data_25771 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25771 _Entry.Title ; 1H assignment at 288K of Cementoin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-26 _Entry.Accession_date 2015-08-26 _Entry.Last_release_date 2016-03-03 _Entry.Original_release_date 2016-03-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Karine Loth . . . . 25771 2 Soha 'Abou Ibrahim Alami' . . . . 25771 3 Chahrazed Habes . . . . 25771 4 Marie-Louise Zani . . . . 25771 5 Agnes Delmas . . . . 25771 6 Thierry Moreau . . . . 25771 7 Celine Landon . . . . 25771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 266 25771 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-04 2015-08-26 update BMRB 'update entry citation' 25771 1 . . 2016-03-03 2015-08-26 original author 'original release' 25771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25772 Elafin 25771 BMRB 25773 Trappin-2 25771 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25771 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26878852 _Citation.Full_citation . _Citation.Title ; Complete assignment of 15N, 13C Trappin-2 and 1H assignment of its two domains, Elafin and Cementoin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 223 _Citation.Page_last 226 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Karine Loth . . . . 25771 1 2 Soha 'Abou Ibrahim Alami' . . . . 25771 1 3 Chahrazed Habes . . . . 25771 1 4 Marie-Louise Zani . . . . 25771 1 5 Agnes Delmas . . . . 25771 1 6 Thierry Moreau . . . . 25771 1 7 Celine Landon . . . . 25771 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cementoin 25771 1 Elafin 25771 1 'Inflammatory lung diseases' 25771 1 'Protease inhibitor' 25771 1 'Serine proteases' 25771 1 Trappin-2 25771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25771 _Assembly.ID 1 _Assembly.Name Cementoin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Cementoin 1 $Cementoin A . yes native no no . . . 25771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cementoin _Entity.Sf_category entity _Entity.Sf_framecode Cementoin _Entity.Entry_ID 25771 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cementoin _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 ; AVTGVPVKGQDTVKGRVPFN GQDPVKGQVSVKGQDKVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25771 1 2 2 VAL . 25771 1 3 3 THR . 25771 1 4 4 GLY . 25771 1 5 5 VAL . 25771 1 6 6 PRO . 25771 1 7 7 VAL . 25771 1 8 8 LYS . 25771 1 9 9 GLY . 25771 1 10 10 GLN . 25771 1 11 11 ASP . 25771 1 12 12 THR . 25771 1 13 13 VAL . 25771 1 14 14 LYS . 25771 1 15 15 GLY . 25771 1 16 16 ARG . 25771 1 17 17 VAL . 25771 1 18 18 PRO . 25771 1 19 19 PHE . 25771 1 20 20 ASN . 25771 1 21 21 GLY . 25771 1 22 22 GLN . 25771 1 23 23 ASP . 25771 1 24 24 PRO . 25771 1 25 25 VAL . 25771 1 26 26 LYS . 25771 1 27 27 GLY . 25771 1 28 28 GLN . 25771 1 29 29 VAL . 25771 1 30 30 SER . 25771 1 31 31 VAL . 25771 1 32 32 LYS . 25771 1 33 33 GLY . 25771 1 34 34 GLN . 25771 1 35 35 ASP . 25771 1 36 36 LYS . 25771 1 37 37 VAL . 25771 1 38 38 LYS . 25771 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 25771 1 . VAL 2 2 25771 1 . THR 3 3 25771 1 . GLY 4 4 25771 1 . VAL 5 5 25771 1 . PRO 6 6 25771 1 . VAL 7 7 25771 1 . LYS 8 8 25771 1 . GLY 9 9 25771 1 . GLN 10 10 25771 1 . ASP 11 11 25771 1 . THR 12 12 25771 1 . VAL 13 13 25771 1 . LYS 14 14 25771 1 . GLY 15 15 25771 1 . ARG 16 16 25771 1 . VAL 17 17 25771 1 . PRO 18 18 25771 1 . PHE 19 19 25771 1 . ASN 20 20 25771 1 . GLY 21 21 25771 1 . GLN 22 22 25771 1 . ASP 23 23 25771 1 . PRO 24 24 25771 1 . VAL 25 25 25771 1 . LYS 26 26 25771 1 . GLY 27 27 25771 1 . GLN 28 28 25771 1 . VAL 29 29 25771 1 . SER 30 30 25771 1 . VAL 31 31 25771 1 . LYS 32 32 25771 1 . GLY 33 33 25771 1 . GLN 34 34 25771 1 . ASP 35 35 25771 1 . LYS 36 36 25771 1 . VAL 37 37 25771 1 . LYS 38 38 25771 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 25771 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Cementoin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25771 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 25771 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Cementoin . 'chemical synthesis' . . . . . . . . . . . . . . . . 25771 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25771 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Cementoin 'natural abundance' . . 1 $Cementoin . . 1.2 . . mM . . . . 25771 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25771 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25771 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25771 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25771 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25771 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 25771 1 pH 6.1 . pH 25771 1 pressure 1 . atm 25771 1 temperature 288 . K 25771 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25771 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25771 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25771 1 processing 25771 1 stop_ save_ save_Ccpnmr _Software.Sf_category software _Software.Sf_framecode Ccpnmr _Software.Entry_ID 25771 _Software.ID 2 _Software.Name Ccpnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25771 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25771 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25771 _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 Bruker Avance . 700 . . . 25771 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 25771 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25771 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25771 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25771 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.868 internal direct 1.000000000 . . . . . 25771 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 25771 1 2 '2D 1H-1H NOESY' . . . 25771 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 HA H 1 4.060 0.01 . 1 . . . . 1 Ala HA . 25771 1 2 . 1 1 1 1 ALA HB1 H 1 1.435 0.01 . 1 . . . . 1 Ala HB1 . 25771 1 3 . 1 1 1 1 ALA HB2 H 1 1.435 0.01 . 1 . . . . 1 Ala HB2 . 25771 1 4 . 1 1 1 1 ALA HB3 H 1 1.435 0.01 . 1 . . . . 1 Ala HB3 . 25771 1 5 . 1 1 2 2 VAL H H 1 8.565 0.01 . 1 . . . . 2 Val HN . 25771 1 6 . 1 1 2 2 VAL HA H 1 4.164 0.01 . 1 . . . . 2 Val HA . 25771 1 7 . 1 1 2 2 VAL HB H 1 2.014 0.01 . 1 . . . . 2 Val HB . 25771 1 8 . 1 1 2 2 VAL HG11 H 1 0.870 0.01 . 1 . . . . 2 Val HG11 . 25771 1 9 . 1 1 2 2 VAL HG12 H 1 0.870 0.01 . 1 . . . . 2 Val HG12 . 25771 1 10 . 1 1 2 2 VAL HG13 H 1 0.870 0.01 . 1 . . . . 2 Val HG13 . 25771 1 11 . 1 1 2 2 VAL HG21 H 1 0.870 0.01 . 1 . . . . 2 Val HG21 . 25771 1 12 . 1 1 2 2 VAL HG22 H 1 0.870 0.01 . 1 . . . . 2 Val HG22 . 25771 1 13 . 1 1 2 2 VAL HG23 H 1 0.870 0.01 . 1 . . . . 2 Val HG23 . 25771 1 14 . 1 1 3 3 THR H H 1 8.338 0.01 . 1 . . . . 3 Thr HN . 25771 1 15 . 1 1 3 3 THR HA H 1 4.290 0.01 . 1 . . . . 3 Thr HA . 25771 1 16 . 1 1 3 3 THR HB H 1 4.120 0.01 . 1 . . . . 3 Thr HB . 25771 1 17 . 1 1 3 3 THR HG21 H 1 1.139 0.01 . 1 . . . . 3 Thr HG21 . 25771 1 18 . 1 1 3 3 THR HG22 H 1 1.139 0.01 . 1 . . . . 3 Thr HG22 . 25771 1 19 . 1 1 3 3 THR HG23 H 1 1.139 0.01 . 1 . . . . 3 Thr HG23 . 25771 1 20 . 1 1 4 4 GLY H H 1 8.434 0.01 . 1 . . . . 4 Gly HN . 25771 1 21 . 1 1 4 4 GLY HA2 H 1 3.886 0.01 . 1 . . . . 4 Gly HA1 . 25771 1 22 . 1 1 4 4 GLY HA3 H 1 3.886 0.01 . 1 . . . . 4 Gly HA2 . 25771 1 23 . 1 1 5 5 VAL H H 1 7.996 0.01 . 1 . . . . 5 Val HN . 25771 1 24 . 1 1 5 5 VAL HA H 1 4.348 0.01 . 1 . . . . 5 Val HA . 25771 1 25 . 1 1 5 5 VAL HB H 1 1.986 0.01 . 1 . . . . 5 Val HB . 25771 1 26 . 1 1 5 5 VAL HG11 H 1 0.858 0.01 . 1 . . . . 5 Val HG11 . 25771 1 27 . 1 1 5 5 VAL HG12 H 1 0.858 0.01 . 1 . . . . 5 Val HG12 . 25771 1 28 . 1 1 5 5 VAL HG13 H 1 0.858 0.01 . 1 . . . . 5 Val HG13 . 25771 1 29 . 1 1 5 5 VAL HG21 H 1 0.897 0.01 . 1 . . . . 5 Val HG21 . 25771 1 30 . 1 1 5 5 VAL HG22 H 1 0.897 0.01 . 1 . . . . 5 Val HG22 . 25771 1 31 . 1 1 5 5 VAL HG23 H 1 0.897 0.01 . 1 . . . . 5 Val HG23 . 25771 1 32 . 1 1 6 6 PRO HA H 1 4.349 0.01 . 1 . . . . 6 Pro HA . 25771 1 33 . 1 1 6 6 PRO HB2 H 1 1.758 0.01 . 1 . . . . 6 Pro HB1 . 25771 1 34 . 1 1 6 6 PRO HB3 H 1 2.183 0.01 . 1 . . . . 6 Pro HB2 . 25771 1 35 . 1 1 6 6 PRO HG2 H 1 1.904 0.01 . 1 . . . . 6 Pro HG1 . 25771 1 36 . 1 1 6 6 PRO HG3 H 1 1.904 0.01 . 1 . . . . 6 Pro HG2 . 25771 1 37 . 1 1 6 6 PRO HD2 H 1 3.805 0.01 . 1 . . . . 6 Pro HD1 . 25771 1 38 . 1 1 6 6 PRO HD3 H 1 3.599 0.01 . 1 . . . . 6 Pro HD2 . 25771 1 39 . 1 1 7 7 VAL H H 1 8.270 0.01 . 1 . . . . 7 Val HN . 25771 1 40 . 1 1 7 7 VAL HA H 1 3.971 0.01 . 1 . . . . 7 Val HA . 25771 1 41 . 1 1 7 7 VAL HB H 1 1.948 0.01 . 1 . . . . 7 Val HB . 25771 1 42 . 1 1 7 7 VAL HG11 H 1 0.862 0.01 . 1 . . . . 7 Val HG11 . 25771 1 43 . 1 1 7 7 VAL HG12 H 1 0.862 0.01 . 1 . . . . 7 Val HG12 . 25771 1 44 . 1 1 7 7 VAL HG13 H 1 0.862 0.01 . 1 . . . . 7 Val HG13 . 25771 1 45 . 1 1 7 7 VAL HG21 H 1 0.877 0.01 . 1 . . . . 7 Val HG21 . 25771 1 46 . 1 1 7 7 VAL HG22 H 1 0.877 0.01 . 1 . . . . 7 Val HG22 . 25771 1 47 . 1 1 7 7 VAL HG23 H 1 0.877 0.01 . 1 . . . . 7 Val HG23 . 25771 1 48 . 1 1 8 8 LYS H H 1 8.449 0.01 . 1 . . . . 8 Lys HN . 25771 1 49 . 1 1 8 8 LYS HA H 1 4.217 0.01 . 1 . . . . 8 Lys HA . 25771 1 50 . 1 1 8 8 LYS HB2 H 1 1.690 0.01 . 1 . . . . 8 Lys HB1 . 25771 1 51 . 1 1 8 8 LYS HB3 H 1 1.755 0.01 . 1 . . . . 8 Lys HB2 . 25771 1 52 . 1 1 8 8 LYS HG2 H 1 1.383 0.01 . 1 . . . . 8 Lys HG1 . 25771 1 53 . 1 1 8 8 LYS HG3 H 1 1.348 0.01 . 1 . . . . 8 Lys HG2 . 25771 1 54 . 1 1 8 8 LYS HD2 H 1 1.600 0.01 . 1 . . . . 8 Lys HD1 . 25771 1 55 . 1 1 8 8 LYS HD3 H 1 1.600 0.01 . 1 . . . . 8 Lys HD2 . 25771 1 56 . 1 1 8 8 LYS HE2 H 1 2.915 0.01 . 1 . . . . 8 Lys HE1 . 25771 1 57 . 1 1 8 8 LYS HE3 H 1 2.915 0.01 . 1 . . . . 8 Lys HE2 . 25771 1 58 . 1 1 9 9 GLY H H 1 8.539 0.01 . 1 . . . . 9 Gly HN . 25771 1 59 . 1 1 9 9 GLY HA2 H 1 3.885 0.01 . 1 . . . . 9 Gly HA1 . 25771 1 60 . 1 1 9 9 GLY HA3 H 1 3.885 0.01 . 1 . . . . 9 Gly HA2 . 25771 1 61 . 1 1 10 10 GLN H H 1 8.293 0.01 . 1 . . . . 10 Gln HN . 25771 1 62 . 1 1 10 10 GLN HA H 1 4.276 0.01 . 1 . . . . 10 Gln HA . 25771 1 63 . 1 1 10 10 GLN HB2 H 1 1.898 0.01 . 1 . . . . 10 Gln HB1 . 25771 1 64 . 1 1 10 10 GLN HB3 H 1 2.041 0.01 . 1 . . . . 10 Gln HB2 . 25771 1 65 . 1 1 10 10 GLN HG2 H 1 2.264 0.01 . 1 . . . . 10 Gln HG1 . 25771 1 66 . 1 1 10 10 GLN HG3 H 1 2.265 0.01 . 1 . . . . 10 Gln HG2 . 25771 1 67 . 1 1 10 10 GLN HE21 H 1 6.846 0.01 . 1 . . . . 10 Gln HE21 . 25771 1 68 . 1 1 10 10 GLN HE22 H 1 7.536 0.01 . 1 . . . . 10 Gln HE22 . 25771 1 69 . 1 1 11 11 ASP H H 1 8.513 0.01 . 1 . . . . 11 Asp HN . 25771 1 70 . 1 1 11 11 ASP HA H 1 4.580 0.01 . 1 . . . . 11 Asp HA . 25771 1 71 . 1 1 11 11 ASP HB2 H 1 2.551 0.01 . 1 . . . . 11 Asp HB1 . 25771 1 72 . 1 1 11 11 ASP HB3 H 1 2.631 0.01 . 1 . . . . 11 Asp HB2 . 25771 1 73 . 1 1 12 12 THR H H 1 8.112 0.01 . 1 . . . . 12 Thr HN . 25771 1 74 . 1 1 12 12 THR HA H 1 4.235 0.01 . 1 . . . . 12 Thr HA . 25771 1 75 . 1 1 12 12 THR HB H 1 4.149 0.01 . 1 . . . . 12 Thr HB . 25771 1 76 . 1 1 12 12 THR HG21 H 1 1.117 0.01 . 1 . . . . 12 Thr HG21 . 25771 1 77 . 1 1 12 12 THR HG22 H 1 1.117 0.01 . 1 . . . . 12 Thr HG22 . 25771 1 78 . 1 1 12 12 THR HG23 H 1 1.117 0.01 . 1 . . . . 12 Thr HG23 . 25771 1 79 . 1 1 13 13 VAL H H 1 8.139 0.01 . 1 . . . . 13 Val HN . 25771 1 80 . 1 1 13 13 VAL HA H 1 3.973 0.01 . 1 . . . . 13 Val HA . 25771 1 81 . 1 1 13 13 VAL HB H 1 1.997 0.01 . 1 . . . . 13 Val HB . 25771 1 82 . 1 1 13 13 VAL HG11 H 1 0.861 0.01 . 1 . . . . 13 Val HG11 . 25771 1 83 . 1 1 13 13 VAL HG12 H 1 0.861 0.01 . 1 . . . . 13 Val HG12 . 25771 1 84 . 1 1 13 13 VAL HG13 H 1 0.861 0.01 . 1 . . . . 13 Val HG13 . 25771 1 85 . 1 1 13 13 VAL HG21 H 1 0.861 0.01 . 1 . . . . 13 Val HG21 . 25771 1 86 . 1 1 13 13 VAL HG22 H 1 0.861 0.01 . 1 . . . . 13 Val HG22 . 25771 1 87 . 1 1 13 13 VAL HG23 H 1 0.861 0.01 . 1 . . . . 13 Val HG23 . 25771 1 88 . 1 1 14 14 LYS H H 1 8.422 0.01 . 1 . . . . 14 Lys HN . 25771 1 89 . 1 1 14 14 LYS HA H 1 4.213 0.01 . 1 . . . . 14 Lys HA . 25771 1 90 . 1 1 14 14 LYS HB2 H 1 1.691 0.01 . 1 . . . . 14 Lys HB1 . 25771 1 91 . 1 1 14 14 LYS HB3 H 1 1.755 0.01 . 1 . . . . 14 Lys HB2 . 25771 1 92 . 1 1 14 14 LYS HG2 H 1 1.345 0.01 . 1 . . . . 14 Lys HG1 . 25771 1 93 . 1 1 14 14 LYS HG3 H 1 1.388 0.01 . 1 . . . . 14 Lys HG2 . 25771 1 94 . 1 1 14 14 LYS HD2 H 1 1.598 0.01 . 1 . . . . 14 Lys HD1 . 25771 1 95 . 1 1 14 14 LYS HD3 H 1 1.598 0.01 . 1 . . . . 14 Lys HD2 . 25771 1 96 . 1 1 14 14 LYS HE2 H 1 2.913 0.01 . 1 . . . . 14 Lys HE1 . 25771 1 97 . 1 1 14 14 LYS HE3 H 1 2.913 0.01 . 1 . . . . 14 Lys HE2 . 25771 1 98 . 1 1 15 15 GLY H H 1 8.512 0.01 . 1 . . . . 15 Gly HN . 25771 1 99 . 1 1 15 15 GLY HA2 H 1 3.883 0.01 . 1 . . . . 15 Gly HA1 . 25771 1 100 . 1 1 15 15 GLY HA3 H 1 3.883 0.01 . 1 . . . . 15 Gly HA2 . 25771 1 101 . 1 1 16 16 ARG H H 1 8.113 0.01 . 1 . . . . 16 Arg HN . 25771 1 102 . 1 1 16 16 ARG HA H 1 4.287 0.01 . 1 . . . . 16 Arg HA . 25771 1 103 . 1 1 16 16 ARG HB2 H 1 1.673 0.01 . 1 . . . . 16 Arg HB1 . 25771 1 104 . 1 1 16 16 ARG HB3 H 1 1.751 0.01 . 1 . . . . 16 Arg HB2 . 25771 1 105 . 1 1 16 16 ARG HG2 H 1 1.498 0.01 . 1 . . . . 16 Arg HG1 . 25771 1 106 . 1 1 16 16 ARG HG3 H 1 1.544 0.01 . 1 . . . . 16 Arg HG2 . 25771 1 107 . 1 1 16 16 ARG HD2 H 1 3.105 0.01 . 1 . . . . 16 Arg HD1 . 25771 1 108 . 1 1 16 16 ARG HD3 H 1 3.105 0.01 . 1 . . . . 16 Arg HD2 . 25771 1 109 . 1 1 16 16 ARG HE H 1 7.178 0.01 . 1 . . . . 16 Arg HE . 25771 1 110 . 1 1 17 17 VAL H H 1 8.261 0.01 . 1 . . . . 17 Val HN . 25771 1 111 . 1 1 17 17 VAL HA H 1 4.072 0.01 . 1 . . . . 17 Val HA . 25771 1 112 . 1 1 17 17 VAL HB H 1 1.994 0.01 . 1 . . . . 17 Val HB . 25771 1 113 . 1 1 17 17 VAL HG11 H 1 0.861 0.01 . 1 . . . . 17 Val HG11 . 25771 1 114 . 1 1 17 17 VAL HG12 H 1 0.861 0.01 . 1 . . . . 17 Val HG12 . 25771 1 115 . 1 1 17 17 VAL HG13 H 1 0.861 0.01 . 1 . . . . 17 Val HG13 . 25771 1 116 . 1 1 17 17 VAL HG21 H 1 0.861 0.01 . 1 . . . . 17 Val HG21 . 25771 1 117 . 1 1 17 17 VAL HG22 H 1 0.861 0.01 . 1 . . . . 17 Val HG22 . 25771 1 118 . 1 1 17 17 VAL HG23 H 1 0.861 0.01 . 1 . . . . 17 Val HG23 . 25771 1 119 . 1 1 18 18 PRO HA H 1 4.315 0.01 . 1 . . . . 18 Pro HA . 25771 1 120 . 1 1 18 18 PRO HB2 H 1 1.886 0.01 . 1 . . . . 18 Pro HB1 . 25771 1 121 . 1 1 18 18 PRO HB3 H 1 2.165 0.01 . 1 . . . . 18 Pro HB2 . 25771 1 122 . 1 1 18 18 PRO HG2 H 1 1.944 0.01 . 1 . . . . 18 Pro HG1 . 25771 1 123 . 1 1 18 18 PRO HG3 H 1 1.944 0.01 . 1 . . . . 18 Pro HG2 . 25771 1 124 . 1 1 18 18 PRO HD2 H 1 3.797 0.01 . 1 . . . . 18 Pro HD1 . 25771 1 125 . 1 1 18 18 PRO HD3 H 1 3.599 0.01 . 1 . . . . 18 Pro HD2 . 25771 1 126 . 1 1 19 19 PHE H H 1 8.368 0.01 . 1 . . . . 19 Phe HN . 25771 1 127 . 1 1 19 19 PHE HA H 1 4.494 0.01 . 1 . . . . 19 Phe HA . 25771 1 128 . 1 1 19 19 PHE HB2 H 1 2.970 0.01 . 1 . . . . 19 Phe HB1 . 25771 1 129 . 1 1 19 19 PHE HB3 H 1 3.065 0.01 . 1 . . . . 19 Phe HB2 . 25771 1 130 . 1 1 19 19 PHE HD1 H 1 7.201 0.01 . 1 . . . . 19 Phe HD# . 25771 1 131 . 1 1 19 19 PHE HD2 H 1 7.201 0.01 . 1 . . . . 19 Phe HD# . 25771 1 132 . 1 1 19 19 PHE HE1 H 1 7.278 0.01 . 1 . . . . 19 Phe HE# . 25771 1 133 . 1 1 19 19 PHE HE2 H 1 7.278 0.01 . 1 . . . . 19 Phe HE# . 25771 1 134 . 1 1 19 19 PHE HZ H 1 7.237 0.01 . 1 . . . . 19 Phe HZ . 25771 1 135 . 1 1 20 20 ASN H H 1 8.367 0.01 . 1 . . . . 20 Asn HN . 25771 1 136 . 1 1 20 20 ASN HA H 1 4.545 0.01 . 1 . . . . 20 Asn HA . 25771 1 137 . 1 1 20 20 ASN HB2 H 1 2.621 0.01 . 1 . . . . 20 Asn HB1 . 25771 1 138 . 1 1 20 20 ASN HB3 H 1 2.697 0.01 . 1 . . . . 20 Asn HB2 . 25771 1 139 . 1 1 20 20 ASN HD21 H 1 7.520 0.01 . 1 . . . . 20 Asn HD21 . 25771 1 140 . 1 1 20 20 ASN HD22 H 1 6.829 0.01 . 1 . . . . 20 Asn HD22 . 25771 1 141 . 1 1 21 21 GLY H H 1 7.607 0.01 . 1 . . . . 21 Gly HN . 25771 1 142 . 1 1 21 21 GLY HA2 H 1 3.771 0.01 . 1 . . . . 21 Gly HA1 . 25771 1 143 . 1 1 21 21 GLY HA3 H 1 3.771 0.01 . 1 . . . . 21 Gly HA2 . 25771 1 144 . 1 1 22 22 GLN H H 1 8.082 0.01 . 1 . . . . 22 Gln HN . 25771 1 145 . 1 1 22 22 GLN HA H 1 4.274 0.01 . 1 . . . . 22 Gln HA . 25771 1 146 . 1 1 22 22 GLN HB2 H 1 1.859 0.01 . 1 . . . . 22 Gln HB1 . 25771 1 147 . 1 1 22 22 GLN HB3 H 1 2.002 0.01 . 1 . . . . 22 Gln HB2 . 25771 1 148 . 1 1 22 22 GLN HG2 H 1 2.238 0.01 . 1 . . . . 22 Gln HG1 . 25771 1 149 . 1 1 22 22 GLN HG3 H 1 2.238 0.01 . 1 . . . . 22 Gln HG2 . 25771 1 150 . 1 1 22 22 GLN HE21 H 1 6.817 0.01 . 1 . . . . 22 Gln HE21 . 25771 1 151 . 1 1 22 22 GLN HE22 H 1 7.521 0.01 . 1 . . . . 22 Gln HE22 . 25771 1 152 . 1 1 23 23 ASP H H 1 8.369 0.01 . 1 . . . . 23 Asp HN . 25771 1 153 . 1 1 23 23 ASP HA H 1 4.739 0.01 . 1 . . . . 23 Asp HA . 25771 1 154 . 1 1 23 23 ASP HB2 H 1 2.629 0.01 . 1 . . . . 23 Asp HB1 . 25771 1 155 . 1 1 23 23 ASP HB3 H 1 2.690 0.01 . 1 . . . . 23 Asp HB2 . 25771 1 156 . 1 1 24 24 PRO HA H 1 4.336 0.01 . 1 . . . . 24 Pro HA . 25771 1 157 . 1 1 24 24 PRO HB2 H 1 1.829 0.01 . 1 . . . . 24 Pro HB1 . 25771 1 158 . 1 1 24 24 PRO HB3 H 1 2.179 0.01 . 1 . . . . 24 Pro HB2 . 25771 1 159 . 1 1 24 24 PRO HG2 H 1 1.931 0.01 . 1 . . . . 24 Pro HG1 . 25771 1 160 . 1 1 24 24 PRO HG3 H 1 1.931 0.01 . 1 . . . . 24 Pro HG2 . 25771 1 161 . 1 1 24 24 PRO HD2 H 1 3.784 0.01 . 1 . . . . 24 Pro HD1 . 25771 1 162 . 1 1 24 24 PRO HD3 H 1 3.685 0.01 . 1 . . . . 24 Pro HD2 . 25771 1 163 . 1 1 25 25 VAL H H 1 8.192 0.01 . 1 . . . . 25 Val HN . 25771 1 164 . 1 1 25 25 VAL HA H 1 3.930 0.01 . 1 . . . . 25 Val HA . 25771 1 165 . 1 1 25 25 VAL HB H 1 1.999 0.01 . 1 . . . . 25 Val HB . 25771 1 166 . 1 1 25 25 VAL HG11 H 1 0.858 0.01 . 1 . . . . 25 Val HG11 . 25771 1 167 . 1 1 25 25 VAL HG12 H 1 0.858 0.01 . 1 . . . . 25 Val HG12 . 25771 1 168 . 1 1 25 25 VAL HG13 H 1 0.858 0.01 . 1 . . . . 25 Val HG13 . 25771 1 169 . 1 1 25 25 VAL HG21 H 1 0.867 0.01 . 1 . . . . 25 Val HG21 . 25771 1 170 . 1 1 25 25 VAL HG22 H 1 0.867 0.01 . 1 . . . . 25 Val HG22 . 25771 1 171 . 1 1 25 25 VAL HG23 H 1 0.867 0.01 . 1 . . . . 25 Val HG23 . 25771 1 172 . 1 1 26 26 LYS H H 1 8.252 0.01 . 1 . . . . 26 Lys HN . 25771 1 173 . 1 1 26 26 LYS HA H 1 4.224 0.01 . 1 . . . . 26 Lys HA . 25771 1 174 . 1 1 26 26 LYS HB2 H 1 1.756 0.01 . 1 . . . . 26 Lys HB1 . 25771 1 175 . 1 1 26 26 LYS HB3 H 1 1.681 0.01 . 1 . . . . 26 Lys HB2 . 25771 1 176 . 1 1 26 26 LYS HG2 H 1 1.341 0.01 . 1 . . . . 26 Lys HG1 . 25771 1 177 . 1 1 26 26 LYS HG3 H 1 1.389 0.01 . 1 . . . . 26 Lys HG2 . 25771 1 178 . 1 1 26 26 LYS HD2 H 1 1.597 0.01 . 1 . . . . 26 Lys HD1 . 25771 1 179 . 1 1 26 26 LYS HD3 H 1 1.597 0.01 . 1 . . . . 26 Lys HD2 . 25771 1 180 . 1 1 26 26 LYS HE2 H 1 2.923 0.01 . 1 . . . . 26 Lys HE1 . 25771 1 181 . 1 1 26 26 LYS HE3 H 1 2.923 0.01 . 1 . . . . 26 Lys HE2 . 25771 1 182 . 1 1 27 27 GLY H H 1 8.369 0.01 . 1 . . . . 27 Gly HN . 25771 1 183 . 1 1 27 27 GLY HA2 H 1 3.857 0.01 . 1 . . . . 27 Gly HA1 . 25771 1 184 . 1 1 27 27 GLY HA3 H 1 3.857 0.01 . 1 . . . . 27 Gly HA2 . 25771 1 185 . 1 1 28 28 GLN H H 1 8.162 0.01 . 1 . . . . 28 Gln HN . 25771 1 186 . 1 1 28 28 GLN HA H 1 4.292 0.01 . 1 . . . . 28 Gln HA . 25771 1 187 . 1 1 28 28 GLN HB2 H 1 2.006 0.01 . 1 . . . . 28 Gln HB1 . 25771 1 188 . 1 1 28 28 GLN HB3 H 1 1.896 0.01 . 1 . . . . 28 Gln HB2 . 25771 1 189 . 1 1 28 28 GLN HG2 H 1 2.261 0.01 . 1 . . . . 28 Gln HG1 . 25771 1 190 . 1 1 28 28 GLN HG3 H 1 2.261 0.01 . 1 . . . . 28 Gln HG2 . 25771 1 191 . 1 1 28 28 GLN HE21 H 1 7.537 0.01 . 1 . . . . 28 Gln HE21 . 25771 1 192 . 1 1 28 28 GLN HE22 H 1 6.846 0.01 . 1 . . . . 28 Gln HE22 . 25771 1 193 . 1 1 29 29 VAL H H 1 7.980 0.01 . 1 . . . . 29 Val HN . 25771 1 194 . 1 1 29 29 VAL HA H 1 4.094 0.01 . 1 . . . . 29 Val HA . 25771 1 195 . 1 1 29 29 VAL HB H 1 1.898 0.01 . 1 . . . . 29 Val HB . 25771 1 196 . 1 1 29 29 VAL HG11 H 1 0.811 0.01 . 1 . . . . 29 Val HG11 . 25771 1 197 . 1 1 29 29 VAL HG12 H 1 0.811 0.01 . 1 . . . . 29 Val HG12 . 25771 1 198 . 1 1 29 29 VAL HG13 H 1 0.811 0.01 . 1 . . . . 29 Val HG13 . 25771 1 199 . 1 1 29 29 VAL HG21 H 1 0.859 0.01 . 1 . . . . 29 Val HG21 . 25771 1 200 . 1 1 29 29 VAL HG22 H 1 0.859 0.01 . 1 . . . . 29 Val HG22 . 25771 1 201 . 1 1 29 29 VAL HG23 H 1 0.859 0.01 . 1 . . . . 29 Val HG23 . 25771 1 202 . 1 1 30 30 SER H H 1 8.438 0.01 . 1 . . . . 30 Ser HN . 25771 1 203 . 1 1 30 30 SER HA H 1 4.436 0.01 . 1 . . . . 30 Ser HA . 25771 1 204 . 1 1 30 30 SER HB2 H 1 3.757 0.01 . 1 . . . . 30 Ser HB1 . 25771 1 205 . 1 1 30 30 SER HB3 H 1 3.757 0.01 . 1 . . . . 30 Ser HB2 . 25771 1 206 . 1 1 31 31 VAL H H 1 8.261 0.01 . 1 . . . . 31 Val HN . 25771 1 207 . 1 1 31 31 VAL HA H 1 4.329 0.01 . 1 . . . . 31 Val HA . 25771 1 208 . 1 1 31 31 VAL HB H 1 2.002 0.01 . 1 . . . . 31 Val HB . 25771 1 209 . 1 1 31 31 VAL HG11 H 1 0.866 0.01 . 1 . . . . 31 Val HG11 . 25771 1 210 . 1 1 31 31 VAL HG12 H 1 0.866 0.01 . 1 . . . . 31 Val HG12 . 25771 1 211 . 1 1 31 31 VAL HG13 H 1 0.866 0.01 . 1 . . . . 31 Val HG13 . 25771 1 212 . 1 1 31 31 VAL HG21 H 1 0.858 0.01 . 1 . . . . 31 Val HG21 . 25771 1 213 . 1 1 31 31 VAL HG22 H 1 0.858 0.01 . 1 . . . . 31 Val HG22 . 25771 1 214 . 1 1 31 31 VAL HG23 H 1 0.858 0.01 . 1 . . . . 31 Val HG23 . 25771 1 215 . 1 1 32 32 LYS H H 1 8.425 0.01 . 1 . . . . 32 Lys HN . 25771 1 216 . 1 1 32 32 LYS HA H 1 4.209 0.01 . 1 . . . . 32 Lys HA . 25771 1 217 . 1 1 32 32 LYS HB2 H 1 1.754 0.01 . 1 . . . . 32 Lys HB1 . 25771 1 218 . 1 1 32 32 LYS HB3 H 1 1.688 0.01 . 1 . . . . 32 Lys HB2 . 25771 1 219 . 1 1 32 32 LYS HG2 H 1 1.386 0.01 . 1 . . . . 32 Lys HG1 . 25771 1 220 . 1 1 32 32 LYS HG3 H 1 1.348 0.01 . 1 . . . . 32 Lys HG2 . 25771 1 221 . 1 1 32 32 LYS HD2 H 1 1.598 0.01 . 1 . . . . 32 Lys HD1 . 25771 1 222 . 1 1 32 32 LYS HD3 H 1 1.598 0.01 . 1 . . . . 32 Lys HD2 . 25771 1 223 . 1 1 33 33 GLY H H 1 8.372 0.01 . 1 . . . . 33 Gly HN . 25771 1 224 . 1 1 33 33 GLY HA2 H 1 3.859 0.01 . 1 . . . . 33 Gly HA1 . 25771 1 225 . 1 1 33 33 GLY HA3 H 1 3.859 0.01 . 1 . . . . 33 Gly HA2 . 25771 1 226 . 1 1 34 34 GLN H H 1 8.262 0.01 . 1 . . . . 34 Gln HN . 25771 1 227 . 1 1 34 34 GLN HA H 1 4.281 0.01 . 1 . . . . 34 Gln HA . 25771 1 228 . 1 1 34 34 GLN HB2 H 1 1.897 0.01 . 1 . . . . 34 Gln HB1 . 25771 1 229 . 1 1 34 34 GLN HB3 H 1 1.999 0.01 . 1 . . . . 34 Gln HB2 . 25771 1 230 . 1 1 34 34 GLN HG2 H 1 2.266 0.01 . 1 . . . . 34 Gln HG1 . 25771 1 231 . 1 1 34 34 GLN HG3 H 1 2.264 0.01 . 1 . . . . 34 Gln HG2 . 25771 1 232 . 1 1 34 34 GLN HE21 H 1 6.846 0.01 . 1 . . . . 34 Gln HE21 . 25771 1 233 . 1 1 34 34 GLN HE22 H 1 7.535 0.01 . 1 . . . . 34 Gln HE22 . 25771 1 234 . 1 1 35 35 ASP H H 1 8.434 0.01 . 1 . . . . 35 Asp HN . 25771 1 235 . 1 1 35 35 ASP HA H 1 4.477 0.01 . 1 . . . . 35 Asp HA . 25771 1 236 . 1 1 35 35 ASP HB2 H 1 2.542 0.01 . 1 . . . . 35 Asp HB1 . 25771 1 237 . 1 1 35 35 ASP HB3 H 1 2.609 0.01 . 1 . . . . 35 Asp HB2 . 25771 1 238 . 1 1 36 36 LYS H H 1 8.249 0.01 . 1 . . . . 36 Lys HN . 25771 1 239 . 1 1 36 36 LYS HA H 1 4.224 0.01 . 1 . . . . 36 Lys HA . 25771 1 240 . 1 1 36 36 LYS HB2 H 1 1.687 0.01 . 1 . . . . 36 Lys HB1 . 25771 1 241 . 1 1 36 36 LYS HB3 H 1 1.754 0.01 . 1 . . . . 36 Lys HB2 . 25771 1 242 . 1 1 36 36 LYS HG2 H 1 1.387 0.01 . 1 . . . . 36 Lys HG1 . 25771 1 243 . 1 1 36 36 LYS HG3 H 1 1.346 0.01 . 1 . . . . 36 Lys HG2 . 25771 1 244 . 1 1 36 36 LYS HD2 H 1 1.597 0.01 . 1 . . . . 36 Lys HD1 . 25771 1 245 . 1 1 36 36 LYS HD3 H 1 1.597 0.01 . 1 . . . . 36 Lys HD2 . 25771 1 246 . 1 1 36 36 LYS HE2 H 1 2.919 0.01 . 1 . . . . 36 Lys HE1 . 25771 1 247 . 1 1 36 36 LYS HE3 H 1 2.919 0.01 . 1 . . . . 36 Lys HE2 . 25771 1 248 . 1 1 37 37 VAL H H 1 8.104 0.01 . 1 . . . . 37 Val HN . 25771 1 249 . 1 1 37 37 VAL HA H 1 3.971 0.01 . 1 . . . . 37 Val HA . 25771 1 250 . 1 1 37 37 VAL HB H 1 2.004 0.01 . 1 . . . . 37 Val HB . 25771 1 251 . 1 1 37 37 VAL HG11 H 1 0.863 0.01 . 1 . . . . 37 Val HG11 . 25771 1 252 . 1 1 37 37 VAL HG12 H 1 0.863 0.01 . 1 . . . . 37 Val HG12 . 25771 1 253 . 1 1 37 37 VAL HG13 H 1 0.863 0.01 . 1 . . . . 37 Val HG13 . 25771 1 254 . 1 1 37 37 VAL HG21 H 1 0.863 0.01 . 1 . . . . 37 Val HG21 . 25771 1 255 . 1 1 37 37 VAL HG22 H 1 0.863 0.01 . 1 . . . . 37 Val HG22 . 25771 1 256 . 1 1 37 37 VAL HG23 H 1 0.863 0.01 . 1 . . . . 37 Val HG23 . 25771 1 257 . 1 1 38 38 LYS H H 1 8.366 0.01 . 1 . . . . 38 Lys HN . 25771 1 258 . 1 1 38 38 LYS HA H 1 4.174 0.01 . 1 . . . . 38 Lys HA . 25771 1 259 . 1 1 38 38 LYS HB2 H 1 1.751 0.01 . 1 . . . . 38 Lys HB1 . 25771 1 260 . 1 1 38 38 LYS HB3 H 1 1.683 0.01 . 1 . . . . 38 Lys HB2 . 25771 1 261 . 1 1 38 38 LYS HG2 H 1 1.336 0.01 . 1 . . . . 38 Lys HG1 . 25771 1 262 . 1 1 38 38 LYS HG3 H 1 1.397 0.01 . 1 . . . . 38 Lys HG2 . 25771 1 263 . 1 1 38 38 LYS HD2 H 1 1.608 0.01 . 1 . . . . 38 Lys HD1 . 25771 1 264 . 1 1 38 38 LYS HD3 H 1 1.608 0.01 . 1 . . . . 38 Lys HD2 . 25771 1 265 . 1 1 38 38 LYS HE2 H 1 2.930 0.01 . 1 . . . . 38 Lys HE1 . 25771 1 266 . 1 1 38 38 LYS HE3 H 1 2.930 0.01 . 1 . . . . 38 Lys HE2 . 25771 1 stop_ save_