data_26554 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26554 _Entry.Title ; Chemical shift assignments of K2 dehydrin in the presence of SDS micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-11 _Entry.Accession_date 2015-04-11 _Entry.Last_release_date 2015-04-13 _Entry.Original_release_date 2015-04-13 _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 Steffen Graether . . . . 26554 2 Josephine Warnica . . . . 26554 3 John Atkinson . . . . 26554 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26554 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 150 26554 '15N chemical shifts' 44 26554 '1H chemical shifts' 233 26554 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 . . 2017-08-24 . original BMRB . 26554 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26554 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M115.678219 _Citation.PubMed_ID 26370084 _Citation.Full_citation . _Citation.Title ; Structural and Functional Insights into the Cryoprotection of Membranes by the Intrinsically Disordered Dehydrins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 290 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 26900 _Citation.Page_last 26913 _Citation.Year 2015 _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 Matthew Clarke M. W. . . 26554 1 2 Kelly Boddington K. F. . . 26554 1 3 Josephine Warnica J. M. . . 26554 1 4 John Atkinson J. . . . 26554 1 5 Sarah McKenna S. . . . 26554 1 6 Jeffrey Madge J. . . . 26554 1 7 Christine Barker C. H. . . 26554 1 8 Steffen Graether S. P. . . 26554 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26554 _Assembly.ID 1 _Assembly.Name K2 _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 K2 1 $K2 A . yes native no no . . . 26554 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K2 _Entity.Sf_category entity _Entity.Sf_framecode K2 _Entity.Entry_ID 26554 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K2 _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 ; MKEKIKERIPGMGRKDEQKQ TSATSTPGQGQQQKGMMEKI KEKLPGAH ; _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 48 _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 MET . 26554 1 2 2 LYS . 26554 1 3 3 GLU . 26554 1 4 4 LYS . 26554 1 5 5 ILE . 26554 1 6 6 LYS . 26554 1 7 7 GLU . 26554 1 8 8 ARG . 26554 1 9 9 ILE . 26554 1 10 10 PRO . 26554 1 11 11 GLY . 26554 1 12 12 MET . 26554 1 13 13 GLY . 26554 1 14 14 ARG . 26554 1 15 15 LYS . 26554 1 16 16 ASP . 26554 1 17 17 GLU . 26554 1 18 18 GLN . 26554 1 19 19 LYS . 26554 1 20 20 GLN . 26554 1 21 21 THR . 26554 1 22 22 SER . 26554 1 23 23 ALA . 26554 1 24 24 THR . 26554 1 25 25 SER . 26554 1 26 26 THR . 26554 1 27 27 PRO . 26554 1 28 28 GLY . 26554 1 29 29 GLN . 26554 1 30 30 GLY . 26554 1 31 31 GLN . 26554 1 32 32 GLN . 26554 1 33 33 GLN . 26554 1 34 34 LYS . 26554 1 35 35 GLY . 26554 1 36 36 MET . 26554 1 37 37 MET . 26554 1 38 38 GLU . 26554 1 39 39 LYS . 26554 1 40 40 ILE . 26554 1 41 41 LYS . 26554 1 42 42 GLU . 26554 1 43 43 LYS . 26554 1 44 44 LEU . 26554 1 45 45 PRO . 26554 1 46 46 GLY . 26554 1 47 47 ALA . 26554 1 48 48 HIS . 26554 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26554 1 . LYS 2 2 26554 1 . GLU 3 3 26554 1 . LYS 4 4 26554 1 . ILE 5 5 26554 1 . LYS 6 6 26554 1 . GLU 7 7 26554 1 . ARG 8 8 26554 1 . ILE 9 9 26554 1 . PRO 10 10 26554 1 . GLY 11 11 26554 1 . MET 12 12 26554 1 . GLY 13 13 26554 1 . ARG 14 14 26554 1 . LYS 15 15 26554 1 . ASP 16 16 26554 1 . GLU 17 17 26554 1 . GLN 18 18 26554 1 . LYS 19 19 26554 1 . GLN 20 20 26554 1 . THR 21 21 26554 1 . SER 22 22 26554 1 . ALA 23 23 26554 1 . THR 24 24 26554 1 . SER 25 25 26554 1 . THR 26 26 26554 1 . PRO 27 27 26554 1 . GLY 28 28 26554 1 . GLN 29 29 26554 1 . GLY 30 30 26554 1 . GLN 31 31 26554 1 . GLN 32 32 26554 1 . GLN 33 33 26554 1 . LYS 34 34 26554 1 . GLY 35 35 26554 1 . MET 36 36 26554 1 . MET 37 37 26554 1 . GLU 38 38 26554 1 . LYS 39 39 26554 1 . ILE 40 40 26554 1 . LYS 41 41 26554 1 . GLU 42 42 26554 1 . LYS 43 43 26554 1 . LEU 44 44 26554 1 . PRO 45 45 26554 1 . GLY 46 46 26554 1 . ALA 47 47 26554 1 . HIS 48 48 26554 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 26554 _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 $K2 . 96939 organism . 'Vitis riparia' 'riverbank grape' . . Eukaryota Viridipplantae Vitis riparia . . . . . . . . . . . . . 26554 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 26554 _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 $K2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22b . . . 26554 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26554 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 K2 '[U-100% 13C; U-100% 15N]' . . 1 $K2 . . . 0.2 1.0 mM . . . . 26554 1 2 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 26554 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26554 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26554 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 26554 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.010 . M 26554 1 pH 6.0 . pH 26554 1 pressure 1 . atm 26554 1 temperature 300 . K 26554 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26554 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26554 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26554 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26554 _Software.ID 2 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED' . . 26554 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26554 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26554 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26554 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26554 3 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 26554 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26554 _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 . 600 . . . 26554 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 26554 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26554 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 26554 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26554 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26554 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26554 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 26554 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26554 1 2 '3D CBCA(CO)NH' . . . 26554 1 3 '3D HNCO' . . . 26554 1 4 '3D HNCACB' . . . 26554 1 5 '3D HCCH-TOCSY' . . . 26554 1 6 '3D 1H-15N TOCSY' . . . 26554 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 LYS H H 1 8.568 0.003 . 1 . 45 . . 2 LYS H . 26554 1 2 . 1 1 2 2 LYS HA H 1 4.211 0.021 . 1 . 350 . . 2 LYS HA . 26554 1 3 . 1 1 2 2 LYS HB2 H 1 1.869 0.009 . 1 . 352 . . 2 LYS HB2 . 26554 1 4 . 1 1 2 2 LYS HB3 H 1 1.826 0.012 . 1 . 351 . . 2 LYS HB3 . 26554 1 5 . 1 1 2 2 LYS HG2 H 1 1.563 0.007 . 1 . 370 . . 2 LYS HG2 . 26554 1 6 . 1 1 2 2 LYS HG3 H 1 1.563 0.007 . 1 . 371 . . 2 LYS HG3 . 26554 1 7 . 1 1 2 2 LYS C C 13 176.721 . . 1 . 139 . . 2 LYS C . 26554 1 8 . 1 1 2 2 LYS CA C 13 58.144 0.047 . 1 . 140 . . 2 LYS CA . 26554 1 9 . 1 1 2 2 LYS CB C 13 32.277 0.045 . 1 . 214 . . 2 LYS CB . 26554 1 10 . 1 1 2 2 LYS CG C 13 25.101 . . 1 . 372 . . 2 LYS CG . 26554 1 11 . 1 1 2 2 LYS N N 15 122.126 0.008 . 1 . 46 . . 2 LYS N . 26554 1 12 . 1 1 3 3 GLU H H 1 8.721 0.004 . 1 . 43 . . 3 GLU H . 26554 1 13 . 1 1 3 3 GLU HA H 1 4.152 0.001 . 1 . 349 . . 3 GLU HA . 26554 1 14 . 1 1 3 3 GLU HB2 H 1 2.069 0.004 . 1 . 368 . . 3 GLU HB2 . 26554 1 15 . 1 1 3 3 GLU HB3 H 1 2.068 0.005 . 1 . 369 . . 3 GLU HB3 . 26554 1 16 . 1 1 3 3 GLU HG2 H 1 2.388 . . 1 . 356 . . 3 GLU HG2 . 26554 1 17 . 1 1 3 3 GLU HG3 H 1 2.388 0.0 . 1 . 354 . . 3 GLU HG3 . 26554 1 18 . 1 1 3 3 GLU C C 13 177.193 . . 1 . 138 . . 3 GLU C . 26554 1 19 . 1 1 3 3 GLU CA C 13 58.389 0.047 . 1 . 213 . . 3 GLU CA . 26554 1 20 . 1 1 3 3 GLU CB C 13 28.968 0.079 . 1 . 353 . . 3 GLU CB . 26554 1 21 . 1 1 3 3 GLU CG C 13 36.101 . . 1 . 355 . . 3 GLU CG . 26554 1 22 . 1 1 3 3 GLU N N 15 121.329 0.025 . 1 . 44 . . 3 GLU N . 26554 1 23 . 1 1 4 4 LYS H H 1 8.191 0.001 . 1 . 63 . . 4 LYS H . 26554 1 24 . 1 1 4 4 LYS HA H 1 4.205 . . 1 . 242 . . 4 LYS HA . 26554 1 25 . 1 1 4 4 LYS HB2 H 1 1.853 . . 1 . 320 . . 4 LYS HB2 . 26554 1 26 . 1 1 4 4 LYS HB3 H 1 1.853 . . 1 . 241 . . 4 LYS HB3 . 26554 1 27 . 1 1 4 4 LYS HG2 H 1 1.226 . . 1 . 321 . . 4 LYS HG2 . 26554 1 28 . 1 1 4 4 LYS HG3 H 1 1.226 . . 1 . 240 . . 4 LYS HG3 . 26554 1 29 . 1 1 4 4 LYS C C 13 178.228 . . 1 . 116 . . 4 LYS C . 26554 1 30 . 1 1 4 4 LYS CA C 13 58.271 . . 1 . 198 . . 4 LYS CA . 26554 1 31 . 1 1 4 4 LYS CB C 13 32.467 . . 1 . 197 . . 4 LYS CB . 26554 1 32 . 1 1 4 4 LYS N N 15 118.240 0.023 . 1 . 64 . . 4 LYS N . 26554 1 33 . 1 1 5 5 ILE H H 1 7.553 0.006 . 1 . 29 . . 5 ILE H . 26554 1 34 . 1 1 5 5 ILE HA H 1 3.786 0.007 . 1 . 247 . . 5 ILE HA . 26554 1 35 . 1 1 5 5 ILE HB H 1 1.975 0.005 . 1 . 322 . . 5 ILE HB . 26554 1 36 . 1 1 5 5 ILE HG12 H 1 1.644 0.003 . 1 . 411 . . 5 ILE HG12 . 26554 1 37 . 1 1 5 5 ILE HG13 H 1 1.644 0.003 . 1 . 410 . . 5 ILE HG13 . 26554 1 38 . 1 1 5 5 ILE HG21 H 1 0.932 0.002 . 1 . 248 . . 5 ILE HG21 . 26554 1 39 . 1 1 5 5 ILE HG22 H 1 0.932 0.002 . 1 . 248 . . 5 ILE HG22 . 26554 1 40 . 1 1 5 5 ILE HG23 H 1 0.932 0.002 . 1 . 248 . . 5 ILE HG23 . 26554 1 41 . 1 1 5 5 ILE C C 13 177.357 . . 1 . 120 . . 5 ILE C . 26554 1 42 . 1 1 5 5 ILE CA C 13 64.166 0.045 . 1 . 119 . . 5 ILE CA . 26554 1 43 . 1 1 5 5 ILE CB C 13 37.697 0.073 . 1 . 118 . . 5 ILE CB . 26554 1 44 . 1 1 5 5 ILE CG1 C 13 28.963 0.295 . 1 . 412 . . 5 ILE CG1 . 26554 1 45 . 1 1 5 5 ILE CG2 C 13 17.793 0.051 . 1 . 382 . . 5 ILE CG2 . 26554 1 46 . 1 1 5 5 ILE N N 15 118.269 0.02 . 1 . 30 . . 5 ILE N . 26554 1 47 . 1 1 6 6 LYS H H 1 7.901 0.001 . 1 . 189 . . 6 LYS H . 26554 1 48 . 1 1 6 6 LYS HA H 1 3.927 . . 1 . 324 . . 6 LYS HA . 26554 1 49 . 1 1 6 6 LYS C C 13 178.157 . . 1 . 191 . . 6 LYS C . 26554 1 50 . 1 1 6 6 LYS CA C 13 59.498 . . 1 . 192 . . 6 LYS CA . 26554 1 51 . 1 1 6 6 LYS CB C 13 32.373 . . 1 . 193 . . 6 LYS CB . 26554 1 52 . 1 1 6 6 LYS N N 15 118.230 0.026 . 1 . 190 . . 6 LYS N . 26554 1 53 . 1 1 7 7 GLU H H 1 7.691 0.003 . 1 . 15 . . 7 GLU H . 26554 1 54 . 1 1 7 7 GLU HA H 1 4.126 0.016 . 1 . 224 . . 7 GLU HA . 26554 1 55 . 1 1 7 7 GLU HB2 H 1 2.137 0.011 . 1 . 226 . . 7 GLU HB2 . 26554 1 56 . 1 1 7 7 GLU HB3 H 1 2.068 0.002 . 1 . 326 . . 7 GLU HB3 . 26554 1 57 . 1 1 7 7 GLU HG2 H 1 2.418 0.003 . 1 . 225 . . 7 GLU HG2 . 26554 1 58 . 1 1 7 7 GLU HG3 H 1 2.418 0.003 . 1 . 327 . . 7 GLU HG3 . 26554 1 59 . 1 1 7 7 GLU C C 13 177.196 . . 1 . 95 . . 7 GLU C . 26554 1 60 . 1 1 7 7 GLU CA C 13 57.790 0.068 . 1 . 94 . . 7 GLU CA . 26554 1 61 . 1 1 7 7 GLU CB C 13 29.416 0.002 . 1 . 93 . . 7 GLU CB . 26554 1 62 . 1 1 7 7 GLU CG C 13 35.271 . . 1 . 360 . . 7 GLU CG . 26554 1 63 . 1 1 7 7 GLU N N 15 114.693 0.045 . 1 . 16 . . 7 GLU N . 26554 1 64 . 1 1 8 8 ARG H H 1 7.669 0.004 . 1 . 25 . . 8 ARG H . 26554 1 65 . 1 1 8 8 ARG HA H 1 4.342 . . 1 . 328 . . 8 ARG HA . 26554 1 66 . 1 1 8 8 ARG HB2 H 1 1.991 . . 1 . 329 . . 8 ARG HB2 . 26554 1 67 . 1 1 8 8 ARG HB3 H 1 1.991 . . 1 . 330 . . 8 ARG HB3 . 26554 1 68 . 1 1 8 8 ARG HG2 H 1 1.619 . . 1 . 331 . . 8 ARG HG2 . 26554 1 69 . 1 1 8 8 ARG HG3 H 1 1.619 . . 1 . 332 . . 8 ARG HG3 . 26554 1 70 . 1 1 8 8 ARG C C 13 176.082 . . 1 . 112 . . 8 ARG C . 26554 1 71 . 1 1 8 8 ARG CA C 13 56.210 . . 1 . 194 . . 8 ARG CA . 26554 1 72 . 1 1 8 8 ARG CB C 13 31.179 . . 1 . 195 . . 8 ARG CB . 26554 1 73 . 1 1 8 8 ARG N N 15 117.305 0.087 . 1 . 26 . . 8 ARG N . 26554 1 74 . 1 1 9 9 ILE H H 1 7.424 0.002 . 1 . 39 . . 9 ILE H . 26554 1 75 . 1 1 9 9 ILE HA H 1 4.268 0.003 . 1 . 244 . . 9 ILE HA . 26554 1 76 . 1 1 9 9 ILE HB H 1 2.025 0.004 . 1 . 245 . . 9 ILE HB . 26554 1 77 . 1 1 9 9 ILE HG21 H 1 0.990 0.001 . 1 . 246 . . 9 ILE HG21 . 26554 1 78 . 1 1 9 9 ILE HG22 H 1 0.990 0.001 . 1 . 246 . . 9 ILE HG22 . 26554 1 79 . 1 1 9 9 ILE HG23 H 1 0.990 0.001 . 1 . 246 . . 9 ILE HG23 . 26554 1 80 . 1 1 9 9 ILE C C 13 174.270 . . 1 . 127 . . 9 ILE C . 26554 1 81 . 1 1 9 9 ILE CA C 13 60.572 0.029 . 1 . 128 . . 9 ILE CA . 26554 1 82 . 1 1 9 9 ILE CB C 13 37.885 0.019 . 1 . 196 . . 9 ILE CB . 26554 1 83 . 1 1 9 9 ILE CG2 C 13 17.693 . . 1 . 357 . . 9 ILE CG2 . 26554 1 84 . 1 1 9 9 ILE N N 15 118.827 0.029 . 1 . 40 . . 9 ILE N . 26554 1 85 . 1 1 10 10 PRO HA H 1 4.448 0.009 . 1 . 386 . . 10 PRO HA . 26554 1 86 . 1 1 10 10 PRO HB2 H 1 2.366 0.012 . 1 . 391 . . 10 PRO HB2 . 26554 1 87 . 1 1 10 10 PRO HB3 H 1 2.366 0.012 . 1 . 389 . . 10 PRO HB3 . 26554 1 88 . 1 1 10 10 PRO HG2 H 1 2.065 0.009 . 1 . 393 . . 10 PRO HG2 . 26554 1 89 . 1 1 10 10 PRO HG3 H 1 2.022 0.012 . 1 . 388 . . 10 PRO HG3 . 26554 1 90 . 1 1 10 10 PRO CA C 13 64.101 0.08 . 1 . 387 . . 10 PRO CA . 26554 1 91 . 1 1 10 10 PRO CB C 13 31.871 0.077 . 1 . 390 . . 10 PRO CB . 26554 1 92 . 1 1 10 10 PRO CG C 13 27.593 0.044 . 1 . 392 . . 10 PRO CG . 26554 1 93 . 1 1 11 11 GLY H H 1 8.106 0.005 . 1 . 53 . . 11 GLY H . 26554 1 94 . 1 1 11 11 GLY HA2 H 1 3.966 0.002 . 1 . 257 . . 11 GLY HA2 . 26554 1 95 . 1 1 11 11 GLY HA3 H 1 3.966 0.002 . 1 . 250 . . 11 GLY HA3 . 26554 1 96 . 1 1 11 11 GLY C C 13 174.749 . . 1 . 153 . . 11 GLY C . 26554 1 97 . 1 1 11 11 GLY CA C 13 45.698 0.058 . 1 . 152 . . 11 GLY CA . 26554 1 98 . 1 1 11 11 GLY N N 15 106.930 0.028 . 1 . 54 . . 11 GLY N . 26554 1 99 . 1 1 12 12 MET H H 1 7.933 0.004 . 1 . 37 . . 12 MET H . 26554 1 100 . 1 1 12 12 MET HA H 1 4.468 0.016 . 1 . 314 . . 12 MET HA . 26554 1 101 . 1 1 12 12 MET HB2 H 1 2.117 0.002 . 1 . 311 . . 12 MET HB2 . 26554 1 102 . 1 1 12 12 MET HB3 H 1 2.117 0.002 . 1 . 312 . . 12 MET HB3 . 26554 1 103 . 1 1 12 12 MET HG2 H 1 2.648 0.004 . 1 . 313 . . 12 MET HG2 . 26554 1 104 . 1 1 12 12 MET HG3 H 1 2.570 0.013 . 1 . 379 . . 12 MET HG3 . 26554 1 105 . 1 1 12 12 MET C C 13 176.586 . . 1 . 132 . . 12 MET C . 26554 1 106 . 1 1 12 12 MET CA C 13 56.263 0.034 . 1 . 378 . . 12 MET CA . 26554 1 107 . 1 1 12 12 MET CB C 13 33.120 0.016 . 1 . 133 . . 12 MET CB . 26554 1 108 . 1 1 12 12 MET CG C 13 31.877 . . 1 . 380 . . 12 MET CG . 26554 1 109 . 1 1 12 12 MET N N 15 119.183 0.062 . 1 . 38 . . 12 MET N . 26554 1 110 . 1 1 13 13 GLY H H 1 8.291 0.003 . 1 . 5 . . 13 GLY H . 26554 1 111 . 1 1 13 13 GLY HA2 H 1 3.993 0.0 . 1 . 219 . . 13 GLY HA2 . 26554 1 112 . 1 1 13 13 GLY HA3 H 1 3.993 0.0 . 1 . 306 . . 13 GLY HA3 . 26554 1 113 . 1 1 13 13 GLY C C 13 174.374 . . 1 . 82 . . 13 GLY C . 26554 1 114 . 1 1 13 13 GLY CA C 13 45.758 0.002 . 1 . 81 . . 13 GLY CA . 26554 1 115 . 1 1 13 13 GLY N N 15 108.693 0.023 . 1 . 6 . . 13 GLY N . 26554 1 116 . 1 1 14 14 ARG H H 1 8.009 0.007 . 1 . 35 . . 14 ARG H . 26554 1 117 . 1 1 14 14 ARG HA H 1 4.311 0.002 . 1 . 310 . . 14 ARG HA . 26554 1 118 . 1 1 14 14 ARG HB2 H 1 1.818 0.001 . 1 . 309 . . 14 ARG HB2 . 26554 1 119 . 1 1 14 14 ARG HB3 H 1 1.818 0.001 . 1 . 308 . . 14 ARG HB3 . 26554 1 120 . 1 1 14 14 ARG HD2 H 1 3.216 0.004 . 1 . 333 . . 14 ARG HD2 . 26554 1 121 . 1 1 14 14 ARG HD3 H 1 3.216 0.004 . 1 . 334 . . 14 ARG HD3 . 26554 1 122 . 1 1 14 14 ARG C C 13 177.040 . . 1 . 131 . . 14 ARG C . 26554 1 123 . 1 1 14 14 ARG CA C 13 56.779 0.074 . 1 . 130 . . 14 ARG CA . 26554 1 124 . 1 1 14 14 ARG CB C 13 30.642 0.023 . 1 . 129 . . 14 ARG CB . 26554 1 125 . 1 1 14 14 ARG CD C 13 43.444 0.033 . 1 . 155 . . 14 ARG CD . 26554 1 126 . 1 1 14 14 ARG N N 15 119.416 0.023 . 1 . 36 . . 14 ARG N . 26554 1 127 . 1 1 15 15 LYS H H 1 8.175 0.005 . 1 . 75 . . 15 LYS H . 26554 1 128 . 1 1 15 15 LYS HA H 1 4.287 . . 1 . 284 . . 15 LYS HA . 26554 1 129 . 1 1 15 15 LYS HB2 H 1 1.839 . . 1 . 283 . . 15 LYS HB2 . 26554 1 130 . 1 1 15 15 LYS HB3 H 1 1.839 . . 1 . 282 . . 15 LYS HB3 . 26554 1 131 . 1 1 15 15 LYS HG2 H 1 1.463 . . 1 . 280 . . 15 LYS HG2 . 26554 1 132 . 1 1 15 15 LYS HG3 H 1 1.463 . . 1 . 281 . . 15 LYS HG3 . 26554 1 133 . 1 1 15 15 LYS C C 13 176.712 . . 1 . 176 . . 15 LYS C . 26554 1 134 . 1 1 15 15 LYS CA C 13 56.947 . . 1 . 178 . . 15 LYS CA . 26554 1 135 . 1 1 15 15 LYS CB C 13 32.708 . . 1 . 177 . . 15 LYS CB . 26554 1 136 . 1 1 15 15 LYS N N 15 120.378 0.014 . 1 . 76 . . 15 LYS N . 26554 1 137 . 1 1 16 16 ASP H H 1 8.205 0.002 . 1 . 69 . . 16 ASP H . 26554 1 138 . 1 1 16 16 ASP HA H 1 4.567 0.009 . 1 . 292 . . 16 ASP HA . 26554 1 139 . 1 1 16 16 ASP HB2 H 1 2.752 0.023 . 1 . 290 . . 16 ASP HB2 . 26554 1 140 . 1 1 16 16 ASP HB3 H 1 2.685 0.01 . 1 . 291 . . 16 ASP HB3 . 26554 1 141 . 1 1 16 16 ASP C C 13 176.566 . . 1 . 212 . . 16 ASP C . 26554 1 142 . 1 1 16 16 ASP CA C 13 54.857 0.065 . 1 . 186 . . 16 ASP CA . 26554 1 143 . 1 1 16 16 ASP CB C 13 40.982 0.063 . 1 . 208 . . 16 ASP CB . 26554 1 144 . 1 1 16 16 ASP N N 15 120.268 0.131 . 1 . 70 . . 16 ASP N . 26554 1 145 . 1 1 17 17 GLU H H 1 8.276 0.003 . 1 . 71 . . 17 GLU H . 26554 1 146 . 1 1 17 17 GLU HA H 1 4.249 . . 1 . 315 . . 17 GLU HA . 26554 1 147 . 1 1 17 17 GLU HB2 H 1 2.012 . . 1 . 319 . . 17 GLU HB2 . 26554 1 148 . 1 1 17 17 GLU HB3 H 1 2.012 . . 1 . 318 . . 17 GLU HB3 . 26554 1 149 . 1 1 17 17 GLU HG2 H 1 2.302 . . 1 . 316 . . 17 GLU HG2 . 26554 1 150 . 1 1 17 17 GLU HG3 H 1 2.302 . . 1 . 317 . . 17 GLU HG3 . 26554 1 151 . 1 1 17 17 GLU C C 13 176.687 . . 1 . 205 . . 17 GLU C . 26554 1 152 . 1 1 17 17 GLU CA C 13 57.127 . . 1 . 207 . . 17 GLU CA . 26554 1 153 . 1 1 17 17 GLU CB C 13 29.675 . . 1 . 206 . . 17 GLU CB . 26554 1 154 . 1 1 17 17 GLU N N 15 120.409 0.027 . 1 . 72 . . 17 GLU N . 26554 1 155 . 1 1 18 18 GLN H H 1 8.296 0.002 . 1 . 61 . . 18 GLN H . 26554 1 156 . 1 1 18 18 GLN HA H 1 4.298 . . 1 . 275 . . 18 GLN HA . 26554 1 157 . 1 1 18 18 GLN HB2 H 1 2.078 . . 1 . 278 . . 18 GLN HB2 . 26554 1 158 . 1 1 18 18 GLN HB3 H 1 2.078 . . 1 . 279 . . 18 GLN HB3 . 26554 1 159 . 1 1 18 18 GLN HG2 H 1 2.389 . . 1 . 277 . . 18 GLN HG2 . 26554 1 160 . 1 1 18 18 GLN HG3 H 1 2.389 . . 1 . 276 . . 18 GLN HG3 . 26554 1 161 . 1 1 18 18 GLN C C 13 176.346 . . 1 . 137 . . 18 GLN C . 26554 1 162 . 1 1 18 18 GLN CA C 13 56.337 . . 1 . 204 . . 18 GLN CA . 26554 1 163 . 1 1 18 18 GLN CB C 13 29.080 . . 1 . 203 . . 18 GLN CB . 26554 1 164 . 1 1 18 18 GLN N N 15 119.675 0.047 . 1 . 62 . . 18 GLN N . 26554 1 165 . 1 1 19 19 LYS H H 1 8.097 0.005 . 1 . 55 . . 19 LYS H . 26554 1 166 . 1 1 19 19 LYS HA H 1 4.295 0.008 . 1 . 258 . . 19 LYS HA . 26554 1 167 . 1 1 19 19 LYS HB2 H 1 1.820 0.004 . 1 . 261 . . 19 LYS HB2 . 26554 1 168 . 1 1 19 19 LYS HB3 H 1 1.820 0.004 . 1 . 262 . . 19 LYS HB3 . 26554 1 169 . 1 1 19 19 LYS HG2 H 1 1.481 0.001 . 1 . 259 . . 19 LYS HG2 . 26554 1 170 . 1 1 19 19 LYS HG3 H 1 1.451 0.012 . 1 . 260 . . 19 LYS HG3 . 26554 1 171 . 1 1 19 19 LYS HD2 H 1 1.701 . . 1 . 366 . . 19 LYS HD2 . 26554 1 172 . 1 1 19 19 LYS HD3 H 1 1.701 . . 1 . 367 . . 19 LYS HD3 . 26554 1 173 . 1 1 19 19 LYS C C 13 176.778 . . 1 . 142 . . 19 LYS C . 26554 1 174 . 1 1 19 19 LYS CA C 13 56.739 0.064 . 1 . 202 . . 19 LYS CA . 26554 1 175 . 1 1 19 19 LYS CB C 13 32.876 . . 1 . 141 . . 19 LYS CB . 26554 1 176 . 1 1 19 19 LYS CG C 13 25.008 0.014 . 1 . 365 . . 19 LYS CG . 26554 1 177 . 1 1 19 19 LYS N N 15 121.706 0.216 . 1 . 56 . . 19 LYS N . 26554 1 178 . 1 1 20 20 GLN H H 1 8.338 0.006 . 1 . 182 . . 20 GLN H . 26554 1 179 . 1 1 20 20 GLN HA H 1 4.390 0.011 . 1 . 274 . . 20 GLN HA . 26554 1 180 . 1 1 20 20 GLN HB2 H 1 2.095 0.0 . 1 . 376 . . 20 GLN HB2 . 26554 1 181 . 1 1 20 20 GLN HB3 H 1 2.035 0.0 . 1 . 271 . . 20 GLN HB3 . 26554 1 182 . 1 1 20 20 GLN HG2 H 1 2.387 0.004 . 1 . 272 . . 20 GLN HG2 . 26554 1 183 . 1 1 20 20 GLN HG3 H 1 2.387 0.004 . 1 . 273 . . 20 GLN HG3 . 26554 1 184 . 1 1 20 20 GLN C C 13 176.316 . . 1 . 199 . . 20 GLN C . 26554 1 185 . 1 1 20 20 GLN CA C 13 56.332 0.061 . 1 . 200 . . 20 GLN CA . 26554 1 186 . 1 1 20 20 GLN CB C 13 29.552 0.0 . 1 . 201 . . 20 GLN CB . 26554 1 187 . 1 1 20 20 GLN CG C 13 35.547 . . 1 . 377 . . 20 GLN CG . 26554 1 188 . 1 1 20 20 GLN N N 15 120.582 0.111 . 1 . 183 . . 20 GLN N . 26554 1 189 . 1 1 21 21 THR H H 1 8.098 0.005 . 1 . 13 . . 21 THR H . 26554 1 190 . 1 1 21 21 THR HA H 1 4.395 0.001 . 1 . 222 . . 21 THR HA . 26554 1 191 . 1 1 21 21 THR HB H 1 4.299 0.001 . 1 . 358 . . 21 THR HB . 26554 1 192 . 1 1 21 21 THR HG21 H 1 1.219 0.003 . 1 . 223 . . 21 THR HG21 . 26554 1 193 . 1 1 21 21 THR HG22 H 1 1.219 0.003 . 1 . 223 . . 21 THR HG22 . 26554 1 194 . 1 1 21 21 THR HG23 H 1 1.219 0.003 . 1 . 223 . . 21 THR HG23 . 26554 1 195 . 1 1 21 21 THR C C 13 174.643 . . 1 . 90 . . 21 THR C . 26554 1 196 . 1 1 21 21 THR CA C 13 62.072 0.058 . 1 . 91 . . 21 THR CA . 26554 1 197 . 1 1 21 21 THR CB C 13 69.924 0.091 . 1 . 92 . . 21 THR CB . 26554 1 198 . 1 1 21 21 THR CG2 C 13 21.589 0.042 . 1 . 359 . . 21 THR CG2 . 26554 1 199 . 1 1 21 21 THR N N 15 114.363 0.018 . 1 . 14 . . 21 THR N . 26554 1 200 . 1 1 22 22 SER H H 1 8.280 0.003 . 1 . 19 . . 22 SER H . 26554 1 201 . 1 1 22 22 SER HA H 1 4.497 0.013 . 1 . 235 . . 22 SER HA . 26554 1 202 . 1 1 22 22 SER HB2 H 1 3.924 0.007 . 1 . 335 . . 22 SER HB2 . 26554 1 203 . 1 1 22 22 SER HB3 H 1 3.924 0.007 . 1 . 234 . . 22 SER HB3 . 26554 1 204 . 1 1 22 22 SER C C 13 174.439 . . 1 . 105 . . 22 SER C . 26554 1 205 . 1 1 22 22 SER CA C 13 58.513 0.029 . 1 . 103 . . 22 SER CA . 26554 1 206 . 1 1 22 22 SER CB C 13 64.063 0.055 . 1 . 104 . . 22 SER CB . 26554 1 207 . 1 1 22 22 SER N N 15 117.603 0.009 . 1 . 20 . . 22 SER N . 26554 1 208 . 1 1 23 23 ALA H H 1 8.338 0.005 . 1 . 51 . . 23 ALA H . 26554 1 209 . 1 1 23 23 ALA HA H 1 4.396 0.006 . 1 . 251 . . 23 ALA HA . 26554 1 210 . 1 1 23 23 ALA HB1 H 1 1.445 0.005 . 1 . 252 . . 23 ALA HB1 . 26554 1 211 . 1 1 23 23 ALA HB2 H 1 1.445 0.005 . 1 . 252 . . 23 ALA HB2 . 26554 1 212 . 1 1 23 23 ALA HB3 H 1 1.445 0.005 . 1 . 252 . . 23 ALA HB3 . 26554 1 213 . 1 1 23 23 ALA C C 13 177.893 . . 1 . 149 . . 23 ALA C . 26554 1 214 . 1 1 23 23 ALA CA C 13 53.032 0.005 . 1 . 151 . . 23 ALA CA . 26554 1 215 . 1 1 23 23 ALA CB C 13 19.311 0.006 . 1 . 150 . . 23 ALA CB . 26554 1 216 . 1 1 23 23 ALA N N 15 125.654 0.032 . 1 . 52 . . 23 ALA N . 26554 1 217 . 1 1 24 24 THR H H 1 8.026 0.004 . 1 . 11 . . 24 THR H . 26554 1 218 . 1 1 24 24 THR HA H 1 4.391 0.004 . 1 . 221 . . 24 THR HA . 26554 1 219 . 1 1 24 24 THR HG21 H 1 1.216 . . 1 . 220 . . 24 THR HG1 . 26554 1 220 . 1 1 24 24 THR HG22 H 1 1.216 . . 1 . 220 . . 24 THR HG1 . 26554 1 221 . 1 1 24 24 THR HG23 H 1 1.216 . . 1 . 220 . . 24 THR HG1 . 26554 1 222 . 1 1 24 24 THR C C 13 174.519 . . 1 . 87 . . 24 THR C . 26554 1 223 . 1 1 24 24 THR CA C 13 61.859 0.031 . 1 . 88 . . 24 THR CA . 26554 1 224 . 1 1 24 24 THR CB C 13 69.777 . . 1 . 89 . . 24 THR CB . 26554 1 225 . 1 1 24 24 THR N N 15 111.509 0.038 . 1 . 12 . . 24 THR N . 26554 1 226 . 1 1 25 25 SER H H 1 8.118 0.008 . 1 . 21 . . 25 SER H . 26554 1 227 . 1 1 25 25 SER HA H 1 4.578 . . 1 . 237 . . 25 SER HA . 26554 1 228 . 1 1 25 25 SER HB2 H 1 3.888 0.002 . 1 . 236 . . 25 SER HB2 . 26554 1 229 . 1 1 25 25 SER HB3 H 1 3.888 0.002 . 1 . 336 . . 25 SER HB3 . 26554 1 230 . 1 1 25 25 SER C C 13 174.008 . . 1 . 106 . . 25 SER C . 26554 1 231 . 1 1 25 25 SER CA C 13 58.372 . . 1 . 107 . . 25 SER CA . 26554 1 232 . 1 1 25 25 SER CB C 13 64.137 0.032 . 1 . 108 . . 25 SER CB . 26554 1 233 . 1 1 25 25 SER N N 15 117.661 0.027 . 1 . 22 . . 25 SER N . 26554 1 234 . 1 1 26 26 THR H H 1 8.154 0.004 . 1 . 17 . . 26 THR H . 26554 1 235 . 1 1 26 26 THR HA H 1 4.654 0.016 . 1 . 233 . . 26 THR HA . 26554 1 236 . 1 1 26 26 THR HB H 1 4.188 0.004 . 1 . 232 . . 26 THR HB . 26554 1 237 . 1 1 26 26 THR HG21 H 1 1.231 0.005 . 1 . 231 . . 26 THR HG21 . 26554 1 238 . 1 1 26 26 THR HG22 H 1 1.231 0.005 . 1 . 231 . . 26 THR HG22 . 26554 1 239 . 1 1 26 26 THR HG23 H 1 1.231 0.005 . 1 . 231 . . 26 THR HG23 . 26554 1 240 . 1 1 26 26 THR C C 13 172.983 . . 1 . 101 . . 26 THR C . 26554 1 241 . 1 1 26 26 THR CA C 13 59.780 0.077 . 1 . 99 . . 26 THR CA . 26554 1 242 . 1 1 26 26 THR CB C 13 69.795 0.066 . 1 . 100 . . 26 THR CB . 26554 1 243 . 1 1 26 26 THR CG2 C 13 21.436 0.078 . 1 . 364 . . 26 THR CG2 . 26554 1 244 . 1 1 26 26 THR N N 15 116.777 0.062 . 1 . 18 . . 26 THR N . 26554 1 245 . 1 1 27 27 PRO HA H 1 4.452 0.005 . 1 . 395 . . 27 PRO HA . 26554 1 246 . 1 1 27 27 PRO HB2 H 1 2.336 0.008 . 1 . 397 . . 27 PRO HB2 . 26554 1 247 . 1 1 27 27 PRO HB3 H 1 2.336 0.008 . 1 . 396 . . 27 PRO HB3 . 26554 1 248 . 1 1 27 27 PRO HG2 H 1 2.061 0.006 . 1 . 398 . . 27 PRO HG2 . 26554 1 249 . 1 1 27 27 PRO HG3 H 1 2.019 0.012 . 1 . 399 . . 27 PRO HG3 . 26554 1 250 . 1 1 27 27 PRO CA C 13 63.957 0.128 . 1 . 394 . . 27 PRO CA . 26554 1 251 . 1 1 27 27 PRO CB C 13 32.012 0.059 . 1 . 400 . . 27 PRO CB . 26554 1 252 . 1 1 27 27 PRO CG C 13 27.606 0.089 . 1 . 401 . . 27 PRO CG . 26554 1 253 . 1 1 28 28 GLY H H 1 8.440 0.002 . 1 . 3 . . 28 GLY H . 26554 1 254 . 1 1 28 28 GLY HA2 H 1 3.983 0.001 . 1 . 304 . . 28 GLY HA2 . 26554 1 255 . 1 1 28 28 GLY HA3 H 1 3.983 0.001 . 1 . 216 . . 28 GLY HA3 . 26554 1 256 . 1 1 28 28 GLY C C 13 174.510 . . 1 . 159 . . 28 GLY C . 26554 1 257 . 1 1 28 28 GLY CA C 13 45.557 0.022 . 1 . 156 . . 28 GLY CA . 26554 1 258 . 1 1 28 28 GLY N N 15 108.790 0.051 . 1 . 4 . . 28 GLY N . 26554 1 259 . 1 1 29 29 GLN H H 1 8.136 0.007 . 1 . 33 . . 29 GLN H . 26554 1 260 . 1 1 29 29 GLN HA H 1 4.373 . . 1 . 302 . . 29 GLN HA . 26554 1 261 . 1 1 29 29 GLN HB2 H 1 2.046 . . 1 . 298 . . 29 GLN HB2 . 26554 1 262 . 1 1 29 29 GLN HB3 H 1 2.046 . . 1 . 299 . . 29 GLN HB3 . 26554 1 263 . 1 1 29 29 GLN HG2 H 1 2.357 . . 1 . 301 . . 29 GLN HG2 . 26554 1 264 . 1 1 29 29 GLN HG3 H 1 2.357 . . 1 . 300 . . 29 GLN HG3 . 26554 1 265 . 1 1 29 29 GLN C C 13 176.775 . . 1 . 126 . . 29 GLN C . 26554 1 266 . 1 1 29 29 GLN CA C 13 56.347 . . 1 . 125 . . 29 GLN CA . 26554 1 267 . 1 1 29 29 GLN CB C 13 29.287 . . 1 . 124 . . 29 GLN CB . 26554 1 268 . 1 1 29 29 GLN N N 15 119.056 0.111 . 1 . 34 . . 29 GLN N . 26554 1 269 . 1 1 30 30 GLY H H 1 8.477 0.002 . 1 . 9 . . 30 GLY H . 26554 1 270 . 1 1 30 30 GLY HA2 H 1 3.992 0.0 . 1 . 303 . . 30 GLY HA2 . 26554 1 271 . 1 1 30 30 GLY HA3 H 1 3.992 0.0 . 1 . 217 . . 30 GLY HA3 . 26554 1 272 . 1 1 30 30 GLY C C 13 174.546 . . 1 . 86 . . 30 GLY C . 26554 1 273 . 1 1 30 30 GLY CA C 13 45.718 0.006 . 1 . 85 . . 30 GLY CA . 26554 1 274 . 1 1 30 30 GLY N N 15 109.657 0.044 . 1 . 10 . . 30 GLY N . 26554 1 275 . 1 1 31 31 GLN H H 1 8.233 0.007 . 1 . 31 . . 31 GLN H . 26554 1 276 . 1 1 31 31 GLN HA H 1 4.320 . . 1 . 297 . . 31 GLN HA . 26554 1 277 . 1 1 31 31 GLN HB2 H 1 2.056 . . 1 . 293 . . 31 GLN HB2 . 26554 1 278 . 1 1 31 31 GLN HB3 H 1 2.056 . . 1 . 294 . . 31 GLN HB3 . 26554 1 279 . 1 1 31 31 GLN HG2 H 1 2.363 . . 1 . 295 . . 31 GLN HG2 . 26554 1 280 . 1 1 31 31 GLN HG3 H 1 2.363 . . 1 . 296 . . 31 GLN HG3 . 26554 1 281 . 1 1 31 31 GLN C C 13 176.623 . . 1 . 121 . . 31 GLN C . 26554 1 282 . 1 1 31 31 GLN CA C 13 56.531 0.017 . 1 . 122 . . 31 GLN CA . 26554 1 283 . 1 1 31 31 GLN CB C 13 29.197 . . 1 . 123 . . 31 GLN CB . 26554 1 284 . 1 1 31 31 GLN N N 15 119.183 0.11 . 1 . 32 . . 31 GLN N . 26554 1 285 . 1 1 32 32 GLN H H 1 8.454 0.002 . 1 . 59 . . 32 GLN H . 26554 1 286 . 1 1 32 32 GLN HA H 1 4.316 0.007 . 1 . 263 . . 32 GLN HA . 26554 1 287 . 1 1 32 32 GLN HB2 H 1 2.151 0.0 . 1 . 374 . . 32 GLN HB2 . 26554 1 288 . 1 1 32 32 GLN HB3 H 1 2.038 0.001 . 1 . 266 . . 32 GLN HB3 . 26554 1 289 . 1 1 32 32 GLN HG2 H 1 2.387 0.003 . 1 . 264 . . 32 GLN HG2 . 26554 1 290 . 1 1 32 32 GLN HG3 H 1 2.387 0.003 . 1 . 265 . . 32 GLN HG3 . 26554 1 291 . 1 1 32 32 GLN C C 13 176.376 . . 1 . 175 . . 32 GLN C . 26554 1 292 . 1 1 32 32 GLN CA C 13 56.664 0.004 . 1 . 174 . . 32 GLN CA . 26554 1 293 . 1 1 32 32 GLN CB C 13 29.264 0.018 . 1 . 173 . . 32 GLN CB . 26554 1 294 . 1 1 32 32 GLN CG C 13 35.828 . . 1 . 375 . . 32 GLN CG . 26554 1 295 . 1 1 32 32 GLN N N 15 120.114 0.077 . 1 . 60 . . 32 GLN N . 26554 1 296 . 1 1 33 33 GLN H H 1 8.371 0.001 . 1 . 80 . . 33 GLN H . 26554 1 297 . 1 1 33 33 GLN HA H 1 4.318 0.001 . 1 . 267 . . 33 GLN HA . 26554 1 298 . 1 1 33 33 GLN HB2 H 1 2.151 0.0 . 1 . 373 . . 33 GLN HB2 . 26554 1 299 . 1 1 33 33 GLN HB3 H 1 2.037 0.0 . 1 . 270 . . 33 GLN HB3 . 26554 1 300 . 1 1 33 33 GLN HG2 H 1 2.385 0.0 . 1 . 268 . . 33 GLN HG2 . 26554 1 301 . 1 1 33 33 GLN HG3 H 1 2.385 0.0 . 1 . 269 . . 33 GLN HG3 . 26554 1 302 . 1 1 33 33 GLN C C 13 176.336 . . 1 . 170 . . 33 GLN C . 26554 1 303 . 1 1 33 33 GLN CA C 13 56.652 0.03 . 1 . 171 . . 33 GLN CA . 26554 1 304 . 1 1 33 33 GLN CB C 13 29.086 0.065 . 1 . 172 . . 33 GLN CB . 26554 1 305 . 1 1 33 33 GLN N N 15 120.159 0.072 . 1 . 77 . . 33 GLN N . 26554 1 306 . 1 1 34 34 LYS H H 1 8.204 0.001 . 1 . 179 . . 34 LYS H . 26554 1 307 . 1 1 34 34 LYS HA H 1 4.293 . . 1 . 289 . . 34 LYS HA . 26554 1 308 . 1 1 34 34 LYS HB2 H 1 1.853 . . 1 . 287 . . 34 LYS HB2 . 26554 1 309 . 1 1 34 34 LYS HB3 H 1 1.853 . . 1 . 288 . . 34 LYS HB3 . 26554 1 310 . 1 1 34 34 LYS HG2 H 1 1.468 . . 1 . 286 . . 34 LYS HG2 . 26554 1 311 . 1 1 34 34 LYS HG3 H 1 1.468 . . 1 . 285 . . 34 LYS HG3 . 26554 1 312 . 1 1 34 34 LYS C C 13 177.622 . . 1 . 181 . . 34 LYS C . 26554 1 313 . 1 1 34 34 LYS CA C 13 56.992 . . 1 . 185 . . 34 LYS CA . 26554 1 314 . 1 1 34 34 LYS CB C 13 32.678 . . 1 . 184 . . 34 LYS CB . 26554 1 315 . 1 1 34 34 LYS N N 15 120.501 0.088 . 1 . 180 . . 34 LYS N . 26554 1 316 . 1 1 35 35 GLY H H 1 8.324 0.004 . 1 . 7 . . 35 GLY H . 26554 1 317 . 1 1 35 35 GLY HA2 H 1 4.020 0.001 . 1 . 305 . . 35 GLY HA2 . 26554 1 318 . 1 1 35 35 GLY HA3 H 1 4.020 0.001 . 1 . 218 . . 35 GLY HA3 . 26554 1 319 . 1 1 35 35 GLY C C 13 175.951 . . 1 . 83 . . 35 GLY C . 26554 1 320 . 1 1 35 35 GLY CA C 13 46.331 0.001 . 1 . 84 . . 35 GLY CA . 26554 1 321 . 1 1 35 35 GLY N N 15 108.868 0.069 . 1 . 8 . . 35 GLY N . 26554 1 322 . 1 1 36 36 MET H H 1 8.254 0.005 . 1 . 73 . . 36 MET H . 26554 1 323 . 1 1 36 36 MET HA H 1 4.242 0.002 . 1 . 337 . . 36 MET HA . 26554 1 324 . 1 1 36 36 MET C C 13 177.923 . . 1 . 187 . . 36 MET C . 26554 1 325 . 1 1 36 36 MET CA C 13 58.513 0.014 . 1 . 188 . . 36 MET CA . 26554 1 326 . 1 1 36 36 MET CB C 13 32.440 . . 1 . 209 . . 36 MET CB . 26554 1 327 . 1 1 36 36 MET N N 15 120.350 0.015 . 1 . 74 . . 36 MET N . 26554 1 328 . 1 1 37 37 MET H H 1 8.244 0.003 . 1 . 65 . . 37 MET H . 26554 1 329 . 1 1 37 37 MET HA H 1 4.291 0.003 . 1 . 230 . . 37 MET HA . 26554 1 330 . 1 1 37 37 MET HB2 H 1 2.166 0.012 . 1 . 229 . . 37 MET HB2 . 26554 1 331 . 1 1 37 37 MET HB3 H 1 2.166 0.012 . 1 . 338 . . 37 MET HB3 . 26554 1 332 . 1 1 37 37 MET C C 13 178.177 . . 1 . 102 . . 37 MET C . 26554 1 333 . 1 1 37 37 MET CA C 13 58.419 0.216 . 1 . 210 . . 37 MET CA . 26554 1 334 . 1 1 37 37 MET CB C 13 31.424 0.017 . 1 . 211 . . 37 MET CB . 26554 1 335 . 1 1 37 37 MET N N 15 116.882 0.085 . 1 . 66 . . 37 MET N . 26554 1 336 . 1 1 38 38 GLU H H 1 7.893 0.001 . 1 . 165 . . 38 GLU H . 26554 1 337 . 1 1 38 38 GLU HA H 1 3.947 . . 1 . 323 . . 38 GLU HA . 26554 1 338 . 1 1 38 38 GLU C C 13 178.509 . . 1 . 167 . . 38 GLU C . 26554 1 339 . 1 1 38 38 GLU CA C 13 59.364 . . 1 . 168 . . 38 GLU CA . 26554 1 340 . 1 1 38 38 GLU CB C 13 28.781 . . 1 . 169 . . 38 GLU CB . 26554 1 341 . 1 1 38 38 GLU N N 15 118.232 0.046 . 1 . 166 . . 38 GLU N . 26554 1 342 . 1 1 39 39 LYS H H 1 7.606 0.006 . 1 . 27 . . 39 LYS H . 26554 1 343 . 1 1 39 39 LYS HA H 1 4.016 . . 1 . 249 . . 39 LYS HA . 26554 1 344 . 1 1 39 39 LYS C C 13 171.103 . . 1 . 117 . . 39 LYS C . 26554 1 345 . 1 1 39 39 LYS CA C 13 59.124 . . 1 . 164 . . 39 LYS CA . 26554 1 346 . 1 1 39 39 LYS CB C 13 32.235 . . 1 . 163 . . 39 LYS CB . 26554 1 347 . 1 1 39 39 LYS N N 15 118.146 0.027 . 1 . 28 . . 39 LYS N . 26554 1 348 . 1 1 40 40 ILE H H 1 7.919 0.002 . 1 . 57 . . 40 ILE H . 26554 1 349 . 1 1 40 40 ILE HA H 1 3.865 0.039 . 1 . 325 . . 40 ILE HA . 26554 1 350 . 1 1 40 40 ILE HB H 1 1.970 0.001 . 1 . 383 . . 40 ILE HB . 26554 1 351 . 1 1 40 40 ILE HG21 H 1 0.926 0.001 . 1 . 384 . . 40 ILE HG21 . 26554 1 352 . 1 1 40 40 ILE HG22 H 1 0.926 0.001 . 1 . 384 . . 40 ILE HG22 . 26554 1 353 . 1 1 40 40 ILE HG23 H 1 0.926 0.001 . 1 . 384 . . 40 ILE HG23 . 26554 1 354 . 1 1 40 40 ILE C C 13 177.823 . . 1 . 162 . . 40 ILE C . 26554 1 355 . 1 1 40 40 ILE CA C 13 65.344 0.041 . 1 . 161 . . 40 ILE CA . 26554 1 356 . 1 1 40 40 ILE CB C 13 37.857 0.038 . 1 . 160 . . 40 ILE CB . 26554 1 357 . 1 1 40 40 ILE CG2 C 13 18.172 . . 1 . 385 . . 40 ILE CG2 . 26554 1 358 . 1 1 40 40 ILE N N 15 118.230 0.033 . 1 . 58 . . 40 ILE N . 26554 1 359 . 1 1 41 41 LYS H H 1 8.207 0.001 . 1 . 67 . . 41 LYS H . 26554 1 360 . 1 1 41 41 LYS HA H 1 4.199 . . 1 . 238 . . 41 LYS HA . 26554 1 361 . 1 1 41 41 LYS HB2 H 1 1.835 . . 1 . 341 . . 41 LYS HB2 . 26554 1 362 . 1 1 41 41 LYS HB3 H 1 1.835 . . 1 . 340 . . 41 LYS HB3 . 26554 1 363 . 1 1 41 41 LYS HG2 H 1 1.222 . . 1 . 239 . . 41 LYS HG2 . 26554 1 364 . 1 1 41 41 LYS HG3 H 1 1.222 . . 1 . 339 . . 41 LYS HG3 . 26554 1 365 . 1 1 41 41 LYS C C 13 170.927 . . 1 . 115 . . 41 LYS C . 26554 1 366 . 1 1 41 41 LYS CA C 13 60.210 . . 1 . 113 . . 41 LYS CA . 26554 1 367 . 1 1 41 41 LYS CB C 13 32.367 . . 1 . 114 . . 41 LYS CB . 26554 1 368 . 1 1 41 41 LYS N N 15 118.035 0.011 . 1 . 68 . . 41 LYS N . 26554 1 369 . 1 1 42 42 GLU H H 1 7.610 0.003 . 1 . 78 . . 42 GLU H . 26554 1 370 . 1 1 42 42 GLU HA H 1 4.077 0.01 . 1 . 228 . . 42 GLU HA . 26554 1 371 . 1 1 42 42 GLU HB2 H 1 2.145 0.013 . 1 . 227 . . 42 GLU HB2 . 26554 1 372 . 1 1 42 42 GLU HB3 H 1 2.145 0.013 . 1 . 342 . . 42 GLU HB3 . 26554 1 373 . 1 1 42 42 GLU HG2 H 1 2.392 0.003 . 1 . 361 . . 42 GLU HG2 . 26554 1 374 . 1 1 42 42 GLU HG3 H 1 2.392 0.003 . 1 . 362 . . 42 GLU HG3 . 26554 1 375 . 1 1 42 42 GLU C C 13 177.293 . . 1 . 96 . . 42 GLU C . 26554 1 376 . 1 1 42 42 GLU CA C 13 58.184 0.07 . 1 . 97 . . 42 GLU CA . 26554 1 377 . 1 1 42 42 GLU CB C 13 29.361 0.091 . 1 . 98 . . 42 GLU CB . 26554 1 378 . 1 1 42 42 GLU CG C 13 34.071 . . 1 . 363 . . 42 GLU CG . 26554 1 379 . 1 1 42 42 GLU N N 15 115.161 0.038 . 1 . 79 . . 42 GLU N . 26554 1 380 . 1 1 43 43 LYS H H 1 7.685 0.004 . 1 . 23 . . 43 LYS H . 26554 1 381 . 1 1 43 43 LYS HA H 1 4.338 . . 1 . 343 . . 43 LYS HA . 26554 1 382 . 1 1 43 43 LYS HB2 H 1 1.972 . . 1 . 345 . . 43 LYS HB2 . 26554 1 383 . 1 1 43 43 LYS HB3 H 1 1.972 . . 1 . 344 . . 43 LYS HB3 . 26554 1 384 . 1 1 43 43 LYS HG2 H 1 1.636 . . 1 . 347 . . 43 LYS HG2 . 26554 1 385 . 1 1 43 43 LYS HG3 H 1 1.636 . . 1 . 346 . . 43 LYS HG3 . 26554 1 386 . 1 1 43 43 LYS C C 13 176.354 . . 1 . 111 . . 43 LYS C . 26554 1 387 . 1 1 43 43 LYS CA C 13 55.732 . . 1 . 110 . . 43 LYS CA . 26554 1 388 . 1 1 43 43 LYS CB C 13 33.193 . . 1 . 109 . . 43 LYS CB . 26554 1 389 . 1 1 43 43 LYS N N 15 117.238 0.063 . 1 . 24 . . 43 LYS N . 26554 1 390 . 1 1 44 44 LEU H H 1 7.303 0.001 . 1 . 41 . . 44 LEU H . 26554 1 391 . 1 1 44 44 LEU HA H 1 4.422 0.008 . 1 . 243 . . 44 LEU HA . 26554 1 392 . 1 1 44 44 LEU HB2 H 1 1.808 0.008 . 1 . 348 . . 44 LEU HB2 . 26554 1 393 . 1 1 44 44 LEU HB3 H 1 1.804 0.008 . 1 . 381 . . 44 LEU HB3 . 26554 1 394 . 1 1 44 44 LEU C C 13 175.708 . . 1 . 136 . . 44 LEU C . 26554 1 395 . 1 1 44 44 LEU CA C 13 53.714 0.048 . 1 . 135 . . 44 LEU CA . 26554 1 396 . 1 1 44 44 LEU CB C 13 40.679 0.003 . 1 . 134 . . 44 LEU CB . 26554 1 397 . 1 1 44 44 LEU N N 15 119.309 0.026 . 1 . 42 . . 44 LEU N . 26554 1 398 . 1 1 45 45 PRO HA H 1 4.455 0.004 . 1 . 402 . . 45 PRO HA . 26554 1 399 . 1 1 45 45 PRO HB2 H 1 2.350 0.011 . 1 . 405 . . 45 PRO HB2 . 26554 1 400 . 1 1 45 45 PRO HB3 H 1 2.350 0.011 . 1 . 404 . . 45 PRO HB3 . 26554 1 401 . 1 1 45 45 PRO HG2 H 1 2.065 0.01 . 1 . 406 . . 45 PRO HG2 . 26554 1 402 . 1 1 45 45 PRO HG3 H 1 2.024 0.012 . 1 . 407 . . 45 PRO HG3 . 26554 1 403 . 1 1 45 45 PRO CA C 13 64.114 0.072 . 1 . 403 . . 45 PRO CA . 26554 1 404 . 1 1 45 45 PRO CB C 13 31.909 0.07 . 1 . 409 . . 45 PRO CB . 26554 1 405 . 1 1 45 45 PRO CG C 13 27.637 0.027 . 1 . 408 . . 45 PRO CG . 26554 1 406 . 1 1 46 46 GLY H H 1 8.240 0.003 . 1 . 1 . . 46 GLY H . 26554 1 407 . 1 1 46 46 GLY HA2 H 1 3.960 0.001 . 1 . 307 . . 46 GLY HA2 . 26554 1 408 . 1 1 46 46 GLY HA3 H 1 3.960 0.001 . 1 . 215 . . 46 GLY HA3 . 26554 1 409 . 1 1 46 46 GLY C C 13 173.948 . . 1 . 158 . . 46 GLY C . 26554 1 410 . 1 1 46 46 GLY CA C 13 45.305 0.057 . 1 . 157 . . 46 GLY CA . 26554 1 411 . 1 1 46 46 GLY N N 15 107.025 0.065 . 1 . 2 . . 46 GLY N . 26554 1 412 . 1 1 47 47 ALA H H 1 7.846 0.004 . 1 . 49 . . 47 ALA H . 26554 1 413 . 1 1 47 47 ALA HA H 1 4.333 0.005 . 1 . 253 . . 47 ALA HA . 26554 1 414 . 1 1 47 47 ALA HB1 H 1 1.369 0.001 . 1 . 254 . . 47 ALA HB1 . 26554 1 415 . 1 1 47 47 ALA HB2 H 1 1.369 0.001 . 1 . 254 . . 47 ALA HB2 . 26554 1 416 . 1 1 47 47 ALA HB3 H 1 1.369 0.001 . 1 . 254 . . 47 ALA HB3 . 26554 1 417 . 1 1 47 47 ALA C C 13 176.860 . . 1 . 148 . . 47 ALA C . 26554 1 418 . 1 1 47 47 ALA CA C 13 52.511 0.036 . 1 . 147 . . 47 ALA CA . 26554 1 419 . 1 1 47 47 ALA CB C 13 19.446 . . 1 . 146 . . 47 ALA CB . 26554 1 420 . 1 1 47 47 ALA N N 15 123.134 0.016 . 1 . 50 . . 47 ALA N . 26554 1 421 . 1 1 48 48 HIS H H 1 7.915 0.005 . 1 . 47 . . 48 HIS H . 26554 1 422 . 1 1 48 48 HIS HA H 1 4.484 0.01 . 1 . 256 . . 48 HIS HA . 26554 1 423 . 1 1 48 48 HIS HB2 H 1 3.184 . . 1 . 255 . . 48 HIS HB2 . 26554 1 424 . 1 1 48 48 HIS C C 13 178.657 . . 1 . 143 . . 48 HIS C . 26554 1 425 . 1 1 48 48 HIS CA C 13 56.711 0.039 . 1 . 144 . . 48 HIS CA . 26554 1 426 . 1 1 48 48 HIS CB C 13 29.866 . . 1 . 145 . . 48 HIS CB . 26554 1 427 . 1 1 48 48 HIS N N 15 122.211 0.019 . 1 . 48 . . 48 HIS N . 26554 1 stop_ save_