data_34806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34806 _Entry.Title ; Solution NMR structure of Notch1 L1740-1743 TMD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-17 _Entry.Accession_date 2023-04-17 _Entry.Last_release_date 2023-05-11 _Entry.Original_release_date 2023-05-11 _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 NMR' _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 N. Guschtschin-Schmidt N. . . . 34806 2 C. Muhle-Goll C. . . . 34806 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34806 'Notch1 L1740-1743' . 34806 'gamma secretase' . 34806 transmembrane . 34806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 112 34806 '15N chemical shifts' 29 34806 '1H chemical shifts' 219 34806 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 . . 2023-09-01 2023-04-17 update BMRB 'update entry citation' 34806 1 . . 2023-08-09 2023-04-17 original author 'original release' 34806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8ORY 'BMRB Entry Tracking System' 34806 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34806 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37536392 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 435 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 168218 _Citation.Page_last 168218 _Citation.Year 2023 _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 M. Ortner M. . . . 34806 1 2 N. Guschtschin-Schmidt N. . . . 34806 1 3 W. Stelzer W. . . . 34806 1 4 C. Muhle-Goll C. . . . 34806 1 5 D. Langosch D. . . . 34806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34806 _Assembly.ID 1 _Assembly.Name 'Notch 1 extracellular truncation' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 unit_1 1 $entity_1 A A yes . . . . . . 34806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34806 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKKLHFMYVLLLLFVLLFFV GCGVLLSKKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'A1740L, A1741L, A1742L, A1743L' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3533.573 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NEXT common 34806 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 1731 LYS . 34806 1 2 1732 LYS . 34806 1 3 1733 LYS . 34806 1 4 1734 LEU . 34806 1 5 1735 HIS . 34806 1 6 1736 PHE . 34806 1 7 1737 MET . 34806 1 8 1738 TYR . 34806 1 9 1739 VAL . 34806 1 10 1740 LEU . 34806 1 11 1741 LEU . 34806 1 12 1742 LEU . 34806 1 13 1743 LEU . 34806 1 14 1744 PHE . 34806 1 15 1745 VAL . 34806 1 16 1746 LEU . 34806 1 17 1747 LEU . 34806 1 18 1748 PHE . 34806 1 19 1749 PHE . 34806 1 20 1750 VAL . 34806 1 21 1751 GLY . 34806 1 22 1752 CYS . 34806 1 23 1753 GLY . 34806 1 24 1754 VAL . 34806 1 25 1755 LEU . 34806 1 26 1756 LEU . 34806 1 27 1757 SER . 34806 1 28 1758 LYS . 34806 1 29 1759 LYS . 34806 1 30 1760 LYS . 34806 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 . LYS 1 1 34806 1 . LYS 2 2 34806 1 . LYS 3 3 34806 1 . LEU 4 4 34806 1 . HIS 5 5 34806 1 . PHE 6 6 34806 1 . MET 7 7 34806 1 . TYR 8 8 34806 1 . VAL 9 9 34806 1 . LEU 10 10 34806 1 . LEU 11 11 34806 1 . LEU 12 12 34806 1 . LEU 13 13 34806 1 . PHE 14 14 34806 1 . VAL 15 15 34806 1 . LEU 16 16 34806 1 . LEU 17 17 34806 1 . PHE 18 18 34806 1 . PHE 19 19 34806 1 . VAL 20 20 34806 1 . GLY 21 21 34806 1 . CYS 22 22 34806 1 . GLY 23 23 34806 1 . VAL 24 24 34806 1 . LEU 25 25 34806 1 . LEU 26 26 34806 1 . SER 27 27 34806 1 . LYS 28 28 34806 1 . LYS 29 29 34806 1 . LYS 30 30 34806 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34806 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34806 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34806 _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' . . . . . . . . . . . . . . . . 34806 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34806 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM Notch1 L1740-1743 TMD, trifluoroethanol/water 80/20' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'trifluoroethanol/water 80/20' _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 'Notch1 L1740-1743 TMD' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34806 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 34806 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.5 . pH 34806 1 pressure 1 . bar 34806 1 temperature 300 . K 34806 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34806 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34806 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34806 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34806 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34806 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34806 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34806 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED.' . . 34806 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34806 3 'peak picking' . 34806 3 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 34806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34806 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34806 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34806 _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-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34806 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34806 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34806 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34806 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 34806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TFE 'methylene carbons' . . . . ppm 61.5 internal direct 1 . . . . . 34806 1 H 1 TFE 'methylene protons' . . . . ppm 3.88 internal direct 1 . . . . . 34806 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 34806 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34806 1 2 '2D 1H-1H TOCSY' . . . 34806 1 3 '2D 1H-13C HSQC' . . . 34806 1 4 '2D 1H-15N HSQC' . . . 34806 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 LYS H H 1 8.197 . . . . . . . A 1731 LYS H1 . 34806 1 2 . 1 . 1 1 1 LYS HA H 1 4.148 . . . . . . . A 1731 LYS HA . 34806 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.840 . . . . . . . A 1731 LYS HB2 . 34806 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.571 . . . . . . . A 1731 LYS HG2 . 34806 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.477 . . . . . . . A 1731 LYS HG3 . 34806 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.750 . . . . . . . A 1731 LYS HD2 . 34806 1 7 . 1 . 1 1 1 LYS HE2 H 1 3.001 . . . . . . . A 1731 LYS HE2 . 34806 1 8 . 1 . 1 1 1 LYS CA C 13 58.571 . . . . . . . A 1731 LYS CA . 34806 1 9 . 1 . 1 1 1 LYS CB C 13 32.087 . . . . . . . A 1731 LYS CB . 34806 1 10 . 1 . 1 1 1 LYS CG C 13 24.432 . . . . . . . A 1731 LYS CG . 34806 1 11 . 1 . 1 1 1 LYS CD C 13 28.582 . . . . . . . A 1731 LYS CD . 34806 1 12 . 1 . 1 1 1 LYS CE C 13 41.555 . . . . . . . A 1731 LYS CE . 34806 1 13 . 1 . 1 1 1 LYS N N 15 118.546 . . . . . . . A 1731 LYS N . 34806 1 14 . 1 . 1 2 2 LYS H H 1 8.531 . . . . . . . A 1732 LYS H . 34806 1 15 . 1 . 1 2 2 LYS HA H 1 4.147 . . . . . . . A 1732 LYS HA . 34806 1 16 . 1 . 1 2 2 LYS HB2 H 1 1.859 . . . . . . . A 1732 LYS HB2 . 34806 1 17 . 1 . 1 2 2 LYS HG2 H 1 1.467 . . . . . . . A 1732 LYS HG2 . 34806 1 18 . 1 . 1 2 2 LYS HG3 H 1 1.577 . . . . . . . A 1732 LYS HG3 . 34806 1 19 . 1 . 1 2 2 LYS HD2 H 1 1.734 . . . . . . . A 1732 LYS HD2 . 34806 1 20 . 1 . 1 2 2 LYS HE2 H 1 2.997 . . . . . . . A 1732 LYS HE2 . 34806 1 21 . 1 . 1 2 2 LYS CA C 13 58.571 . . . . . . . A 1732 LYS CA . 34806 1 22 . 1 . 1 2 2 LYS CB C 13 32.199 . . . . . . . A 1732 LYS CB . 34806 1 23 . 1 . 1 2 2 LYS CG C 13 24.432 . . . . . . . A 1732 LYS CG . 34806 1 24 . 1 . 1 2 2 LYS CD C 13 28.582 . . . . . . . A 1732 LYS CD . 34806 1 25 . 1 . 1 2 2 LYS CE C 13 41.555 . . . . . . . A 1732 LYS CE . 34806 1 26 . 1 . 1 2 2 LYS N N 15 120.306 . . . . . . . A 1732 LYS N . 34806 1 27 . 1 . 1 3 3 LYS H H 1 7.897 . . . . . . . A 1733 LYS H . 34806 1 28 . 1 . 1 3 3 LYS HA H 1 4.205 . . . . . . . A 1733 LYS HA . 34806 1 29 . 1 . 1 3 3 LYS HB2 H 1 1.856 . . . . . . . A 1733 LYS HB2 . 34806 1 30 . 1 . 1 3 3 LYS HB3 H 1 1.914 . . . . . . . A 1733 LYS HB3 . 34806 1 31 . 1 . 1 3 3 LYS HG2 H 1 1.573 . . . . . . . A 1733 LYS HG2 . 34806 1 32 . 1 . 1 3 3 LYS HD2 H 1 1.749 . . . . . . . A 1733 LYS HD2 . 34806 1 33 . 1 . 1 3 3 LYS HE2 H 1 3.001 . . . . . . . A 1733 LYS HE2 . 34806 1 34 . 1 . 1 3 3 LYS CA C 13 58.333 . . . . . . . A 1733 LYS CA . 34806 1 35 . 1 . 1 3 3 LYS CB C 13 32.218 . . . . . . . A 1733 LYS CB . 34806 1 36 . 1 . 1 3 3 LYS CG C 13 24.448 . . . . . . . A 1733 LYS CG . 34806 1 37 . 1 . 1 3 3 LYS CD C 13 28.582 . . . . . . . A 1733 LYS CD . 34806 1 38 . 1 . 1 3 3 LYS CE C 13 41.555 . . . . . . . A 1733 LYS CE . 34806 1 39 . 1 . 1 3 3 LYS N N 15 120.583 . . . . . . . A 1733 LYS N . 34806 1 40 . 1 . 1 4 4 LEU H H 1 7.747 . . . . . . . A 1734 LEU H . 34806 1 41 . 1 . 1 4 4 LEU HA H 1 4.234 . . . . . . . A 1734 LEU HA . 34806 1 42 . 1 . 1 4 4 LEU HB2 H 1 1.709 . . . . . . . A 1734 LEU HB2 . 34806 1 43 . 1 . 1 4 4 LEU HB3 H 1 1.765 . . . . . . . A 1734 LEU HB3 . 34806 1 44 . 1 . 1 4 4 LEU HG H 1 1.651 . . . . . . . A 1734 LEU HG . 34806 1 45 . 1 . 1 4 4 LEU HD11 H 1 0.961 . . . . . . . A 1734 LEU HD11 . 34806 1 46 . 1 . 1 4 4 LEU HD12 H 1 0.961 . . . . . . . A 1734 LEU HD12 . 34806 1 47 . 1 . 1 4 4 LEU HD13 H 1 0.961 . . . . . . . A 1734 LEU HD13 . 34806 1 48 . 1 . 1 4 4 LEU HD21 H 1 0.923 . . . . . . . A 1734 LEU HD21 . 34806 1 49 . 1 . 1 4 4 LEU HD22 H 1 0.923 . . . . . . . A 1734 LEU HD22 . 34806 1 50 . 1 . 1 4 4 LEU HD23 H 1 0.923 . . . . . . . A 1734 LEU HD23 . 34806 1 51 . 1 . 1 4 4 LEU CA C 13 56.784 . . . . . . . A 1734 LEU CA . 34806 1 52 . 1 . 1 4 4 LEU CB C 13 41.173 . . . . . . . A 1734 LEU CB . 34806 1 53 . 1 . 1 4 4 LEU CG C 13 26.123 . . . . . . . A 1734 LEU CG . 34806 1 54 . 1 . 1 4 4 LEU CD1 C 13 23.235 . . . . . . . A 1734 LEU CD1 . 34806 1 55 . 1 . 1 4 4 LEU N N 15 118.592 . . . . . . . A 1734 LEU N . 34806 1 56 . 1 . 1 5 5 HIS H H 1 7.984 . . . . . . . A 1735 HIS H . 34806 1 57 . 1 . 1 5 5 HIS HA H 1 4.382 . . . . . . . A 1735 HIS HA . 34806 1 58 . 1 . 1 5 5 HIS HB2 H 1 3.219 . . . . . . . A 1735 HIS HB2 . 34806 1 59 . 1 . 1 5 5 HIS CA C 13 58.703 . . . . . . . A 1735 HIS CA . 34806 1 60 . 1 . 1 5 5 HIS CB C 13 28.703 . . . . . . . A 1735 HIS CB . 34806 1 61 . 1 . 1 5 5 HIS N N 15 119.388 . . . . . . . A 1735 HIS N . 34806 1 62 . 1 . 1 6 6 PHE H H 1 7.888 . . . . . . . A 1736 PHE H . 34806 1 63 . 1 . 1 6 6 PHE HA H 1 4.333 . . . . . . . A 1736 PHE HA . 34806 1 64 . 1 . 1 6 6 PHE HB2 H 1 3.236 . . . . . . . A 1736 PHE HB2 . 34806 1 65 . 1 . 1 6 6 PHE HD1 H 1 7.251 . . . . . . . A 1736 PHE HD1 . 34806 1 66 . 1 . 1 6 6 PHE HD2 H 1 7.251 . . . . . . . A 1736 PHE HD2 . 34806 1 67 . 1 . 1 6 6 PHE HE1 H 1 7.318 . . . . . . . A 1736 PHE HE1 . 34806 1 68 . 1 . 1 6 6 PHE HE2 H 1 7.318 . . . . . . . A 1736 PHE HE2 . 34806 1 69 . 1 . 1 6 6 PHE CA C 13 60.103 . . . . . . . A 1736 PHE CA . 34806 1 70 . 1 . 1 6 6 PHE CB C 13 38.233 . . . . . . . A 1736 PHE CB . 34806 1 71 . 1 . 1 6 6 PHE CD2 C 13 128.889 . . . . . . . A 1736 PHE CD2 . 34806 1 72 . 1 . 1 6 6 PHE CE2 C 13 130.350 . . . . . . . A 1736 PHE CE2 . 34806 1 73 . 1 . 1 7 7 MET H H 1 8.121 . . . . . . . A 1737 MET H . 34806 1 74 . 1 . 1 7 7 MET HA H 1 4.121 . . . . . . . A 1737 MET HA . 34806 1 75 . 1 . 1 7 7 MET HB2 H 1 2.124 . . . . . . . A 1737 MET HB2 . 34806 1 76 . 1 . 1 7 7 MET HB3 H 1 2.206 . . . . . . . A 1737 MET HB3 . 34806 1 77 . 1 . 1 7 7 MET HG2 H 1 2.572 . . . . . . . A 1737 MET HG2 . 34806 1 78 . 1 . 1 7 7 MET HG3 H 1 2.681 . . . . . . . A 1737 MET HG3 . 34806 1 79 . 1 . 1 7 7 MET CA C 13 57.802 . . . . . . . A 1737 MET CA . 34806 1 80 . 1 . 1 7 7 MET CB C 13 31.373 . . . . . . . A 1737 MET CB . 34806 1 81 . 1 . 1 7 7 MET N N 15 117.091 . . . . . . . A 1737 MET N . 34806 1 82 . 1 . 1 8 8 TYR H H 1 7.915 . . . . . . . A 1738 TYR H . 34806 1 83 . 1 . 1 8 8 TYR HA H 1 4.279 . . . . . . . A 1738 TYR HA . 34806 1 84 . 1 . 1 8 8 TYR HB2 H 1 3.165 . . . . . . . A 1738 TYR HB2 . 34806 1 85 . 1 . 1 8 8 TYR HD1 H 1 7.090 . . . . . . . A 1738 TYR HD1 . 34806 1 86 . 1 . 1 8 8 TYR HD2 H 1 7.090 . . . . . . . A 1738 TYR HD2 . 34806 1 87 . 1 . 1 8 8 TYR HE1 H 1 6.772 . . . . . . . A 1738 TYR HE1 . 34806 1 88 . 1 . 1 8 8 TYR HE2 H 1 6.772 . . . . . . . A 1738 TYR HE2 . 34806 1 89 . 1 . 1 8 8 TYR CA C 13 60.562 . . . . . . . A 1738 TYR CA . 34806 1 90 . 1 . 1 8 8 TYR CB C 13 37.349 . . . . . . . A 1738 TYR CB . 34806 1 91 . 1 . 1 8 8 TYR CD1 C 13 131.864 . . . . . . . A 1738 TYR CD1 . 34806 1 92 . 1 . 1 8 8 TYR CE1 C 13 117.136 . . . . . . . A 1738 TYR CE1 . 34806 1 93 . 1 . 1 8 8 TYR N N 15 118.651 . . . . . . . A 1738 TYR N . 34806 1 94 . 1 . 1 9 9 VAL H H 1 7.763 . . . . . . . A 1739 VAL H . 34806 1 95 . 1 . 1 9 9 VAL HA H 1 3.561 . . . . . . . A 1739 VAL HA . 34806 1 96 . 1 . 1 9 9 VAL HB H 1 2.158 . . . . . . . A 1739 VAL HB . 34806 1 97 . 1 . 1 9 9 VAL HG11 H 1 0.994 . . . . . . . A 1739 VAL HG11 . 34806 1 98 . 1 . 1 9 9 VAL HG12 H 1 0.994 . . . . . . . A 1739 VAL HG12 . 34806 1 99 . 1 . 1 9 9 VAL HG13 H 1 0.994 . . . . . . . A 1739 VAL HG13 . 34806 1 100 . 1 . 1 9 9 VAL HG21 H 1 0.939 . . . . . . . A 1739 VAL HG21 . 34806 1 101 . 1 . 1 9 9 VAL HG22 H 1 0.939 . . . . . . . A 1739 VAL HG22 . 34806 1 102 . 1 . 1 9 9 VAL HG23 H 1 0.939 . . . . . . . A 1739 VAL HG23 . 34806 1 103 . 1 . 1 9 9 VAL CA C 13 66.030 . . . . . . . A 1739 VAL CA . 34806 1 104 . 1 . 1 9 9 VAL CB C 13 30.823 . . . . . . . A 1739 VAL CB . 34806 1 105 . 1 . 1 9 9 VAL CG1 C 13 21.366 . . . . . . . A 1739 VAL CG1 . 34806 1 106 . 1 . 1 9 9 VAL CG2 C 13 19.826 . . . . . . . A 1739 VAL CG2 . 34806 1 107 . 1 . 1 9 9 VAL N N 15 118.592 . . . . . . . A 1739 VAL N . 34806 1 108 . 1 . 1 10 10 LEU H H 1 7.787 . . . . . . . A 1740 LEU H . 34806 1 109 . 1 . 1 10 10 LEU HA H 1 3.985 . . . . . . . A 1740 LEU HA . 34806 1 110 . 1 . 1 10 10 LEU HB2 H 1 1.470 . . . . . . . A 1740 LEU HB2 . 34806 1 111 . 1 . 1 10 10 LEU HB3 H 1 1.746 . . . . . . . A 1740 LEU HB3 . 34806 1 112 . 1 . 1 10 10 LEU HG H 1 1.565 . . . . . . . A 1740 LEU HG . 34806 1 113 . 1 . 1 10 10 LEU HD11 H 1 0.816 . . . . . . . A 1740 LEU HD11 . 34806 1 114 . 1 . 1 10 10 LEU HD12 H 1 0.816 . . . . . . . A 1740 LEU HD12 . 34806 1 115 . 1 . 1 10 10 LEU HD13 H 1 0.816 . . . . . . . A 1740 LEU HD13 . 34806 1 116 . 1 . 1 10 10 LEU CA C 13 57.418 . . . . . . . A 1740 LEU CA . 34806 1 117 . 1 . 1 10 10 LEU CB C 13 40.907 . . . . . . . A 1740 LEU CB . 34806 1 118 . 1 . 1 10 10 LEU CG C 13 25.929 . . . . . . . A 1740 LEU CG . 34806 1 119 . 1 . 1 10 10 LEU CD1 C 13 23.687 . . . . . . . A 1740 LEU CD1 . 34806 1 120 . 1 . 1 10 10 LEU N N 15 118.768 . . . . . . . A 1740 LEU N . 34806 1 121 . 1 . 1 11 11 LEU H H 1 7.828 . . . . . . . A 1741 LEU H . 34806 1 122 . 1 . 1 11 11 LEU HA H 1 4.153 . . . . . . . A 1741 LEU HA . 34806 1 123 . 1 . 1 11 11 LEU HB2 H 1 1.802 . . . . . . . A 1741 LEU HB2 . 34806 1 124 . 1 . 1 11 11 LEU HB3 H 1 1.754 . . . . . . . A 1741 LEU HB3 . 34806 1 125 . 1 . 1 11 11 LEU HD11 H 1 0.919 . . . . . . . A 1741 LEU HD11 . 34806 1 126 . 1 . 1 11 11 LEU HD12 H 1 0.919 . . . . . . . A 1741 LEU HD12 . 34806 1 127 . 1 . 1 11 11 LEU HD13 H 1 0.919 . . . . . . . A 1741 LEU HD13 . 34806 1 128 . 1 . 1 11 11 LEU HD21 H 1 0.888 . . . . . . . A 1741 LEU HD21 . 34806 1 129 . 1 . 1 11 11 LEU HD22 H 1 0.888 . . . . . . . A 1741 LEU HD22 . 34806 1 130 . 1 . 1 11 11 LEU HD23 H 1 0.888 . . . . . . . A 1741 LEU HD23 . 34806 1 131 . 1 . 1 11 11 LEU CA C 13 58.015 . . . . . . . A 1741 LEU CA . 34806 1 132 . 1 . 1 11 11 LEU CB C 13 40.927 . . . . . . . A 1741 LEU CB . 34806 1 133 . 1 . 1 11 11 LEU CD1 C 13 22.914 . . . . . . . A 1741 LEU CD1 . 34806 1 134 . 1 . 1 11 11 LEU CD2 C 13 22.867 . . . . . . . A 1741 LEU CD2 . 34806 1 135 . 1 . 1 11 11 LEU N N 15 119.302 . . . . . . . A 1741 LEU N . 34806 1 136 . 1 . 1 12 12 LEU H H 1 7.918 . . . . . . . A 1742 LEU H . 34806 1 137 . 1 . 1 12 12 LEU HA H 1 4.048 . . . . . . . A 1742 LEU HA . 34806 1 138 . 1 . 1 12 12 LEU HB2 H 1 1.725 . . . . . . . A 1742 LEU HB2 . 34806 1 139 . 1 . 1 12 12 LEU HD11 H 1 0.864 . . . . . . . A 1742 LEU HD11 . 34806 1 140 . 1 . 1 12 12 LEU HD12 H 1 0.864 . . . . . . . A 1742 LEU HD12 . 34806 1 141 . 1 . 1 12 12 LEU HD13 H 1 0.864 . . . . . . . A 1742 LEU HD13 . 34806 1 142 . 1 . 1 12 12 LEU CA C 13 57.535 . . . . . . . A 1742 LEU CA . 34806 1 143 . 1 . 1 12 12 LEU CB C 13 40.909 . . . . . . . A 1742 LEU CB . 34806 1 144 . 1 . 1 12 12 LEU CD1 C 13 22.579 . . . . . . . A 1742 LEU CD1 . 34806 1 145 . 1 . 1 12 12 LEU N N 15 119.550 . . . . . . . A 1742 LEU N . 34806 1 146 . 1 . 1 13 13 LEU H H 1 8.252 . . . . . . . A 1743 LEU H . 34806 1 147 . 1 . 1 13 13 LEU HA H 1 4.123 . . . . . . . A 1743 LEU HA . 34806 1 148 . 1 . 1 13 13 LEU HB2 H 1 1.688 . . . . . . . A 1743 LEU HB2 . 34806 1 149 . 1 . 1 13 13 LEU HB3 H 1 1.826 . . . . . . . A 1743 LEU HB3 . 34806 1 150 . 1 . 1 13 13 LEU HD11 H 1 0.912 . . . . . . . A 1743 LEU HD11 . 34806 1 151 . 1 . 1 13 13 LEU HD12 H 1 0.912 . . . . . . . A 1743 LEU HD12 . 34806 1 152 . 1 . 1 13 13 LEU HD13 H 1 0.912 . . . . . . . A 1743 LEU HD13 . 34806 1 153 . 1 . 1 13 13 LEU HD21 H 1 0.866 . . . . . . . A 1743 LEU HD21 . 34806 1 154 . 1 . 1 13 13 LEU HD22 H 1 0.866 . . . . . . . A 1743 LEU HD22 . 34806 1 155 . 1 . 1 13 13 LEU HD23 H 1 0.866 . . . . . . . A 1743 LEU HD23 . 34806 1 156 . 1 . 1 13 13 LEU CA C 13 57.544 . . . . . . . A 1743 LEU CA . 34806 1 157 . 1 . 1 13 13 LEU CB C 13 40.994 . . . . . . . A 1743 LEU CB . 34806 1 158 . 1 . 1 13 13 LEU CD1 C 13 23.189 . . . . . . . A 1743 LEU CD1 . 34806 1 159 . 1 . 1 13 13 LEU CD2 C 13 22.989 . . . . . . . A 1743 LEU CD2 . 34806 1 160 . 1 . 1 13 13 LEU N N 15 118.753 . . . . . . . A 1743 LEU N . 34806 1 161 . 1 . 1 14 14 PHE H H 1 8.205 . . . . . . . A 1744 PHE H . 34806 1 162 . 1 . 1 14 14 PHE HA H 1 4.293 . . . . . . . A 1744 PHE HA . 34806 1 163 . 1 . 1 14 14 PHE HB2 H 1 3.387 . . . . . . . A 1744 PHE HB2 . 34806 1 164 . 1 . 1 14 14 PHE HB3 H 1 3.353 . . . . . . . A 1744 PHE HB3 . 34806 1 165 . 1 . 1 14 14 PHE HD1 H 1 7.224 . . . . . . . A 1744 PHE HD1 . 34806 1 166 . 1 . 1 14 14 PHE HD2 H 1 7.224 . . . . . . . A 1744 PHE HD2 . 34806 1 167 . 1 . 1 14 14 PHE HE1 H 1 7.189 . . . . . . . A 1744 PHE HE1 . 34806 1 168 . 1 . 1 14 14 PHE HE2 H 1 7.189 . . . . . . . A 1744 PHE HE2 . 34806 1 169 . 1 . 1 14 14 PHE CA C 13 60.803 . . . . . . . A 1744 PHE CA . 34806 1 170 . 1 . 1 14 14 PHE CB C 13 37.958 . . . . . . . A 1744 PHE CB . 34806 1 171 . 1 . 1 14 14 PHE CD1 C 13 130.708 . . . . . . . A 1744 PHE CD1 . 34806 1 172 . 1 . 1 14 14 PHE CE1 C 13 130.092 . . . . . . . A 1744 PHE CE1 . 34806 1 173 . 1 . 1 14 14 PHE N N 15 118.546 . . . . . . . A 1744 PHE N . 34806 1 174 . 1 . 1 15 15 VAL H H 1 8.385 . . . . . . . A 1745 VAL H . 34806 1 175 . 1 . 1 15 15 VAL HA H 1 3.694 . . . . . . . A 1745 VAL HA . 34806 1 176 . 1 . 1 15 15 VAL HB H 1 2.382 . . . . . . . A 1745 VAL HB . 34806 1 177 . 1 . 1 15 15 VAL HG11 H 1 1.058 . . . . . . . A 1745 VAL HG11 . 34806 1 178 . 1 . 1 15 15 VAL HG12 H 1 1.058 . . . . . . . A 1745 VAL HG12 . 34806 1 179 . 1 . 1 15 15 VAL HG13 H 1 1.058 . . . . . . . A 1745 VAL HG13 . 34806 1 180 . 1 . 1 15 15 VAL HG21 H 1 1.185 . . . . . . . A 1745 VAL HG21 . 34806 1 181 . 1 . 1 15 15 VAL HG22 H 1 1.185 . . . . . . . A 1745 VAL HG22 . 34806 1 182 . 1 . 1 15 15 VAL HG23 H 1 1.185 . . . . . . . A 1745 VAL HG23 . 34806 1 183 . 1 . 1 15 15 VAL CA C 13 66.394 . . . . . . . A 1745 VAL CA . 34806 1 184 . 1 . 1 15 15 VAL CB C 13 31.195 . . . . . . . A 1745 VAL CB . 34806 1 185 . 1 . 1 15 15 VAL CG1 C 13 21.437 . . . . . . . A 1745 VAL CG1 . 34806 1 186 . 1 . 1 15 15 VAL CG2 C 13 20.331 . . . . . . . A 1745 VAL CG2 . 34806 1 187 . 1 . 1 15 15 VAL N N 15 120.182 . . . . . . . A 1745 VAL N . 34806 1 188 . 1 . 1 16 16 LEU H H 1 8.484 . . . . . . . A 1746 LEU H . 34806 1 189 . 1 . 1 16 16 LEU HA H 1 4.240 . . . . . . . A 1746 LEU HA . 34806 1 190 . 1 . 1 16 16 LEU HB2 H 1 1.933 . . . . . . . A 1746 LEU HB2 . 34806 1 191 . 1 . 1 16 16 LEU HB3 H 1 1.831 . . . . . . . A 1746 LEU HB3 . 34806 1 192 . 1 . 1 16 16 LEU HD11 H 1 0.925 . . . . . . . A 1746 LEU HD11 . 34806 1 193 . 1 . 1 16 16 LEU HD12 H 1 0.925 . . . . . . . A 1746 LEU HD12 . 34806 1 194 . 1 . 1 16 16 LEU HD13 H 1 0.925 . . . . . . . A 1746 LEU HD13 . 34806 1 195 . 1 . 1 16 16 LEU CA C 13 58.147 . . . . . . . A 1746 LEU CA . 34806 1 196 . 1 . 1 16 16 LEU CB C 13 41.177 . . . . . . . A 1746 LEU CB . 34806 1 197 . 1 . 1 16 16 LEU CD1 C 13 22.406 . . . . . . . A 1746 LEU CD1 . 34806 1 198 . 1 . 1 16 16 LEU N N 15 120.437 . . . . . . . A 1746 LEU N . 34806 1 199 . 1 . 1 17 17 LEU H H 1 8.646 . . . . . . . A 1747 LEU H . 34806 1 200 . 1 . 1 17 17 LEU HA H 1 4.072 . . . . . . . A 1747 LEU HA . 34806 1 201 . 1 . 1 17 17 LEU HB2 H 1 1.401 . . . . . . . A 1747 LEU HB2 . 34806 1 202 . 1 . 1 17 17 LEU HB3 H 1 1.919 . . . . . . . A 1747 LEU HB3 . 34806 1 203 . 1 . 1 17 17 LEU HD11 H 1 0.879 . . . . . . . A 1747 LEU HD11 . 34806 1 204 . 1 . 1 17 17 LEU HD12 H 1 0.879 . . . . . . . A 1747 LEU HD12 . 34806 1 205 . 1 . 1 17 17 LEU HD13 H 1 0.879 . . . . . . . A 1747 LEU HD13 . 34806 1 206 . 1 . 1 17 17 LEU HD21 H 1 0.850 . . . . . . . A 1747 LEU HD21 . 34806 1 207 . 1 . 1 17 17 LEU HD22 H 1 0.850 . . . . . . . A 1747 LEU HD22 . 34806 1 208 . 1 . 1 17 17 LEU HD23 H 1 0.850 . . . . . . . A 1747 LEU HD23 . 34806 1 209 . 1 . 1 17 17 LEU CA C 13 57.629 . . . . . . . A 1747 LEU CA . 34806 1 210 . 1 . 1 17 17 LEU CB C 13 40.886 . . . . . . . A 1747 LEU CB . 34806 1 211 . 1 . 1 17 17 LEU CD1 C 13 23.675 . . . . . . . A 1747 LEU CD1 . 34806 1 212 . 1 . 1 17 17 LEU CD2 C 13 21.283 . . . . . . . A 1747 LEU CD2 . 34806 1 213 . 1 . 1 17 17 LEU N N 15 117.445 . . . . . . . A 1747 LEU N . 34806 1 214 . 1 . 1 18 18 PHE H H 1 8.290 . . . . . . . A 1748 PHE H . 34806 1 215 . 1 . 1 18 18 PHE HA H 1 4.220 . . . . . . . A 1748 PHE HA . 34806 1 216 . 1 . 1 18 18 PHE HB2 H 1 3.163 . . . . . . . A 1748 PHE HB2 . 34806 1 217 . 1 . 1 18 18 PHE HB3 H 1 2.930 . . . . . . . A 1748 PHE HB3 . 34806 1 218 . 1 . 1 18 18 PHE HD1 H 1 6.826 . . . . . . . A 1748 PHE HD1 . 34806 1 219 . 1 . 1 18 18 PHE HD2 H 1 6.826 . . . . . . . A 1748 PHE HD2 . 34806 1 220 . 1 . 1 18 18 PHE HE1 H 1 7.106 . . . . . . . A 1748 PHE HE1 . 34806 1 221 . 1 . 1 18 18 PHE HE2 H 1 7.106 . . . . . . . A 1748 PHE HE2 . 34806 1 222 . 1 . 1 18 18 PHE CA C 13 60.492 . . . . . . . A 1748 PHE CA . 34806 1 223 . 1 . 1 18 18 PHE CB C 13 38.080 . . . . . . . A 1748 PHE CB . 34806 1 224 . 1 . 1 18 18 PHE CD2 C 13 130.988 . . . . . . . A 1748 PHE CD2 . 34806 1 225 . 1 . 1 18 18 PHE CE1 C 13 130.208 . . . . . . . A 1748 PHE CE1 . 34806 1 226 . 1 . 1 18 18 PHE N N 15 121.131 . . . . . . . A 1748 PHE N . 34806 1 227 . 1 . 1 19 19 PHE H H 1 8.447 . . . . . . . A 1749 PHE H . 34806 1 228 . 1 . 1 19 19 PHE HA H 1 4.301 . . . . . . . A 1749 PHE HA . 34806 1 229 . 1 . 1 19 19 PHE HB2 H 1 3.311 . . . . . . . A 1749 PHE HB2 . 34806 1 230 . 1 . 1 19 19 PHE HD1 H 1 7.405 . . . . . . . A 1749 PHE HD1 . 34806 1 231 . 1 . 1 19 19 PHE HD2 H 1 7.405 . . . . . . . A 1749 PHE HD2 . 34806 1 232 . 1 . 1 19 19 PHE HE1 H 1 7.360 . . . . . . . A 1749 PHE HE1 . 34806 1 233 . 1 . 1 19 19 PHE HE2 H 1 7.360 . . . . . . . A 1749 PHE HE2 . 34806 1 234 . 1 . 1 19 19 PHE CA C 13 61.213 . . . . . . . A 1749 PHE CA . 34806 1 235 . 1 . 1 19 19 PHE CB C 13 38.140 . . . . . . . A 1749 PHE CB . 34806 1 236 . 1 . 1 19 19 PHE CD1 C 13 130.764 . . . . . . . A 1749 PHE CD1 . 34806 1 237 . 1 . 1 19 19 PHE CE2 C 13 130.435 . . . . . . . A 1749 PHE CE2 . 34806 1 238 . 1 . 1 19 19 PHE N N 15 119.960 . . . . . . . A 1749 PHE N . 34806 1 239 . 1 . 1 20 20 VAL H H 1 8.922 . . . . . . . A 1750 VAL H . 34806 1 240 . 1 . 1 20 20 VAL HA H 1 3.735 . . . . . . . A 1750 VAL HA . 34806 1 241 . 1 . 1 20 20 VAL HB H 1 2.284 . . . . . . . A 1750 VAL HB . 34806 1 242 . 1 . 1 20 20 VAL HG11 H 1 0.952 . . . . . . . A 1750 VAL HG11 . 34806 1 243 . 1 . 1 20 20 VAL HG12 H 1 0.952 . . . . . . . A 1750 VAL HG12 . 34806 1 244 . 1 . 1 20 20 VAL HG13 H 1 0.952 . . . . . . . A 1750 VAL HG13 . 34806 1 245 . 1 . 1 20 20 VAL HG21 H 1 1.142 . . . . . . . A 1750 VAL HG21 . 34806 1 246 . 1 . 1 20 20 VAL HG22 H 1 1.142 . . . . . . . A 1750 VAL HG22 . 34806 1 247 . 1 . 1 20 20 VAL HG23 H 1 1.142 . . . . . . . A 1750 VAL HG23 . 34806 1 248 . 1 . 1 20 20 VAL CA C 13 65.960 . . . . . . . A 1750 VAL CA . 34806 1 249 . 1 . 1 20 20 VAL CB C 13 31.136 . . . . . . . A 1750 VAL CB . 34806 1 250 . 1 . 1 20 20 VAL CG1 C 13 19.732 . . . . . . . A 1750 VAL CG1 . 34806 1 251 . 1 . 1 20 20 VAL CG2 C 13 21.355 . . . . . . . A 1750 VAL CG2 . 34806 1 252 . 1 . 1 20 20 VAL N N 15 121.409 . . . . . . . A 1750 VAL N . 34806 1 253 . 1 . 1 21 21 GLY H H 1 8.219 . . . . . . . A 1751 GLY H . 34806 1 254 . 1 . 1 21 21 GLY HA2 H 1 3.923 . . . . . . . A 1751 GLY HA2 . 34806 1 255 . 1 . 1 21 21 GLY HA3 H 1 3.750 . . . . . . . A 1751 GLY HA3 . 34806 1 256 . 1 . 1 21 21 GLY CA C 13 46.342 . . . . . . . A 1751 GLY CA . 34806 1 257 . 1 . 1 21 21 GLY N N 15 107.043 . . . . . . . A 1751 GLY N . 34806 1 258 . 1 . 1 22 22 CYS H H 1 7.955 . . . . . . . A 1752 CYS H . 34806 1 259 . 1 . 1 22 22 CYS HA H 1 4.074 . . . . . . . A 1752 CYS HA . 34806 1 260 . 1 . 1 22 22 CYS HB2 H 1 2.646 . . . . . . . A 1752 CYS HB2 . 34806 1 261 . 1 . 1 22 22 CYS HB3 H 1 2.950 . . . . . . . A 1752 CYS HB3 . 34806 1 262 . 1 . 1 22 22 CYS CA C 13 62.503 . . . . . . . A 1752 CYS CA . 34806 1 263 . 1 . 1 22 22 CYS CB C 13 25.719 . . . . . . . A 1752 CYS CB . 34806 1 264 . 1 . 1 22 22 CYS N N 15 118.106 . . . . . . . A 1752 CYS N . 34806 1 265 . 1 . 1 23 23 GLY H H 1 7.964 . . . . . . . A 1753 GLY H . 34806 1 266 . 1 . 1 23 23 GLY HA2 H 1 3.782 . . . . . . . A 1753 GLY HA2 . 34806 1 267 . 1 . 1 23 23 GLY HA3 H 1 3.870 . . . . . . . A 1753 GLY HA3 . 34806 1 268 . 1 . 1 23 23 GLY CA C 13 46.344 . . . . . . . A 1753 GLY CA . 34806 1 269 . 1 . 1 23 23 GLY N N 15 106.949 . . . . . . . A 1753 GLY N . 34806 1 270 . 1 . 1 24 24 VAL H H 1 8.138 . . . . . . . A 1754 VAL H . 34806 1 271 . 1 . 1 24 24 VAL HA H 1 3.652 . . . . . . . A 1754 VAL HA . 34806 1 272 . 1 . 1 24 24 VAL HB H 1 2.244 . . . . . . . A 1754 VAL HB . 34806 1 273 . 1 . 1 24 24 VAL HG11 H 1 1.051 . . . . . . . A 1754 VAL HG11 . 34806 1 274 . 1 . 1 24 24 VAL HG12 H 1 1.051 . . . . . . . A 1754 VAL HG12 . 34806 1 275 . 1 . 1 24 24 VAL HG13 H 1 1.051 . . . . . . . A 1754 VAL HG13 . 34806 1 276 . 1 . 1 24 24 VAL HG21 H 1 0.923 . . . . . . . A 1754 VAL HG21 . 34806 1 277 . 1 . 1 24 24 VAL HG22 H 1 0.923 . . . . . . . A 1754 VAL HG22 . 34806 1 278 . 1 . 1 24 24 VAL HG23 H 1 0.923 . . . . . . . A 1754 VAL HG23 . 34806 1 279 . 1 . 1 24 24 VAL CA C 13 65.907 . . . . . . . A 1754 VAL CA . 34806 1 280 . 1 . 1 24 24 VAL CB C 13 30.977 . . . . . . . A 1754 VAL CB . 34806 1 281 . 1 . 1 24 24 VAL CG1 C 13 20.865 . . . . . . . A 1754 VAL CG1 . 34806 1 282 . 1 . 1 24 24 VAL CG2 C 13 19.798 . . . . . . . A 1754 VAL CG2 . 34806 1 283 . 1 . 1 24 24 VAL N N 15 122.810 . . . . . . . A 1754 VAL N . 34806 1 284 . 1 . 1 25 25 LEU H H 1 7.929 . . . . . . . A 1755 LEU H . 34806 1 285 . 1 . 1 25 25 LEU HA H 1 4.068 . . . . . . . A 1755 LEU HA . 34806 1 286 . 1 . 1 25 25 LEU HB2 H 1 1.650 . . . . . . . A 1755 LEU HB2 . 34806 1 287 . 1 . 1 25 25 LEU HB3 H 1 1.847 . . . . . . . A 1755 LEU HB3 . 34806 1 288 . 1 . 1 25 25 LEU HG H 1 1.721 . . . . . . . A 1755 LEU HG . 34806 1 289 . 1 . 1 25 25 LEU HD11 H 1 0.918 . . . . . . . A 1755 LEU HD11 . 34806 1 290 . 1 . 1 25 25 LEU HD12 H 1 0.918 . . . . . . . A 1755 LEU HD12 . 34806 1 291 . 1 . 1 25 25 LEU HD13 H 1 0.918 . . . . . . . A 1755 LEU HD13 . 34806 1 292 . 1 . 1 25 25 LEU HD21 H 1 0.872 . . . . . . . A 1755 LEU HD21 . 34806 1 293 . 1 . 1 25 25 LEU HD22 H 1 0.872 . . . . . . . A 1755 LEU HD22 . 34806 1 294 . 1 . 1 25 25 LEU HD23 H 1 0.872 . . . . . . . A 1755 LEU HD23 . 34806 1 295 . 1 . 1 25 25 LEU CA C 13 57.415 . . . . . . . A 1755 LEU CA . 34806 1 296 . 1 . 1 25 25 LEU CB C 13 41.146 . . . . . . . A 1755 LEU CB . 34806 1 297 . 1 . 1 25 25 LEU CG C 13 26.324 . . . . . . . A 1755 LEU CG . 34806 1 298 . 1 . 1 25 25 LEU CD1 C 13 22.914 . . . . . . . A 1755 LEU CD1 . 34806 1 299 . 1 . 1 25 25 LEU CD2 C 13 22.234 . . . . . . . A 1755 LEU CD2 . 34806 1 300 . 1 . 1 25 25 LEU N N 15 119.550 . . . . . . . A 1755 LEU N . 34806 1 301 . 1 . 1 26 26 LEU H H 1 8.340 . . . . . . . A 1756 LEU H . 34806 1 302 . 1 . 1 26 26 LEU HA H 1 4.111 . . . . . . . A 1756 LEU HA . 34806 1 303 . 1 . 1 26 26 LEU HB2 H 1 1.824 . . . . . . . A 1756 LEU HB2 . 34806 1 304 . 1 . 1 26 26 LEU HB3 H 1 1.861 . . . . . . . A 1756 LEU HB3 . 34806 1 305 . 1 . 1 26 26 LEU HG H 1 1.598 . . . . . . . A 1756 LEU HG . 34806 1 306 . 1 . 1 26 26 LEU HD11 H 1 0.890 . . . . . . . A 1756 LEU HD11 . 34806 1 307 . 1 . 1 26 26 LEU HD12 H 1 0.890 . . . . . . . A 1756 LEU HD12 . 34806 1 308 . 1 . 1 26 26 LEU HD13 H 1 0.890 . . . . . . . A 1756 LEU HD13 . 34806 1 309 . 1 . 1 26 26 LEU HD21 H 1 0.898 . . . . . . . A 1756 LEU HD21 . 34806 1 310 . 1 . 1 26 26 LEU HD22 H 1 0.898 . . . . . . . A 1756 LEU HD22 . 34806 1 311 . 1 . 1 26 26 LEU HD23 H 1 0.898 . . . . . . . A 1756 LEU HD23 . 34806 1 312 . 1 . 1 26 26 LEU CA C 13 56.961 . . . . . . . A 1756 LEU CA . 34806 1 313 . 1 . 1 26 26 LEU CB C 13 41.083 . . . . . . . A 1756 LEU CB . 34806 1 314 . 1 . 1 26 26 LEU CG C 13 26.315 . . . . . . . A 1756 LEU CG . 34806 1 315 . 1 . 1 26 26 LEU CD1 C 13 21.843 . . . . . . . A 1756 LEU CD1 . 34806 1 316 . 1 . 1 26 26 LEU CD2 C 13 23.384 . . . . . . . A 1756 LEU CD2 . 34806 1 317 . 1 . 1 26 26 LEU N N 15 118.109 . . . . . . . A 1756 LEU N . 34806 1 318 . 1 . 1 27 27 SER H H 1 7.945 . . . . . . . A 1757 SER H . 34806 1 319 . 1 . 1 27 27 SER HA H 1 4.225 . . . . . . . A 1757 SER HA . 34806 1 320 . 1 . 1 27 27 SER HB2 H 1 4.031 . . . . . . . A 1757 SER HB2 . 34806 1 321 . 1 . 1 27 27 SER CA C 13 60.492 . . . . . . . A 1757 SER CA . 34806 1 322 . 1 . 1 27 27 SER CB C 13 62.557 . . . . . . . A 1757 SER CB . 34806 1 323 . 1 . 1 27 27 SER N N 15 113.658 . . . . . . . A 1757 SER N . 34806 1 324 . 1 . 1 28 28 LYS H H 1 7.857 . . . . . . . A 1758 LYS H . 34806 1 325 . 1 . 1 28 28 LYS HA H 1 4.267 . . . . . . . A 1758 LYS HA . 34806 1 326 . 1 . 1 28 28 LYS HB2 H 1 1.975 . . . . . . . A 1758 LYS HB2 . 34806 1 327 . 1 . 1 28 28 LYS HG2 H 1 1.582 . . . . . . . A 1758 LYS HG2 . 34806 1 328 . 1 . 1 28 28 LYS HD2 H 1 1.696 . . . . . . . A 1758 LYS HD2 . 34806 1 329 . 1 . 1 28 28 LYS HE2 H 1 2.950 . . . . . . . A 1758 LYS HE2 . 34806 1 330 . 1 . 1 28 28 LYS CA C 13 56.577 . . . . . . . A 1758 LYS CA . 34806 1 331 . 1 . 1 28 28 LYS CB C 13 31.497 . . . . . . . A 1758 LYS CB . 34806 1 332 . 1 . 1 28 28 LYS CG C 13 24.448 . . . . . . . A 1758 LYS CG . 34806 1 333 . 1 . 1 28 28 LYS CD C 13 28.111 . . . . . . . A 1758 LYS CD . 34806 1 334 . 1 . 1 28 28 LYS CE C 13 41.621 . . . . . . . A 1758 LYS CE . 34806 1 335 . 1 . 1 28 28 LYS N N 15 121.340 . . . . . . . A 1758 LYS N . 34806 1 336 . 1 . 1 29 29 LYS H H 1 7.994 . . . . . . . A 1759 LYS H . 34806 1 337 . 1 . 1 29 29 LYS HA H 1 4.249 . . . . . . . A 1759 LYS HA . 34806 1 338 . 1 . 1 29 29 LYS HB2 H 1 1.934 . . . . . . . A 1759 LYS HB2 . 34806 1 339 . 1 . 1 29 29 LYS HG2 H 1 1.555 . . . . . . . A 1759 LYS HG2 . 34806 1 340 . 1 . 1 29 29 LYS HD2 H 1 1.708 . . . . . . . A 1759 LYS HD2 . 34806 1 341 . 1 . 1 29 29 LYS HE2 H 1 2.996 . . . . . . . A 1759 LYS HE2 . 34806 1 342 . 1 . 1 29 29 LYS CA C 13 56.485 . . . . . . . A 1759 LYS CA . 34806 1 343 . 1 . 1 29 29 LYS CB C 13 31.735 . . . . . . . A 1759 LYS CB . 34806 1 344 . 1 . 1 29 29 LYS CG C 13 23.931 . . . . . . . A 1759 LYS CG . 34806 1 345 . 1 . 1 29 29 LYS CD C 13 28.111 . . . . . . . A 1759 LYS CD . 34806 1 346 . 1 . 1 29 29 LYS CE C 13 41.372 . . . . . . . A 1759 LYS CE . 34806 1 347 . 1 . 1 29 29 LYS N N 15 119.388 . . . . . . . A 1759 LYS N . 34806 1 348 . 1 . 1 30 30 LYS H H 1 7.920 . . . . . . . A 1760 LYS H . 34806 1 349 . 1 . 1 30 30 LYS HA H 1 4.295 . . . . . . . A 1760 LYS HA . 34806 1 350 . 1 . 1 30 30 LYS HB2 H 1 1.871 . . . . . . . A 1760 LYS HB2 . 34806 1 351 . 1 . 1 30 30 LYS HB3 H 1 1.926 . . . . . . . A 1760 LYS HB3 . 34806 1 352 . 1 . 1 30 30 LYS HG2 H 1 1.532 . . . . . . . A 1760 LYS HG2 . 34806 1 353 . 1 . 1 30 30 LYS HD2 H 1 1.710 . . . . . . . A 1760 LYS HD2 . 34806 1 354 . 1 . 1 30 30 LYS HE2 H 1 2.996 . . . . . . . A 1760 LYS HE2 . 34806 1 355 . 1 . 1 30 30 LYS CA C 13 55.582 . . . . . . . A 1760 LYS CA . 34806 1 356 . 1 . 1 30 30 LYS CB C 13 31.692 . . . . . . . A 1760 LYS CB . 34806 1 357 . 1 . 1 30 30 LYS CG C 13 23.902 . . . . . . . A 1760 LYS CG . 34806 1 358 . 1 . 1 30 30 LYS CD C 13 28.111 . . . . . . . A 1760 LYS CD . 34806 1 359 . 1 . 1 30 30 LYS CE C 13 41.372 . . . . . . . A 1760 LYS CE . 34806 1 360 . 1 . 1 30 30 LYS N N 15 120.583 . . . . . . . A 1760 LYS N . 34806 1 stop_ save_