data_25858 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25858 _Entry.Title ; Solution Structure of Lacticin Q and Aureocin A53 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-22 _Entry.Accession_date 2015-10-22 _Entry.Last_release_date 2016-02-15 _Entry.Original_release_date 2016-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Jeella Acedo . Z. . . 25858 2 Marco 'van Belkum' . J . . 25858 3 Christopher Lohans . T. . . 25858 4 Kaitlyn Towle . M. . . 25858 5 Mark Miskolzie . . . . 25858 6 John Vederas . C. . . 25858 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25858 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antimicrobial peptide' . 25858 'leaderless bacteriocin' . 25858 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25858 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 391 25858 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-02-15 . original BMRB . 25858 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25857 'Aureocin A53' 25858 PDB 2N8P 'BMRB Entry Tracking System' 25858 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25858 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26771761 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Solution Structures of Lacticin Q and Aureocin A53 Reveal a Structural Motif Conserved among Leaderless Bacteriocins with Broad-Spectrum Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 733 _Citation.Page_last 742 _Citation.Year 2016 _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 Jeella Acedo . Z. . . 25858 1 2 Marco 'van Belkum' . J . . 25858 1 3 Christopher Lohans . T. . . 25858 1 4 Kaitlyn Towle . M. . . 25858 1 5 Mark Miskolzie . . . . 25858 1 6 John Vederas . C. . . 25858 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25858 _Assembly.ID 1 _Assembly.Name 'Lacticin Q' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Lacticin Q' 1 $Lacticin_Q A . yes native no no . . . 25858 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lacticin_Q _Entity.Sf_category entity _Entity.Sf_framecode Lacticin_Q _Entity.Entry_ID 25858 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lacticin_Q _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 ; MAGFLKVVQLLAKYGSKAVQ WAWANKGKILDWLNAGQAID WVVSKIKQILGIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5906.144 _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 1 MET . 25858 1 2 2 ALA . 25858 1 3 3 GLY . 25858 1 4 4 PHE . 25858 1 5 5 LEU . 25858 1 6 6 LYS . 25858 1 7 7 VAL . 25858 1 8 8 VAL . 25858 1 9 9 GLN . 25858 1 10 10 LEU . 25858 1 11 11 LEU . 25858 1 12 12 ALA . 25858 1 13 13 LYS . 25858 1 14 14 TYR . 25858 1 15 15 GLY . 25858 1 16 16 SER . 25858 1 17 17 LYS . 25858 1 18 18 ALA . 25858 1 19 19 VAL . 25858 1 20 20 GLN . 25858 1 21 21 TRP . 25858 1 22 22 ALA . 25858 1 23 23 TRP . 25858 1 24 24 ALA . 25858 1 25 25 ASN . 25858 1 26 26 LYS . 25858 1 27 27 GLY . 25858 1 28 28 LYS . 25858 1 29 29 ILE . 25858 1 30 30 LEU . 25858 1 31 31 ASP . 25858 1 32 32 TRP . 25858 1 33 33 LEU . 25858 1 34 34 ASN . 25858 1 35 35 ALA . 25858 1 36 36 GLY . 25858 1 37 37 GLN . 25858 1 38 38 ALA . 25858 1 39 39 ILE . 25858 1 40 40 ASP . 25858 1 41 41 TRP . 25858 1 42 42 VAL . 25858 1 43 43 VAL . 25858 1 44 44 SER . 25858 1 45 45 LYS . 25858 1 46 46 ILE . 25858 1 47 47 LYS . 25858 1 48 48 GLN . 25858 1 49 49 ILE . 25858 1 50 50 LEU . 25858 1 51 51 GLY . 25858 1 52 52 ILE . 25858 1 53 53 LYS . 25858 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25858 1 . ALA 2 2 25858 1 . GLY 3 3 25858 1 . PHE 4 4 25858 1 . LEU 5 5 25858 1 . LYS 6 6 25858 1 . VAL 7 7 25858 1 . VAL 8 8 25858 1 . GLN 9 9 25858 1 . LEU 10 10 25858 1 . LEU 11 11 25858 1 . ALA 12 12 25858 1 . LYS 13 13 25858 1 . TYR 14 14 25858 1 . GLY 15 15 25858 1 . SER 16 16 25858 1 . LYS 17 17 25858 1 . ALA 18 18 25858 1 . VAL 19 19 25858 1 . GLN 20 20 25858 1 . TRP 21 21 25858 1 . ALA 22 22 25858 1 . TRP 23 23 25858 1 . ALA 24 24 25858 1 . ASN 25 25 25858 1 . LYS 26 26 25858 1 . GLY 27 27 25858 1 . LYS 28 28 25858 1 . ILE 29 29 25858 1 . LEU 30 30 25858 1 . ASP 31 31 25858 1 . TRP 32 32 25858 1 . LEU 33 33 25858 1 . ASN 34 34 25858 1 . ALA 35 35 25858 1 . GLY 36 36 25858 1 . GLN 37 37 25858 1 . ALA 38 38 25858 1 . ILE 39 39 25858 1 . ASP 40 40 25858 1 . TRP 41 41 25858 1 . VAL 42 42 25858 1 . VAL 43 43 25858 1 . SER 44 44 25858 1 . LYS 45 45 25858 1 . ILE 46 46 25858 1 . LYS 47 47 25858 1 . GLN 48 48 25858 1 . ILE 49 49 25858 1 . LEU 50 50 25858 1 . GLY 51 51 25858 1 . ILE 52 52 25858 1 . LYS 53 53 25858 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 25858 _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 $Lacticin_Q . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria Eubacteria Lactococcus lactis . . . . . . . . . . . . . 25858 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 25858 _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 $Lacticin_Q . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-SUMO . . . 25858 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25858 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'Lacticin Q' 'natural abundance' . . 1 $Lacticin_Q . . 0.8 . . mM . . . . 25858 1 2 DSS 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 25858 1 3 TFE '[U-99% 2H]' . . . . . . 25 . . % . . . . 25858 1 4 H2O 'natural abundance' . . . . . . 75 . . % . . . . 25858 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 25858 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25858 1 pH 6 . pH 25858 1 pressure 1 . atm 25858 1 temperature 273 . K 25858 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25858 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25858 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25858 1 'structure solution' 25858 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25858 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model vNMRJ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25858 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian vNMRJ . 700 . . . 25858 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 25858 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25858 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25858 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25858 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25858 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25858 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25858 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 TOCSY' . . . 25858 1 2 '2D 1H-1H NOESY' . . . 25858 1 3 '2D DQF-COSY' . . . 25858 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.1811 0.0200 . 1 . . . A 1 MET HA . 25858 1 2 . 1 1 1 1 MET HB2 H 1 2.2509 0.0200 . 2 . . . A 1 MET HB2 . 25858 1 3 . 1 1 1 1 MET HB3 H 1 2.2010 0.0200 . 2 . . . A 1 MET HB3 . 25858 1 4 . 1 1 1 1 MET HG2 H 1 2.6915 0.0200 . 2 . . . A 1 MET HG2 . 25858 1 5 . 1 1 1 1 MET HG3 H 1 2.6331 0.0200 . 2 . . . A 1 MET HG3 . 25858 1 6 . 1 1 2 2 ALA H H 1 8.7769 0.0200 . 1 . . . A 2 ALA H . 25858 1 7 . 1 1 2 2 ALA HA H 1 4.4491 0.0200 . 1 . . . A 2 ALA HA . 25858 1 8 . 1 1 2 2 ALA HB1 H 1 1.5353 0.0200 . 1 . . . A 2 ALA HB1 . 25858 1 9 . 1 1 2 2 ALA HB2 H 1 1.5353 0.0200 . 1 . . . A 2 ALA HB2 . 25858 1 10 . 1 1 2 2 ALA HB3 H 1 1.5353 0.0200 . 1 . . . A 2 ALA HB3 . 25858 1 11 . 1 1 3 3 GLY H H 1 8.6400 0.0200 . 1 . . . A 3 GLY H . 25858 1 12 . 1 1 3 3 GLY HA2 H 1 3.9832 0.0200 . 2 . . . A 3 GLY HA2 . 25858 1 13 . 1 1 3 3 GLY HA3 H 1 3.8833 0.0200 . 2 . . . A 3 GLY HA3 . 25858 1 14 . 1 1 4 4 PHE H H 1 8.3090 0.0200 . 1 . . . A 4 PHE H . 25858 1 15 . 1 1 4 4 PHE HA H 1 4.0472 0.0200 . 1 . . . A 4 PHE HA . 25858 1 16 . 1 1 4 4 PHE HB2 H 1 3.1524 0.0200 . 2 . . . A 4 PHE HB2 . 25858 1 17 . 1 1 4 4 PHE HB3 H 1 2.9015 0.0200 . 2 . . . A 4 PHE HB3 . 25858 1 18 . 1 1 4 4 PHE HD1 H 1 6.9755 0.0200 . 3 . . . A 4 PHE HD1 . 25858 1 19 . 1 1 4 4 PHE HD2 H 1 6.9747 0.0200 . 3 . . . A 4 PHE HD2 . 25858 1 20 . 1 1 4 4 PHE HE1 H 1 6.8393 0.0200 . 3 . . . A 4 PHE HE1 . 25858 1 21 . 1 1 4 4 PHE HE2 H 1 6.8466 0.0200 . 3 . . . A 4 PHE HE2 . 25858 1 22 . 1 1 4 4 PHE HZ H 1 6.6255 0.0200 . 1 . . . A 4 PHE HZ . 25858 1 23 . 1 1 5 5 LEU H H 1 7.5216 0.0200 . 1 . . . A 5 LEU H . 25858 1 24 . 1 1 5 5 LEU HA H 1 3.9122 0.0200 . 1 . . . A 5 LEU HA . 25858 1 25 . 1 1 5 5 LEU HB2 H 1 1.8421 0.0200 . 2 . . . A 5 LEU HB2 . 25858 1 26 . 1 1 5 5 LEU HB3 H 1 1.6155 0.0200 . 2 . . . A 5 LEU HB3 . 25858 1 27 . 1 1 5 5 LEU HG H 1 1.7710 0.0200 . 1 . . . A 5 LEU HG . 25858 1 28 . 1 1 5 5 LEU HD11 H 1 1.0549 0.0200 . 2 . . . A 5 LEU HD11 . 25858 1 29 . 1 1 5 5 LEU HD12 H 1 1.0549 0.0200 . 2 . . . A 5 LEU HD12 . 25858 1 30 . 1 1 5 5 LEU HD13 H 1 1.0549 0.0200 . 2 . . . A 5 LEU HD13 . 25858 1 31 . 1 1 5 5 LEU HD21 H 1 0.9957 0.0200 . 2 . . . A 5 LEU HD21 . 25858 1 32 . 1 1 5 5 LEU HD22 H 1 0.9957 0.0200 . 2 . . . A 5 LEU HD22 . 25858 1 33 . 1 1 5 5 LEU HD23 H 1 0.9957 0.0200 . 2 . . . A 5 LEU HD23 . 25858 1 34 . 1 1 6 6 LYS H H 1 7.5518 0.0200 . 1 . . . A 6 LYS H . 25858 1 35 . 1 1 6 6 LYS HA H 1 3.9595 0.0200 . 1 . . . A 6 LYS HA . 25858 1 36 . 1 1 6 6 LYS HB2 H 1 2.1848 0.0200 . 2 . . . A 6 LYS HB2 . 25858 1 37 . 1 1 6 6 LYS HB3 H 1 2.1856 0.0200 . 2 . . . A 6 LYS HB3 . 25858 1 38 . 1 1 6 6 LYS HG2 H 1 2.1303 0.0200 . 2 . . . A 6 LYS HG2 . 25858 1 39 . 1 1 6 6 LYS HG3 H 1 2.4517 0.0200 . 2 . . . A 6 LYS HG3 . 25858 1 40 . 1 1 7 7 VAL H H 1 7.5493 0.0200 . 1 . . . A 7 VAL H . 25858 1 41 . 1 1 7 7 VAL HA H 1 3.4472 0.0200 . 1 . . . A 7 VAL HA . 25858 1 42 . 1 1 7 7 VAL HB H 1 2.3082 0.0200 . 1 . . . A 7 VAL HB . 25858 1 43 . 1 1 7 7 VAL HG11 H 1 1.1385 0.0200 . 2 . . . A 7 VAL HG11 . 25858 1 44 . 1 1 7 7 VAL HG12 H 1 1.1385 0.0200 . 2 . . . A 7 VAL HG12 . 25858 1 45 . 1 1 7 7 VAL HG13 H 1 1.1385 0.0200 . 2 . . . A 7 VAL HG13 . 25858 1 46 . 1 1 7 7 VAL HG21 H 1 0.8844 0.0200 . 2 . . . A 7 VAL HG21 . 25858 1 47 . 1 1 7 7 VAL HG22 H 1 0.8844 0.0200 . 2 . . . A 7 VAL HG22 . 25858 1 48 . 1 1 7 7 VAL HG23 H 1 0.8844 0.0200 . 2 . . . A 7 VAL HG23 . 25858 1 49 . 1 1 8 8 VAL H H 1 7.6193 0.0200 . 1 . . . A 8 VAL H . 25858 1 50 . 1 1 8 8 VAL HA H 1 3.3369 0.0200 . 1 . . . A 8 VAL HA . 25858 1 51 . 1 1 8 8 VAL HB H 1 2.0026 0.0200 . 1 . . . A 8 VAL HB . 25858 1 52 . 1 1 8 8 VAL HG11 H 1 0.8816 0.0200 . 2 . . . A 8 VAL HG11 . 25858 1 53 . 1 1 8 8 VAL HG12 H 1 0.8816 0.0200 . 2 . . . A 8 VAL HG12 . 25858 1 54 . 1 1 8 8 VAL HG13 H 1 0.8816 0.0200 . 2 . . . A 8 VAL HG13 . 25858 1 55 . 1 1 8 8 VAL HG21 H 1 0.5139 0.0200 . 2 . . . A 8 VAL HG21 . 25858 1 56 . 1 1 8 8 VAL HG22 H 1 0.5139 0.0200 . 2 . . . A 8 VAL HG22 . 25858 1 57 . 1 1 8 8 VAL HG23 H 1 0.5139 0.0200 . 2 . . . A 8 VAL HG23 . 25858 1 58 . 1 1 9 9 GLN H H 1 8.0524 0.0200 . 1 . . . A 9 GLN H . 25858 1 59 . 1 1 9 9 GLN HA H 1 3.9028 0.0200 . 1 . . . A 9 GLN HA . 25858 1 60 . 1 1 9 9 GLN HB2 H 1 2.2796 0.0200 . 2 . . . A 9 GLN HB2 . 25858 1 61 . 1 1 9 9 GLN HB3 H 1 2.1382 0.0200 . 2 . . . A 9 GLN HB3 . 25858 1 62 . 1 1 9 9 GLN HG2 H 1 2.5915 0.0200 . 2 . . . A 9 GLN HG2 . 25858 1 63 . 1 1 9 9 GLN HG3 H 1 2.2618 0.0200 . 2 . . . A 9 GLN HG3 . 25858 1 64 . 1 1 9 9 GLN HE21 H 1 7.3088 0.0200 . 2 . . . A 9 GLN HE21 . 25858 1 65 . 1 1 9 9 GLN HE22 H 1 6.8615 0.0200 . 2 . . . A 9 GLN HE22 . 25858 1 66 . 1 1 10 10 LEU H H 1 7.9219 0.0200 . 1 . . . A 10 LEU H . 25858 1 67 . 1 1 10 10 LEU HA H 1 4.1529 0.0200 . 1 . . . A 10 LEU HA . 25858 1 68 . 1 1 10 10 LEU HB2 H 1 2.0541 0.0200 . 2 . . . A 10 LEU HB2 . 25858 1 69 . 1 1 10 10 LEU HB3 H 1 1.5458 0.0200 . 2 . . . A 10 LEU HB3 . 25858 1 70 . 1 1 10 10 LEU HG H 1 1.9085 0.0200 . 1 . . . A 10 LEU HG . 25858 1 71 . 1 1 10 10 LEU HD11 H 1 0.9247 0.0200 . 2 . . . A 10 LEU HD11 . 25858 1 72 . 1 1 10 10 LEU HD12 H 1 0.9247 0.0200 . 2 . . . A 10 LEU HD12 . 25858 1 73 . 1 1 10 10 LEU HD13 H 1 0.9247 0.0200 . 2 . . . A 10 LEU HD13 . 25858 1 74 . 1 1 10 10 LEU HD21 H 1 0.8895 0.0200 . 2 . . . A 10 LEU HD21 . 25858 1 75 . 1 1 10 10 LEU HD22 H 1 0.8895 0.0200 . 2 . . . A 10 LEU HD22 . 25858 1 76 . 1 1 10 10 LEU HD23 H 1 0.8895 0.0200 . 2 . . . A 10 LEU HD23 . 25858 1 77 . 1 1 11 11 LEU H H 1 8.2188 0.0200 . 1 . . . A 11 LEU H . 25858 1 78 . 1 1 11 11 LEU HA H 1 4.3117 0.0200 . 1 . . . A 11 LEU HA . 25858 1 79 . 1 1 11 11 LEU HB2 H 1 1.9841 0.0200 . 2 . . . A 11 LEU HB2 . 25858 1 80 . 1 1 11 11 LEU HB3 H 1 1.9841 0.0200 . 2 . . . A 11 LEU HB3 . 25858 1 81 . 1 1 11 11 LEU HG H 1 1.4659 0.0200 . 1 . . . A 11 LEU HG . 25858 1 82 . 1 1 11 11 LEU HD11 H 1 0.9051 0.0200 . 2 . . . A 11 LEU HD11 . 25858 1 83 . 1 1 11 11 LEU HD12 H 1 0.9051 0.0200 . 2 . . . A 11 LEU HD12 . 25858 1 84 . 1 1 11 11 LEU HD13 H 1 0.9051 0.0200 . 2 . . . A 11 LEU HD13 . 25858 1 85 . 1 1 11 11 LEU HD21 H 1 0.9409 0.0200 . 2 . . . A 11 LEU HD21 . 25858 1 86 . 1 1 11 11 LEU HD22 H 1 0.9409 0.0200 . 2 . . . A 11 LEU HD22 . 25858 1 87 . 1 1 11 11 LEU HD23 H 1 0.9409 0.0200 . 2 . . . A 11 LEU HD23 . 25858 1 88 . 1 1 12 12 ALA H H 1 8.0468 0.0200 . 1 . . . A 12 ALA H . 25858 1 89 . 1 1 12 12 ALA HA H 1 3.9141 0.0200 . 1 . . . A 12 ALA HA . 25858 1 90 . 1 1 12 12 ALA HB1 H 1 1.4619 0.0200 . 1 . . . A 12 ALA HB1 . 25858 1 91 . 1 1 12 12 ALA HB2 H 1 1.4619 0.0200 . 1 . . . A 12 ALA HB2 . 25858 1 92 . 1 1 12 12 ALA HB3 H 1 1.4619 0.0200 . 1 . . . A 12 ALA HB3 . 25858 1 93 . 1 1 13 13 LYS H H 1 7.4926 0.0200 . 1 . . . A 13 LYS H . 25858 1 94 . 1 1 13 13 LYS HA H 1 3.9863 0.0200 . 1 . . . A 13 LYS HA . 25858 1 95 . 1 1 13 13 LYS HB2 H 1 1.5324 0.0200 . 2 . . . A 13 LYS HB2 . 25858 1 96 . 1 1 13 13 LYS HB3 H 1 1.5316 0.0200 . 2 . . . A 13 LYS HB3 . 25858 1 97 . 1 1 13 13 LYS HG2 H 1 0.8459 0.0200 . 2 . . . A 13 LYS HG2 . 25858 1 98 . 1 1 13 13 LYS HG3 H 1 1.0590 0.0200 . 2 . . . A 13 LYS HG3 . 25858 1 99 . 1 1 13 13 LYS HD2 H 1 1.6287 0.0200 . 2 . . . A 13 LYS HD2 . 25858 1 100 . 1 1 13 13 LYS HD3 H 1 1.4453 0.0200 . 2 . . . A 13 LYS HD3 . 25858 1 101 . 1 1 13 13 LYS HE2 H 1 2.8750 0.0200 . 2 . . . A 13 LYS HE2 . 25858 1 102 . 1 1 13 13 LYS HE3 H 1 2.8750 0.0200 . 2 . . . A 13 LYS HE3 . 25858 1 103 . 1 1 14 14 TYR H H 1 8.1520 0.0200 . 1 . . . A 14 TYR H . 25858 1 104 . 1 1 14 14 TYR HA H 1 4.6083 0.0200 . 1 . . . A 14 TYR HA . 25858 1 105 . 1 1 14 14 TYR HB2 H 1 3.3656 0.0200 . 2 . . . A 14 TYR HB2 . 25858 1 106 . 1 1 14 14 TYR HB3 H 1 2.8523 0.0200 . 2 . . . A 14 TYR HB3 . 25858 1 107 . 1 1 14 14 TYR HD1 H 1 7.2075 0.0200 . 3 . . . A 14 TYR HD1 . 25858 1 108 . 1 1 14 14 TYR HD2 H 1 7.2054 0.0200 . 3 . . . A 14 TYR HD2 . 25858 1 109 . 1 1 14 14 TYR HE1 H 1 6.7501 0.0200 . 3 . . . A 14 TYR HE1 . 25858 1 110 . 1 1 14 14 TYR HE2 H 1 6.7500 0.0200 . 3 . . . A 14 TYR HE2 . 25858 1 111 . 1 1 15 15 GLY H H 1 8.4500 0.0200 . 1 . . . A 15 GLY H . 25858 1 112 . 1 1 15 15 GLY HA2 H 1 3.6734 0.0200 . 2 . . . A 15 GLY HA2 . 25858 1 113 . 1 1 15 15 GLY HA3 H 1 3.6042 0.0200 . 2 . . . A 15 GLY HA3 . 25858 1 114 . 1 1 16 16 SER H H 1 8.4465 0.0200 . 1 . . . A 16 SER H . 25858 1 115 . 1 1 16 16 SER HA H 1 4.0872 0.0200 . 1 . . . A 16 SER HA . 25858 1 116 . 1 1 16 16 SER HB2 H 1 3.9831 0.0200 . 2 . . . A 16 SER HB2 . 25858 1 117 . 1 1 16 16 SER HB3 H 1 3.9831 0.0200 . 2 . . . A 16 SER HB3 . 25858 1 118 . 1 1 17 17 LYS H H 1 8.4716 0.0200 . 1 . . . A 17 LYS H . 25858 1 119 . 1 1 17 17 LYS HA H 1 4.2124 0.0200 . 1 . . . A 17 LYS HA . 25858 1 120 . 1 1 17 17 LYS HB2 H 1 1.9826 0.0200 . 2 . . . A 17 LYS HB2 . 25858 1 121 . 1 1 17 17 LYS HB3 H 1 1.8942 0.0200 . 2 . . . A 17 LYS HB3 . 25858 1 122 . 1 1 17 17 LYS HG2 H 1 1.5240 0.0200 . 2 . . . A 17 LYS HG2 . 25858 1 123 . 1 1 17 17 LYS HG3 H 1 1.6533 0.0200 . 2 . . . A 17 LYS HG3 . 25858 1 124 . 1 1 17 17 LYS HD2 H 1 1.7846 0.0200 . 2 . . . A 17 LYS HD2 . 25858 1 125 . 1 1 17 17 LYS HD3 H 1 1.7850 0.0200 . 2 . . . A 17 LYS HD3 . 25858 1 126 . 1 1 17 17 LYS HE2 H 1 3.0536 0.0200 . 2 . . . A 17 LYS HE2 . 25858 1 127 . 1 1 17 17 LYS HE3 H 1 3.0531 0.0200 . 2 . . . A 17 LYS HE3 . 25858 1 128 . 1 1 18 18 ALA H H 1 7.4827 0.0200 . 1 . . . A 18 ALA H . 25858 1 129 . 1 1 18 18 ALA HA H 1 4.1942 0.0200 . 1 . . . A 18 ALA HA . 25858 1 130 . 1 1 18 18 ALA HB1 H 1 1.5067 0.0200 . 1 . . . A 18 ALA HB1 . 25858 1 131 . 1 1 18 18 ALA HB2 H 1 1.5067 0.0200 . 1 . . . A 18 ALA HB2 . 25858 1 132 . 1 1 18 18 ALA HB3 H 1 1.5067 0.0200 . 1 . . . A 18 ALA HB3 . 25858 1 133 . 1 1 19 19 VAL H H 1 7.3324 0.0200 . 1 . . . A 19 VAL H . 25858 1 134 . 1 1 19 19 VAL HA H 1 3.6253 0.0200 . 1 . . . A 19 VAL HA . 25858 1 135 . 1 1 19 19 VAL HB H 1 2.1814 0.0200 . 1 . . . A 19 VAL HB . 25858 1 136 . 1 1 19 19 VAL HG11 H 1 1.0694 0.0200 . 2 . . . A 19 VAL HG11 . 25858 1 137 . 1 1 19 19 VAL HG12 H 1 1.0694 0.0200 . 2 . . . A 19 VAL HG12 . 25858 1 138 . 1 1 19 19 VAL HG13 H 1 1.0694 0.0200 . 2 . . . A 19 VAL HG13 . 25858 1 139 . 1 1 19 19 VAL HG21 H 1 1.0441 0.0200 . 2 . . . A 19 VAL HG21 . 25858 1 140 . 1 1 19 19 VAL HG22 H 1 1.0441 0.0200 . 2 . . . A 19 VAL HG22 . 25858 1 141 . 1 1 19 19 VAL HG23 H 1 1.0441 0.0200 . 2 . . . A 19 VAL HG23 . 25858 1 142 . 1 1 20 20 GLN H H 1 8.6004 0.0200 . 1 . . . A 20 GLN H . 25858 1 143 . 1 1 20 20 GLN HA H 1 4.1449 0.0200 . 1 . . . A 20 GLN HA . 25858 1 144 . 1 1 20 20 GLN HB2 H 1 2.3222 0.0200 . 2 . . . A 20 GLN HB2 . 25858 1 145 . 1 1 20 20 GLN HB3 H 1 2.2324 0.0200 . 2 . . . A 20 GLN HB3 . 25858 1 146 . 1 1 20 20 GLN HG2 H 1 2.6510 0.0200 . 2 . . . A 20 GLN HG2 . 25858 1 147 . 1 1 20 20 GLN HG3 H 1 2.4252 0.0200 . 2 . . . A 20 GLN HG3 . 25858 1 148 . 1 1 20 20 GLN HE21 H 1 7.1312 0.0200 . 2 . . . A 20 GLN HE21 . 25858 1 149 . 1 1 20 20 GLN HE22 H 1 6.7113 0.0200 . 2 . . . A 20 GLN HE22 . 25858 1 150 . 1 1 21 21 TRP H H 1 8.3268 0.0200 . 1 . . . A 21 TRP H . 25858 1 151 . 1 1 21 21 TRP HA H 1 4.0304 0.0200 . 1 . . . A 21 TRP HA . 25858 1 152 . 1 1 21 21 TRP HB2 H 1 3.4163 0.0200 . 2 . . . A 21 TRP HB2 . 25858 1 153 . 1 1 21 21 TRP HB3 H 1 3.6206 0.0200 . 2 . . . A 21 TRP HB3 . 25858 1 154 . 1 1 21 21 TRP HD1 H 1 7.2188 0.0200 . 1 . . . A 21 TRP HD1 . 25858 1 155 . 1 1 21 21 TRP HE1 H 1 9.9821 0.0200 . 1 . . . A 21 TRP HE1 . 25858 1 156 . 1 1 21 21 TRP HE3 H 1 7.2981 0.0200 . 1 . . . A 21 TRP HE3 . 25858 1 157 . 1 1 21 21 TRP HZ2 H 1 7.4066 0.0200 . 1 . . . A 21 TRP HZ2 . 25858 1 158 . 1 1 21 21 TRP HZ3 H 1 6.8940 0.0200 . 1 . . . A 21 TRP HZ3 . 25858 1 159 . 1 1 21 21 TRP HH2 H 1 7.0325 0.0200 . 1 . . . A 21 TRP HH2 . 25858 1 160 . 1 1 22 22 ALA H H 1 8.3184 0.0200 . 1 . . . A 22 ALA H . 25858 1 161 . 1 1 22 22 ALA HA H 1 3.9860 0.0200 . 1 . . . A 22 ALA HA . 25858 1 162 . 1 1 22 22 ALA HB1 H 1 1.5307 0.0200 . 1 . . . A 22 ALA HB1 . 25858 1 163 . 1 1 22 22 ALA HB2 H 1 1.5307 0.0200 . 1 . . . A 22 ALA HB2 . 25858 1 164 . 1 1 22 22 ALA HB3 H 1 1.5307 0.0200 . 1 . . . A 22 ALA HB3 . 25858 1 165 . 1 1 23 23 TRP H H 1 8.3268 0.0200 . 1 . . . A 23 TRP H . 25858 1 166 . 1 1 23 23 TRP HA H 1 4.4071 0.0200 . 1 . . . A 23 TRP HA . 25858 1 167 . 1 1 23 23 TRP HB2 H 1 3.4100 0.0200 . 2 . . . A 23 TRP HB2 . 25858 1 168 . 1 1 23 23 TRP HB3 H 1 3.3307 0.0200 . 2 . . . A 23 TRP HB3 . 25858 1 169 . 1 1 23 23 TRP HD1 H 1 7.2984 0.0200 . 1 . . . A 23 TRP HD1 . 25858 1 170 . 1 1 23 23 TRP HE1 H 1 9.5620 0.0200 . 1 . . . A 23 TRP HE1 . 25858 1 171 . 1 1 23 23 TRP HE3 H 1 7.6421 0.0200 . 1 . . . A 23 TRP HE3 . 25858 1 172 . 1 1 23 23 TRP HZ2 H 1 7.4799 0.0200 . 1 . . . A 23 TRP HZ2 . 25858 1 173 . 1 1 23 23 TRP HZ3 H 1 7.1222 0.0200 . 1 . . . A 23 TRP HZ3 . 25858 1 174 . 1 1 23 23 TRP HH2 H 1 7.2533 0.0200 . 1 . . . A 23 TRP HH2 . 25858 1 175 . 1 1 24 24 ALA H H 1 8.2931 0.0200 . 1 . . . A 24 ALA H . 25858 1 176 . 1 1 24 24 ALA HA H 1 4.0793 0.0200 . 1 . . . A 24 ALA HA . 25858 1 177 . 1 1 24 24 ALA HB1 H 1 1.3919 0.0200 . 1 . . . A 24 ALA HB1 . 25858 1 178 . 1 1 24 24 ALA HB2 H 1 1.3919 0.0200 . 1 . . . A 24 ALA HB2 . 25858 1 179 . 1 1 24 24 ALA HB3 H 1 1.3919 0.0200 . 1 . . . A 24 ALA HB3 . 25858 1 180 . 1 1 25 25 ASN H H 1 7.5961 0.0200 . 1 . . . A 25 ASN H . 25858 1 181 . 1 1 25 25 ASN HA H 1 4.6125 0.0200 . 1 . . . A 25 ASN HA . 25858 1 182 . 1 1 25 25 ASN HB2 H 1 2.0652 0.0200 . 2 . . . A 25 ASN HB2 . 25858 1 183 . 1 1 25 25 ASN HB3 H 1 1.2596 0.0200 . 2 . . . A 25 ASN HB3 . 25858 1 184 . 1 1 25 25 ASN HD21 H 1 6.0115 0.0200 . 2 . . . A 25 ASN HD21 . 25858 1 185 . 1 1 25 25 ASN HD22 H 1 5.9360 0.0200 . 2 . . . A 25 ASN HD22 . 25858 1 186 . 1 1 26 26 LYS H H 1 7.5528 0.0200 . 1 . . . A 26 LYS H . 25858 1 187 . 1 1 26 26 LYS HA H 1 4.1087 0.0200 . 1 . . . A 26 LYS HA . 25858 1 188 . 1 1 26 26 LYS HB2 H 1 1.9935 0.0200 . 2 . . . A 26 LYS HB2 . 25858 1 189 . 1 1 26 26 LYS HB3 H 1 1.9530 0.0200 . 2 . . . A 26 LYS HB3 . 25858 1 190 . 1 1 26 26 LYS HG2 H 1 1.5282 0.0200 . 2 . . . A 26 LYS HG2 . 25858 1 191 . 1 1 26 26 LYS HG3 H 1 1.5315 0.0200 . 2 . . . A 26 LYS HG3 . 25858 1 192 . 1 1 26 26 LYS HD2 H 1 1.7819 0.0200 . 2 . . . A 26 LYS HD2 . 25858 1 193 . 1 1 26 26 LYS HD3 H 1 1.6536 0.0200 . 2 . . . A 26 LYS HD3 . 25858 1 194 . 1 1 26 26 LYS HE2 H 1 2.9723 0.0200 . 2 . . . A 26 LYS HE2 . 25858 1 195 . 1 1 26 26 LYS HE3 H 1 2.9723 0.0200 . 2 . . . A 26 LYS HE3 . 25858 1 196 . 1 1 27 27 GLY H H 1 7.9121 0.0200 . 1 . . . A 27 GLY H . 25858 1 197 . 1 1 27 27 GLY HA2 H 1 4.2140 0.0200 . 2 . . . A 27 GLY HA2 . 25858 1 198 . 1 1 27 27 GLY HA3 H 1 4.0933 0.0200 . 2 . . . A 27 GLY HA3 . 25858 1 199 . 1 1 28 28 LYS H H 1 7.4002 0.0200 . 1 . . . A 28 LYS H . 25858 1 200 . 1 1 28 28 LYS HB2 H 1 2.4836 0.0200 . 2 . . . A 28 LYS HB2 . 25858 1 201 . 1 1 28 28 LYS HB3 H 1 2.3853 0.0200 . 2 . . . A 28 LYS HB3 . 25858 1 202 . 1 1 28 28 LYS HG2 H 1 1.2315 0.0200 . 2 . . . A 28 LYS HG2 . 25858 1 203 . 1 1 28 28 LYS HG3 H 1 1.0712 0.0200 . 2 . . . A 28 LYS HG3 . 25858 1 204 . 1 1 29 29 ILE H H 1 7.2608 0.0200 . 1 . . . A 29 ILE H . 25858 1 205 . 1 1 29 29 ILE HA H 1 3.7808 0.0200 . 1 . . . A 29 ILE HA . 25858 1 206 . 1 1 29 29 ILE HB H 1 2.0556 0.0200 . 1 . . . A 29 ILE HB . 25858 1 207 . 1 1 29 29 ILE HG12 H 1 1.8318 0.0200 . 2 . . . A 29 ILE HG12 . 25858 1 208 . 1 1 29 29 ILE HG13 H 1 1.8317 0.0200 . 2 . . . A 29 ILE HG13 . 25858 1 209 . 1 1 29 29 ILE HG21 H 1 1.2171 0.0200 . 1 . . . A 29 ILE HG21 . 25858 1 210 . 1 1 29 29 ILE HG22 H 1 1.2171 0.0200 . 1 . . . A 29 ILE HG22 . 25858 1 211 . 1 1 29 29 ILE HG23 H 1 1.2171 0.0200 . 1 . . . A 29 ILE HG23 . 25858 1 212 . 1 1 29 29 ILE HD11 H 1 1.1715 0.0200 . 1 . . . A 29 ILE HD11 . 25858 1 213 . 1 1 29 29 ILE HD12 H 1 1.1715 0.0200 . 1 . . . A 29 ILE HD12 . 25858 1 214 . 1 1 29 29 ILE HD13 H 1 1.1715 0.0200 . 1 . . . A 29 ILE HD13 . 25858 1 215 . 1 1 30 30 LEU H H 1 8.5922 0.0200 . 1 . . . A 30 LEU H . 25858 1 216 . 1 1 30 30 LEU HA H 1 4.0891 0.0200 . 1 . . . A 30 LEU HA . 25858 1 217 . 1 1 30 30 LEU HB2 H 1 1.8056 0.0200 . 2 . . . A 30 LEU HB2 . 25858 1 218 . 1 1 30 30 LEU HB3 H 1 1.4563 0.0200 . 2 . . . A 30 LEU HB3 . 25858 1 219 . 1 1 30 30 LEU HG H 1 1.7025 0.0200 . 1 . . . A 30 LEU HG . 25858 1 220 . 1 1 30 30 LEU HD11 H 1 0.8723 0.0200 . 2 . . . A 30 LEU HD11 . 25858 1 221 . 1 1 30 30 LEU HD12 H 1 0.8723 0.0200 . 2 . . . A 30 LEU HD12 . 25858 1 222 . 1 1 30 30 LEU HD13 H 1 0.8723 0.0200 . 2 . . . A 30 LEU HD13 . 25858 1 223 . 1 1 30 30 LEU HD21 H 1 0.7344 0.0200 . 2 . . . A 30 LEU HD21 . 25858 1 224 . 1 1 30 30 LEU HD22 H 1 0.7344 0.0200 . 2 . . . A 30 LEU HD22 . 25858 1 225 . 1 1 30 30 LEU HD23 H 1 0.7344 0.0200 . 2 . . . A 30 LEU HD23 . 25858 1 226 . 1 1 31 31 ASP H H 1 7.8455 0.0200 . 1 . . . A 31 ASP H . 25858 1 227 . 1 1 31 31 ASP HA H 1 4.4704 0.0200 . 1 . . . A 31 ASP HA . 25858 1 228 . 1 1 31 31 ASP HB2 H 1 3.0131 0.0200 . 2 . . . A 31 ASP HB2 . 25858 1 229 . 1 1 31 31 ASP HB3 H 1 2.8180 0.0200 . 2 . . . A 31 ASP HB3 . 25858 1 230 . 1 1 32 32 TRP H H 1 8.1623 0.0200 . 1 . . . A 32 TRP H . 25858 1 231 . 1 1 32 32 TRP HA H 1 4.6262 0.0200 . 1 . . . A 32 TRP HA . 25858 1 232 . 1 1 32 32 TRP HB2 H 1 3.8003 0.0200 . 2 . . . A 32 TRP HB2 . 25858 1 233 . 1 1 32 32 TRP HB3 H 1 3.1447 0.0200 . 2 . . . A 32 TRP HB3 . 25858 1 234 . 1 1 32 32 TRP HD1 H 1 7.2601 0.0200 . 1 . . . A 32 TRP HD1 . 25858 1 235 . 1 1 32 32 TRP HE1 H 1 10.0892 0.0200 . 1 . . . A 32 TRP HE1 . 25858 1 236 . 1 1 32 32 TRP HE3 H 1 7.7162 0.0200 . 1 . . . A 32 TRP HE3 . 25858 1 237 . 1 1 32 32 TRP HZ2 H 1 7.5181 0.0200 . 1 . . . A 32 TRP HZ2 . 25858 1 238 . 1 1 32 32 TRP HZ3 H 1 7.0371 0.0200 . 1 . . . A 32 TRP HZ3 . 25858 1 239 . 1 1 32 32 TRP HH2 H 1 7.1022 0.0200 . 1 . . . A 32 TRP HH2 . 25858 1 240 . 1 1 33 33 LEU H H 1 8.7086 0.0200 . 1 . . . A 33 LEU H . 25858 1 241 . 1 1 33 33 LEU HA H 1 4.3804 0.0200 . 1 . . . A 33 LEU HA . 25858 1 242 . 1 1 33 33 LEU HB2 H 1 2.0511 0.0200 . 2 . . . A 33 LEU HB2 . 25858 1 243 . 1 1 33 33 LEU HB3 H 1 2.1335 0.0200 . 2 . . . A 33 LEU HB3 . 25858 1 244 . 1 1 33 33 LEU HG H 1 1.6397 0.0200 . 1 . . . A 33 LEU HG . 25858 1 245 . 1 1 33 33 LEU HD11 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD11 . 25858 1 246 . 1 1 33 33 LEU HD12 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD12 . 25858 1 247 . 1 1 33 33 LEU HD13 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD13 . 25858 1 248 . 1 1 33 33 LEU HD21 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD21 . 25858 1 249 . 1 1 33 33 LEU HD22 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD22 . 25858 1 250 . 1 1 33 33 LEU HD23 H 1 0.9703 0.0200 . 2 . . . A 33 LEU HD23 . 25858 1 251 . 1 1 34 34 ASN H H 1 9.0551 0.0200 . 1 . . . A 34 ASN H . 25858 1 252 . 1 1 34 34 ASN HA H 1 4.6052 0.0200 . 1 . . . A 34 ASN HA . 25858 1 253 . 1 1 34 34 ASN HB2 H 1 3.0075 0.0200 . 2 . . . A 34 ASN HB2 . 25858 1 254 . 1 1 34 34 ASN HB3 H 1 2.8836 0.0200 . 2 . . . A 34 ASN HB3 . 25858 1 255 . 1 1 34 34 ASN HD21 H 1 7.5995 0.0200 . 2 . . . A 34 ASN HD21 . 25858 1 256 . 1 1 34 34 ASN HD22 H 1 6.6793 0.0200 . 2 . . . A 34 ASN HD22 . 25858 1 257 . 1 1 35 35 ALA H H 1 7.8595 0.0200 . 1 . . . A 35 ALA H . 25858 1 258 . 1 1 35 35 ALA HA H 1 4.4083 0.0200 . 1 . . . A 35 ALA HA . 25858 1 259 . 1 1 35 35 ALA HB1 H 1 1.6265 0.0200 . 1 . . . A 35 ALA HB1 . 25858 1 260 . 1 1 35 35 ALA HB2 H 1 1.6265 0.0200 . 1 . . . A 35 ALA HB2 . 25858 1 261 . 1 1 35 35 ALA HB3 H 1 1.6265 0.0200 . 1 . . . A 35 ALA HB3 . 25858 1 262 . 1 1 36 36 GLY H H 1 7.9142 0.0200 . 1 . . . A 36 GLY H . 25858 1 263 . 1 1 36 36 GLY HA2 H 1 4.2134 0.0200 . 2 . . . A 36 GLY HA2 . 25858 1 264 . 1 1 36 36 GLY HA3 H 1 3.7459 0.0200 . 2 . . . A 36 GLY HA3 . 25858 1 265 . 1 1 37 37 GLN H H 1 7.8058 0.0200 . 1 . . . A 37 GLN H . 25858 1 266 . 1 1 37 37 GLN HA H 1 4.1536 0.0200 . 1 . . . A 37 GLN HA . 25858 1 267 . 1 1 37 37 GLN HB2 H 1 1.6258 0.0200 . 2 . . . A 37 GLN HB2 . 25858 1 268 . 1 1 37 37 GLN HB3 H 1 1.7855 0.0200 . 2 . . . A 37 GLN HB3 . 25858 1 269 . 1 1 37 37 GLN HG2 H 1 2.0717 0.0200 . 2 . . . A 37 GLN HG2 . 25858 1 270 . 1 1 38 38 ALA H H 1 8.2694 0.0200 . 1 . . . A 38 ALA H . 25858 1 271 . 1 1 38 38 ALA HA H 1 4.3680 0.0200 . 1 . . . A 38 ALA HA . 25858 1 272 . 1 1 38 38 ALA HB1 H 1 1.6034 0.0200 . 1 . . . A 38 ALA HB1 . 25858 1 273 . 1 1 38 38 ALA HB2 H 1 1.6034 0.0200 . 1 . . . A 38 ALA HB2 . 25858 1 274 . 1 1 38 38 ALA HB3 H 1 1.6034 0.0200 . 1 . . . A 38 ALA HB3 . 25858 1 275 . 1 1 39 39 ILE H H 1 8.6170 0.0200 . 1 . . . A 39 ILE H . 25858 1 276 . 1 1 39 39 ILE HA H 1 3.7081 0.0200 . 1 . . . A 39 ILE HA . 25858 1 277 . 1 1 39 39 ILE HB H 1 1.9125 0.0200 . 1 . . . A 39 ILE HB . 25858 1 278 . 1 1 39 39 ILE HG12 H 1 1.2898 0.0200 . 2 . . . A 39 ILE HG12 . 25858 1 279 . 1 1 39 39 ILE HG13 H 1 0.9733 0.0200 . 2 . . . A 39 ILE HG13 . 25858 1 280 . 1 1 39 39 ILE HG21 H 1 0.9074 0.0200 . 1 . . . A 39 ILE HG21 . 25858 1 281 . 1 1 39 39 ILE HG22 H 1 0.9074 0.0200 . 1 . . . A 39 ILE HG22 . 25858 1 282 . 1 1 39 39 ILE HG23 H 1 0.9074 0.0200 . 1 . . . A 39 ILE HG23 . 25858 1 283 . 1 1 39 39 ILE HD11 H 1 1.7286 0.0200 . 1 . . . A 39 ILE HD11 . 25858 1 284 . 1 1 39 39 ILE HD12 H 1 1.7286 0.0200 . 1 . . . A 39 ILE HD12 . 25858 1 285 . 1 1 39 39 ILE HD13 H 1 1.7286 0.0200 . 1 . . . A 39 ILE HD13 . 25858 1 286 . 1 1 40 40 ASP H H 1 8.5999 0.0200 . 1 . . . A 40 ASP H . 25858 1 287 . 1 1 40 40 ASP HA H 1 4.3171 0.0200 . 1 . . . A 40 ASP HA . 25858 1 288 . 1 1 40 40 ASP HB2 H 1 2.8365 0.0200 . 2 . . . A 40 ASP HB2 . 25858 1 289 . 1 1 40 40 ASP HB3 H 1 2.8376 0.0200 . 2 . . . A 40 ASP HB3 . 25858 1 290 . 1 1 41 41 TRP H H 1 7.4778 0.0200 . 1 . . . A 41 TRP H . 25858 1 291 . 1 1 41 41 TRP HA H 1 4.0995 0.0200 . 1 . . . A 41 TRP HA . 25858 1 292 . 1 1 41 41 TRP HB2 H 1 3.7222 0.0200 . 2 . . . A 41 TRP HB2 . 25858 1 293 . 1 1 41 41 TRP HB3 H 1 3.3031 0.0200 . 2 . . . A 41 TRP HB3 . 25858 1 294 . 1 1 41 41 TRP HD1 H 1 7.2189 0.0200 . 1 . . . A 41 TRP HD1 . 25858 1 295 . 1 1 41 41 TRP HE1 H 1 9.9071 0.0200 . 1 . . . A 41 TRP HE1 . 25858 1 296 . 1 1 41 41 TRP HE3 H 1 7.2020 0.0200 . 1 . . . A 41 TRP HE3 . 25858 1 297 . 1 1 41 41 TRP HZ2 H 1 7.2675 0.0200 . 1 . . . A 41 TRP HZ2 . 25858 1 298 . 1 1 41 41 TRP HZ3 H 1 5.9122 0.0200 . 1 . . . A 41 TRP HZ3 . 25858 1 299 . 1 1 41 41 TRP HH2 H 1 6.5647 0.0200 . 1 . . . A 41 TRP HH2 . 25858 1 300 . 1 1 42 42 VAL H H 1 8.3532 0.0200 . 1 . . . A 42 VAL H . 25858 1 301 . 1 1 42 42 VAL HA H 1 3.3686 0.0200 . 1 . . . A 42 VAL HA . 25858 1 302 . 1 1 42 42 VAL HB H 1 2.5466 0.0200 . 1 . . . A 42 VAL HB . 25858 1 303 . 1 1 42 42 VAL HG11 H 1 1.3299 0.0200 . 2 . . . A 42 VAL HG11 . 25858 1 304 . 1 1 42 42 VAL HG12 H 1 1.3299 0.0200 . 2 . . . A 42 VAL HG12 . 25858 1 305 . 1 1 42 42 VAL HG13 H 1 1.3299 0.0200 . 2 . . . A 42 VAL HG13 . 25858 1 306 . 1 1 42 42 VAL HG21 H 1 1.4106 0.0200 . 2 . . . A 42 VAL HG21 . 25858 1 307 . 1 1 42 42 VAL HG22 H 1 1.4106 0.0200 . 2 . . . A 42 VAL HG22 . 25858 1 308 . 1 1 42 42 VAL HG23 H 1 1.4106 0.0200 . 2 . . . A 42 VAL HG23 . 25858 1 309 . 1 1 43 43 VAL H H 1 8.5613 0.0200 . 1 . . . A 43 VAL H . 25858 1 310 . 1 1 43 43 VAL HA H 1 3.4782 0.0200 . 1 . . . A 43 VAL HA . 25858 1 311 . 1 1 43 43 VAL HB H 1 2.1133 0.0200 . 1 . . . A 43 VAL HB . 25858 1 312 . 1 1 43 43 VAL HG11 H 1 0.9390 0.0200 . 2 . . . A 43 VAL HG11 . 25858 1 313 . 1 1 43 43 VAL HG12 H 1 0.9390 0.0200 . 2 . . . A 43 VAL HG12 . 25858 1 314 . 1 1 43 43 VAL HG13 H 1 0.9390 0.0200 . 2 . . . A 43 VAL HG13 . 25858 1 315 . 1 1 43 43 VAL HG21 H 1 1.1689 0.0200 . 2 . . . A 43 VAL HG21 . 25858 1 316 . 1 1 43 43 VAL HG22 H 1 1.1689 0.0200 . 2 . . . A 43 VAL HG22 . 25858 1 317 . 1 1 43 43 VAL HG23 H 1 1.1689 0.0200 . 2 . . . A 43 VAL HG23 . 25858 1 318 . 1 1 44 44 SER H H 1 7.7972 0.0200 . 1 . . . A 44 SER H . 25858 1 319 . 1 1 44 44 SER HA H 1 3.9580 0.0200 . 1 . . . A 44 SER HA . 25858 1 320 . 1 1 44 44 SER HB2 H 1 3.9024 0.0200 . 2 . . . A 44 SER HB2 . 25858 1 321 . 1 1 44 44 SER HB3 H 1 3.7562 0.0200 . 2 . . . A 44 SER HB3 . 25858 1 322 . 1 1 45 45 LYS H H 1 8.0266 0.0200 . 1 . . . A 45 LYS H . 25858 1 323 . 1 1 45 45 LYS HA H 1 3.7160 0.0200 . 1 . . . A 45 LYS HA . 25858 1 324 . 1 1 45 45 LYS HB2 H 1 1.2878 0.0200 . 2 . . . A 45 LYS HB2 . 25858 1 325 . 1 1 46 46 ILE H H 1 8.1719 0.0200 . 1 . . . A 46 ILE H . 25858 1 326 . 1 1 46 46 ILE HA H 1 3.2661 0.0200 . 1 . . . A 46 ILE HA . 25858 1 327 . 1 1 46 46 ILE HB H 1 1.8278 0.0200 . 1 . . . A 46 ILE HB . 25858 1 328 . 1 1 46 46 ILE HG21 H 1 1.0934 0.0200 . 1 . . . A 46 ILE HG21 . 25858 1 329 . 1 1 46 46 ILE HG22 H 1 1.0934 0.0200 . 1 . . . A 46 ILE HG22 . 25858 1 330 . 1 1 46 46 ILE HG23 H 1 1.0934 0.0200 . 1 . . . A 46 ILE HG23 . 25858 1 331 . 1 1 47 47 LYS H H 1 8.2646 0.0200 . 1 . . . A 47 LYS H . 25858 1 332 . 1 1 47 47 LYS HA H 1 3.5048 0.0200 . 1 . . . A 47 LYS HA . 25858 1 333 . 1 1 47 47 LYS HB2 H 1 1.7153 0.0200 . 2 . . . A 47 LYS HB2 . 25858 1 334 . 1 1 47 47 LYS HB3 H 1 1.7153 0.0200 . 2 . . . A 47 LYS HB3 . 25858 1 335 . 1 1 47 47 LYS HG2 H 1 0.6623 0.0200 . 2 . . . A 47 LYS HG2 . 25858 1 336 . 1 1 47 47 LYS HG3 H 1 0.6623 0.0200 . 2 . . . A 47 LYS HG3 . 25858 1 337 . 1 1 47 47 LYS HD2 H 1 1.6632 0.0200 . 2 . . . A 47 LYS HD2 . 25858 1 338 . 1 1 47 47 LYS HD3 H 1 1.9631 0.0200 . 2 . . . A 47 LYS HD3 . 25858 1 339 . 1 1 48 48 GLN H H 1 7.5515 0.0200 . 1 . . . A 48 GLN H . 25858 1 340 . 1 1 48 48 GLN HA H 1 3.9613 0.0200 . 1 . . . A 48 GLN HA . 25858 1 341 . 1 1 48 48 GLN HB2 H 1 2.1303 0.0200 . 2 . . . A 48 GLN HB2 . 25858 1 342 . 1 1 48 48 GLN HG2 H 1 2.4518 0.0200 . 2 . . . A 48 GLN HG2 . 25858 1 343 . 1 1 48 48 GLN HG3 H 1 2.1833 0.0200 . 2 . . . A 48 GLN HG3 . 25858 1 344 . 1 1 48 48 GLN HE21 H 1 6.6380 0.0200 . 2 . . . A 48 GLN HE21 . 25858 1 345 . 1 1 48 48 GLN HE22 H 1 7.2359 0.0200 . 2 . . . A 48 GLN HE22 . 25858 1 346 . 1 1 49 49 ILE H H 1 8.2088 0.0200 . 1 . . . A 49 ILE H . 25858 1 347 . 1 1 49 49 ILE HA H 1 3.5480 0.0200 . 1 . . . A 49 ILE HA . 25858 1 348 . 1 1 49 49 ILE HB H 1 1.6588 0.0200 . 1 . . . A 49 ILE HB . 25858 1 349 . 1 1 49 49 ILE HG12 H 1 1.0519 0.0200 . 2 . . . A 49 ILE HG12 . 25858 1 350 . 1 1 49 49 ILE HG13 H 1 1.7550 0.0200 . 2 . . . A 49 ILE HG13 . 25858 1 351 . 1 1 49 49 ILE HG21 H 1 0.7557 0.0200 . 1 . . . A 49 ILE HG21 . 25858 1 352 . 1 1 49 49 ILE HG22 H 1 0.7557 0.0200 . 1 . . . A 49 ILE HG22 . 25858 1 353 . 1 1 49 49 ILE HG23 H 1 0.7557 0.0200 . 1 . . . A 49 ILE HG23 . 25858 1 354 . 1 1 49 49 ILE HD11 H 1 0.8884 0.0200 . 1 . . . A 49 ILE HD11 . 25858 1 355 . 1 1 49 49 ILE HD12 H 1 0.8884 0.0200 . 1 . . . A 49 ILE HD12 . 25858 1 356 . 1 1 49 49 ILE HD13 H 1 0.8884 0.0200 . 1 . . . A 49 ILE HD13 . 25858 1 357 . 1 1 50 50 LEU H H 1 7.9136 0.0200 . 1 . . . A 50 LEU H . 25858 1 358 . 1 1 50 50 LEU HA H 1 4.0948 0.0200 . 1 . . . A 50 LEU HA . 25858 1 359 . 1 1 50 50 LEU HB2 H 1 1.5180 0.0200 . 2 . . . A 50 LEU HB2 . 25858 1 360 . 1 1 50 50 LEU HB3 H 1 1.3965 0.0200 . 2 . . . A 50 LEU HB3 . 25858 1 361 . 1 1 50 50 LEU HG H 1 1.3044 0.0200 . 1 . . . A 50 LEU HG . 25858 1 362 . 1 1 50 50 LEU HD11 H 1 0.5473 0.0200 . 2 . . . A 50 LEU HD11 . 25858 1 363 . 1 1 50 50 LEU HD12 H 1 0.5473 0.0200 . 2 . . . A 50 LEU HD12 . 25858 1 364 . 1 1 50 50 LEU HD13 H 1 0.5473 0.0200 . 2 . . . A 50 LEU HD13 . 25858 1 365 . 1 1 50 50 LEU HD21 H 1 0.4455 0.0200 . 2 . . . A 50 LEU HD21 . 25858 1 366 . 1 1 50 50 LEU HD22 H 1 0.4455 0.0200 . 2 . . . A 50 LEU HD22 . 25858 1 367 . 1 1 50 50 LEU HD23 H 1 0.4455 0.0200 . 2 . . . A 50 LEU HD23 . 25858 1 368 . 1 1 51 51 GLY H H 1 7.7376 0.0200 . 1 . . . A 51 GLY H . 25858 1 369 . 1 1 51 51 GLY HA2 H 1 3.9306 0.0200 . 2 . . . A 51 GLY HA2 . 25858 1 370 . 1 1 51 51 GLY HA3 H 1 3.7718 0.0200 . 2 . . . A 51 GLY HA3 . 25858 1 371 . 1 1 52 52 ILE H H 1 8.1767 0.0200 . 1 . . . A 52 ILE H . 25858 1 372 . 1 1 52 52 ILE HA H 1 3.9418 0.0200 . 1 . . . A 52 ILE HA . 25858 1 373 . 1 1 52 52 ILE HB H 1 1.3758 0.0200 . 1 . . . A 52 ILE HB . 25858 1 374 . 1 1 52 52 ILE HG12 H 1 0.8993 0.0200 . 2 . . . A 52 ILE HG12 . 25858 1 375 . 1 1 52 52 ILE HG13 H 1 0.8993 0.0200 . 2 . . . A 52 ILE HG13 . 25858 1 376 . 1 1 52 52 ILE HG21 H 1 0.6340 0.0200 . 1 . . . A 52 ILE HG21 . 25858 1 377 . 1 1 52 52 ILE HG22 H 1 0.6340 0.0200 . 1 . . . A 52 ILE HG22 . 25858 1 378 . 1 1 52 52 ILE HG23 H 1 0.6340 0.0200 . 1 . . . A 52 ILE HG23 . 25858 1 379 . 1 1 52 52 ILE HD11 H 1 0.5918 0.0200 . 1 . . . A 52 ILE HD11 . 25858 1 380 . 1 1 52 52 ILE HD12 H 1 0.5918 0.0200 . 1 . . . A 52 ILE HD12 . 25858 1 381 . 1 1 52 52 ILE HD13 H 1 0.5918 0.0200 . 1 . . . A 52 ILE HD13 . 25858 1 382 . 1 1 53 53 LYS H H 1 8.0132 0.0200 . 1 . . . A 53 LYS H . 25858 1 383 . 1 1 53 53 LYS HA H 1 4.1288 0.0200 . 1 . . . A 53 LYS HA . 25858 1 384 . 1 1 53 53 LYS HB2 H 1 1.7195 0.0200 . 2 . . . A 53 LYS HB2 . 25858 1 385 . 1 1 53 53 LYS HB3 H 1 1.7202 0.0200 . 2 . . . A 53 LYS HB3 . 25858 1 386 . 1 1 53 53 LYS HG2 H 1 1.4246 0.0200 . 2 . . . A 53 LYS HG2 . 25858 1 387 . 1 1 53 53 LYS HG3 H 1 1.4246 0.0200 . 2 . . . A 53 LYS HG3 . 25858 1 388 . 1 1 53 53 LYS HD2 H 1 1.8267 0.0200 . 2 . . . A 53 LYS HD2 . 25858 1 389 . 1 1 53 53 LYS HD3 H 1 1.8270 0.0200 . 2 . . . A 53 LYS HD3 . 25858 1 390 . 1 1 53 53 LYS HE2 H 1 2.9904 0.0200 . 2 . . . A 53 LYS HE2 . 25858 1 391 . 1 1 53 53 LYS HE3 H 1 2.9916 0.0200 . 2 . . . A 53 LYS HE3 . 25858 1 stop_ save_