data_3466 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 3466 _Entry.Title ; Proton Nuclear Magnetic Resonance Sequential Assignments and Secondary Structure of an Immunoglobulin Light Chain-Binding Domain of Protein L ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Mats Wikstrom . . . 3466 2 Ulf Sjobring . . . 3466 3 Willian Kastern . . . 3466 4 Lars Bjorck . . . 3466 5 Torbjorn Drakenberg . . . 3466 6 Sture Forsen . . . 3466 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 3466 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 516 3466 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 4 . . 2010-06-22 . revision BMRB 'Complete natural source information' 3466 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 3466 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 3466 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 3466 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 3466 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wikstrom, Mats, Sjobring, Ulf, Kastern, Willian, Bjorck, Lars, Drakenberg, Torbjorn, Forsen, Sture, "Proton Nuclear Magnetic Resonance Sequential Assignments and Secondary Structure of an Immunoglobulin Light Chain-Binding Domain of Protein L," Biochemistry 32 (13), 3381-3386 (1993). ; _Citation.Title ; Proton Nuclear Magnetic Resonance Sequential Assignments and Secondary Structure of an Immunoglobulin Light Chain-Binding Domain of Protein L ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 13 _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 3381 _Citation.Page_last 3386 _Citation.Year 1993 _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.Entry_ID _Citation_author.Citation_ID 1 Mats Wikstrom . . . 3466 1 2 Ulf Sjobring . . . 3466 1 3 Willian Kastern . . . 3466 1 4 Lars Bjorck . . . 3466 1 5 Torbjorn Drakenberg . . . 3466 1 6 Sture Forsen . . . 3466 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_protein_L _Assembly.Sf_category assembly _Assembly.Sf_framecode system_protein_L _Assembly.Entry_ID 3466 _Assembly.ID 1 _Assembly.Name 'protein L' _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 . _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 'protein L' 1 $protein_L . . . . . . . . . 3466 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'protein L' system 3466 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_L _Entity.Sf_category entity _Entity.Sf_framecode protein_L _Entity.Entry_ID 3466 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein L' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; XNKEETPETPETDSEEEVTI KANLIFANGSTQTAEFKGTF EKATSEAYAYADTLKKDNGE YTVDVADKGYTLNIKFAG ; _Entity.Polymer_seq_one_letter_code ; XNKEETPETPETDSEEEVTI KANLIFANGSTQTAEFKGTF EKATSEAYAYADTLKKDNGE YTVDVADKGYTLNIKFAG ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HZ5 . "Crystal Structures Of The B1 Domain Of Protein L From Peptostreptococcus Magnus, With A Tyrosine To Tryptophan Substitution" . . . . . 80.77 72 98.41 100.00 3.25e-35 . . . . 3466 1 2 no PDB 1HZ6 . "Crystal Structures Of The B1 Domain Of Protein L From Peptostreptococcus Magnus With A Tyrosine To Tryptophan Substitution" . . . . . 80.77 72 98.41 100.00 3.25e-35 . . . . 3466 1 3 no PDB 2PTL . "Three-Dimensional Solution Structure Of An Immunoglobulin Light Chain- Binding Domain Of Protein L. Comparison With The Igg-Bin" . . . . . 98.72 78 100.00 100.00 4.72e-45 . . . . 3466 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'B1 domain' variant 3466 1 'protein L' common 3466 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . X . 3466 1 2 . ASN . 3466 1 3 . LYS . 3466 1 4 . GLU . 3466 1 5 . GLU . 3466 1 6 . THR . 3466 1 7 . PRO . 3466 1 8 . GLU . 3466 1 9 . THR . 3466 1 10 . PRO . 3466 1 11 . GLU . 3466 1 12 . THR . 3466 1 13 . ASP . 3466 1 14 . SER . 3466 1 15 . GLU . 3466 1 16 . GLU . 3466 1 17 . GLU . 3466 1 18 . VAL . 3466 1 19 . THR . 3466 1 20 . ILE . 3466 1 21 . LYS . 3466 1 22 . ALA . 3466 1 23 . ASN . 3466 1 24 . LEU . 3466 1 25 . ILE . 3466 1 26 . PHE . 3466 1 27 . ALA . 3466 1 28 . ASN . 3466 1 29 . GLY . 3466 1 30 . SER . 3466 1 31 . THR . 3466 1 32 . GLN . 3466 1 33 . THR . 3466 1 34 . ALA . 3466 1 35 . GLU . 3466 1 36 . PHE . 3466 1 37 . LYS . 3466 1 38 . GLY . 3466 1 39 . THR . 3466 1 40 . PHE . 3466 1 41 . GLU . 3466 1 42 . LYS . 3466 1 43 . ALA . 3466 1 44 . THR . 3466 1 45 . SER . 3466 1 46 . GLU . 3466 1 47 . ALA . 3466 1 48 . TYR . 3466 1 49 . ALA . 3466 1 50 . TYR . 3466 1 51 . ALA . 3466 1 52 . ASP . 3466 1 53 . THR . 3466 1 54 . LEU . 3466 1 55 . LYS . 3466 1 56 . LYS . 3466 1 57 . ASP . 3466 1 58 . ASN . 3466 1 59 . GLY . 3466 1 60 . GLU . 3466 1 61 . TYR . 3466 1 62 . THR . 3466 1 63 . VAL . 3466 1 64 . ASP . 3466 1 65 . VAL . 3466 1 66 . ALA . 3466 1 67 . ASP . 3466 1 68 . LYS . 3466 1 69 . GLY . 3466 1 70 . TYR . 3466 1 71 . THR . 3466 1 72 . LEU . 3466 1 73 . ASN . 3466 1 74 . ILE . 3466 1 75 . LYS . 3466 1 76 . PHE . 3466 1 77 . ALA . 3466 1 78 . GLY . 3466 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 . X 1 1 3466 1 . ASN 2 2 3466 1 . LYS 3 3 3466 1 . GLU 4 4 3466 1 . GLU 5 5 3466 1 . THR 6 6 3466 1 . PRO 7 7 3466 1 . GLU 8 8 3466 1 . THR 9 9 3466 1 . PRO 10 10 3466 1 . GLU 11 11 3466 1 . THR 12 12 3466 1 . ASP 13 13 3466 1 . SER 14 14 3466 1 . GLU 15 15 3466 1 . GLU 16 16 3466 1 . GLU 17 17 3466 1 . VAL 18 18 3466 1 . THR 19 19 3466 1 . ILE 20 20 3466 1 . LYS 21 21 3466 1 . ALA 22 22 3466 1 . ASN 23 23 3466 1 . LEU 24 24 3466 1 . ILE 25 25 3466 1 . PHE 26 26 3466 1 . ALA 27 27 3466 1 . ASN 28 28 3466 1 . GLY 29 29 3466 1 . SER 30 30 3466 1 . THR 31 31 3466 1 . GLN 32 32 3466 1 . THR 33 33 3466 1 . ALA 34 34 3466 1 . GLU 35 35 3466 1 . PHE 36 36 3466 1 . LYS 37 37 3466 1 . GLY 38 38 3466 1 . THR 39 39 3466 1 . PHE 40 40 3466 1 . GLU 41 41 3466 1 . LYS 42 42 3466 1 . ALA 43 43 3466 1 . THR 44 44 3466 1 . SER 45 45 3466 1 . GLU 46 46 3466 1 . ALA 47 47 3466 1 . TYR 48 48 3466 1 . ALA 49 49 3466 1 . TYR 50 50 3466 1 . ALA 51 51 3466 1 . ASP 52 52 3466 1 . THR 53 53 3466 1 . LEU 54 54 3466 1 . LYS 55 55 3466 1 . LYS 56 56 3466 1 . ASP 57 57 3466 1 . ASN 58 58 3466 1 . GLY 59 59 3466 1 . GLU 60 60 3466 1 . TYR 61 61 3466 1 . THR 62 62 3466 1 . VAL 63 63 3466 1 . ASP 64 64 3466 1 . VAL 65 65 3466 1 . ALA 66 66 3466 1 . ASP 67 67 3466 1 . LYS 68 68 3466 1 . GLY 69 69 3466 1 . TYR 70 70 3466 1 . THR 71 71 3466 1 . LEU 72 72 3466 1 . ASN 73 73 3466 1 . ILE 74 74 3466 1 . LYS 75 75 3466 1 . PHE 76 76 3466 1 . ALA 77 77 3466 1 . GLY 78 78 3466 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 3466 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $protein_L . 1260 organism . 'Finegoldia magna' . . . Bacteria . Finegoldia magna . . . . . . . . . . . . . . . . . . . . . 3466 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 3466 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $protein_L . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3466 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 3466 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 3466 _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 pH 6 . na 3466 1 temperature 300 . K 3466 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 3466 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 3466 _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 unknown unknown . 0 'spectrometer information not available' . . 3466 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 3466 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 3466 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 3466 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The chemical shift reference is not available at this time.' 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 . . . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 3466 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 3466 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 3466 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 2 2 ASN HA H 1 4.78 . . 1 . . . . . . . . 3466 1 2 . 1 1 2 2 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 3466 1 3 . 1 1 2 2 ASN HB3 H 1 2.77 . . 2 . . . . . . . . 3466 1 4 . 1 1 2 2 ASN HD21 H 1 7.65 . . 2 . . . . . . . . 3466 1 5 . 1 1 2 2 ASN HD22 H 1 6.91 . . 2 . . . . . . . . 3466 1 6 . 1 1 3 3 LYS H H 1 8.57 . . 1 . . . . . . . . 3466 1 7 . 1 1 3 3 LYS HA H 1 4.37 . . 1 . . . . . . . . 3466 1 8 . 1 1 3 3 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 3466 1 9 . 1 1 3 3 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 3466 1 10 . 1 1 3 3 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 3466 1 11 . 1 1 3 3 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 3466 1 12 . 1 1 3 3 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 3466 1 13 . 1 1 3 3 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 3466 1 14 . 1 1 3 3 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 3466 1 15 . 1 1 3 3 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 3466 1 16 . 1 1 4 4 GLU H H 1 8.48 . . 1 . . . . . . . . 3466 1 17 . 1 1 4 4 GLU HA H 1 4.32 . . 1 . . . . . . . . 3466 1 18 . 1 1 4 4 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 3466 1 19 . 1 1 4 4 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 3466 1 20 . 1 1 4 4 GLU HG2 H 1 2.3 . . 1 . . . . . . . . 3466 1 21 . 1 1 4 4 GLU HG3 H 1 2.3 . . 1 . . . . . . . . 3466 1 22 . 1 1 5 5 GLU H H 1 8.41 . . 1 . . . . . . . . 3466 1 23 . 1 1 5 5 GLU HA H 1 4.38 . . 1 . . . . . . . . 3466 1 24 . 1 1 5 5 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 3466 1 25 . 1 1 5 5 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 3466 1 26 . 1 1 5 5 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 3466 1 27 . 1 1 5 5 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 3466 1 28 . 1 1 6 6 THR H H 1 8.31 . . 1 . . . . . . . . 3466 1 29 . 1 1 6 6 THR HA H 1 4.65 . . 1 . . . . . . . . 3466 1 30 . 1 1 6 6 THR HB H 1 4.19 . . 1 . . . . . . . . 3466 1 31 . 1 1 6 6 THR HG21 H 1 1.27 . . 1 . . . . . . . . 3466 1 32 . 1 1 6 6 THR HG22 H 1 1.27 . . 1 . . . . . . . . 3466 1 33 . 1 1 6 6 THR HG23 H 1 1.27 . . 1 . . . . . . . . 3466 1 34 . 1 1 7 7 PRO HA H 1 4.47 . . 1 . . . . . . . . 3466 1 35 . 1 1 7 7 PRO HB2 H 1 2.32 . . 2 . . . . . . . . 3466 1 36 . 1 1 7 7 PRO HB3 H 1 1.94 . . 2 . . . . . . . . 3466 1 37 . 1 1 7 7 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 3466 1 38 . 1 1 7 7 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 3466 1 39 . 1 1 7 7 PRO HD2 H 1 3.86 . . 2 . . . . . . . . 3466 1 40 . 1 1 7 7 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 3466 1 41 . 1 1 8 8 GLU H H 1 8.54 . . 1 . . . . . . . . 3466 1 42 . 1 1 8 8 GLU HA H 1 4.33 . . 1 . . . . . . . . 3466 1 43 . 1 1 8 8 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 3466 1 44 . 1 1 8 8 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 3466 1 45 . 1 1 8 8 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 3466 1 46 . 1 1 8 8 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 3466 1 47 . 1 1 9 9 THR H H 1 8.28 . . 1 . . . . . . . . 3466 1 48 . 1 1 9 9 THR HA H 1 4.63 . . 1 . . . . . . . . 3466 1 49 . 1 1 9 9 THR HB H 1 4.19 . . 1 . . . . . . . . 3466 1 50 . 1 1 9 9 THR HG21 H 1 1.27 . . 1 . . . . . . . . 3466 1 51 . 1 1 9 9 THR HG22 H 1 1.27 . . 1 . . . . . . . . 3466 1 52 . 1 1 9 9 THR HG23 H 1 1.27 . . 1 . . . . . . . . 3466 1 53 . 1 1 10 10 PRO HA H 1 4.45 . . 1 . . . . . . . . 3466 1 54 . 1 1 10 10 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 3466 1 55 . 1 1 10 10 PRO HB3 H 1 1.92 . . 2 . . . . . . . . 3466 1 56 . 1 1 10 10 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 3466 1 57 . 1 1 10 10 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 3466 1 58 . 1 1 10 10 PRO HD2 H 1 3.86 . . 2 . . . . . . . . 3466 1 59 . 1 1 10 10 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 3466 1 60 . 1 1 11 11 GLU H H 1 8.6 . . 1 . . . . . . . . 3466 1 61 . 1 1 11 11 GLU HA H 1 4.36 . . 1 . . . . . . . . 3466 1 62 . 1 1 11 11 GLU HB2 H 1 2.11 . . 2 . . . . . . . . 3466 1 63 . 1 1 11 11 GLU HB3 H 1 2 . . 2 . . . . . . . . 3466 1 64 . 1 1 11 11 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 3466 1 65 . 1 1 11 11 GLU HG3 H 1 2.34 . . 1 . . . . . . . . 3466 1 66 . 1 1 12 12 THR H H 1 8.18 . . 1 . . . . . . . . 3466 1 67 . 1 1 12 12 THR HA H 1 4.4 . . 1 . . . . . . . . 3466 1 68 . 1 1 12 12 THR HB H 1 4.25 . . 1 . . . . . . . . 3466 1 69 . 1 1 12 12 THR HG21 H 1 1.22 . . 1 . . . . . . . . 3466 1 70 . 1 1 12 12 THR HG22 H 1 1.22 . . 1 . . . . . . . . 3466 1 71 . 1 1 12 12 THR HG23 H 1 1.22 . . 1 . . . . . . . . 3466 1 72 . 1 1 13 13 ASP H H 1 8.42 . . 1 . . . . . . . . 3466 1 73 . 1 1 13 13 ASP HA H 1 4.68 . . 1 . . . . . . . . 3466 1 74 . 1 1 13 13 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 3466 1 75 . 1 1 13 13 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 3466 1 76 . 1 1 14 14 SER H H 1 8.33 . . 1 . . . . . . . . 3466 1 77 . 1 1 14 14 SER HA H 1 4.5 . . 1 . . . . . . . . 3466 1 78 . 1 1 14 14 SER HB2 H 1 3.94 . . 2 . . . . . . . . 3466 1 79 . 1 1 14 14 SER HB3 H 1 3.88 . . 2 . . . . . . . . 3466 1 80 . 1 1 15 15 GLU H H 1 8.5 . . 1 . . . . . . . . 3466 1 81 . 1 1 15 15 GLU HA H 1 4.41 . . 1 . . . . . . . . 3466 1 82 . 1 1 15 15 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 3466 1 83 . 1 1 15 15 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 3466 1 84 . 1 1 15 15 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 3466 1 85 . 1 1 15 15 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 3466 1 86 . 1 1 16 16 GLU H H 1 8.33 . . 1 . . . . . . . . 3466 1 87 . 1 1 16 16 GLU HA H 1 4.26 . . 1 . . . . . . . . 3466 1 88 . 1 1 16 16 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 3466 1 89 . 1 1 16 16 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 3466 1 90 . 1 1 16 16 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 3466 1 91 . 1 1 16 16 GLU HG3 H 1 2.34 . . 1 . . . . . . . . 3466 1 92 . 1 1 17 17 GLU H H 1 8.37 . . 1 . . . . . . . . 3466 1 93 . 1 1 17 17 GLU HA H 1 4.22 . . 1 . . . . . . . . 3466 1 94 . 1 1 17 17 GLU HB2 H 1 2.11 . . 2 . . . . . . . . 3466 1 95 . 1 1 17 17 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 3466 1 96 . 1 1 17 17 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 3466 1 97 . 1 1 17 17 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 3466 1 98 . 1 1 18 18 VAL H H 1 9.13 . . 1 . . . . . . . . 3466 1 99 . 1 1 18 18 VAL HA H 1 4.77 . . 1 . . . . . . . . 3466 1 100 . 1 1 18 18 VAL HB H 1 2.48 . . 1 . . . . . . . . 3466 1 101 . 1 1 18 18 VAL HG11 H 1 1.14 . . 2 . . . . . . . . 3466 1 102 . 1 1 18 18 VAL HG12 H 1 1.14 . . 2 . . . . . . . . 3466 1 103 . 1 1 18 18 VAL HG13 H 1 1.14 . . 2 . . . . . . . . 3466 1 104 . 1 1 18 18 VAL HG21 H 1 .95 . . 2 . . . . . . . . 3466 1 105 . 1 1 18 18 VAL HG22 H 1 .95 . . 2 . . . . . . . . 3466 1 106 . 1 1 18 18 VAL HG23 H 1 .95 . . 2 . . . . . . . . 3466 1 107 . 1 1 19 19 THR H H 1 8.11 . . 1 . . . . . . . . 3466 1 108 . 1 1 19 19 THR HA H 1 5.06 . . 1 . . . . . . . . 3466 1 109 . 1 1 19 19 THR HB H 1 3.92 . . 1 . . . . . . . . 3466 1 110 . 1 1 19 19 THR HG21 H 1 1.04 . . 1 . . . . . . . . 3466 1 111 . 1 1 19 19 THR HG22 H 1 1.04 . . 1 . . . . . . . . 3466 1 112 . 1 1 19 19 THR HG23 H 1 1.04 . . 1 . . . . . . . . 3466 1 113 . 1 1 20 20 ILE H H 1 9.36 . . 1 . . . . . . . . 3466 1 114 . 1 1 20 20 ILE HA H 1 4.79 . . 1 . . . . . . . . 3466 1 115 . 1 1 20 20 ILE HB H 1 1.87 . . 1 . . . . . . . . 3466 1 116 . 1 1 20 20 ILE HG12 H 1 1.26 . . 2 . . . . . . . . 3466 1 117 . 1 1 20 20 ILE HG13 H 1 1.1 . . 2 . . . . . . . . 3466 1 118 . 1 1 20 20 ILE HG21 H 1 .69 . . 1 . . . . . . . . 3466 1 119 . 1 1 20 20 ILE HG22 H 1 .69 . . 1 . . . . . . . . 3466 1 120 . 1 1 20 20 ILE HG23 H 1 .69 . . 1 . . . . . . . . 3466 1 121 . 1 1 20 20 ILE HD11 H 1 .44 . . 1 . . . . . . . . 3466 1 122 . 1 1 20 20 ILE HD12 H 1 .44 . . 1 . . . . . . . . 3466 1 123 . 1 1 20 20 ILE HD13 H 1 .44 . . 1 . . . . . . . . 3466 1 124 . 1 1 21 21 LYS H H 1 8.73 . . 1 . . . . . . . . 3466 1 125 . 1 1 21 21 LYS HA H 1 4.84 . . 1 . . . . . . . . 3466 1 126 . 1 1 21 21 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 3466 1 127 . 1 1 21 21 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 3466 1 128 . 1 1 21 21 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 3466 1 129 . 1 1 21 21 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 3466 1 130 . 1 1 21 21 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 3466 1 131 . 1 1 21 21 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 3466 1 132 . 1 1 21 21 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 3466 1 133 . 1 1 21 21 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 3466 1 134 . 1 1 22 22 ALA H H 1 9.31 . . 1 . . . . . . . . 3466 1 135 . 1 1 22 22 ALA HA H 1 5.48 . . 1 . . . . . . . . 3466 1 136 . 1 1 22 22 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 3466 1 137 . 1 1 22 22 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 3466 1 138 . 1 1 22 22 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 3466 1 139 . 1 1 23 23 ASN H H 1 9.19 . . 1 . . . . . . . . 3466 1 140 . 1 1 23 23 ASN HA H 1 5.18 . . 1 . . . . . . . . 3466 1 141 . 1 1 23 23 ASN HB2 H 1 3.2 . . 2 . . . . . . . . 3466 1 142 . 1 1 23 23 ASN HB3 H 1 2.53 . . 2 . . . . . . . . 3466 1 143 . 1 1 23 23 ASN HD21 H 1 7.58 . . 2 . . . . . . . . 3466 1 144 . 1 1 23 23 ASN HD22 H 1 6.78 . . 2 . . . . . . . . 3466 1 145 . 1 1 24 24 LEU H H 1 9.36 . . 1 . . . . . . . . 3466 1 146 . 1 1 24 24 LEU HA H 1 4.94 . . 1 . . . . . . . . 3466 1 147 . 1 1 24 24 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 3466 1 148 . 1 1 24 24 LEU HB3 H 1 1.87 . . 1 . . . . . . . . 3466 1 149 . 1 1 24 24 LEU HG H 1 1.76 . . 1 . . . . . . . . 3466 1 150 . 1 1 24 24 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 3466 1 151 . 1 1 24 24 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 3466 1 152 . 1 1 24 24 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 3466 1 153 . 1 1 24 24 LEU HD21 H 1 .93 . . 2 . . . . . . . . 3466 1 154 . 1 1 24 24 LEU HD22 H 1 .93 . . 2 . . . . . . . . 3466 1 155 . 1 1 24 24 LEU HD23 H 1 .93 . . 2 . . . . . . . . 3466 1 156 . 1 1 25 25 ILE H H 1 9.06 . . 1 . . . . . . . . 3466 1 157 . 1 1 25 25 ILE HA H 1 4.44 . . 1 . . . . . . . . 3466 1 158 . 1 1 25 25 ILE HB H 1 1.71 . . 1 . . . . . . . . 3466 1 159 . 1 1 25 25 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 3466 1 160 . 1 1 25 25 ILE HG13 H 1 .95 . . 2 . . . . . . . . 3466 1 161 . 1 1 25 25 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 3466 1 162 . 1 1 25 25 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 3466 1 163 . 1 1 25 25 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 3466 1 164 . 1 1 25 25 ILE HD11 H 1 .78 . . 1 . . . . . . . . 3466 1 165 . 1 1 25 25 ILE HD12 H 1 .78 . . 1 . . . . . . . . 3466 1 166 . 1 1 25 25 ILE HD13 H 1 .78 . . 1 . . . . . . . . 3466 1 167 . 1 1 26 26 PHE H H 1 8.59 . . 1 . . . . . . . . 3466 1 168 . 1 1 26 26 PHE HA H 1 4.94 . . 1 . . . . . . . . 3466 1 169 . 1 1 26 26 PHE HB2 H 1 3.37 . . 2 . . . . . . . . 3466 1 170 . 1 1 26 26 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 3466 1 171 . 1 1 26 26 PHE HD1 H 1 7 . . 1 . . . . . . . . 3466 1 172 . 1 1 26 26 PHE HD2 H 1 7 . . 1 . . . . . . . . 3466 1 173 . 1 1 26 26 PHE HE1 H 1 6.67 . . 1 . . . . . . . . 3466 1 174 . 1 1 26 26 PHE HE2 H 1 6.67 . . 1 . . . . . . . . 3466 1 175 . 1 1 26 26 PHE HZ H 1 6.91 . . 1 . . . . . . . . 3466 1 176 . 1 1 27 27 ALA H H 1 9.28 . . 1 . . . . . . . . 3466 1 177 . 1 1 27 27 ALA HA H 1 4.27 . . 1 . . . . . . . . 3466 1 178 . 1 1 27 27 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 3466 1 179 . 1 1 27 27 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 3466 1 180 . 1 1 27 27 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 3466 1 181 . 1 1 28 28 ASN H H 1 7.97 . . 1 . . . . . . . . 3466 1 182 . 1 1 28 28 ASN HA H 1 4.68 . . 1 . . . . . . . . 3466 1 183 . 1 1 28 28 ASN HB2 H 1 3.35 . . 2 . . . . . . . . 3466 1 184 . 1 1 28 28 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 3466 1 185 . 1 1 28 28 ASN HD21 H 1 7.66 . . 2 . . . . . . . . 3466 1 186 . 1 1 28 28 ASN HD22 H 1 6.98 . . 2 . . . . . . . . 3466 1 187 . 1 1 29 29 GLY H H 1 8.34 . . 1 . . . . . . . . 3466 1 188 . 1 1 29 29 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 3466 1 189 . 1 1 29 29 GLY HA3 H 1 4.4 . . 2 . . . . . . . . 3466 1 190 . 1 1 30 30 SER H H 1 8 . . 1 . . . . . . . . 3466 1 191 . 1 1 30 30 SER HA H 1 4.63 . . 1 . . . . . . . . 3466 1 192 . 1 1 30 30 SER HB2 H 1 4.14 . . 2 . . . . . . . . 3466 1 193 . 1 1 30 30 SER HB3 H 1 4.05 . . 2 . . . . . . . . 3466 1 194 . 1 1 31 31 THR H H 1 8.32 . . 1 . . . . . . . . 3466 1 195 . 1 1 31 31 THR HA H 1 5.73 . . 1 . . . . . . . . 3466 1 196 . 1 1 31 31 THR HB H 1 4.16 . . 1 . . . . . . . . 3466 1 197 . 1 1 31 31 THR HG21 H 1 1.19 . . 1 . . . . . . . . 3466 1 198 . 1 1 31 31 THR HG22 H 1 1.19 . . 1 . . . . . . . . 3466 1 199 . 1 1 31 31 THR HG23 H 1 1.19 . . 1 . . . . . . . . 3466 1 200 . 1 1 32 32 GLN H H 1 9.1 . . 1 . . . . . . . . 3466 1 201 . 1 1 32 32 GLN HA H 1 4.82 . . 1 . . . . . . . . 3466 1 202 . 1 1 32 32 GLN HB2 H 1 2.31 . . 2 . . . . . . . . 3466 1 203 . 1 1 32 32 GLN HB3 H 1 2.22 . . 2 . . . . . . . . 3466 1 204 . 1 1 32 32 GLN HG2 H 1 2.57 . . 2 . . . . . . . . 3466 1 205 . 1 1 32 32 GLN HG3 H 1 2.5 . . 2 . . . . . . . . 3466 1 206 . 1 1 32 32 GLN HE21 H 1 7.52 . . 2 . . . . . . . . 3466 1 207 . 1 1 32 32 GLN HE22 H 1 6.79 . . 2 . . . . . . . . 3466 1 208 . 1 1 33 33 THR H H 1 8.78 . . 1 . . . . . . . . 3466 1 209 . 1 1 33 33 THR HA H 1 5.55 . . 1 . . . . . . . . 3466 1 210 . 1 1 33 33 THR HB H 1 4.05 . . 1 . . . . . . . . 3466 1 211 . 1 1 33 33 THR HG21 H 1 1.26 . . 1 . . . . . . . . 3466 1 212 . 1 1 33 33 THR HG22 H 1 1.26 . . 1 . . . . . . . . 3466 1 213 . 1 1 33 33 THR HG23 H 1 1.26 . . 1 . . . . . . . . 3466 1 214 . 1 1 34 34 ALA H H 1 9.21 . . 1 . . . . . . . . 3466 1 215 . 1 1 34 34 ALA HA H 1 4.6 . . 1 . . . . . . . . 3466 1 216 . 1 1 34 34 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 3466 1 217 . 1 1 34 34 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 3466 1 218 . 1 1 34 34 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 3466 1 219 . 1 1 35 35 GLU H H 1 7.94 . . 1 . . . . . . . . 3466 1 220 . 1 1 35 35 GLU HA H 1 5.16 . . 1 . . . . . . . . 3466 1 221 . 1 1 35 35 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 3466 1 222 . 1 1 35 35 GLU HB3 H 1 1.7 . . 2 . . . . . . . . 3466 1 223 . 1 1 35 35 GLU HG2 H 1 2.1 . . 1 . . . . . . . . 3466 1 224 . 1 1 35 35 GLU HG3 H 1 2.1 . . 1 . . . . . . . . 3466 1 225 . 1 1 36 36 PHE H H 1 8.96 . . 1 . . . . . . . . 3466 1 226 . 1 1 36 36 PHE HA H 1 4.61 . . 1 . . . . . . . . 3466 1 227 . 1 1 36 36 PHE HB2 H 1 3.16 . . 2 . . . . . . . . 3466 1 228 . 1 1 36 36 PHE HB3 H 1 2.6 . . 2 . . . . . . . . 3466 1 229 . 1 1 36 36 PHE HD1 H 1 7.1 . . 1 . . . . . . . . 3466 1 230 . 1 1 36 36 PHE HD2 H 1 7.1 . . 1 . . . . . . . . 3466 1 231 . 1 1 36 36 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 3466 1 232 . 1 1 36 36 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 3466 1 233 . 1 1 36 36 PHE HZ H 1 6.63 . . 1 . . . . . . . . 3466 1 234 . 1 1 37 37 LYS H H 1 8.79 . . 1 . . . . . . . . 3466 1 235 . 1 1 37 37 LYS HA H 1 5.7 . . 1 . . . . . . . . 3466 1 236 . 1 1 37 37 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 3466 1 237 . 1 1 37 37 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 3466 1 238 . 1 1 37 37 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 3466 1 239 . 1 1 37 37 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 3466 1 240 . 1 1 37 37 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 3466 1 241 . 1 1 37 37 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 3466 1 242 . 1 1 37 37 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 3466 1 243 . 1 1 37 37 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 3466 1 244 . 1 1 38 38 GLY H H 1 8.52 . . 1 . . . . . . . . 3466 1 245 . 1 1 38 38 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 3466 1 246 . 1 1 38 38 GLY HA3 H 1 4.22 . . 2 . . . . . . . . 3466 1 247 . 1 1 39 39 THR H H 1 8.06 . . 1 . . . . . . . . 3466 1 248 . 1 1 39 39 THR HA H 1 4.78 . . 1 . . . . . . . . 3466 1 249 . 1 1 39 39 THR HB H 1 4.37 . . 1 . . . . . . . . 3466 1 250 . 1 1 39 39 THR HG21 H 1 1.42 . . 1 . . . . . . . . 3466 1 251 . 1 1 39 39 THR HG22 H 1 1.42 . . 1 . . . . . . . . 3466 1 252 . 1 1 39 39 THR HG23 H 1 1.42 . . 1 . . . . . . . . 3466 1 253 . 1 1 40 40 PHE H H 1 9.52 . . 1 . . . . . . . . 3466 1 254 . 1 1 40 40 PHE HA H 1 3.78 . . 1 . . . . . . . . 3466 1 255 . 1 1 40 40 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 3466 1 256 . 1 1 40 40 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 3466 1 257 . 1 1 40 40 PHE HD1 H 1 6.96 . . 1 . . . . . . . . 3466 1 258 . 1 1 40 40 PHE HD2 H 1 6.96 . . 1 . . . . . . . . 3466 1 259 . 1 1 40 40 PHE HE1 H 1 6.78 . . 1 . . . . . . . . 3466 1 260 . 1 1 40 40 PHE HE2 H 1 6.78 . . 1 . . . . . . . . 3466 1 261 . 1 1 40 40 PHE HZ H 1 7.1 . . 1 . . . . . . . . 3466 1 262 . 1 1 41 41 GLU H H 1 9.2 . . 1 . . . . . . . . 3466 1 263 . 1 1 41 41 GLU HA H 1 3.99 . . 1 . . . . . . . . 3466 1 264 . 1 1 41 41 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 3466 1 265 . 1 1 41 41 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 3466 1 266 . 1 1 41 41 GLU HG2 H 1 2.41 . . 1 . . . . . . . . 3466 1 267 . 1 1 41 41 GLU HG3 H 1 2.41 . . 1 . . . . . . . . 3466 1 268 . 1 1 42 42 LYS H H 1 7.64 . . 1 . . . . . . . . 3466 1 269 . 1 1 42 42 LYS HA H 1 4.07 . . 1 . . . . . . . . 3466 1 270 . 1 1 42 42 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 3466 1 271 . 1 1 42 42 LYS HB3 H 1 1.94 . . 1 . . . . . . . . 3466 1 272 . 1 1 42 42 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 3466 1 273 . 1 1 42 42 LYS HG3 H 1 1.52 . . 1 . . . . . . . . 3466 1 274 . 1 1 42 42 LYS HD2 H 1 1.79 . . 1 . . . . . . . . 3466 1 275 . 1 1 42 42 LYS HD3 H 1 1.79 . . 1 . . . . . . . . 3466 1 276 . 1 1 42 42 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 3466 1 277 . 1 1 42 42 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 3466 1 278 . 1 1 43 43 ALA H H 1 9.18 . . 1 . . . . . . . . 3466 1 279 . 1 1 43 43 ALA HA H 1 3.99 . . 1 . . . . . . . . 3466 1 280 . 1 1 43 43 ALA HB1 H 1 1.04 . . 1 . . . . . . . . 3466 1 281 . 1 1 43 43 ALA HB2 H 1 1.04 . . 1 . . . . . . . . 3466 1 282 . 1 1 43 43 ALA HB3 H 1 1.04 . . 1 . . . . . . . . 3466 1 283 . 1 1 44 44 THR H H 1 7.54 . . 1 . . . . . . . . 3466 1 284 . 1 1 44 44 THR HA H 1 3.41 . . 1 . . . . . . . . 3466 1 285 . 1 1 44 44 THR HB H 1 3.97 . . 1 . . . . . . . . 3466 1 286 . 1 1 44 44 THR HG21 H 1 1.11 . . 1 . . . . . . . . 3466 1 287 . 1 1 44 44 THR HG22 H 1 1.11 . . 1 . . . . . . . . 3466 1 288 . 1 1 44 44 THR HG23 H 1 1.11 . . 1 . . . . . . . . 3466 1 289 . 1 1 45 45 SER H H 1 7.66 . . 1 . . . . . . . . 3466 1 290 . 1 1 45 45 SER HA H 1 4.21 . . 1 . . . . . . . . 3466 1 291 . 1 1 45 45 SER HB2 H 1 4.03 . . 1 . . . . . . . . 3466 1 292 . 1 1 45 45 SER HB3 H 1 4.03 . . 1 . . . . . . . . 3466 1 293 . 1 1 46 46 GLU H H 1 8.29 . . 1 . . . . . . . . 3466 1 294 . 1 1 46 46 GLU HA H 1 3.94 . . 1 . . . . . . . . 3466 1 295 . 1 1 46 46 GLU HB2 H 1 2.33 . . 2 . . . . . . . . 3466 1 296 . 1 1 46 46 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 3466 1 297 . 1 1 46 46 GLU HG2 H 1 2.57 . . 1 . . . . . . . . 3466 1 298 . 1 1 46 46 GLU HG3 H 1 2.57 . . 1 . . . . . . . . 3466 1 299 . 1 1 47 47 ALA H H 1 7.44 . . 1 . . . . . . . . 3466 1 300 . 1 1 47 47 ALA HA H 1 2.67 . . 1 . . . . . . . . 3466 1 301 . 1 1 47 47 ALA HB1 H 1 .8 . . 1 . . . . . . . . 3466 1 302 . 1 1 47 47 ALA HB2 H 1 .8 . . 1 . . . . . . . . 3466 1 303 . 1 1 47 47 ALA HB3 H 1 .8 . . 1 . . . . . . . . 3466 1 304 . 1 1 48 48 TYR H H 1 7.58 . . 1 . . . . . . . . 3466 1 305 . 1 1 48 48 TYR HA H 1 3.97 . . 1 . . . . . . . . 3466 1 306 . 1 1 48 48 TYR HB2 H 1 3.11 . . 2 . . . . . . . . 3466 1 307 . 1 1 48 48 TYR HB3 H 1 2.78 . . 2 . . . . . . . . 3466 1 308 . 1 1 48 48 TYR HD1 H 1 7.26 . . 1 . . . . . . . . 3466 1 309 . 1 1 48 48 TYR HD2 H 1 7.26 . . 1 . . . . . . . . 3466 1 310 . 1 1 48 48 TYR HE1 H 1 6.67 . . 1 . . . . . . . . 3466 1 311 . 1 1 48 48 TYR HE2 H 1 6.67 . . 1 . . . . . . . . 3466 1 312 . 1 1 49 49 ALA H H 1 8.14 . . 1 . . . . . . . . 3466 1 313 . 1 1 49 49 ALA HA H 1 4.22 . . 1 . . . . . . . . 3466 1 314 . 1 1 49 49 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 3466 1 315 . 1 1 49 49 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 3466 1 316 . 1 1 49 49 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 3466 1 317 . 1 1 50 50 TYR H H 1 8.13 . . 1 . . . . . . . . 3466 1 318 . 1 1 50 50 TYR HA H 1 4.47 . . 1 . . . . . . . . 3466 1 319 . 1 1 50 50 TYR HB2 H 1 3.32 . . 2 . . . . . . . . 3466 1 320 . 1 1 50 50 TYR HB3 H 1 3.11 . . 2 . . . . . . . . 3466 1 321 . 1 1 50 50 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 3466 1 322 . 1 1 50 50 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 3466 1 323 . 1 1 50 50 TYR HE1 H 1 6.86 . . 1 . . . . . . . . 3466 1 324 . 1 1 50 50 TYR HE2 H 1 6.86 . . 1 . . . . . . . . 3466 1 325 . 1 1 51 51 ALA H H 1 8.27 . . 1 . . . . . . . . 3466 1 326 . 1 1 51 51 ALA HA H 1 3.77 . . 1 . . . . . . . . 3466 1 327 . 1 1 51 51 ALA HB1 H 1 .89 . . 1 . . . . . . . . 3466 1 328 . 1 1 51 51 ALA HB2 H 1 .89 . . 1 . . . . . . . . 3466 1 329 . 1 1 51 51 ALA HB3 H 1 .89 . . 1 . . . . . . . . 3466 1 330 . 1 1 52 52 ASP H H 1 8.73 . . 1 . . . . . . . . 3466 1 331 . 1 1 52 52 ASP HA H 1 4.87 . . 1 . . . . . . . . 3466 1 332 . 1 1 52 52 ASP HB2 H 1 3.09 . . 2 . . . . . . . . 3466 1 333 . 1 1 52 52 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 3466 1 334 . 1 1 53 53 THR H H 1 7.95 . . 1 . . . . . . . . 3466 1 335 . 1 1 53 53 THR HA H 1 4.27 . . 1 . . . . . . . . 3466 1 336 . 1 1 53 53 THR HB H 1 4.39 . . 1 . . . . . . . . 3466 1 337 . 1 1 53 53 THR HG21 H 1 1.51 . . 1 . . . . . . . . 3466 1 338 . 1 1 53 53 THR HG22 H 1 1.51 . . 1 . . . . . . . . 3466 1 339 . 1 1 53 53 THR HG23 H 1 1.51 . . 1 . . . . . . . . 3466 1 340 . 1 1 54 54 LEU H H 1 7.62 . . 1 . . . . . . . . 3466 1 341 . 1 1 54 54 LEU HA H 1 4.42 . . 1 . . . . . . . . 3466 1 342 . 1 1 54 54 LEU HB2 H 1 2.12 . . 1 . . . . . . . . 3466 1 343 . 1 1 54 54 LEU HB3 H 1 2.12 . . 1 . . . . . . . . 3466 1 344 . 1 1 54 54 LEU HG H 1 1.41 . . 1 . . . . . . . . 3466 1 345 . 1 1 54 54 LEU HD11 H 1 1.08 . . 2 . . . . . . . . 3466 1 346 . 1 1 54 54 LEU HD12 H 1 1.08 . . 2 . . . . . . . . 3466 1 347 . 1 1 54 54 LEU HD13 H 1 1.08 . . 2 . . . . . . . . 3466 1 348 . 1 1 54 54 LEU HD21 H 1 .68 . . 2 . . . . . . . . 3466 1 349 . 1 1 54 54 LEU HD22 H 1 .68 . . 2 . . . . . . . . 3466 1 350 . 1 1 54 54 LEU HD23 H 1 .68 . . 2 . . . . . . . . 3466 1 351 . 1 1 55 55 LYS H H 1 7.87 . . 1 . . . . . . . . 3466 1 352 . 1 1 55 55 LYS HA H 1 4.82 . . 1 . . . . . . . . 3466 1 353 . 1 1 55 55 LYS HB2 H 1 2.11 . . 2 . . . . . . . . 3466 1 354 . 1 1 55 55 LYS HB3 H 1 2.05 . . 2 . . . . . . . . 3466 1 355 . 1 1 55 55 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 3466 1 356 . 1 1 55 55 LYS HG3 H 1 1.52 . . 1 . . . . . . . . 3466 1 357 . 1 1 55 55 LYS HD2 H 1 1.92 . . 1 . . . . . . . . 3466 1 358 . 1 1 55 55 LYS HD3 H 1 1.92 . . 1 . . . . . . . . 3466 1 359 . 1 1 55 55 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 3466 1 360 . 1 1 55 55 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 3466 1 361 . 1 1 56 56 LYS H H 1 7.93 . . 1 . . . . . . . . 3466 1 362 . 1 1 56 56 LYS HA H 1 4.02 . . 1 . . . . . . . . 3466 1 363 . 1 1 56 56 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 3466 1 364 . 1 1 56 56 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 3466 1 365 . 1 1 56 56 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 3466 1 366 . 1 1 56 56 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 3466 1 367 . 1 1 56 56 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 3466 1 368 . 1 1 56 56 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 3466 1 369 . 1 1 56 56 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 3466 1 370 . 1 1 56 56 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 3466 1 371 . 1 1 57 57 ASP H H 1 7.63 . . 1 . . . . . . . . 3466 1 372 . 1 1 57 57 ASP HA H 1 4.87 . . 1 . . . . . . . . 3466 1 373 . 1 1 57 57 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 3466 1 374 . 1 1 57 57 ASP HB3 H 1 2.36 . . 2 . . . . . . . . 3466 1 375 . 1 1 58 58 ASN H H 1 7.84 . . 1 . . . . . . . . 3466 1 376 . 1 1 58 58 ASN HA H 1 4.94 . . 1 . . . . . . . . 3466 1 377 . 1 1 58 58 ASN HB2 H 1 2.54 . . 2 . . . . . . . . 3466 1 378 . 1 1 58 58 ASN HB3 H 1 2.16 . . 2 . . . . . . . . 3466 1 379 . 1 1 58 58 ASN HD21 H 1 7.41 . . 2 . . . . . . . . 3466 1 380 . 1 1 58 58 ASN HD22 H 1 7.25 . . 2 . . . . . . . . 3466 1 381 . 1 1 59 59 GLY H H 1 8.49 . . 1 . . . . . . . . 3466 1 382 . 1 1 59 59 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 3466 1 383 . 1 1 59 59 GLY HA3 H 1 4.52 . . 2 . . . . . . . . 3466 1 384 . 1 1 60 60 GLU H H 1 8.05 . . 1 . . . . . . . . 3466 1 385 . 1 1 60 60 GLU HA H 1 4.07 . . 1 . . . . . . . . 3466 1 386 . 1 1 60 60 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 3466 1 387 . 1 1 60 60 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 3466 1 388 . 1 1 60 60 GLU HG2 H 1 2.39 . . 2 . . . . . . . . 3466 1 389 . 1 1 60 60 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 3466 1 390 . 1 1 61 61 TYR H H 1 7.72 . . 1 . . . . . . . . 3466 1 391 . 1 1 61 61 TYR HA H 1 5.72 . . 1 . . . . . . . . 3466 1 392 . 1 1 61 61 TYR HB2 H 1 2.02 . . 2 . . . . . . . . 3466 1 393 . 1 1 61 61 TYR HB3 H 1 1.47 . . 2 . . . . . . . . 3466 1 394 . 1 1 61 61 TYR HD1 H 1 6.52 . . 1 . . . . . . . . 3466 1 395 . 1 1 61 61 TYR HD2 H 1 6.52 . . 1 . . . . . . . . 3466 1 396 . 1 1 61 61 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 3466 1 397 . 1 1 61 61 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 3466 1 398 . 1 1 62 62 THR H H 1 8.43 . . 1 . . . . . . . . 3466 1 399 . 1 1 62 62 THR HA H 1 4.58 . . 1 . . . . . . . . 3466 1 400 . 1 1 62 62 THR HB H 1 4.2 . . 1 . . . . . . . . 3466 1 401 . 1 1 62 62 THR HG21 H 1 1.2 . . 1 . . . . . . . . 3466 1 402 . 1 1 62 62 THR HG22 H 1 1.2 . . 1 . . . . . . . . 3466 1 403 . 1 1 62 62 THR HG23 H 1 1.2 . . 1 . . . . . . . . 3466 1 404 . 1 1 63 63 VAL H H 1 8.65 . . 1 . . . . . . . . 3466 1 405 . 1 1 63 63 VAL HA H 1 4.87 . . 1 . . . . . . . . 3466 1 406 . 1 1 63 63 VAL HB H 1 2.07 . . 1 . . . . . . . . 3466 1 407 . 1 1 63 63 VAL HG11 H 1 1 . . 2 . . . . . . . . 3466 1 408 . 1 1 63 63 VAL HG12 H 1 1 . . 2 . . . . . . . . 3466 1 409 . 1 1 63 63 VAL HG13 H 1 1 . . 2 . . . . . . . . 3466 1 410 . 1 1 63 63 VAL HG21 H 1 .9 . . 2 . . . . . . . . 3466 1 411 . 1 1 63 63 VAL HG22 H 1 .9 . . 2 . . . . . . . . 3466 1 412 . 1 1 63 63 VAL HG23 H 1 .9 . . 2 . . . . . . . . 3466 1 413 . 1 1 64 64 ASP H H 1 9.02 . . 1 . . . . . . . . 3466 1 414 . 1 1 64 64 ASP HA H 1 5.08 . . 1 . . . . . . . . 3466 1 415 . 1 1 64 64 ASP HB2 H 1 2.78 . . 2 . . . . . . . . 3466 1 416 . 1 1 64 64 ASP HB3 H 1 2.7 . . 2 . . . . . . . . 3466 1 417 . 1 1 65 65 VAL H H 1 8.68 . . 1 . . . . . . . . 3466 1 418 . 1 1 65 65 VAL HA H 1 4.3 . . 1 . . . . . . . . 3466 1 419 . 1 1 65 65 VAL HB H 1 2.06 . . 1 . . . . . . . . 3466 1 420 . 1 1 65 65 VAL HG11 H 1 .99 . . 1 . . . . . . . . 3466 1 421 . 1 1 65 65 VAL HG12 H 1 .99 . . 1 . . . . . . . . 3466 1 422 . 1 1 65 65 VAL HG13 H 1 .99 . . 1 . . . . . . . . 3466 1 423 . 1 1 65 65 VAL HG21 H 1 .99 . . 1 . . . . . . . . 3466 1 424 . 1 1 65 65 VAL HG22 H 1 .99 . . 1 . . . . . . . . 3466 1 425 . 1 1 65 65 VAL HG23 H 1 .99 . . 1 . . . . . . . . 3466 1 426 . 1 1 66 66 ALA H H 1 9.32 . . 1 . . . . . . . . 3466 1 427 . 1 1 66 66 ALA HA H 1 4.95 . . 1 . . . . . . . . 3466 1 428 . 1 1 66 66 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 3466 1 429 . 1 1 66 66 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 3466 1 430 . 1 1 66 66 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 3466 1 431 . 1 1 67 67 ASP H H 1 9.13 . . 1 . . . . . . . . 3466 1 432 . 1 1 67 67 ASP HA H 1 4.44 . . 1 . . . . . . . . 3466 1 433 . 1 1 67 67 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 3466 1 434 . 1 1 67 67 ASP HB3 H 1 2.84 . . 2 . . . . . . . . 3466 1 435 . 1 1 68 68 LYS H H 1 8.99 . . 1 . . . . . . . . 3466 1 436 . 1 1 68 68 LYS HA H 1 3.88 . . 1 . . . . . . . . 3466 1 437 . 1 1 68 68 LYS HB2 H 1 2.18 . . 1 . . . . . . . . 3466 1 438 . 1 1 68 68 LYS HB3 H 1 2.18 . . 1 . . . . . . . . 3466 1 439 . 1 1 68 68 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 3466 1 440 . 1 1 68 68 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 3466 1 441 . 1 1 68 68 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 3466 1 442 . 1 1 68 68 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 3466 1 443 . 1 1 68 68 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 3466 1 444 . 1 1 68 68 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 3466 1 445 . 1 1 69 69 GLY H H 1 7.68 . . 1 . . . . . . . . 3466 1 446 . 1 1 69 69 GLY HA2 H 1 3.44 . . 2 . . . . . . . . 3466 1 447 . 1 1 69 69 GLY HA3 H 1 4.56 . . 2 . . . . . . . . 3466 1 448 . 1 1 70 70 TYR H H 1 7.72 . . 1 . . . . . . . . 3466 1 449 . 1 1 70 70 TYR HA H 1 4.59 . . 1 . . . . . . . . 3466 1 450 . 1 1 70 70 TYR HB2 H 1 3.6 . . 2 . . . . . . . . 3466 1 451 . 1 1 70 70 TYR HB3 H 1 3.13 . . 2 . . . . . . . . 3466 1 452 . 1 1 70 70 TYR HD1 H 1 7.54 . . 1 . . . . . . . . 3466 1 453 . 1 1 70 70 TYR HD2 H 1 7.54 . . 1 . . . . . . . . 3466 1 454 . 1 1 70 70 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 3466 1 455 . 1 1 70 70 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 3466 1 456 . 1 1 71 71 THR H H 1 7.8 . . 1 . . . . . . . . 3466 1 457 . 1 1 71 71 THR HA H 1 5.3 . . 1 . . . . . . . . 3466 1 458 . 1 1 71 71 THR HB H 1 3.71 . . 1 . . . . . . . . 3466 1 459 . 1 1 71 71 THR HG21 H 1 1.04 . . 1 . . . . . . . . 3466 1 460 . 1 1 71 71 THR HG22 H 1 1.04 . . 1 . . . . . . . . 3466 1 461 . 1 1 71 71 THR HG23 H 1 1.04 . . 1 . . . . . . . . 3466 1 462 . 1 1 72 72 LEU H H 1 9.18 . . 1 . . . . . . . . 3466 1 463 . 1 1 72 72 LEU HA H 1 4.76 . . 1 . . . . . . . . 3466 1 464 . 1 1 72 72 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 3466 1 465 . 1 1 72 72 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 3466 1 466 . 1 1 72 72 LEU HG H 1 1.42 . . 1 . . . . . . . . 3466 1 467 . 1 1 72 72 LEU HD11 H 1 .81 . . 2 . . . . . . . . 3466 1 468 . 1 1 72 72 LEU HD12 H 1 .81 . . 2 . . . . . . . . 3466 1 469 . 1 1 72 72 LEU HD13 H 1 .81 . . 2 . . . . . . . . 3466 1 470 . 1 1 72 72 LEU HD21 H 1 .47 . . 2 . . . . . . . . 3466 1 471 . 1 1 72 72 LEU HD22 H 1 .47 . . 2 . . . . . . . . 3466 1 472 . 1 1 72 72 LEU HD23 H 1 .47 . . 2 . . . . . . . . 3466 1 473 . 1 1 73 73 ASN H H 1 8.77 . . 1 . . . . . . . . 3466 1 474 . 1 1 73 73 ASN HA H 1 5.44 . . 1 . . . . . . . . 3466 1 475 . 1 1 73 73 ASN HB2 H 1 3.13 . . 2 . . . . . . . . 3466 1 476 . 1 1 73 73 ASN HB3 H 1 2.45 . . 2 . . . . . . . . 3466 1 477 . 1 1 73 73 ASN HD21 H 1 7.31 . . 2 . . . . . . . . 3466 1 478 . 1 1 73 73 ASN HD22 H 1 6.98 . . 2 . . . . . . . . 3466 1 479 . 1 1 74 74 ILE H H 1 9.33 . . 1 . . . . . . . . 3466 1 480 . 1 1 74 74 ILE HA H 1 4.46 . . 1 . . . . . . . . 3466 1 481 . 1 1 74 74 ILE HB H 1 1.72 . . 1 . . . . . . . . 3466 1 482 . 1 1 74 74 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 3466 1 483 . 1 1 74 74 ILE HG13 H 1 .62 . . 2 . . . . . . . . 3466 1 484 . 1 1 74 74 ILE HG21 H 1 -.04 . . 1 . . . . . . . . 3466 1 485 . 1 1 74 74 ILE HG22 H 1 -.04 . . 1 . . . . . . . . 3466 1 486 . 1 1 74 74 ILE HG23 H 1 -.04 . . 1 . . . . . . . . 3466 1 487 . 1 1 74 74 ILE HD11 H 1 .37 . . 1 . . . . . . . . 3466 1 488 . 1 1 74 74 ILE HD12 H 1 .37 . . 1 . . . . . . . . 3466 1 489 . 1 1 74 74 ILE HD13 H 1 .37 . . 1 . . . . . . . . 3466 1 490 . 1 1 75 75 LYS H H 1 8.5 . . 1 . . . . . . . . 3466 1 491 . 1 1 75 75 LYS HA H 1 5.12 . . 1 . . . . . . . . 3466 1 492 . 1 1 75 75 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 3466 1 493 . 1 1 75 75 LYS HB3 H 1 1.57 . . 2 . . . . . . . . 3466 1 494 . 1 1 75 75 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 3466 1 495 . 1 1 75 75 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 3466 1 496 . 1 1 75 75 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 3466 1 497 . 1 1 75 75 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 3466 1 498 . 1 1 75 75 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 3466 1 499 . 1 1 75 75 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 3466 1 500 . 1 1 76 76 PHE H H 1 8.87 . . 1 . . . . . . . . 3466 1 501 . 1 1 76 76 PHE HA H 1 4.79 . . 1 . . . . . . . . 3466 1 502 . 1 1 76 76 PHE HB2 H 1 3.48 . . 2 . . . . . . . . 3466 1 503 . 1 1 76 76 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 3466 1 504 . 1 1 76 76 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 3466 1 505 . 1 1 76 76 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 3466 1 506 . 1 1 76 76 PHE HE1 H 1 6.98 . . 1 . . . . . . . . 3466 1 507 . 1 1 76 76 PHE HE2 H 1 6.98 . . 1 . . . . . . . . 3466 1 508 . 1 1 76 76 PHE HZ H 1 6.92 . . 1 . . . . . . . . 3466 1 509 . 1 1 77 77 ALA H H 1 9.02 . . 1 . . . . . . . . 3466 1 510 . 1 1 77 77 ALA HA H 1 4.39 . . 1 . . . . . . . . 3466 1 511 . 1 1 77 77 ALA HB1 H 1 1.6 . . 1 . . . . . . . . 3466 1 512 . 1 1 77 77 ALA HB2 H 1 1.6 . . 1 . . . . . . . . 3466 1 513 . 1 1 77 77 ALA HB3 H 1 1.6 . . 1 . . . . . . . . 3466 1 514 . 1 1 78 78 GLY H H 1 8.26 . . 1 . . . . . . . . 3466 1 515 . 1 1 78 78 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 3466 1 516 . 1 1 78 78 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 3466 1 stop_ save_