data_5257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5257 _Entry.Title ; Thymosin beta-9 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-01-11 _Entry.Accession_date 2002-01-14 _Entry.Last_release_date 2002-02-08 _Entry.Original_release_date 2002-02-08 _Entry.Origination author _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 R. Stoll . . . 5257 2 W. Voelter . . . 5257 3 T. Holak . A. . 5257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 289 5257 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 . . 2002-02-08 2002-01-11 original author . 5257 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9108730 _Citation.Full_citation . _Citation.Title ; Conformation of thymosin beta-9 in water/fluoroalcohol solution determined by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 6 _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 623 _Citation.Page_last 634 _Citation.Year 1997 _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 R. Stoll . . . 5257 1 2 W. Voelter . . . 5257 1 3 T. Holak . A. . 5257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_T_beta-9 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_T_beta-9 _Assembly.Entry_ID 5257 _Assembly.ID 1 _Assembly.Name 'Thymosin beta-9' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5257 1 stop_ 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 'Thymosin beta-9' 1 $T_beta-9 . . . native . . . . . 5257 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1HJ0 . . . . . . 5257 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Thymosin beta-9' system 5257 1 T_beta-9 abbreviation 5257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T_beta-9 _Entity.Sf_category entity _Entity.Sf_framecode T_beta-9 _Entity.Entry_ID 5257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thymosin beta-9' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADKPDLGEINSFDKAKLKKT ETQEKNTLPTKETIEQEKQA K ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 1HJ0 . "Thymosin Beta9" . . . . . 100.00 41 100.00 100.00 7.35e-18 . . . . 5257 1 2 no GB AAG03074 . "thymosin beta-10 [Bos taurus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 3 no GB ABK55658 . "TMSB10 [Sus scrofa]" . . . . . 100.00 42 97.56 100.00 9.78e-18 . . . . 5257 1 4 no GB ELR59301 . "Thymosin beta-10 [Bos mutus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 5 no REF NP_001090951 . "thymosin beta-10 [Sus scrofa]" . . . . . 100.00 42 97.56 100.00 9.78e-18 . . . . 5257 1 6 no REF NP_777048 . "thymosin beta-10 [Bos taurus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 7 no REF XP_004005914 . "PREDICTED: thymosin beta-10 [Ovis aries]" . . . . . 100.00 42 97.56 100.00 9.78e-18 . . . . 5257 1 8 no REF XP_005686787 . "PREDICTED: thymosin beta-10 [Capra hircus]" . . . . . 100.00 42 97.56 100.00 9.78e-18 . . . . 5257 1 9 no REF XP_005891744 . "PREDICTED: thymosin beta-10 [Bos mutus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 10 no SP P21752 . "RecName: Full=Thymosin beta-10; AltName: Full=Thymosin beta-9; Contains: RecName: Full=Thymosin beta-8 [Bos taurus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 11 no SP P21753 . "RecName: Full=Thymosin beta-10; AltName: Full=Thymosin beta-9 [Sus scrofa]" . . . . . 100.00 42 97.56 100.00 9.78e-18 . . . . 5257 1 12 no TPG DAA24569 . "TPA: thymosin beta-10 [Bos taurus]" . . . . . 100.00 42 100.00 100.00 5.96e-18 . . . . 5257 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thymosin beta-9' common 5257 1 T_beta-9 abbreviation 5257 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 . ALA . 5257 1 2 . ASP . 5257 1 3 . LYS . 5257 1 4 . PRO . 5257 1 5 . ASP . 5257 1 6 . LEU . 5257 1 7 . GLY . 5257 1 8 . GLU . 5257 1 9 . ILE . 5257 1 10 . ASN . 5257 1 11 . SER . 5257 1 12 . PHE . 5257 1 13 . ASP . 5257 1 14 . LYS . 5257 1 15 . ALA . 5257 1 16 . LYS . 5257 1 17 . LEU . 5257 1 18 . LYS . 5257 1 19 . LYS . 5257 1 20 . THR . 5257 1 21 . GLU . 5257 1 22 . THR . 5257 1 23 . GLN . 5257 1 24 . GLU . 5257 1 25 . LYS . 5257 1 26 . ASN . 5257 1 27 . THR . 5257 1 28 . LEU . 5257 1 29 . PRO . 5257 1 30 . THR . 5257 1 31 . LYS . 5257 1 32 . GLU . 5257 1 33 . THR . 5257 1 34 . ILE . 5257 1 35 . GLU . 5257 1 36 . GLN . 5257 1 37 . GLU . 5257 1 38 . LYS . 5257 1 39 . GLN . 5257 1 40 . ALA . 5257 1 41 . LYS . 5257 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 . ALA 1 1 5257 1 . ASP 2 2 5257 1 . LYS 3 3 5257 1 . PRO 4 4 5257 1 . ASP 5 5 5257 1 . LEU 6 6 5257 1 . GLY 7 7 5257 1 . GLU 8 8 5257 1 . ILE 9 9 5257 1 . ASN 10 10 5257 1 . SER 11 11 5257 1 . PHE 12 12 5257 1 . ASP 13 13 5257 1 . LYS 14 14 5257 1 . ALA 15 15 5257 1 . LYS 16 16 5257 1 . LEU 17 17 5257 1 . LYS 18 18 5257 1 . LYS 19 19 5257 1 . THR 20 20 5257 1 . GLU 21 21 5257 1 . THR 22 22 5257 1 . GLN 23 23 5257 1 . GLU 24 24 5257 1 . LYS 25 25 5257 1 . ASN 26 26 5257 1 . THR 27 27 5257 1 . LEU 28 28 5257 1 . PRO 29 29 5257 1 . THR 30 30 5257 1 . LYS 31 31 5257 1 . GLU 32 32 5257 1 . THR 33 33 5257 1 . ILE 34 34 5257 1 . GLU 35 35 5257 1 . GLN 36 36 5257 1 . GLU 37 37 5257 1 . LYS 38 38 5257 1 . GLN 39 39 5257 1 . ALA 40 40 5257 1 . LYS 41 41 5257 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 5257 _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 $T_beta-9 . 9913 . . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . thymus . . . . . . . . . . . . . . . . . 5257 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 5257 _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 $T_beta-9 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5257 _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 . 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 'Thymosin beta-9' . . . 1 $T_beta-9 . . . . 5 mM . . . . 5257 1 2 1,1,1,3,3,3-hexafluoro-2-propanol [U-2H] . . . . . . 40 . . % . . . . 5257 1 3 H2O . . . . . . . 60 . . % . . . . 5257 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5257 _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 5.1 0.2 n/a 5257 1 temperature 298 1 K 5257 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5257 _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 NMR_spectrometer Bruker AMX . 600 . . . 5257 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 5257 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5257 _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 0.0 internal direct 1.0 . . . . . . . . . 5257 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5257 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 5257 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 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 5257 1 2 . 1 1 1 1 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5257 1 3 . 1 1 1 1 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5257 1 4 . 1 1 1 1 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5257 1 5 . 1 1 1 1 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5257 1 6 . 1 1 2 2 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 5257 1 7 . 1 1 2 2 ASP HA H 1 4.75 0.02 . 1 . . . . . . . . 5257 1 8 . 1 1 2 2 ASP HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5257 1 9 . 1 1 2 2 ASP HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5257 1 10 . 1 1 3 3 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5257 1 11 . 1 1 3 3 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . 5257 1 12 . 1 1 3 3 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5257 1 13 . 1 1 3 3 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5257 1 14 . 1 1 3 3 LYS HG2 H 1 1.48 0.02 . 1 . . . . . . . . 5257 1 15 . 1 1 3 3 LYS HG3 H 1 1.48 0.02 . 1 . . . . . . . . 5257 1 16 . 1 1 3 3 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 5257 1 17 . 1 1 3 3 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 5257 1 18 . 1 1 4 4 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 5257 1 19 . 1 1 4 4 PRO HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5257 1 20 . 1 1 4 4 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5257 1 21 . 1 1 4 4 PRO HG2 H 1 1.96 0.02 . 2 . . . . . . . . 5257 1 22 . 1 1 4 4 PRO HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5257 1 23 . 1 1 4 4 PRO HD2 H 1 3.65 0.02 . 2 . . . . . . . . 5257 1 24 . 1 1 4 4 PRO HD3 H 1 3.78 0.02 . 2 . . . . . . . . 5257 1 25 . 1 1 5 5 ASP H H 1 7.95 0.02 . 1 . . . . . . . . 5257 1 26 . 1 1 5 5 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 5257 1 27 . 1 1 5 5 ASP HB2 H 1 3.02 0.02 . 2 . . . . . . . . 5257 1 28 . 1 1 5 5 ASP HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5257 1 29 . 1 1 6 6 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5257 1 30 . 1 1 6 6 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 5257 1 31 . 1 1 6 6 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5257 1 32 . 1 1 6 6 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5257 1 33 . 1 1 6 6 LEU HG H 1 1.22 0.02 . 1 . . . . . . . . 5257 1 34 . 1 1 6 6 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 35 . 1 1 6 6 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 36 . 1 1 6 6 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 37 . 1 1 6 6 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 38 . 1 1 6 6 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 39 . 1 1 6 6 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 40 . 1 1 7 7 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5257 1 41 . 1 1 7 7 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5257 1 42 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5257 1 43 . 1 1 8 8 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 5257 1 44 . 1 1 8 8 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 5257 1 45 . 1 1 8 8 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5257 1 46 . 1 1 8 8 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5257 1 47 . 1 1 8 8 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5257 1 48 . 1 1 8 8 GLU HG3 H 1 2.53 0.02 . 2 . . . . . . . . 5257 1 49 . 1 1 9 9 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5257 1 50 . 1 1 9 9 ILE HA H 1 3.90 0.02 . 1 . . . . . . . . 5257 1 51 . 1 1 9 9 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . 5257 1 52 . 1 1 9 9 ILE HG12 H 1 1.23 0.02 . 2 . . . . . . . . 5257 1 53 . 1 1 9 9 ILE HG13 H 1 1.66 0.02 . 2 . . . . . . . . 5257 1 54 . 1 1 9 9 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5257 1 55 . 1 1 9 9 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5257 1 56 . 1 1 9 9 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5257 1 57 . 1 1 9 9 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5257 1 58 . 1 1 9 9 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5257 1 59 . 1 1 9 9 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5257 1 60 . 1 1 10 10 ASN H H 1 8.37 0.02 . 1 . . . . . . . . 5257 1 61 . 1 1 10 10 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 5257 1 62 . 1 1 10 10 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5257 1 63 . 1 1 10 10 ASN HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5257 1 64 . 1 1 10 10 ASN HD21 H 1 6.53 0.02 . 2 . . . . . . . . 5257 1 65 . 1 1 10 10 ASN HD22 H 1 7.40 0.02 . 2 . . . . . . . . 5257 1 66 . 1 1 11 11 SER H H 1 8.02 0.02 . 1 . . . . . . . . 5257 1 67 . 1 1 11 11 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 5257 1 68 . 1 1 11 11 SER HB2 H 1 3.99 0.02 . 2 . . . . . . . . 5257 1 69 . 1 1 11 11 SER HB3 H 1 4.09 0.02 . 2 . . . . . . . . 5257 1 70 . 1 1 12 12 PHE H H 1 8.29 0.02 . 1 . . . . . . . . 5257 1 71 . 1 1 12 12 PHE HA H 1 4.47 0.02 . 1 . . . . . . . . 5257 1 72 . 1 1 12 12 PHE HB2 H 1 3.25 0.02 . 1 . . . . . . . . 5257 1 73 . 1 1 12 12 PHE HB3 H 1 3.25 0.02 . 1 . . . . . . . . 5257 1 74 . 1 1 12 12 PHE HD1 H 1 7.25 0.02 . 1 . . . . . . . . 5257 1 75 . 1 1 12 12 PHE HD2 H 1 7.25 0.02 . 1 . . . . . . . . 5257 1 76 . 1 1 13 13 ASP H H 1 8.57 0.02 . 1 . . . . . . . . 5257 1 77 . 1 1 13 13 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 5257 1 78 . 1 1 13 13 ASP HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5257 1 79 . 1 1 13 13 ASP HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5257 1 80 . 1 1 14 14 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5257 1 81 . 1 1 14 14 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 5257 1 82 . 1 1 14 14 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5257 1 83 . 1 1 14 14 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5257 1 84 . 1 1 14 14 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5257 1 85 . 1 1 14 14 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5257 1 86 . 1 1 14 14 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 87 . 1 1 14 14 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 88 . 1 1 14 14 LYS HE2 H 1 3.19 0.02 . 1 . . . . . . . . 5257 1 89 . 1 1 14 14 LYS HE3 H 1 3.19 0.02 . 1 . . . . . . . . 5257 1 90 . 1 1 15 15 ALA H H 1 7.98 0.02 . 1 . . . . . . . . 5257 1 91 . 1 1 15 15 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5257 1 92 . 1 1 15 15 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 5257 1 93 . 1 1 15 15 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5257 1 94 . 1 1 15 15 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5257 1 95 . 1 1 16 16 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5257 1 96 . 1 1 16 16 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 5257 1 97 . 1 1 16 16 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5257 1 98 . 1 1 16 16 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5257 1 99 . 1 1 16 16 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5257 1 100 . 1 1 16 16 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 5257 1 101 . 1 1 16 16 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5257 1 102 . 1 1 16 16 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5257 1 103 . 1 1 16 16 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 5257 1 104 . 1 1 16 16 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 5257 1 105 . 1 1 17 17 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5257 1 106 . 1 1 17 17 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 5257 1 107 . 1 1 17 17 LEU HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5257 1 108 . 1 1 17 17 LEU HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5257 1 109 . 1 1 17 17 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 5257 1 110 . 1 1 17 17 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 5257 1 111 . 1 1 17 17 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 5257 1 112 . 1 1 17 17 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 5257 1 113 . 1 1 17 17 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5257 1 114 . 1 1 17 17 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5257 1 115 . 1 1 17 17 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5257 1 116 . 1 1 18 18 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 5257 1 117 . 1 1 18 18 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5257 1 118 . 1 1 18 18 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5257 1 119 . 1 1 18 18 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5257 1 120 . 1 1 18 18 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5257 1 121 . 1 1 18 18 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . 5257 1 122 . 1 1 18 18 LYS HD2 H 1 1.85 0.02 . 2 . . . . . . . . 5257 1 123 . 1 1 18 18 LYS HD3 H 1 2.04 0.02 . 2 . . . . . . . . 5257 1 124 . 1 1 18 18 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5257 1 125 . 1 1 18 18 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5257 1 126 . 1 1 19 19 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 5257 1 127 . 1 1 19 19 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5257 1 128 . 1 1 19 19 LYS HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5257 1 129 . 1 1 19 19 LYS HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5257 1 130 . 1 1 19 19 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5257 1 131 . 1 1 19 19 LYS HG3 H 1 1.55 0.02 . 2 . . . . . . . . 5257 1 132 . 1 1 19 19 LYS HD2 H 1 1.73 0.02 . 2 . . . . . . . . 5257 1 133 . 1 1 19 19 LYS HD3 H 1 1.86 0.02 . 2 . . . . . . . . 5257 1 134 . 1 1 19 19 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5257 1 135 . 1 1 19 19 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5257 1 136 . 1 1 20 20 THR H H 1 8.22 0.02 . 1 . . . . . . . . 5257 1 137 . 1 1 20 20 THR HA H 1 4.01 0.02 . 1 . . . . . . . . 5257 1 138 . 1 1 20 20 THR HB H 1 4.47 0.02 . 1 . . . . . . . . 5257 1 139 . 1 1 20 20 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 140 . 1 1 20 20 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 141 . 1 1 20 20 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 142 . 1 1 21 21 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 5257 1 143 . 1 1 21 21 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5257 1 144 . 1 1 21 21 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5257 1 145 . 1 1 21 21 GLU HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5257 1 146 . 1 1 21 21 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 5257 1 147 . 1 1 21 21 GLU HG3 H 1 2.68 0.02 . 2 . . . . . . . . 5257 1 148 . 1 1 22 22 THR H H 1 8.13 0.02 . 1 . . . . . . . . 5257 1 149 . 1 1 22 22 THR HA H 1 3.96 0.02 . 1 . . . . . . . . 5257 1 150 . 1 1 22 22 THR HB H 1 4.43 0.02 . 1 . . . . . . . . 5257 1 151 . 1 1 22 22 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5257 1 152 . 1 1 22 22 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5257 1 153 . 1 1 22 22 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5257 1 154 . 1 1 23 23 GLN H H 1 8.21 0.02 . 1 . . . . . . . . 5257 1 155 . 1 1 23 23 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 5257 1 156 . 1 1 23 23 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5257 1 157 . 1 1 23 23 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5257 1 158 . 1 1 23 23 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 5257 1 159 . 1 1 23 23 GLN HG3 H 1 2.58 0.02 . 2 . . . . . . . . 5257 1 160 . 1 1 23 23 GLN HE21 H 1 6.55 0.02 . 2 . . . . . . . . 5257 1 161 . 1 1 23 23 GLN HE22 H 1 6.98 0.02 . 2 . . . . . . . . 5257 1 162 . 1 1 24 24 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 5257 1 163 . 1 1 24 24 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 5257 1 164 . 1 1 24 24 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5257 1 165 . 1 1 24 24 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5257 1 166 . 1 1 24 24 GLU HG2 H 1 2.65 0.02 . 1 . . . . . . . . 5257 1 167 . 1 1 24 24 GLU HG3 H 1 2.65 0.02 . 1 . . . . . . . . 5257 1 168 . 1 1 25 25 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5257 1 169 . 1 1 25 25 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5257 1 170 . 1 1 25 25 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5257 1 171 . 1 1 25 25 LYS HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5257 1 172 . 1 1 25 25 LYS HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5257 1 173 . 1 1 25 25 LYS HG3 H 1 1.68 0.02 . 2 . . . . . . . . 5257 1 174 . 1 1 25 25 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 175 . 1 1 25 25 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 176 . 1 1 26 26 ASN H H 1 7.95 0.02 . 1 . . . . . . . . 5257 1 177 . 1 1 26 26 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 5257 1 178 . 1 1 26 26 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5257 1 179 . 1 1 26 26 ASN HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5257 1 180 . 1 1 26 26 ASN HD21 H 1 6.62 0.02 . 2 . . . . . . . . 5257 1 181 . 1 1 26 26 ASN HD22 H 1 7.35 0.02 . 2 . . . . . . . . 5257 1 182 . 1 1 27 27 THR H H 1 7.90 0.02 . 1 . . . . . . . . 5257 1 183 . 1 1 27 27 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5257 1 184 . 1 1 27 27 THR HB H 1 4.39 0.02 . 1 . . . . . . . . 5257 1 185 . 1 1 27 27 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . 5257 1 186 . 1 1 27 27 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . 5257 1 187 . 1 1 27 27 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . 5257 1 188 . 1 1 28 28 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 5257 1 189 . 1 1 28 28 LEU HA H 1 4.43 0.02 . 1 . . . . . . . . 5257 1 190 . 1 1 28 28 LEU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5257 1 191 . 1 1 28 28 LEU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5257 1 192 . 1 1 28 28 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 5257 1 193 . 1 1 28 28 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 194 . 1 1 28 28 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 195 . 1 1 28 28 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 5257 1 196 . 1 1 28 28 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 197 . 1 1 28 28 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 198 . 1 1 28 28 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5257 1 199 . 1 1 29 29 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 5257 1 200 . 1 1 29 29 PRO HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5257 1 201 . 1 1 29 29 PRO HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5257 1 202 . 1 1 29 29 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 5257 1 203 . 1 1 29 29 PRO HG3 H 1 2.16 0.02 . 2 . . . . . . . . 5257 1 204 . 1 1 29 29 PRO HD2 H 1 3.82 0.02 . 2 . . . . . . . . 5257 1 205 . 1 1 29 29 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 5257 1 206 . 1 1 30 30 THR H H 1 7.63 0.02 . 1 . . . . . . . . 5257 1 207 . 1 1 30 30 THR HA H 1 4.11 0.02 . 1 . . . . . . . . 5257 1 208 . 1 1 30 30 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 5257 1 209 . 1 1 30 30 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 210 . 1 1 30 30 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 211 . 1 1 30 30 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 5257 1 212 . 1 1 31 31 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 5257 1 213 . 1 1 31 31 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5257 1 214 . 1 1 31 31 LYS HB2 H 1 1.97 0.02 . 1 . . . . . . . . 5257 1 215 . 1 1 31 31 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 5257 1 216 . 1 1 31 31 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5257 1 217 . 1 1 31 31 LYS HG3 H 1 1.61 0.02 . 2 . . . . . . . . 5257 1 218 . 1 1 32 32 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5257 1 219 . 1 1 32 32 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5257 1 220 . 1 1 32 32 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 5257 1 221 . 1 1 32 32 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 5257 1 222 . 1 1 32 32 GLU HG2 H 1 2.57 0.02 . 1 . . . . . . . . 5257 1 223 . 1 1 32 32 GLU HG3 H 1 2.57 0.02 . 1 . . . . . . . . 5257 1 224 . 1 1 33 33 THR H H 1 7.92 0.02 . 1 . . . . . . . . 5257 1 225 . 1 1 33 33 THR HA H 1 4.03 0.02 . 1 . . . . . . . . 5257 1 226 . 1 1 33 33 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 5257 1 227 . 1 1 33 33 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 5257 1 228 . 1 1 33 33 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 5257 1 229 . 1 1 33 33 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 5257 1 230 . 1 1 34 34 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 5257 1 231 . 1 1 34 34 ILE HA H 1 3.76 0.02 . 1 . . . . . . . . 5257 1 232 . 1 1 34 34 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 5257 1 233 . 1 1 34 34 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 5257 1 234 . 1 1 34 34 ILE HG13 H 1 1.78 0.02 . 2 . . . . . . . . 5257 1 235 . 1 1 34 34 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5257 1 236 . 1 1 34 34 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5257 1 237 . 1 1 34 34 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5257 1 238 . 1 1 34 34 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5257 1 239 . 1 1 34 34 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5257 1 240 . 1 1 34 34 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5257 1 241 . 1 1 35 35 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 5257 1 242 . 1 1 35 35 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5257 1 243 . 1 1 35 35 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5257 1 244 . 1 1 35 35 GLU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 5257 1 245 . 1 1 35 35 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 5257 1 246 . 1 1 35 35 GLU HG3 H 1 2.67 0.02 . 2 . . . . . . . . 5257 1 247 . 1 1 36 36 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 5257 1 248 . 1 1 36 36 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 5257 1 249 . 1 1 36 36 GLN HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5257 1 250 . 1 1 36 36 GLN HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5257 1 251 . 1 1 36 36 GLN HG2 H 1 2.51 0.02 . 2 . . . . . . . . 5257 1 252 . 1 1 36 36 GLN HG3 H 1 2.61 0.02 . 2 . . . . . . . . 5257 1 253 . 1 1 36 36 GLN HE21 H 1 6.49 0.02 . 2 . . . . . . . . 5257 1 254 . 1 1 36 36 GLN HE22 H 1 7.04 0.02 . 2 . . . . . . . . 5257 1 255 . 1 1 37 37 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 5257 1 256 . 1 1 37 37 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5257 1 257 . 1 1 37 37 GLU HB2 H 1 2.36 0.02 . 1 . . . . . . . . 5257 1 258 . 1 1 37 37 GLU HB3 H 1 2.36 0.02 . 1 . . . . . . . . 5257 1 259 . 1 1 37 37 GLU HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5257 1 260 . 1 1 37 37 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 5257 1 261 . 1 1 38 38 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5257 1 262 . 1 1 38 38 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 5257 1 263 . 1 1 38 38 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5257 1 264 . 1 1 38 38 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5257 1 265 . 1 1 38 38 LYS HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5257 1 266 . 1 1 38 38 LYS HG3 H 1 1.67 0.02 . 2 . . . . . . . . 5257 1 267 . 1 1 38 38 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 5257 1 268 . 1 1 38 38 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 5257 1 269 . 1 1 39 39 GLN H H 1 7.82 0.02 . 1 . . . . . . . . 5257 1 270 . 1 1 39 39 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5257 1 271 . 1 1 39 39 GLN HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5257 1 272 . 1 1 39 39 GLN HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5257 1 273 . 1 1 39 39 GLN HG2 H 1 2.53 0.02 . 1 . . . . . . . . 5257 1 274 . 1 1 39 39 GLN HG3 H 1 2.53 0.02 . 1 . . . . . . . . 5257 1 275 . 1 1 39 39 GLN HE21 H 1 6.57 0.02 . 2 . . . . . . . . 5257 1 276 . 1 1 39 39 GLN HE22 H 1 7.27 0.02 . 2 . . . . . . . . 5257 1 277 . 1 1 40 40 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 5257 1 278 . 1 1 40 40 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5257 1 279 . 1 1 40 40 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 5257 1 280 . 1 1 40 40 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 5257 1 281 . 1 1 40 40 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 5257 1 282 . 1 1 41 41 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 5257 1 283 . 1 1 41 41 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 5257 1 284 . 1 1 41 41 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5257 1 285 . 1 1 41 41 LYS HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5257 1 286 . 1 1 41 41 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5257 1 287 . 1 1 41 41 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5257 1 288 . 1 1 41 41 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 289 . 1 1 41 41 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 5257 1 stop_ save_