CB . 51287 1 48 . 1 . 1 12 12 GLN CG C 13 33.422 0.300 . . . . . . . 12 GLN CG . 51287 1 49 . 1 . 1 13 13 LYS CB C 13 30.801 0.300 . . . . . . . 13 LYS CB . 51287 1 50 . 1 . 1 14 14 ASN CB C 13 36.753 0.300 . . . . . . . 14 ASN CB . 51287 1 51 . 1 . 1 15 15 LEU HB2 H 1 1.539 0.020 . . . . . . . 15 LEU HB2 . 51287 1 52 . 1 . 1 15 15 LEU HB3 H 1 1.695 0.020 . . . . . . . 15 LEU HB3 . 51287 1 53 . 1 . 1 15 15 LEU HG H 1 1.5 0.020 . . . . . . . 15 LEU HG . 51287 1 54 . 1 . 1 15 15 LEU HD11 H 1 0.788 0.020 . . . . . . . 15 LEU HD1# . 51287 1 55 . 1 . 1 15 15 LEU HD12 H 1 0.788 0.020 . . . . . . . 15 LEU HD1# . 51287 1 56 . 1 . 1 15 15 LEU HD13 H 1 0.788 0.020 . . . . . . . 15 LEU HD1# . 51287 1 57 . 1 . 1 15 15 LEU HD21 H 1 0.746 0.020 . . . . . . . 15 LEU HD2# . 51287 1 58 . 1 . 1 15 15 LEU HD22 H 1 0.746 0.020 . . . . . . . 15 LEU HD2# . 51287 1 59 . 1 . 1 15 15 LEU HD23 H 1 0.746 0.020 . . . . . . . 15 LEU HD2# . 51287 1 60 . 1 . 1 15 15 LEU CB C 13 40.198 0.300 . . . . . . . 15 LEU CB . 51287 1 61 . 1 . 1 15 15 LEU CG C 13 26.943 0.300 . . . . . . . 15 LEU CG . 51287 1 62 . 1 . 1 15 15 LEU CD1 C 13 22.764 0.300 . . . . . . . 15 LEU CD1 . 51287 1 63 . 1 . 1 15 15 LEU CD2 C 13 21.695 0.300 . . . . . . . 15 LEU CD2 . 51287 1 64 . 1 . 1 16 16 LYS CB C 13 30.849 0.300 . . . . . . . 16 LYS CB . 51287 1 65 . 1 . 1 17 17 LYS HB2 H 1 1.751 0.020 . . . . . . . 17 LYS HB2 . 51287 1 66 . 1 . 1 17 17 LYS HB3 H 1 1.842 0.020 . . . . . . . 17 LYS HB3 . 51287 1 67 . 1 . 1 17 17 LYS HG2 H 1 1.272 0.020 . . . . . . . 17 LYS HG2 . 51287 1 68 . 1 . 1 17 17 LYS HG3 H 1 1.324 0.020 . . . . . . . 17 LYS HG3 . 51287 1 69 . 1 . 1 17 17 LYS HD2 H 1 1.563 0.020 . . . . . . . 17 LYS HD2 . 51287 1 70 . 1 . 1 17 17 LYS HD3 H 1 1.628 0.020 . . . . . . . 17 LYS HD3 . 51287 1 71 . 1 . 1 17 17 LYS HE2 H 1 3.053 0.020 . . . . . . . 17 LYS HE2 . 51287 1 72 . 1 . 1 17 17 LYS HE3 H 1 3.066 0.020 . . . . . . . 17 LYS HE3 . 51287 1 73 . 1 . 1 17 17 LYS CB C 13 30.84 0.300 . . . . . . . 17 LYS CB . 51287 1 74 . 1 . 1 18 18 GLN HB2 H 1 1.97 0.020 . . . . . . . 18 GLN HB2 . 51287 1 75 . 1 . 1 18 18 GLN HB3 H 1 1.992 0.020 . . . . . . . 18 GLN HB3 . 51287 1 76 . 1 . 1 18 18 GLN HG2 H 1 2.228 0.020 . . . . . . . 18 GLN HG2 . 51287 1 77 . 1 . 1 18 18 GLN HG3 H 1 2.26 0.020 . . . . . . . 18 GLN HG3 . 51287 1 78 . 1 . 1 18 18 GLN CB C 13 28.775 0.300 . . . . . . . 18 GLN CB . 51287 1 79 . 1 . 1 18 18 GLN CG C 13 34.41 0.300 . . . . . . . 18 GLN CG . 51287 1 80 . 1 . 1 19 19 LYS HB2 H 1 1.682 0.020 . . . . . . . 19 LYS HB2 . 51287 1 81 . 1 . 1 19 19 LYS HB3 H 1 1.707 0.020 . . . . . . . 19 LYS HB3 . 51287 1 82 . 1 . 1 19 19 LYS HG2 H 1 1.278 0.020 . . . . . . . 19 LYS HG2 . 51287 1 83 . 1 . 1 19 19 LYS HG3 H 1 1.313 0.020 . . . . . . . 19 LYS HG3 . 51287 1 84 . 1 . 1 19 19 LYS HD2 H 1 1.594 0.020 . . . . . . . 19 LYS HD2 . 51287 1 85 . 1 . 1 19 19 LYS HD3 H 1 1.622 0.020 . . . . . . . 19 LYS HD3 . 51287 1 86 . 1 . 1 19 19 LYS HE2 H 1 3.055 0.020 . . . . . . . 19 LYS HE2 . 51287 1 87 . 1 . 1 19 19 LYS HE3 H 1 3.078 0.020 . . . . . . . 19 LYS HE3 . 51287 1 88 . 1 . 1 19 19 LYS CB C 13 30.967 0.300 . . . . . . . 19 LYS CB . 51287 1 89 . 1 . 1 19 19 LYS CG C 13 22.855 0.300 . . . . . . . 19 LYS CG . 51287 1 90 . 1 . 1 19 19 LYS CE C 13 40.101 0.300 . . . . . . . 19 LYS CE . 51287 1 91 . 1 . 1 20 20 ASP CB C 13 39.132 0.300 . . . . . . . 20 ASP CB . 51287 1 92 . 1 . 1 21 21 MET HB2 H 1 1.974 0.020 . . . . . . . 21 MET HB2 . 51287 1 93 . 1 . 1 21 21 MET HB3 H 1 2.014 0.020 . . . . . . . 21 MET HB3 . 51287 1 94 . 1 . 1 21 21 MET HG2 H 1 2.396 0.020 . . . . . . . 21 MET HG2 . 51287 1 95 . 1 . 1 21 21 MET HG3 H 1 2.427 0.020 . . . . . . . 21 MET HG3 . 51287 1 96 . 1 . 1 21 21 MET CB C 13 30.793 0.300 . . . . . . . 21 MET CB . 51287 1 97 . 1 . 1 21 21 MET CG C 13 32.038 0.300 . . . . . . . 21 MET CG . 51287 1 98 . 1 . 1 22 22 ALA HB1 H 1 1.29 0.020 . . . . . . . 22 ALA HB# . 51287 1 99 . 1 . 1 22 22 ALA HB2 H 1 1.29 0.020 . . . . . . . 22 ALA HB# . 51287 1 100 . 1 . 1 22 22 ALA HB3 H 1 1.29 0.020 . . . . . . . 22 ALA HB# . 51287 1 101 . 1 . 1 22 22 ALA CB C 13 16.994 0.300 . . . . . . . 22 ALA CB . 51287 1 102 . 1 . 1 23 23 LYS HB2 H 1 1.689 0.020 . . . . . . . 23 LYS HB2 . 51287 1 103 . 1 . 1 23 23 LYS HB3 H 1 1.727 0.020 . . . . . . . 23 LYS HB3 . 51287 1 104 . 1 . 1 23 23 LYS HG2 H 1 1.28 0.020 . . . . . . . 23 LYS HG2 . 51287 1 105 . 1 . 1 23 23 LYS HG3 H 1 1.313 0.020 . . . . . . . 23 LYS HG3 . 51287 1 106 . 1 . 1 23 23 LYS HD2 H 1 1.575 0.020 . . . . . . . 23 LYS HD2 . 51287 1 107 . 1 . 1 23 23 LYS HD3 H 1 1.624 0.020 . . . . . . . 23 LYS HD3 . 51287 1 108 . 1 . 1 23 23 LYS HE2 H 1 3.052 0.020 . . . . . . . 23 LYS HE2 . 51287 1 109 . 1 . 1 23 23 LYS HE3 H 1 3.076 0.020 . . . . . . . 23 LYS HE3 . 51287 1 110 . 1 . 1 23 23 LYS CB C 13 30.933 0.300 . . . . . . . 23 LYS CB . 51287 1 111 . 1 . 1 23 23 LYS CG C 13 22.959 0.300 . . . . . . . 23 LYS CG . 51287 1 112 . 1 . 1 23 23 LYS CD C 13 28.692 0.300 . . . . . . . 23 LYS CD . 51287 1 113 . 1 . 1 23 23 LYS CE C 13 40.159 0.300 . . . . . . . 23 LYS CE . 51287 1 114 . 1 . 1 24 24 ASN CB C 13 36.848 0.300 . . . . . . . 24 ASN CB . 51287 1 115 . 1 . 1 25 25 GLN HB2 H 1 1.901 0.020 . . . . . . . 25 GLN HB2 . 51287 1 116 . 1 . 1 25 25 GLN HB3 H 1 1.974 0.020 . . . . . . . 25 GLN HB3 . 51287 1 117 . 1 . 1 25 25 GLN HG2 H 1 2.21 0.020 . . . . . . . 25 GLN HG2 . 51287 1 118 . 1 . 1 25 25 GLN HG3 H 1 2.249 0.020 . . . . . . . 25 GLN HG3 . 51287 1 119 . 1 . 1 25 25 GLN CB C 13 27.736 0.300 . . . . . . . 25 GLN CB . 51287 1 120 . 1 . 1 25 25 GLN CG C 13 34.528 0.300 . . . . . . . 25 GLN CG . 51287 1 121 . 1 . 1 26 26 LYS HB2 H 1 1.689 0.020 . . . . . . . 26 LYS HB2 . 51287 1 122 . 1 . 1 26 26 LYS HB3 H 1 1.727 0.020 . . . . . . . 26 LYS HB3 . 51287 1 123 . 1 . 1 26 26 LYS HG2 H 1 1.28 0.020 . . . . . . . 26 LYS HG2 . 51287 1 124 . 1 . 1 26 26 LYS HG3 H 1 1.313 0.020 . . . . . . . 26 LYS HG3 . 51287 1 125 . 1 . 1 26 26 LYS HD2 H 1 1.547 0.020 . . . . . . . 26 LYS HD2 . 51287 1 126 . 1 . 1 26 26 LYS HD3 H 1 1.624 0.020 . . . . . . . 26 LYS HD3 . 51287 1 127 . 1 . 1 26 26 LYS HE2 H 1 3.059 0.020 . . . . . . . 26 LYS HE2 . 51287 1 128 . 1 . 1 26 26 LYS HE3 H 1 3.075 0.020 . . . . . . . 26 LYS HE3 . 51287 1 129 . 1 . 1 26 26 LYS CB C 13 31.029 0.300 . . . . . . . 26 LYS CB . 51287 1 130 . 1 . 1 26 26 LYS CG C 13 24.611 0.300 . . . . . . . 26 LYS CG . 51287 1 131 . 1 . 1 26 26 LYS CD C 13 28.109 0.300 . . . . . . . 26 LYS CD . 51287 1 132 . 1 . 1 26 26 LYS CE C 13 40.062 0.300 . . . . . . . 26 LYS CE . 51287 1 133 . 1 . 1 27 27 LYS HB2 H 1 1.694 0.020 . . . . . . . 27 LYS HB2 . 51287 1 134 . 1 . 1 27 27 LYS HB3 H 1 1.729 0.020 . . . . . . . 27 LYS HB3 . 51287 1 135 . 1 . 1 27 27 LYS HG2 H 1 1.291 0.020 . . . . . . . 27 LYS HG2 . 51287 1 136 . 1 . 1 27 27 LYS HG3 H 1 1.312 0.020 . . . . . . . 27 LYS HG3 . 51287 1 137 . 1 . 1 27 27 LYS HD2 H 1 1.617 0.020 . . . . . . . 27 LYS HD2 . 51287 1 138 . 1 . 1 27 27 LYS HD3 H 1 1.645 0.020 . . . . . . . 27 LYS HD3 . 51287 1 139 . 1 . 1 27 27 LYS HE2 H 1 3.055 0.020 . . . . . . . 27 LYS HE2 . 51287 1 140 . 1 . 1 27 27 LYS HE3 H 1 3.075 0.020 . . . . . . . 27 LYS HE3 . 51287 1 141 . 1 . 1 27 27 LYS CB C 13 31.101 0.300 . . . . . . . 27 LYS CB . 51287 1 142 . 1 . 1 27 27 LYS CD C 13 27.670 0.300 . . . . . . . 27 LYS CD . 51287 1 143 . 1 . 1 27 27 LYS CE C 13 41.567 0.300 . . . . . . . 27 LYS CE . 51287 1 144 . 1 . 1 28 28 SER CB C 13 62.485 0.300 . . . . . . . 28 SER CB . 51287 1 145 . 1 . 1 30 30 ASP CB C 13 39.601 0.300 . . . . . . . 30 ASP CB . 51287 1 146 . 1 . 1 32 32 LYS HB2 H 1 1.714 0.020 . . . . . . . 32 LYS HB2 . 51287 1 147 . 1 . 1 32 32 LYS HB3 H 1 1.767 0.020 . . . . . . . 32 LYS HB3 . 51287 1 148 . 1 . 1 32 32 LYS HG2 H 1 1.273 0.020 . . . . . . . 32 LYS HG2 . 51287 1 149 . 1 . 1 32 32 LYS HG3 H 1 1.309 0.020 . . . . . . . 32 LYS HG3 . 51287 1 150 . 1 . 1 32 32 LYS HD2 H 1 1.581 0.020 . . . . . . . 32 LYS HD2 . 51287 1 151 . 1 . 1 32 32 LYS HD3 H 1 1.622 0.020 . . . . . . . 32 LYS HD3 . 51287 1 152 . 1 . 1 32 32 LYS HE2 H 1 3.055 0.020 . . . . . . . 32 LYS HE2 . 51287 1 153 . 1 . 1 32 32 LYS HE3 H 1 3.076 0.020 . . . . . . . 32 LYS HE3 . 51287 1 154 . 1 . 1 32 32 LYS CB C 13 30.57 0.300 . . . . . . . 32 LYS CB . 51287 1 155 . 1 . 1 32 32 LYS CG C 13 23.168 0.300 . . . . . . . 32 LYS CG . 51287 1 156 . 1 . 1 32 32 LYS CD C 13 27.395 0.300 . . . . . . . 32 LYS CD . 51287 1 157 . 1 . 1 32 32 LYS CE C 13 41.431 0.300 . . . . . . . 32 LYS CE . 51287 1 158 . 1 . 1 33 33 LYS HB2 H 1 1.704 0.020 . . . . . . . 33 LYS HB2 . 51287 1 159 . 1 . 1 33 33 LYS HB3 H 1 1.747 0.020 . . . . . . . 33 LYS HB3 . 51287 1 160 . 1 . 1 33 33 LYS HG2 H 1 1.274 0.020 . . . . . . . 33 LYS HG2 . 51287 1 161 . 1 . 1 33 33 LYS HG3 H 1 1.323 0.020 . . . . . . . 33 LYS HG3 . 51287 1 162 . 1 . 1 33 33 LYS HD2 H 1 1.59 0.020 . . . . . . . 33 LYS HD2 . 51287 1 163 . 1 . 1 33 33 LYS HD3 H 1 1.622 0.020 . . . . . . . 33 LYS HD3 . 51287 1 164 . 1 . 1 33 33 LYS HE2 H 1 3.054 0.020 . . . . . . . 33 LYS HE2 . 51287 1 165 . 1 . 1 33 33 LYS HE3 H 1 3.076 0.020 . . . . . . . 33 LYS HE3 . 51287 1 166 . 1 . 1 33 33 LYS CB C 13 30.967 0.300 . . . . . . . 33 LYS CB . 51287 1 167 . 1 . 1 33 33 LYS CG C 13 22.864 0.300 . . . . . . . 33 LYS CG . 51287 1 168 . 1 . 1 33 33 LYS CD C 13 28.663 0.300 . . . . . . . 33 LYS CD . 51287 1 169 . 1 . 1 33 33 LYS CE C 13 41.525 0.300 . . . . . . . 33 LYS CE . 51287 1 170 . 1 . 1 34 34 ARG HB2 H 1 1.748 0.020 . . . . . . . 34 ARG HB2 . 51287 1 171 . 1 . 1 34 34 ARG HB3 H 1 1.85 0.020 . . . . . . . 34 ARG HB3 . 51287 1 172 . 1 . 1 34 34 ARG HG2 H 1 1.472 0.020 . . . . . . . 34 ARG HG2 . 51287 1 173 . 1 . 1 34 34 ARG HG3 H 1 1.508 0.020 . . . . . . . 34 ARG HG3 . 51287 1 174 . 1 . 1 34 34 ARG HD2 H 1 3.057 0.020 . . . . . . . 34 ARG HD2 . 51287 1 175 . 1 . 1 34 34 ARG HD3 H 1 3.078 0.020 . . . . . . . 34 ARG HD3 . 51287 1 176 . 1 . 1 34 34 ARG CB C 13 28.795 0.300 . . . . . . . 34 ARG CB . 51287 1 177 . 1 . 1 34 34 ARG CG C 13 27.429 0.300 . . . . . . . 34 ARG CG . 51287 1 178 . 1 . 1 34 34 ARG CD C 13 41.52 0.300 . . . . . . . 34 ARG CD . 51287 1 179 . 1 . 1 35 35 MET HB2 H 1 1.958 0.020 . . . . . . . 35 MET HB2 . 51287 1 180 . 1 . 1 35 35 MET HB3 H 1 1.986 0.020 . . . . . . . 35 MET HB3 . 51287 1 181 . 1 . 1 35 35 MET HG2 H 1 2.411 0.020 . . . . . . . 35 MET HG2 . 51287 1 182 . 1 . 1 35 35 MET HG3 H 1 2.487 0.020 . . . . . . . 35 MET HG3 . 51287 1 183 . 1 . 1 35 35 MET CB C 13 30.832 0.300 . . . . . . . 35 MET CB . 51287 1 184 . 1 . 1 35 35 MET CG C 13 31.591 0.300 . . . . . . . 35 MET CG . 51287 1 185 . 1 . 1 36 36 GLU HB2 H 1 1.924 0.020 . . . . . . . 36 GLU HB2 . 51287 1 186 . 1 . 1 36 36 GLU HB3 H 1 1.965 0.020 . . . . . . . 36 GLU HB3 . 51287 1 187 . 1 . 1 36 36 GLU HG2 H 1 2.235 0.020 . . . . . . . 36 GLU HG2 . 51287 1 188 . 1 . 1 36 36 GLU HG3 H 1 2.259 0.020 . . . . . . . 36 GLU HG3 . 51287 1 189 . 1 . 1 36 36 GLU CB C 13 28.419 0.300 . . . . . . . 36 GLU CB . 51287 1 190 . 1 . 1 36 36 GLU CG C 13 34.538 0.300 . . . . . . . 36 GLU CG . 51287 1 191 . 1 . 1 37 37 SER CB C 13 62.497 0.300 . . . . . . . 37 SER CB . 51287 1 192 . 1 . 1 38 38 ASP HB2 H 1 2.562 0.020 . . . . . . . 38 ASP HB2 . 51287 1 193 . 1 . 1 38 38 ASP HB3 H 1 2.61 0.020 . . . . . . . 38 ASP HB3 . 51287 1 194 . 1 . 1 38 38 ASP CB C 13 38.674 0.300 . . . . . . . 38 ASP CB . 51287 1 195 . 1 . 1 39 39 ALA HB1 H 1 1.391 0.020 . . . . . . . 39 ALA HB# . 51287 1 196 . 1 . 1 39 39 ALA HB2 H 1 1.391 0.020 . . . . . . . 39 ALA HB# . 51287 1 197 . 1 . 1 39 39 ALA HB3 H 1 1.391 0.020 . . . . . . . 39 ALA HB# . 51287 1 198 . 1 . 1 39 39 ALA CB C 13 16.592 0.300 . . . . . . . 39 ALA CB . 51287 1 199 . 1 . 1 40 40 GLU HB2 H 1 2.046 0.020 . . . . . . . 40 GLU HB2 . 51287 1 200 . 1 . 1 40 40 GLU HB3 H 1 2.066 0.020 . . . . . . . 40 GLU HB3 . 51287 1 201 . 1 . 1 40 40 GLU HG2 H 1 2.221 0.020 . . . . . . . 40 GLU HG2 . 51287 1 202 . 1 . 1 40 40 GLU HG3 H 1 2.276 0.020 . . . . . . . 40 GLU HG3 . 51287 1 203 . 1 . 1 40 40 GLU CB C 13 27.457 0.300 . . . . . . . 40 GLU CB . 51287 1 204 . 1 . 1 40 40 GLU CG C 13 34.329 0.300 . . . . . . . 40 GLU CG . 51287 1 205 . 1 . 1 41 41 ILE HB H 1 1.869 0.020 . . . . . . . 41 ILE HB . 51287 1 206 . 1 . 1 41 41 ILE HG12 H 1 1.095 0.020 . . . . . . . 41 ILE HG12 . 51287 1 207 . 1 . 1 41 41 ILE HG13 H 1 1.49 0.020 . . . . . . . 41 ILE HG13 . 51287 1 208 . 1 . 1 41 41 ILE CB C 13 35.884 0.300 . . . . . . . 41 ILE CB . 51287 1 209 . 1 . 1 41 41 ILE CG1 C 13 26.716 0.300 . . . . . . . 41 ILE CG1 . 51287 1 210 . 1 . 1 41 41 ILE CG2 C 13 16.717 0.300 . . . . . . . 41 ILE CG2 . 51287 1 211 . 1 . 1 42 42 LEU HB2 H 1 1.604 0.020 . . . . . . . 42 LEU HB2 . 51287 1 212 . 1 . 1 42 42 LEU HB3 H 1 1.679 0.020 . . . . . . . 42 LEU HB3 . 51287 1 213 . 1 . 1 42 42 LEU HG H 1 1.512 0.020 . . . . . . . 42 LEU HG . 51287 1 214 . 1 . 1 42 42 LEU HD11 H 1 0.788 0.020 . . . . . . . 42 LEU HD1# . 51287 1 215 . 1 . 1 42 42 LEU HD12 H 1 0.788 0.020 . . . . . . . 42 LEU HD1# . 51287 1 216 . 1 . 1 42 42 LEU HD13 H 1 0.788 0.020 . . . . . . . 42 LEU HD1# . 51287 1 217 . 1 . 1 42 42 LEU HD21 H 1 0.754 0.020 . . . . . . . 42 LEU HD2# . 51287 1 218 . 1 . 1 42 42 LEU HD22 H 1 0.754 0.020 . . . . . . . 42 LEU HD2# . 51287 1 219 . 1 . 1 42 42 LEU HD23 H 1 0.754 0.020 . . . . . . . 42 LEU HD2# . 51287 1 220 . 1 . 1 42 42 LEU CB C 13 39.915 0.300 . . . . . . . 42 LEU CB . 51287 1 221 . 1 . 1 42 42 LEU CG C 13 25.329 0.300 . . . . . . . 42 LEU CG . 51287 1 222 . 1 . 1 42 42 LEU CD1 C 13 22.669 0.300 . . . . . . . 42 LEU CD1 . 51287 1 223 . 1 . 1 42 42 LEU CD2 C 13 21.697 0.300 . . . . . . . 42 LEU CD2 . 51287 1 224 . 1 . 1 43 43 ARG HB2 H 1 1.765 0.020 . . . . . . . 43 ARG HB2 . 51287 1 225 . 1 . 1 43 43 ARG HB3 H 1 1.835 0.020 . . . . . . . 43 ARG HB3 . 51287 1 226 . 1 . 1 43 43 ARG HG2 H 1 1.492 0.020 . . . . . . . 43 ARG HG2 . 51287 1 227 . 1 . 1 43 43 ARG HG3 H 1 1.518 0.020 . . . . . . . 43 ARG HG3 . 51287 1 228 . 1 . 1 43 43 ARG HD2 H 1 3.128 0.020 . . . . . . . 43 ARG HD2 . 51287 1 229 . 1 . 1 43 43 ARG HD3 H 1 3.147 0.020 . . . . . . . 43 ARG HD3 . 51287 1 230 . 1 . 1 43 43 ARG CB C 13 30.82 0.300 . . . . . . . 43 ARG CB . 51287 1 231 . 1 . 1 43 43 ARG CG C 13 27.515 0.300 . . . . . . . 43 ARG CG . 51287 1 232 . 1 . 1 43 43 ARG CD C 13 41.083 0.300 . . . . . . . 43 ARG CD . 51287 1 233 . 1 . 1 44 44 GLN HB2 H 1 1.901 0.020 . . . . . . . 44 GLN HB2 . 51287 1 234 . 1 . 1 44 44 GLN HB3 H 1 1.94 0.020 . . . . . . . 44 GLN HB3 . 51287 1 235 . 1 . 1 44 44 GLN HG2 H 1 2.278 0.020 . . . . . . . 44 GLN HG2 . 51287 1 236 . 1 . 1 44 44 GLN HG3 H 1 2.397 0.020 . . . . . . . 44 GLN HG3 . 51287 1 237 . 1 . 1 44 44 GLN CB C 13 26.438 0.300 . . . . . . . 44 GLN CB . 51287 1 238 . 1 . 1 44 44 GLN CG C 13 33.839 0.300 . . . . . . . 44 GLN CG . 51287 1 239 . 1 . 1 45 45 LYS HB2 H 1 1.796 0.020 . . . . . . . 45 LYS HB2 . 51287 1 240 . 1 . 1 45 45 LYS HB3 H 1 1.851 0.020 . . . . . . . 45 LYS HB3 . 51287 1 241 . 1 . 1 45 45 LYS HG2 H 1 1.492 0.020 . . . . . . . 45 LYS HG2 . 51287 1 242 . 1 . 1 45 45 LYS HG3 H 1 1.524 0.020 . . . . . . . 45 LYS HG3 . 51287 1 243 . 1 . 1 45 45 LYS HD2 H 1 1.617 0.020 . . . . . . . 45 LYS HD2 . 51287 1 244 . 1 . 1 45 45 LYS HD3 H 1 1.65 0.020 . . . . . . . 45 LYS HD3 . 51287 1 245 . 1 . 1 45 45 LYS HE2 H 1 3.135 0.020 . . . . . . . 45 LYS HE2 . 51287 1 246 . 1 . 1 45 45 LYS HE3 H 1 3.165 0.020 . . . . . . . 45 LYS HE3 . 51287 1 247 . 1 . 1 45 45 LYS CB C 13 30.76 0.300 . . . . . . . 45 LYS CB . 51287 1 248 . 1 . 1 45 45 LYS CG C 13 22.954 0.300 . . . . . . . 45 LYS CG . 51287 1 249 . 1 . 1 45 45 LYS CD C 13 27.409 0.300 . . . . . . . 45 LYS CD . 51287 1 250 . 1 . 1 45 45 LYS CE C 13 41.567 0.300 . . . . . . . 45 LYS CE . 51287 1 251 . 1 . 1 46 46 GLN HB2 H 1 2.006 0.020 . . . . . . . 46 GLN HB2 . 51287 1 252 . 1 . 1 46 46 GLN HB3 H 1 2.062 0.020 . . . . . . . 46 GLN HB3 . 51287 1 253 . 1 . 1 46 46 GLN HG2 H 1 2.276 0.020 . . . . . . . 46 GLN HG2 . 51287 1 254 . 1 . 1 46 46 GLN HG3 H 1 2.332 0.020 . . . . . . . 46 GLN HG3 . 51287 1 255 . 1 . 1 46 46 GLN CB C 13 26.482 0.300 . . . . . . . 46 GLN CB . 51287 1 256 . 1 . 1 46 46 GLN CG C 13 33.951 0.300 . . . . . . . 46 GLN CG . 51287 1 257 . 1 . 1 47 47 ALA HB1 H 1 1.387 0.020 . . . . . . . 47 ALA HB# . 51287 1 258 . 1 . 1 47 47 ALA HB2 H 1 1.387 0.020 . . . . . . . 47 ALA HB# . 51287 1 259 . 1 . 1 47 47 ALA HB3 H 1 1.387 0.020 . . . . . . . 47 ALA HB# . 51287 1 260 . 1 . 1 47 47 ALA CB C 13 16.028 0.300 . . . . . . . 47 ALA CB . 51287 1 261 . 1 . 1 48 48 ALA HB1 H 1 1.38 0.020 . . . . . . . 48 ALA HB# . 51287 1 262 . 1 . 1 48 48 ALA HB2 H 1 1.38 0.020 . . . . . . . 48 ALA HB# . 51287 1 263 . 1 . 1 48 48 ALA HB3 H 1 1.38 0.020 . . . . . . . 48 ALA HB# . 51287 1 264 . 1 . 1 48 48 ALA CB C 13 16.141 0.300 . . . . . . . 48 ALA CB . 51287 1 265 . 1 . 1 49 49 ALA HB1 H 1 1.391 0.020 . . . . . . . 49 ALA HB# . 51287 1 266 . 1 . 1 49 49 ALA HB2 H 1 1.391 0.020 . . . . . . . 49 ALA HB# . 51287 1 267 . 1 . 1 49 49 ALA HB3 H 1 1.391 0.020 . . . . . . . 49 ALA HB# . 51287 1 268 . 1 . 1 49 49 ALA CB C 13 16.15 0.300 . . . . . . . 49 ALA CB . 51287 1 269 . 1 . 1 50 50 ASP HB2 H 1 2.562 0.020 . . . . . . . 50 ASP HB2 . 51287 1 270 . 1 . 1 50 50 ASP HB3 H 1 2.614 0.020 . . . . . . . 50 ASP HB3 . 51287 1 271 . 1 . 1 50 50 ASP CB C 13 38.39 0.300 . . . . . . . 50 ASP CB . 51287 1 272 . 1 . 1 51 51 ALA CB C 13 16.352 0.300 . . . . . . . 51 ALA CB . 51287 1 273 . 1 . 1 52 52 ARG CB C 13 28.15 0.300 . . . . . . . 52 ARG CB . 51287 1 274 . 1 . 1 53 53 ARG HB2 H 1 1.765 0.020 . . . . . . . 53 ARG HB2 . 51287 1 275 . 1 . 1 53 53 ARG HB3 H 1 1.822 0.020 . . . . . . . 53 ARG HB3 . 51287 1 276 . 1 . 1 53 53 ARG HG2 H 1 1.492 0.020 . . . . . . . 53 ARG HG2 . 51287 1 277 . 1 . 1 53 53 ARG HG3 H 1 1.524 0.020 . . . . . . . 53 ARG HG3 . 51287 1 278 . 1 . 1 53 53 ARG HD2 H 1 3.103 0.020 . . . . . . . 53 ARG HD2 . 51287 1 279 . 1 . 1 53 53 ARG HD3 H 1 3.141 0.020 . . . . . . . 53 ARG HD3 . 51287 1 280 . 1 . 1 53 53 ARG CB C 13 28.271 0.300 . . . . . . . 53 ARG CB . 51287 1 281 . 1 . 1 53 53 ARG CG C 13 27.167 0.300 . . . . . . . 53 ARG CG . 51287 1 282 . 1 . 1 53 53 ARG CD C 13 41.778 0.300 . . . . . . . 53 ARG CD . 51287 1 283 . 1 . 1 54 54 GLU HB2 H 1 2.013 0.020 . . . . . . . 54 GLU HB2 . 51287 1 284 . 1 . 1 54 54 GLU HB3 H 1 2.069 0.020 . . . . . . . 54 GLU HB3 . 51287 1 285 . 1 . 1 54 54 GLU HG2 H 1 2.46 0.020 . . . . . . . 54 GLU HG2 . 51287 1 286 . 1 . 1 54 54 GLU HG3 H 1 2.482 0.020 . . . . . . . 54 GLU HG3 . 51287 1 287 . 1 . 1 54 54 GLU CB C 13 27.344 0.300 . . . . . . . 54 GLU CB . 51287 1 288 . 1 . 1 54 54 GLU CG C 13 34.132 0.300 . . . . . . . 54 GLU CG . 51287 1 289 . 1 . 1 55 55 ALA HB1 H 1 1.403 0.020 . . . . . . . 55 ALA HB# . 51287 1 290 . 1 . 1 55 55 ALA HB2 H 1 1.403 0.020 . . . . . . . 55 ALA HB# . 51287 1 291 . 1 . 1 55 55 ALA HB3 H 1 1.403 0.020 . . . . . . . 55 ALA HB# . 51287 1 292 . 1 . 1 55 55 ALA CB C 13 16.161 0.300 . . . . . . . 55 ALA CB . 51287 1 293 . 1 . 1 56 56 GLU HB2 H 1 2.013 0.020 . . . . . . . 56 GLU HB2 . 51287 1 294 . 1 . 1 56 56 GLU HB3 H 1 2.066 0.020 . . . . . . . 56 GLU HB3 . 51287 1 295 . 1 . 1 56 56 GLU HG2 H 1 2.463 0.020 . . . . . . . 56 GLU HG2 . 51287 1 296 . 1 . 1 56 56 GLU HG3 H 1 2.486 0.020 . . . . . . . 56 GLU HG3 . 51287 1 297 . 1 . 1 56 56 GLU CB C 13 27.634 0.300 . . . . . . . 56 GLU CB . 51287 1 298 . 1 . 1 56 56 GLU CG C 13 34.814 0.300 . . . . . . . 56 GLU CG . 51287 1 299 . 1 . 1 57 57 LYS HB2 H 1 1.803 0.020 . . . . . . . 57 LYS HB2 . 51287 1 300 . 1 . 1 57 57 LYS HB3 H 1 1.841 0.020 . . . . . . . 57 LYS HB3 . 51287 1 301 . 1 . 1 57 57 LYS HG2 H 1 1.306 0.020 . . . . . . . 57 LYS HG2 . 51287 1 302 . 1 . 1 57 57 LYS HG3 H 1 1.326 0.020 . . . . . . . 57 LYS HG3 . 51287 1 303 . 1 . 1 57 57 LYS HD2 H 1 1.492 0.020 . . . . . . . 57 LYS HD2 . 51287 1 304 . 1 . 1 57 57 LYS HD3 H 1 1.53 0.020 . . . . . . . 57 LYS HD3 . 51287 1 305 . 1 . 1 57 57 LYS HE2 H 1 3.134 0.020 . . . . . . . 57 LYS HE2 . 51287 1 306 . 1 . 1 57 57 LYS HE3 H 1 3.147 0.020 . . . . . . . 57 LYS HE3 . 51287 1 307 . 1 . 1 57 57 LYS CB C 13 30.53 0.300 . . . . . . . 57 LYS CB . 51287 1 308 . 1 . 1 57 57 LYS CG C 13 23.843 0.300 . . . . . . . 57 LYS CG . 51287 1 309 . 1 . 1 57 57 LYS CD C 13 29.12 0.300 . . . . . . . 57 LYS CD . 51287 1 310 . 1 . 1 57 57 LYS CE C 13 40.193 0.300 . . . . . . . 57 LYS CE . 51287 1 311 . 1 . 1 58 58 LEU HB2 H 1 1.642 0.020 . . . . . . . 58 LEU HB2 . 51287 1 312 . 1 . 1 58 58 LEU HB3 H 1 1.665 0.020 . . . . . . . 58 LEU HB3 . 51287 1 313 . 1 . 1 58 58 LEU HG H 1 1.506 0.020 . . . . . . . 58 LEU HG . 51287 1 314 . 1 . 1 58 58 LEU HD11 H 1 0.78 0.020 . . . . . . . 58 LEU HD1# . 51287 1 315 . 1 . 1 58 58 LEU HD12 H 1 0.78 0.020 . . . . . . . 58 LEU HD1# . 51287 1 316 . 1 . 1 58 58 LEU HD13 H 1 0.78 0.020 . . . . . . . 58 LEU HD1# . 51287 1 317 . 1 . 1 58 58 LEU HD21 H 1 0.748 0.020 . . . . . . . 58 LEU HD2# . 51287 1 318 . 1 . 1 58 58 LEU HD22 H 1 0.748 0.020 . . . . . . . 58 LEU HD2# . 51287 1 319 . 1 . 1 58 58 LEU HD23 H 1 0.748 0.020 . . . . . . . 58 LEU HD2# . 51287 1 320 . 1 . 1 58 58 LEU CB C 13 39.775 0.300 . . . . . . . 58 LEU CB . 51287 1 321 . 1 . 1 58 58 LEU CG C 13 25.388 0.300 . . . . . . . 58 LEU CG . 51287 1 322 . 1 . 1 58 58 LEU CD1 C 13 22.376 0.300 . . . . . . . 58 LEU CD1 . 51287 1 323 . 1 . 1 58 58 LEU CD2 C 13 21.793 0.300 . . . . . . . 58 LEU CD2 . 51287 1 324 . 1 . 1 59 59 GLU HB2 H 1 1.954 0.020 . . . . . . . 59 GLU HB2 . 51287 1 325 . 1 . 1 59 59 GLU HB3 H 1 2.014 0.020 . . . . . . . 59 GLU HB3 . 51287 1 326 . 1 . 1 59 59 GLU HG2 H 1 2.464 0.020 . . . . . . . 59 GLU HG2 . 51287 1 327 . 1 . 1 59 59 GLU HG3 H 1 2.486 0.020 . . . . . . . 59 GLU HG3 . 51287 1 328 . 1 . 1 59 59 GLU CB C 13 27.614 0.300 . . . . . . . 59 GLU CB . 51287 1 329 . 1 . 1 59 59 GLU CG C 13 36.086 0.300 . . . . . . . 59 GLU CG . 51287 1 330 . 1 . 1 60 60 LYS CB C 13 30.428 0.300 . . . . . . . 60 LYS CB . 51287 1 331 . 1 . 1 61 61 LEU CB C 13 40.001 0.300 . . . . . . . 61 LEU CB . 51287 1 332 . 1 . 1 62 62 LYS CB C 13 30.668 0.300 . . . . . . . 62 LYS CB . 51287 1 333 . 1 . 1 63 63 ALA HB1 H 1 1.34 0.020 . . . . . . . 63 ALA HB# . 51287 1 334 . 1 . 1 63 63 ALA HB2 H 1 1.34 0.020 . . . . . . . 63 ALA HB# . 51287 1 335 . 1 . 1 63 63 ALA HB3 H 1 1.34 0.020 . . . . . . . 63 ALA HB# . 51287 1 336 . 1 . 1 63 63 ALA CB C 13 16.189 0.300 . . . . . . . 63 ALA CB . 51287 1 337 . 1 . 1 64 64 GLU CB C 13 27.63 0.300 . . . . . . . 64 GLU CB . 51287 1 338 . 1 . 1 65 65 LYS HB2 H 1 1.803 0.020 . . . . . . . 65 LYS HB2 . 51287 1 339 . 1 . 1 65 65 LYS HB3 H 1 1.827 0.020 . . . . . . . 65 LYS HB3 . 51287 1 340 . 1 . 1 65 65 LYS HG2 H 1 1.309 0.020 . . . . . . . 65 LYS HG2 . 51287 1 341 . 1 . 1 65 65 LYS HG3 H 1 1.324 0.020 . . . . . . . 65 LYS HG3 . 51287 1 342 . 1 . 1 65 65 LYS HD2 H 1 1.496 0.020 . . . . . . . 65 LYS HD2 . 51287 1 343 . 1 . 1 65 65 LYS HD3 H 1 1.515 0.020 . . . . . . . 65 LYS HD3 . 51287 1 344 . 1 . 1 65 65 LYS HE2 H 1 3.107 0.020 . . . . . . . 65 LYS HE2 . 51287 1 345 . 1 . 1 65 65 LYS HE3 H 1 3.141 0.020 . . . . . . . 65 LYS HE3 . 51287 1 346 . 1 . 1 65 65 LYS CB C 13 30.529 0.300 . . . . . . . 65 LYS CB . 51287 1 347 . 1 . 1 65 65 LYS CG C 13 22.868 0.300 . . . . . . . 65 LYS CG . 51287 1 348 . 1 . 1 65 65 LYS CD C 13 28.859 0.300 . . . . . . . 65 LYS CD . 51287 1 349 . 1 . 1 65 65 LYS CE C 13 41.546 0.300 . . . . . . . 65 LYS CE . 51287 1 350 . 1 . 1 66 66 THR HB H 1 4.087 0.020 . . . . . . . 66 THR HB . 51287 1 351 . 1 . 1 66 66 THR CB C 13 67.977 0.300 . . . . . . . 66 THR CB . 51287 1 352 . 1 . 1 67 67 ARG HB2 H 1 1.721 0.020 . . . . . . . 67 ARG HB2 . 51287 1 353 . 1 . 1 67 67 ARG HB3 H 1 1.781 0.020 . . . . . . . 67 ARG HB3 . 51287 1 354 . 1 . 1 67 67 ARG HG2 H 1 1.529 0.020 . . . . . . . 67 ARG HG2 . 51287 1 355 . 1 . 1 67 67 ARG HG3 H 1 1.562 0.020 . . . . . . . 67 ARG HG3 . 51287 1 356 . 1 . 1 67 67 ARG CB C 13 28.382 0.300 . . . . . . . 67 ARG CB . 51287 1 357 . 1 . 1 67 67 ARG CG C 13 27.332 0.300 . . . . . . . 67 ARG CG . 51287 1 358 . 1 . 1 67 67 ARG CD C 13 41.52 0.300 . . . . . . . 67 ARG CD . 51287 1 359 . 1 . 1 68 68 ARG CB C 13 28.559 0.300 . . . . . . . 68 ARG CB . 51287 1 stop_ save_