data_34808 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34808 _Entry.Title ; Solution NMR structure of Notch3 WT 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. . . . 34808 2 C. Muhle-Goll C. . . . 34808 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34808 'Notch3 WT' . 34808 'gamma secretase' . 34808 transmembrane . 34808 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34808 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 111 34808 '15N chemical shifts' 28 34808 '1H chemical shifts' 228 34808 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' 34808 1 . . 2023-08-09 2023-04-17 original author 'original release' 34808 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OS0 'BMRB Entry Tracking System' 34808 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34808 _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. . . . 34808 1 2 N. Guschtschin-Schmidt N. . . . 34808 1 3 W. Stelzer W. . . . 34808 1 4 C. Muhle-Goll C. . . . 34808 1 5 D. Langosch D. . . . 34808 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34808 _Assembly.ID 1 _Assembly.Name 'Notch 3 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 . . . . . . 34808 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34808 _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 ; KKKPLLPLLVAGAVLLLVIL VLGVMVAKKK ; _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 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3172.220 _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 1639 LYS . 34808 1 2 1640 LYS . 34808 1 3 1641 LYS . 34808 1 4 1642 PRO . 34808 1 5 1643 LEU . 34808 1 6 1644 LEU . 34808 1 7 1645 PRO . 34808 1 8 1646 LEU . 34808 1 9 1647 LEU . 34808 1 10 1648 VAL . 34808 1 11 1649 ALA . 34808 1 12 1650 GLY . 34808 1 13 1651 ALA . 34808 1 14 1652 VAL . 34808 1 15 1653 LEU . 34808 1 16 1654 LEU . 34808 1 17 1655 LEU . 34808 1 18 1656 VAL . 34808 1 19 1657 ILE . 34808 1 20 1658 LEU . 34808 1 21 1659 VAL . 34808 1 22 1660 LEU . 34808 1 23 1661 GLY . 34808 1 24 1662 VAL . 34808 1 25 1663 MET . 34808 1 26 1664 VAL . 34808 1 27 1665 ALA . 34808 1 28 1666 LYS . 34808 1 29 1667 LYS . 34808 1 30 1668 LYS . 34808 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 34808 1 . LYS 2 2 34808 1 . LYS 3 3 34808 1 . PRO 4 4 34808 1 . LEU 5 5 34808 1 . LEU 6 6 34808 1 . PRO 7 7 34808 1 . LEU 8 8 34808 1 . LEU 9 9 34808 1 . VAL 10 10 34808 1 . ALA 11 11 34808 1 . GLY 12 12 34808 1 . ALA 13 13 34808 1 . VAL 14 14 34808 1 . LEU 15 15 34808 1 . LEU 16 16 34808 1 . LEU 17 17 34808 1 . VAL 18 18 34808 1 . ILE 19 19 34808 1 . LEU 20 20 34808 1 . VAL 21 21 34808 1 . LEU 22 22 34808 1 . GLY 23 23 34808 1 . VAL 24 24 34808 1 . MET 25 25 34808 1 . VAL 26 26 34808 1 . ALA 27 27 34808 1 . LYS 28 28 34808 1 . LYS 29 29 34808 1 . LYS 30 30 34808 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 34808 _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 . . . . . . . . . . . . . 34808 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 34808 _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' . . . . . . . . . . . . . . . . 34808 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34808 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM Notch3 WT 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 'Notch3 WT TMD' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34808 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 34808 _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 34808 1 pressure 1 . bar 34808 1 temperature 300 . K 34808 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34808 _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' . . 34808 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34808 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34808 _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" . . 34808 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34808 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34808 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _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.' . . 34808 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34808 3 'peak picking' . 34808 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 34808 _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 34808 _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 . . . 34808 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 34808 _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 . . . . . . . . . . . . . . . . . 34808 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34808 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34808 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34808 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 34808 _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 'methyl carbons' . . . . ppm 61.5 internal direct 1 . . . . . 34808 1 H 1 TFE 'methylene protons' . . . . ppm 3.88 internal direct 1 . . . . . 34808 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 34808 _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' . . . 34808 1 2 '2D 1H-1H TOCSY' . . . 34808 1 3 '2D 1H-13C HSQC' . . . 34808 1 4 '2D 1H-15N HSQC' . . . 34808 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 7.834 . . . . . . . A 1639 LYS H1 . 34808 1 2 . 1 . 1 1 1 LYS HA H 1 4.295 . . . . . . . A 1639 LYS HA . 34808 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.757 . . . . . . . A 1639 LYS HB2 . 34808 1 4 . 1 . 1 1 1 LYS HB3 H 1 1.844 . . . . . . . A 1639 LYS HB3 . 34808 1 5 . 1 . 1 1 1 LYS HG2 H 1 1.473 . . . . . . . A 1639 LYS HG2 . 34808 1 6 . 1 . 1 1 1 LYS HG3 H 1 1.519 . . . . . . . A 1639 LYS HG3 . 34808 1 7 . 1 . 1 1 1 LYS HE2 H 1 3.014 . . . . . . . A 1639 LYS HE2 . 34808 1 8 . 1 . 1 1 1 LYS CA C 13 56.089 . . . . . . . A 1639 LYS CA . 34808 1 9 . 1 . 1 1 1 LYS CB C 13 32.454 . . . . . . . A 1639 LYS CB . 34808 1 10 . 1 . 1 1 1 LYS CG C 13 24.127 . . . . . . . A 1639 LYS CG . 34808 1 11 . 1 . 1 1 1 LYS CE C 13 41.617 . . . . . . . A 1639 LYS CE . 34808 1 12 . 1 . 1 1 1 LYS N N 15 125.645 . . . . . . . A 1639 LYS N . 34808 1 13 . 1 . 1 2 2 LYS H H 1 7.972 . . . . . . . A 1640 LYS H . 34808 1 14 . 1 . 1 2 2 LYS HA H 1 4.367 . . . . . . . A 1640 LYS HA . 34808 1 15 . 1 . 1 2 2 LYS HB2 H 1 1.770 . . . . . . . A 1640 LYS HB2 . 34808 1 16 . 1 . 1 2 2 LYS HB3 H 1 1.849 . . . . . . . A 1640 LYS HB3 . 34808 1 17 . 1 . 1 2 2 LYS HG2 H 1 1.512 . . . . . . . A 1640 LYS HG2 . 34808 1 18 . 1 . 1 2 2 LYS HG3 H 1 1.428 . . . . . . . A 1640 LYS HG3 . 34808 1 19 . 1 . 1 2 2 LYS HE2 H 1 3.014 . . . . . . . A 1640 LYS HE2 . 34808 1 20 . 1 . 1 2 2 LYS CA C 13 55.566 . . . . . . . A 1640 LYS CA . 34808 1 21 . 1 . 1 2 2 LYS CB C 13 32.066 . . . . . . . A 1640 LYS CB . 34808 1 22 . 1 . 1 2 2 LYS CG C 13 24.149 . . . . . . . A 1640 LYS CG . 34808 1 23 . 1 . 1 2 2 LYS CE C 13 41.617 . . . . . . . A 1640 LYS CE . 34808 1 24 . 1 . 1 2 2 LYS N N 15 120.627 . . . . . . . A 1640 LYS N . 34808 1 25 . 1 . 1 3 3 LYS H H 1 7.854 . . . . . . . A 1641 LYS H . 34808 1 26 . 1 . 1 3 3 LYS HA H 1 4.620 . . . . . . . A 1641 LYS HA . 34808 1 27 . 1 . 1 3 3 LYS HB2 H 1 1.786 . . . . . . . A 1641 LYS HB2 . 34808 1 28 . 1 . 1 3 3 LYS HB3 H 1 1.834 . . . . . . . A 1641 LYS HB3 . 34808 1 29 . 1 . 1 3 3 LYS HG2 H 1 1.473 . . . . . . . A 1641 LYS HG2 . 34808 1 30 . 1 . 1 3 3 LYS HG3 H 1 1.550 . . . . . . . A 1641 LYS HG3 . 34808 1 31 . 1 . 1 3 3 LYS HE2 H 1 3.014 . . . . . . . A 1641 LYS HE2 . 34808 1 32 . 1 . 1 3 3 LYS CA C 13 54.079 . . . . . . . A 1641 LYS CA . 34808 1 33 . 1 . 1 3 3 LYS CB C 13 32.398 . . . . . . . A 1641 LYS CB . 34808 1 34 . 1 . 1 3 3 LYS CG C 13 24.129 . . . . . . . A 1641 LYS CG . 34808 1 35 . 1 . 1 3 3 LYS CE C 13 41.617 . . . . . . . A 1641 LYS CE . 34808 1 36 . 1 . 1 3 3 LYS N N 15 121.422 . . . . . . . A 1641 LYS N . 34808 1 37 . 1 . 1 4 4 PRO HA H 1 4.466 . . . . . . . A 1642 PRO HA . 34808 1 38 . 1 . 1 4 4 PRO HB2 H 1 1.906 . . . . . . . A 1642 PRO HB2 . 34808 1 39 . 1 . 1 4 4 PRO HB3 H 1 2.244 . . . . . . . A 1642 PRO HB3 . 34808 1 40 . 1 . 1 4 4 PRO HG2 H 1 1.935 . . . . . . . A 1642 PRO HG2 . 34808 1 41 . 1 . 1 4 4 PRO HG3 H 1 2.017 . . . . . . . A 1642 PRO HG3 . 34808 1 42 . 1 . 1 4 4 PRO HD2 H 1 3.741 . . . . . . . A 1642 PRO HD2 . 34808 1 43 . 1 . 1 4 4 PRO HD3 H 1 3.618 . . . . . . . A 1642 PRO HD3 . 34808 1 44 . 1 . 1 4 4 PRO CA C 13 62.629 . . . . . . . A 1642 PRO CA . 34808 1 45 . 1 . 1 4 4 PRO CB C 13 30.809 . . . . . . . A 1642 PRO CB . 34808 1 46 . 1 . 1 4 4 PRO CG C 13 31.727 . . . . . . . A 1642 PRO CG . 34808 1 47 . 1 . 1 4 4 PRO CD C 13 49.640 . . . . . . . A 1642 PRO CD . 34808 1 48 . 1 . 1 5 5 LEU H H 1 7.627 . . . . . . . A 1643 LEU H . 34808 1 49 . 1 . 1 5 5 LEU HA H 1 4.446 . . . . . . . A 1643 LEU HA . 34808 1 50 . 1 . 1 5 5 LEU HB2 H 1 1.682 . . . . . . . A 1643 LEU HB2 . 34808 1 51 . 1 . 1 5 5 LEU HD11 H 1 0.967 . . . . . . . A 1643 LEU HD11 . 34808 1 52 . 1 . 1 5 5 LEU HD12 H 1 0.967 . . . . . . . A 1643 LEU HD12 . 34808 1 53 . 1 . 1 5 5 LEU HD13 H 1 0.967 . . . . . . . A 1643 LEU HD13 . 34808 1 54 . 1 . 1 5 5 LEU HD21 H 1 0.906 . . . . . . . A 1643 LEU HD21 . 34808 1 55 . 1 . 1 5 5 LEU HD22 H 1 0.906 . . . . . . . A 1643 LEU HD22 . 34808 1 56 . 1 . 1 5 5 LEU HD23 H 1 0.906 . . . . . . . A 1643 LEU HD23 . 34808 1 57 . 1 . 1 5 5 LEU CA C 13 54.417 . . . . . . . A 1643 LEU CA . 34808 1 58 . 1 . 1 5 5 LEU CB C 13 41.968 . . . . . . . A 1643 LEU CB . 34808 1 59 . 1 . 1 5 5 LEU CD1 C 13 23.449 . . . . . . . A 1643 LEU CD1 . 34808 1 60 . 1 . 1 5 5 LEU CD2 C 13 23.024 . . . . . . . A 1643 LEU CD2 . 34808 1 61 . 1 . 1 5 5 LEU N N 15 119.485 . . . . . . . A 1643 LEU N . 34808 1 62 . 1 . 1 6 6 LEU H H 1 7.589 . . . . . . . A 1644 LEU H . 34808 1 63 . 1 . 1 6 6 LEU HA H 1 4.346 . . . . . . . A 1644 LEU HA . 34808 1 64 . 1 . 1 6 6 LEU HB2 H 1 1.716 . . . . . . . A 1644 LEU HB2 . 34808 1 65 . 1 . 1 6 6 LEU HD11 H 1 0.982 . . . . . . . A 1644 LEU HD11 . 34808 1 66 . 1 . 1 6 6 LEU HD12 H 1 0.982 . . . . . . . A 1644 LEU HD12 . 34808 1 67 . 1 . 1 6 6 LEU HD13 H 1 0.982 . . . . . . . A 1644 LEU HD13 . 34808 1 68 . 1 . 1 6 6 LEU HD21 H 1 0.919 . . . . . . . A 1644 LEU HD21 . 34808 1 69 . 1 . 1 6 6 LEU HD22 H 1 0.919 . . . . . . . A 1644 LEU HD22 . 34808 1 70 . 1 . 1 6 6 LEU HD23 H 1 0.919 . . . . . . . A 1644 LEU HD23 . 34808 1 71 . 1 . 1 6 6 LEU CA C 13 57.916 . . . . . . . A 1644 LEU CA . 34808 1 72 . 1 . 1 6 6 LEU CB C 13 39.958 . . . . . . . A 1644 LEU CB . 34808 1 73 . 1 . 1 6 6 LEU CD1 C 13 22.965 . . . . . . . A 1644 LEU CD1 . 34808 1 74 . 1 . 1 6 6 LEU CD2 C 13 23.890 . . . . . . . A 1644 LEU CD2 . 34808 1 75 . 1 . 1 6 6 LEU N N 15 120.726 . . . . . . . A 1644 LEU N . 34808 1 76 . 1 . 1 7 7 PRO HA H 1 4.251 . . . . . . . A 1645 PRO HA . 34808 1 77 . 1 . 1 7 7 PRO HB2 H 1 1.798 . . . . . . . A 1645 PRO HB2 . 34808 1 78 . 1 . 1 7 7 PRO HB3 H 1 2.349 . . . . . . . A 1645 PRO HB3 . 34808 1 79 . 1 . 1 7 7 PRO HG2 H 1 1.960 . . . . . . . A 1645 PRO HG2 . 34808 1 80 . 1 . 1 7 7 PRO HG3 H 1 2.084 . . . . . . . A 1645 PRO HG3 . 34808 1 81 . 1 . 1 7 7 PRO HD2 H 1 3.592 . . . . . . . A 1645 PRO HD2 . 34808 1 82 . 1 . 1 7 7 PRO HD3 H 1 3.724 . . . . . . . A 1645 PRO HD3 . 34808 1 83 . 1 . 1 7 7 PRO CA C 13 65.336 . . . . . . . A 1645 PRO CA . 34808 1 84 . 1 . 1 7 7 PRO CB C 13 30.329 . . . . . . . A 1645 PRO CB . 34808 1 85 . 1 . 1 7 7 PRO CG C 13 27.280 . . . . . . . A 1645 PRO CG . 34808 1 86 . 1 . 1 7 7 PRO CD C 13 49.232 . . . . . . . A 1645 PRO CD . 34808 1 87 . 1 . 1 8 8 LEU H H 1 7.212 . . . . . . . A 1646 LEU H . 34808 1 88 . 1 . 1 8 8 LEU HA H 1 4.189 . . . . . . . A 1646 LEU HA . 34808 1 89 . 1 . 1 8 8 LEU HB2 H 1 1.859 . . . . . . . A 1646 LEU HB2 . 34808 1 90 . 1 . 1 8 8 LEU HG H 1 1.687 . . . . . . . A 1646 LEU HG . 34808 1 91 . 1 . 1 8 8 LEU HD11 H 1 0.968 . . . . . . . A 1646 LEU HD11 . 34808 1 92 . 1 . 1 8 8 LEU HD12 H 1 0.968 . . . . . . . A 1646 LEU HD12 . 34808 1 93 . 1 . 1 8 8 LEU HD13 H 1 0.968 . . . . . . . A 1646 LEU HD13 . 34808 1 94 . 1 . 1 8 8 LEU HD21 H 1 0.893 . . . . . . . A 1646 LEU HD21 . 34808 1 95 . 1 . 1 8 8 LEU HD22 H 1 0.893 . . . . . . . A 1646 LEU HD22 . 34808 1 96 . 1 . 1 8 8 LEU HD23 H 1 0.893 . . . . . . . A 1646 LEU HD23 . 34808 1 97 . 1 . 1 8 8 LEU CA C 13 56.806 . . . . . . . A 1646 LEU CA . 34808 1 98 . 1 . 1 8 8 LEU CB C 13 41.226 . . . . . . . A 1646 LEU CB . 34808 1 99 . 1 . 1 8 8 LEU CG C 13 26.502 . . . . . . . A 1646 LEU CG . 34808 1 100 . 1 . 1 8 8 LEU CD1 C 13 23.558 . . . . . . . A 1646 LEU CD1 . 34808 1 101 . 1 . 1 8 8 LEU CD2 C 13 23.655 . . . . . . . A 1646 LEU CD2 . 34808 1 102 . 1 . 1 8 8 LEU N N 15 115.324 . . . . . . . A 1646 LEU N . 34808 1 103 . 1 . 1 9 9 LEU H H 1 7.784 . . . . . . . A 1647 LEU H . 34808 1 104 . 1 . 1 9 9 LEU HA H 1 4.180 . . . . . . . A 1647 LEU HA . 34808 1 105 . 1 . 1 9 9 LEU HB2 H 1 1.636 . . . . . . . A 1647 LEU HB2 . 34808 1 106 . 1 . 1 9 9 LEU HB3 H 1 1.940 . . . . . . . A 1647 LEU HB3 . 34808 1 107 . 1 . 1 9 9 LEU HG H 1 1.746 . . . . . . . A 1647 LEU HG . 34808 1 108 . 1 . 1 9 9 LEU HD11 H 1 0.919 . . . . . . . A 1647 LEU HD11 . 34808 1 109 . 1 . 1 9 9 LEU HD12 H 1 0.919 . . . . . . . A 1647 LEU HD12 . 34808 1 110 . 1 . 1 9 9 LEU HD13 H 1 0.919 . . . . . . . A 1647 LEU HD13 . 34808 1 111 . 1 . 1 9 9 LEU HD21 H 1 0.877 . . . . . . . A 1647 LEU HD21 . 34808 1 112 . 1 . 1 9 9 LEU HD22 H 1 0.877 . . . . . . . A 1647 LEU HD22 . 34808 1 113 . 1 . 1 9 9 LEU HD23 H 1 0.877 . . . . . . . A 1647 LEU HD23 . 34808 1 114 . 1 . 1 9 9 LEU CA C 13 57.004 . . . . . . . A 1647 LEU CA . 34808 1 115 . 1 . 1 9 9 LEU CB C 13 41.110 . . . . . . . A 1647 LEU CB . 34808 1 116 . 1 . 1 9 9 LEU CG C 13 26.333 . . . . . . . A 1647 LEU CG . 34808 1 117 . 1 . 1 9 9 LEU CD1 C 13 23.890 . . . . . . . A 1647 LEU CD1 . 34808 1 118 . 1 . 1 9 9 LEU CD2 C 13 21.720 . . . . . . . A 1647 LEU CD2 . 34808 1 119 . 1 . 1 9 9 LEU N N 15 119.995 . . . . . . . A 1647 LEU N . 34808 1 120 . 1 . 1 10 10 VAL H H 1 7.997 . . . . . . . A 1648 VAL H . 34808 1 121 . 1 . 1 10 10 VAL HA H 1 3.721 . . . . . . . A 1648 VAL HA . 34808 1 122 . 1 . 1 10 10 VAL HB H 1 2.088 . . . . . . . A 1648 VAL HB . 34808 1 123 . 1 . 1 10 10 VAL HG11 H 1 0.940 . . . . . . . A 1648 VAL HG11 . 34808 1 124 . 1 . 1 10 10 VAL HG12 H 1 0.940 . . . . . . . A 1648 VAL HG12 . 34808 1 125 . 1 . 1 10 10 VAL HG13 H 1 0.940 . . . . . . . A 1648 VAL HG13 . 34808 1 126 . 1 . 1 10 10 VAL HG21 H 1 1.007 . . . . . . . A 1648 VAL HG21 . 34808 1 127 . 1 . 1 10 10 VAL HG22 H 1 1.007 . . . . . . . A 1648 VAL HG22 . 34808 1 128 . 1 . 1 10 10 VAL HG23 H 1 1.007 . . . . . . . A 1648 VAL HG23 . 34808 1 129 . 1 . 1 10 10 VAL CA C 13 65.361 . . . . . . . A 1648 VAL CA . 34808 1 130 . 1 . 1 10 10 VAL CB C 13 31.343 . . . . . . . A 1648 VAL CB . 34808 1 131 . 1 . 1 10 10 VAL CG1 C 13 19.841 . . . . . . . A 1648 VAL CG1 . 34808 1 132 . 1 . 1 10 10 VAL CG2 C 13 20.896 . . . . . . . A 1648 VAL CG2 . 34808 1 133 . 1 . 1 10 10 VAL N N 15 118.609 . . . . . . . A 1648 VAL N . 34808 1 134 . 1 . 1 11 11 ALA H H 1 7.917 . . . . . . . A 1649 ALA H . 34808 1 135 . 1 . 1 11 11 ALA HA H 1 4.079 . . . . . . . A 1649 ALA HA . 34808 1 136 . 1 . 1 11 11 ALA HB1 H 1 1.507 . . . . . . . A 1649 ALA HB1 . 34808 1 137 . 1 . 1 11 11 ALA HB2 H 1 1.507 . . . . . . . A 1649 ALA HB2 . 34808 1 138 . 1 . 1 11 11 ALA HB3 H 1 1.507 . . . . . . . A 1649 ALA HB3 . 34808 1 139 . 1 . 1 11 11 ALA CA C 13 54.515 . . . . . . . A 1649 ALA CA . 34808 1 140 . 1 . 1 11 11 ALA CB C 13 16.927 . . . . . . . A 1649 ALA CB . 34808 1 141 . 1 . 1 11 11 ALA N N 15 122.186 . . . . . . . A 1649 ALA N . 34808 1 142 . 1 . 1 12 12 GLY H H 1 7.967 . . . . . . . A 1650 GLY H . 34808 1 143 . 1 . 1 12 12 GLY HA2 H 1 3.868 . . . . . . . A 1650 GLY HA2 . 34808 1 144 . 1 . 1 12 12 GLY CA C 13 46.057 . . . . . . . A 1650 GLY CA . 34808 1 145 . 1 . 1 12 12 GLY N N 15 102.898 . . . . . . . A 1650 GLY N . 34808 1 146 . 1 . 1 13 13 ALA H H 1 7.805 . . . . . . . A 1651 ALA H . 34808 1 147 . 1 . 1 13 13 ALA HA H 1 4.193 . . . . . . . A 1651 ALA HA . 34808 1 148 . 1 . 1 13 13 ALA HB1 H 1 1.559 . . . . . . . A 1651 ALA HB1 . 34808 1 149 . 1 . 1 13 13 ALA HB2 H 1 1.559 . . . . . . . A 1651 ALA HB2 . 34808 1 150 . 1 . 1 13 13 ALA HB3 H 1 1.559 . . . . . . . A 1651 ALA HB3 . 34808 1 151 . 1 . 1 13 13 ALA CA C 13 54.300 . . . . . . . A 1651 ALA CA . 34808 1 152 . 1 . 1 13 13 ALA CB C 13 17.096 . . . . . . . A 1651 ALA CB . 34808 1 153 . 1 . 1 13 13 ALA N N 15 123.922 . . . . . . . A 1651 ALA N . 34808 1 154 . 1 . 1 14 14 VAL H H 1 8.050 . . . . . . . A 1652 VAL H . 34808 1 155 . 1 . 1 14 14 VAL HA H 1 3.710 . . . . . . . A 1652 VAL HA . 34808 1 156 . 1 . 1 14 14 VAL HB H 1 2.186 . . . . . . . A 1652 VAL HB . 34808 1 157 . 1 . 1 14 14 VAL HG11 H 1 1.056 . . . . . . . A 1652 VAL HG11 . 34808 1 158 . 1 . 1 14 14 VAL HG12 H 1 1.056 . . . . . . . A 1652 VAL HG12 . 34808 1 159 . 1 . 1 14 14 VAL HG13 H 1 1.056 . . . . . . . A 1652 VAL HG13 . 34808 1 160 . 1 . 1 14 14 VAL HG21 H 1 0.944 . . . . . . . A 1652 VAL HG21 . 34808 1 161 . 1 . 1 14 14 VAL HG22 H 1 0.944 . . . . . . . A 1652 VAL HG22 . 34808 1 162 . 1 . 1 14 14 VAL HG23 H 1 0.944 . . . . . . . A 1652 VAL HG23 . 34808 1 163 . 1 . 1 14 14 VAL CA C 13 65.684 . . . . . . . A 1652 VAL CA . 34808 1 164 . 1 . 1 14 14 VAL CB C 13 31.198 . . . . . . . A 1652 VAL CB . 34808 1 165 . 1 . 1 14 14 VAL CG1 C 13 21.238 . . . . . . . A 1652 VAL CG1 . 34808 1 166 . 1 . 1 14 14 VAL CG2 C 13 19.841 . . . . . . . A 1652 VAL CG2 . 34808 1 167 . 1 . 1 14 14 VAL N N 15 118.111 . . . . . . . A 1652 VAL N . 34808 1 168 . 1 . 1 15 15 LEU H H 1 7.881 . . . . . . . A 1653 LEU H . 34808 1 169 . 1 . 1 15 15 LEU HA H 1 4.087 . . . . . . . A 1653 LEU HA . 34808 1 170 . 1 . 1 15 15 LEU HB2 H 1 1.756 . . . . . . . A 1653 LEU HB2 . 34808 1 171 . 1 . 1 15 15 LEU HD11 H 1 0.944 . . . . . . . A 1653 LEU HD11 . 34808 1 172 . 1 . 1 15 15 LEU HD12 H 1 0.944 . . . . . . . A 1653 LEU HD12 . 34808 1 173 . 1 . 1 15 15 LEU HD13 H 1 0.944 . . . . . . . A 1653 LEU HD13 . 34808 1 174 . 1 . 1 15 15 LEU HD21 H 1 0.902 . . . . . . . A 1653 LEU HD21 . 34808 1 175 . 1 . 1 15 15 LEU HD22 H 1 0.902 . . . . . . . A 1653 LEU HD22 . 34808 1 176 . 1 . 1 15 15 LEU HD23 H 1 0.902 . . . . . . . A 1653 LEU HD23 . 34808 1 177 . 1 . 1 15 15 LEU CA C 13 57.480 . . . . . . . A 1653 LEU CA . 34808 1 178 . 1 . 1 15 15 LEU CB C 13 41.051 . . . . . . . A 1653 LEU CB . 34808 1 179 . 1 . 1 15 15 LEU CD1 C 13 22.828 . . . . . . . A 1653 LEU CD1 . 34808 1 180 . 1 . 1 15 15 LEU CD2 C 13 22.409 . . . . . . . A 1653 LEU CD2 . 34808 1 181 . 1 . 1 15 15 LEU N N 15 119.128 . . . . . . . A 1653 LEU N . 34808 1 182 . 1 . 1 16 16 LEU H H 1 7.613 . . . . . . . A 1654 LEU H . 34808 1 183 . 1 . 1 16 16 LEU HA H 1 4.131 . . . . . . . A 1654 LEU HA . 34808 1 184 . 1 . 1 16 16 LEU HB2 H 1 1.823 . . . . . . . A 1654 LEU HB2 . 34808 1 185 . 1 . 1 16 16 LEU HB3 H 1 1.939 . . . . . . . A 1654 LEU HB3 . 34808 1 186 . 1 . 1 16 16 LEU HD11 H 1 0.936 . . . . . . . A 1654 LEU HD11 . 34808 1 187 . 1 . 1 16 16 LEU HD12 H 1 0.936 . . . . . . . A 1654 LEU HD12 . 34808 1 188 . 1 . 1 16 16 LEU HD13 H 1 0.936 . . . . . . . A 1654 LEU HD13 . 34808 1 189 . 1 . 1 16 16 LEU HD21 H 1 0.898 . . . . . . . A 1654 LEU HD21 . 34808 1 190 . 1 . 1 16 16 LEU HD22 H 1 0.898 . . . . . . . A 1654 LEU HD22 . 34808 1 191 . 1 . 1 16 16 LEU HD23 H 1 0.898 . . . . . . . A 1654 LEU HD23 . 34808 1 192 . 1 . 1 16 16 LEU CA C 13 57.625 . . . . . . . A 1654 LEU CA . 34808 1 193 . 1 . 1 16 16 LEU CB C 13 41.079 . . . . . . . A 1654 LEU CB . 34808 1 194 . 1 . 1 16 16 LEU CD1 C 13 22.538 . . . . . . . A 1654 LEU CD1 . 34808 1 195 . 1 . 1 16 16 LEU CD2 C 13 22.876 . . . . . . . A 1654 LEU CD2 . 34808 1 196 . 1 . 1 16 16 LEU N N 15 118.588 . . . . . . . A 1654 LEU N . 34808 1 197 . 1 . 1 17 17 LEU H H 1 7.614 . . . . . . . A 1655 LEU H . 34808 1 198 . 1 . 1 17 17 LEU HA H 1 4.087 . . . . . . . A 1655 LEU HA . 34808 1 199 . 1 . 1 17 17 LEU HB2 H 1 1.759 . . . . . . . A 1655 LEU HB2 . 34808 1 200 . 1 . 1 17 17 LEU HD11 H 1 0.934 . . . . . . . A 1655 LEU HD11 . 34808 1 201 . 1 . 1 17 17 LEU HD12 H 1 0.934 . . . . . . . A 1655 LEU HD12 . 34808 1 202 . 1 . 1 17 17 LEU HD13 H 1 0.934 . . . . . . . A 1655 LEU HD13 . 34808 1 203 . 1 . 1 17 17 LEU HD21 H 1 0.899 . . . . . . . A 1655 LEU HD21 . 34808 1 204 . 1 . 1 17 17 LEU HD22 H 1 0.899 . . . . . . . A 1655 LEU HD22 . 34808 1 205 . 1 . 1 17 17 LEU HD23 H 1 0.899 . . . . . . . A 1655 LEU HD23 . 34808 1 206 . 1 . 1 17 17 LEU CA C 13 57.480 . . . . . . . A 1655 LEU CA . 34808 1 207 . 1 . 1 17 17 LEU CB C 13 41.051 . . . . . . . A 1655 LEU CB . 34808 1 208 . 1 . 1 17 17 LEU CD1 C 13 23.067 . . . . . . . A 1655 LEU CD1 . 34808 1 209 . 1 . 1 17 17 LEU N N 15 116.576 . . . . . . . A 1655 LEU N . 34808 1 210 . 1 . 1 18 18 VAL H H 1 8.151 . . . . . . . A 1656 VAL H . 34808 1 211 . 1 . 1 18 18 VAL HA H 1 3.566 . . . . . . . A 1656 VAL HA . 34808 1 212 . 1 . 1 18 18 VAL HB H 1 2.361 . . . . . . . A 1656 VAL HB . 34808 1 213 . 1 . 1 18 18 VAL HG11 H 1 1.077 . . . . . . . A 1656 VAL HG11 . 34808 1 214 . 1 . 1 18 18 VAL HG12 H 1 1.077 . . . . . . . A 1656 VAL HG12 . 34808 1 215 . 1 . 1 18 18 VAL HG13 H 1 1.077 . . . . . . . A 1656 VAL HG13 . 34808 1 216 . 1 . 1 18 18 VAL HG21 H 1 0.937 . . . . . . . A 1656 VAL HG21 . 34808 1 217 . 1 . 1 18 18 VAL HG22 H 1 0.937 . . . . . . . A 1656 VAL HG22 . 34808 1 218 . 1 . 1 18 18 VAL HG23 H 1 0.937 . . . . . . . A 1656 VAL HG23 . 34808 1 219 . 1 . 1 18 18 VAL CA C 13 66.569 . . . . . . . A 1656 VAL CA . 34808 1 220 . 1 . 1 18 18 VAL CB C 13 31.057 . . . . . . . A 1656 VAL CB . 34808 1 221 . 1 . 1 18 18 VAL CG1 C 13 21.451 . . . . . . . A 1656 VAL CG1 . 34808 1 222 . 1 . 1 18 18 VAL CG2 C 13 19.841 . . . . . . . A 1656 VAL CG2 . 34808 1 223 . 1 . 1 18 18 VAL N N 15 118.348 . . . . . . . A 1656 VAL N . 34808 1 224 . 1 . 1 19 19 ILE H H 1 8.221 . . . . . . . A 1657 ILE H . 34808 1 225 . 1 . 1 19 19 ILE HA H 1 3.723 . . . . . . . A 1657 ILE HA . 34808 1 226 . 1 . 1 19 19 ILE HB H 1 2.081 . . . . . . . A 1657 ILE HB . 34808 1 227 . 1 . 1 19 19 ILE HG12 H 1 1.238 . . . . . . . A 1657 ILE HG12 . 34808 1 228 . 1 . 1 19 19 ILE HG21 H 1 0.940 . . . . . . . A 1657 ILE HG21 . 34808 1 229 . 1 . 1 19 19 ILE HG22 H 1 0.940 . . . . . . . A 1657 ILE HG22 . 34808 1 230 . 1 . 1 19 19 ILE HG23 H 1 0.940 . . . . . . . A 1657 ILE HG23 . 34808 1 231 . 1 . 1 19 19 ILE HD11 H 1 0.845 . . . . . . . A 1657 ILE HD11 . 34808 1 232 . 1 . 1 19 19 ILE HD12 H 1 0.845 . . . . . . . A 1657 ILE HD12 . 34808 1 233 . 1 . 1 19 19 ILE HD13 H 1 0.845 . . . . . . . A 1657 ILE HD13 . 34808 1 234 . 1 . 1 19 19 ILE CA C 13 65.361 . . . . . . . A 1657 ILE CA . 34808 1 235 . 1 . 1 19 19 ILE CB C 13 37.215 . . . . . . . A 1657 ILE CB . 34808 1 236 . 1 . 1 19 19 ILE CG1 C 13 30.911 . . . . . . . A 1657 ILE CG1 . 34808 1 237 . 1 . 1 19 19 ILE CG2 C 13 16.050 . . . . . . . A 1657 ILE CG2 . 34808 1 238 . 1 . 1 19 19 ILE CD1 C 13 11.510 . . . . . . . A 1657 ILE CD1 . 34808 1 239 . 1 . 1 19 19 ILE N N 15 118.511 . . . . . . . A 1657 ILE N . 34808 1 240 . 1 . 1 20 20 LEU H H 1 8.330 . . . . . . . A 1658 LEU H . 34808 1 241 . 1 . 1 20 20 LEU HA H 1 4.196 . . . . . . . A 1658 LEU HA . 34808 1 242 . 1 . 1 20 20 LEU HB2 H 1 1.710 . . . . . . . A 1658 LEU HB2 . 34808 1 243 . 1 . 1 20 20 LEU HB3 H 1 2.020 . . . . . . . A 1658 LEU HB3 . 34808 1 244 . 1 . 1 20 20 LEU HG H 1 1.866 . . . . . . . A 1658 LEU HG . 34808 1 245 . 1 . 1 20 20 LEU HD11 H 1 0.888 . . . . . . . A 1658 LEU HD11 . 34808 1 246 . 1 . 1 20 20 LEU HD12 H 1 0.888 . . . . . . . A 1658 LEU HD12 . 34808 1 247 . 1 . 1 20 20 LEU HD13 H 1 0.888 . . . . . . . A 1658 LEU HD13 . 34808 1 248 . 1 . 1 20 20 LEU CA C 13 57.690 . . . . . . . A 1658 LEU CA . 34808 1 249 . 1 . 1 20 20 LEU CB C 13 41.322 . . . . . . . A 1658 LEU CB . 34808 1 250 . 1 . 1 20 20 LEU CG C 13 26.168 . . . . . . . A 1658 LEU CG . 34808 1 251 . 1 . 1 20 20 LEU CD1 C 13 22.108 . . . . . . . A 1658 LEU CD1 . 34808 1 252 . 1 . 1 20 20 LEU N N 15 121.800 . . . . . . . A 1658 LEU N . 34808 1 253 . 1 . 1 21 21 VAL H H 1 8.531 . . . . . . . A 1659 VAL H . 34808 1 254 . 1 . 1 21 21 VAL HA H 1 3.695 . . . . . . . A 1659 VAL HA . 34808 1 255 . 1 . 1 21 21 VAL HB H 1 2.268 . . . . . . . A 1659 VAL HB . 34808 1 256 . 1 . 1 21 21 VAL HG11 H 1 1.080 . . . . . . . A 1659 VAL HG11 . 34808 1 257 . 1 . 1 21 21 VAL HG12 H 1 1.080 . . . . . . . A 1659 VAL HG12 . 34808 1 258 . 1 . 1 21 21 VAL HG13 H 1 1.080 . . . . . . . A 1659 VAL HG13 . 34808 1 259 . 1 . 1 21 21 VAL HG21 H 1 0.965 . . . . . . . A 1659 VAL HG21 . 34808 1 260 . 1 . 1 21 21 VAL HG22 H 1 0.965 . . . . . . . A 1659 VAL HG22 . 34808 1 261 . 1 . 1 21 21 VAL HG23 H 1 0.965 . . . . . . . A 1659 VAL HG23 . 34808 1 262 . 1 . 1 21 21 VAL CA C 13 66.249 . . . . . . . A 1659 VAL CA . 34808 1 263 . 1 . 1 21 21 VAL CB C 13 31.191 . . . . . . . A 1659 VAL CB . 34808 1 264 . 1 . 1 21 21 VAL CG1 C 13 21.451 . . . . . . . A 1659 VAL CG1 . 34808 1 265 . 1 . 1 21 21 VAL CG2 C 13 20.133 . . . . . . . A 1659 VAL CG2 . 34808 1 266 . 1 . 1 21 21 VAL N N 15 119.776 . . . . . . . A 1659 VAL N . 34808 1 267 . 1 . 1 22 22 LEU H H 1 8.749 . . . . . . . A 1660 LEU H . 34808 1 268 . 1 . 1 22 22 LEU HA H 1 4.164 . . . . . . . A 1660 LEU HA . 34808 1 269 . 1 . 1 22 22 LEU HB2 H 1 1.599 . . . . . . . A 1660 LEU HB2 . 34808 1 270 . 1 . 1 22 22 LEU HB3 H 1 1.915 . . . . . . . A 1660 LEU HB3 . 34808 1 271 . 1 . 1 22 22 LEU HD11 H 1 0.869 . . . . . . . A 1660 LEU HD11 . 34808 1 272 . 1 . 1 22 22 LEU HD12 H 1 0.869 . . . . . . . A 1660 LEU HD12 . 34808 1 273 . 1 . 1 22 22 LEU HD13 H 1 0.869 . . . . . . . A 1660 LEU HD13 . 34808 1 274 . 1 . 1 22 22 LEU CA C 13 57.637 . . . . . . . A 1660 LEU CA . 34808 1 275 . 1 . 1 22 22 LEU CB C 13 41.062 . . . . . . . A 1660 LEU CB . 34808 1 276 . 1 . 1 22 22 LEU CD1 C 13 23.619 . . . . . . . A 1660 LEU CD1 . 34808 1 277 . 1 . 1 22 22 LEU N N 15 120.233 . . . . . . . A 1660 LEU N . 34808 1 278 . 1 . 1 23 23 GLY H H 1 8.139 . . . . . . . A 1661 GLY H . 34808 1 279 . 1 . 1 23 23 GLY HA2 H 1 3.974 . . . . . . . A 1661 GLY HA2 . 34808 1 280 . 1 . 1 23 23 GLY HA3 H 1 3.798 . . . . . . . A 1661 GLY HA3 . 34808 1 281 . 1 . 1 23 23 GLY CA C 13 46.601 . . . . . . . A 1661 GLY CA . 34808 1 282 . 1 . 1 23 23 GLY N N 15 105.063 . . . . . . . A 1661 GLY N . 34808 1 283 . 1 . 1 24 24 VAL H H 1 7.955 . . . . . . . A 1662 VAL H . 34808 1 284 . 1 . 1 24 24 VAL HA H 1 3.766 . . . . . . . A 1662 VAL HA . 34808 1 285 . 1 . 1 24 24 VAL HB H 1 2.343 . . . . . . . A 1662 VAL HB . 34808 1 286 . 1 . 1 24 24 VAL HG11 H 1 1.096 . . . . . . . A 1662 VAL HG11 . 34808 1 287 . 1 . 1 24 24 VAL HG12 H 1 1.096 . . . . . . . A 1662 VAL HG12 . 34808 1 288 . 1 . 1 24 24 VAL HG13 H 1 1.096 . . . . . . . A 1662 VAL HG13 . 34808 1 289 . 1 . 1 24 24 VAL HG21 H 1 0.968 . . . . . . . A 1662 VAL HG21 . 34808 1 290 . 1 . 1 24 24 VAL HG22 H 1 0.968 . . . . . . . A 1662 VAL HG22 . 34808 1 291 . 1 . 1 24 24 VAL HG23 H 1 0.968 . . . . . . . A 1662 VAL HG23 . 34808 1 292 . 1 . 1 24 24 VAL CA C 13 65.737 . . . . . . . A 1662 VAL CA . 34808 1 293 . 1 . 1 24 24 VAL CB C 13 31.085 . . . . . . . A 1662 VAL CB . 34808 1 294 . 1 . 1 24 24 VAL CG1 C 13 21.320 . . . . . . . A 1662 VAL CG1 . 34808 1 295 . 1 . 1 24 24 VAL CG2 C 13 20.133 . . . . . . . A 1662 VAL CG2 . 34808 1 296 . 1 . 1 24 24 VAL N N 15 122.319 . . . . . . . A 1662 VAL N . 34808 1 297 . 1 . 1 25 25 MET H H 1 8.293 . . . . . . . A 1663 MET H . 34808 1 298 . 1 . 1 25 25 MET HA H 1 4.147 . . . . . . . A 1663 MET HA . 34808 1 299 . 1 . 1 25 25 MET HB2 H 1 2.397 . . . . . . . A 1663 MET HB2 . 34808 1 300 . 1 . 1 25 25 MET HB3 H 1 2.134 . . . . . . . A 1663 MET HB3 . 34808 1 301 . 1 . 1 25 25 MET HG2 H 1 2.769 . . . . . . . A 1663 MET HG2 . 34808 1 302 . 1 . 1 25 25 MET HG3 H 1 2.601 . . . . . . . A 1663 MET HG3 . 34808 1 303 . 1 . 1 25 25 MET CA C 13 58.389 . . . . . . . A 1663 MET CA . 34808 1 304 . 1 . 1 25 25 MET CB C 13 31.450 . . . . . . . A 1663 MET CB . 34808 1 305 . 1 . 1 25 25 MET CG C 13 31.774 . . . . . . . A 1663 MET CG . 34808 1 306 . 1 . 1 25 25 MET N N 15 118.799 . . . . . . . A 1663 MET N . 34808 1 307 . 1 . 1 26 26 VAL H H 1 8.468 . . . . . . . A 1664 VAL H . 34808 1 308 . 1 . 1 26 26 VAL HA H 1 3.682 . . . . . . . A 1664 VAL HA . 34808 1 309 . 1 . 1 26 26 VAL HB H 1 2.200 . . . . . . . A 1664 VAL HB . 34808 1 310 . 1 . 1 26 26 VAL HG11 H 1 1.082 . . . . . . . A 1664 VAL HG11 . 34808 1 311 . 1 . 1 26 26 VAL HG12 H 1 1.082 . . . . . . . A 1664 VAL HG12 . 34808 1 312 . 1 . 1 26 26 VAL HG13 H 1 1.082 . . . . . . . A 1664 VAL HG13 . 34808 1 313 . 1 . 1 26 26 VAL HG21 H 1 0.955 . . . . . . . A 1664 VAL HG21 . 34808 1 314 . 1 . 1 26 26 VAL HG22 H 1 0.955 . . . . . . . A 1664 VAL HG22 . 34808 1 315 . 1 . 1 26 26 VAL HG23 H 1 0.955 . . . . . . . A 1664 VAL HG23 . 34808 1 316 . 1 . 1 26 26 VAL CA C 13 65.839 . . . . . . . A 1664 VAL CA . 34808 1 317 . 1 . 1 26 26 VAL CB C 13 31.197 . . . . . . . A 1664 VAL CB . 34808 1 318 . 1 . 1 26 26 VAL CG1 C 13 21.451 . . . . . . . A 1664 VAL CG1 . 34808 1 319 . 1 . 1 26 26 VAL CG2 C 13 20.133 . . . . . . . A 1664 VAL CG2 . 34808 1 320 . 1 . 1 26 26 VAL N N 15 118.639 . . . . . . . A 1664 VAL N . 34808 1 321 . 1 . 1 27 27 ALA H H 1 7.917 . . . . . . . A 1665 ALA H . 34808 1 322 . 1 . 1 27 27 ALA HA H 1 4.078 . . . . . . . A 1665 ALA HA . 34808 1 323 . 1 . 1 27 27 ALA HB1 H 1 1.549 . . . . . . . A 1665 ALA HB1 . 34808 1 324 . 1 . 1 27 27 ALA HB2 H 1 1.549 . . . . . . . A 1665 ALA HB2 . 34808 1 325 . 1 . 1 27 27 ALA HB3 H 1 1.549 . . . . . . . A 1665 ALA HB3 . 34808 1 326 . 1 . 1 27 27 ALA CA C 13 54.515 . . . . . . . A 1665 ALA CA . 34808 1 327 . 1 . 1 27 27 ALA CB C 13 17.096 . . . . . . . A 1665 ALA CB . 34808 1 328 . 1 . 1 27 27 ALA N N 15 120.708 . . . . . . . A 1665 ALA N . 34808 1 329 . 1 . 1 28 28 LYS H H 1 8.275 . . . . . . . A 1666 LYS H . 34808 1 330 . 1 . 1 28 28 LYS HA H 1 4.132 . . . . . . . A 1666 LYS HA . 34808 1 331 . 1 . 1 28 28 LYS HB2 H 1 1.944 . . . . . . . A 1666 LYS HB2 . 34808 1 332 . 1 . 1 28 28 LYS HB3 H 1 2.010 . . . . . . . A 1666 LYS HB3 . 34808 1 333 . 1 . 1 28 28 LYS HG2 H 1 1.545 . . . . . . . A 1666 LYS HG2 . 34808 1 334 . 1 . 1 28 28 LYS HG3 H 1 1.646 . . . . . . . A 1666 LYS HG3 . 34808 1 335 . 1 . 1 28 28 LYS HD2 H 1 1.712 . . . . . . . A 1666 LYS HD2 . 34808 1 336 . 1 . 1 28 28 LYS HE2 H 1 2.977 . . . . . . . A 1666 LYS HE2 . 34808 1 337 . 1 . 1 28 28 LYS CA C 13 57.625 . . . . . . . A 1666 LYS CA . 34808 1 338 . 1 . 1 28 28 LYS CB C 13 31.757 . . . . . . . A 1666 LYS CB . 34808 1 339 . 1 . 1 28 28 LYS CG C 13 24.395 . . . . . . . A 1666 LYS CG . 34808 1 340 . 1 . 1 28 28 LYS CD C 13 28.290 . . . . . . . A 1666 LYS CD . 34808 1 341 . 1 . 1 28 28 LYS CE C 13 41.575 . . . . . . . A 1666 LYS CE . 34808 1 342 . 1 . 1 28 28 LYS N N 15 116.912 . . . . . . . A 1666 LYS N . 34808 1 343 . 1 . 1 29 29 LYS H H 1 8.023 . . . . . . . A 1667 LYS H . 34808 1 344 . 1 . 1 29 29 LYS HA H 1 4.206 . . . . . . . A 1667 LYS HA . 34808 1 345 . 1 . 1 29 29 LYS HB2 H 1 1.973 . . . . . . . A 1667 LYS HB2 . 34808 1 346 . 1 . 1 29 29 LYS HG2 H 1 1.512 . . . . . . . A 1667 LYS HG2 . 34808 1 347 . 1 . 1 29 29 LYS HG3 H 1 1.605 . . . . . . . A 1667 LYS HG3 . 34808 1 348 . 1 . 1 29 29 LYS HD2 H 1 1.728 . . . . . . . A 1667 LYS HD2 . 34808 1 349 . 1 . 1 29 29 LYS HE2 H 1 2.995 . . . . . . . A 1667 LYS HE2 . 34808 1 350 . 1 . 1 29 29 LYS CA C 13 57.105 . . . . . . . A 1667 LYS CA . 34808 1 351 . 1 . 1 29 29 LYS CB C 13 31.856 . . . . . . . A 1667 LYS CB . 34808 1 352 . 1 . 1 29 29 LYS CG C 13 24.250 . . . . . . . A 1667 LYS CG . 34808 1 353 . 1 . 1 29 29 LYS CD C 13 28.324 . . . . . . . A 1667 LYS CD . 34808 1 354 . 1 . 1 29 29 LYS CE C 13 41.575 . . . . . . . A 1667 LYS CE . 34808 1 355 . 1 . 1 29 29 LYS N N 15 119.217 . . . . . . . A 1667 LYS N . 34808 1 356 . 1 . 1 30 30 LYS H H 1 8.133 . . . . . . . A 1668 LYS H . 34808 1 357 . 1 . 1 30 30 LYS HA H 1 4.217 . . . . . . . A 1668 LYS HA . 34808 1 358 . 1 . 1 30 30 LYS HB2 H 1 1.906 . . . . . . . A 1668 LYS HB2 . 34808 1 359 . 1 . 1 30 30 LYS HG2 H 1 1.589 . . . . . . . A 1668 LYS HG2 . 34808 1 360 . 1 . 1 30 30 LYS HD2 H 1 1.710 . . . . . . . A 1668 LYS HD2 . 34808 1 361 . 1 . 1 30 30 LYS HE2 H 1 2.984 . . . . . . . A 1668 LYS HE2 . 34808 1 362 . 1 . 1 30 30 LYS CA C 13 56.230 . . . . . . . A 1668 LYS CA . 34808 1 363 . 1 . 1 30 30 LYS CB C 13 32.160 . . . . . . . A 1668 LYS CB . 34808 1 364 . 1 . 1 30 30 LYS CG C 13 24.193 . . . . . . . A 1668 LYS CG . 34808 1 365 . 1 . 1 30 30 LYS CD C 13 28.290 . . . . . . . A 1668 LYS CD . 34808 1 366 . 1 . 1 30 30 LYS CE C 13 41.575 . . . . . . . A 1668 LYS CE . 34808 1 367 . 1 . 1 30 30 LYS N N 15 119.264 . . . . . . . A 1668 LYS N . 34808 1 stop_ save_