data_26889 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26889 _Entry.Title ; 1H, 13C assignments for bovine insulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-08 _Entry.Accession_date 2016-09-08 _Entry.Last_release_date 2016-09-14 _Entry.Original_release_date 2016-09-14 _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 Sergey Efimov . V. . . 26889 2 Yuriy Zgadzay . O. . . 26889 3 Vladimir Klochkov . V. . . 26889 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of NMR Spectroscopy, Kazan Federal University' . 26889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26889 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 26889 '1H chemical shifts' 359 26889 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-14 . original BMRB . 26889 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26889 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Spectroscopic and Structural Data for Bovine Insulin obtained by NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Yuriy Zgadzay . . . . 26889 1 2 Sergey Efimov . . . . 26889 1 3 Vladimir Klochkov . . . . 26889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26889 _Assembly.ID 1 _Assembly.Name 'bound chains A and B' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5734 _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 'bovine insulin, chain A and B' 1 $bovine_insulin A . yes native yes no . . . 26889 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 28 28 SG . 'chain A' 7 CYS SG . 'chain B' 7 CYS SG 26889 1 2 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 40 40 SG . 'chain A' 20 CYS SG . 'chain B' 19 CYS SG 26889 1 3 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 11 11 SG . 'chain A' 6 CYS SG . 'chain A' 11 CYS SG 26889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bovine_insulin _Entity.Sf_category entity _Entity.Sf_framecode bovine_insulin _Entity.Entry_ID 26889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bovine_insulin _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 ; GIVEQCCASVCSLYQLENYC NFVNQHLCGSHLVEALYLVC GERGFFYTPKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Chain A: GIVEQCCASVCSLYQLENYCN Chain B: FVNQHLCGSHLVEALYLVCGERGFFYTPKA ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'glucose metabolism' 26889 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 26889 1 2 . ILE . 26889 1 3 . VAL . 26889 1 4 . GLU . 26889 1 5 . GLN . 26889 1 6 . CYS . 26889 1 7 . CYS . 26889 1 8 . ALA . 26889 1 9 . SER . 26889 1 10 . VAL . 26889 1 11 . CYS . 26889 1 12 . SER . 26889 1 13 . LEU . 26889 1 14 . TYR . 26889 1 15 . GLN . 26889 1 16 . LEU . 26889 1 17 . GLU . 26889 1 18 . ASN . 26889 1 19 . TYR . 26889 1 20 . CYS . 26889 1 21 . ASN . 26889 1 22 . PHE . 26889 1 23 . VAL . 26889 1 24 . ASN . 26889 1 25 . GLN . 26889 1 26 . HIS . 26889 1 27 . LEU . 26889 1 28 . CYS . 26889 1 29 . GLY . 26889 1 30 . SER . 26889 1 31 . HIS . 26889 1 32 . LEU . 26889 1 33 . VAL . 26889 1 34 . GLU . 26889 1 35 . ALA . 26889 1 36 . LEU . 26889 1 37 . TYR . 26889 1 38 . LEU . 26889 1 39 . VAL . 26889 1 40 . CYS . 26889 1 41 . GLY . 26889 1 42 . GLU . 26889 1 43 . ARG . 26889 1 44 . GLY . 26889 1 45 . PHE . 26889 1 46 . PHE . 26889 1 47 . TYR . 26889 1 48 . THR . 26889 1 49 . PRO . 26889 1 50 . LYS . 26889 1 51 . ALA . 26889 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 . GLY 1 1 26889 1 . ILE 2 2 26889 1 . VAL 3 3 26889 1 . GLU 4 4 26889 1 . GLN 5 5 26889 1 . CYS 6 6 26889 1 . CYS 7 7 26889 1 . ALA 8 8 26889 1 . SER 9 9 26889 1 . VAL 10 10 26889 1 . CYS 11 11 26889 1 . SER 12 12 26889 1 . LEU 13 13 26889 1 . TYR 14 14 26889 1 . GLN 15 15 26889 1 . LEU 16 16 26889 1 . GLU 17 17 26889 1 . ASN 18 18 26889 1 . TYR 19 19 26889 1 . CYS 20 20 26889 1 . ASN 21 21 26889 1 . PHE 22 22 26889 1 . VAL 23 23 26889 1 . ASN 24 24 26889 1 . GLN 25 25 26889 1 . HIS 26 26 26889 1 . LEU 27 27 26889 1 . CYS 28 28 26889 1 . GLY 29 29 26889 1 . SER 30 30 26889 1 . HIS 31 31 26889 1 . LEU 32 32 26889 1 . VAL 33 33 26889 1 . GLU 34 34 26889 1 . ALA 35 35 26889 1 . LEU 36 36 26889 1 . TYR 37 37 26889 1 . LEU 38 38 26889 1 . VAL 39 39 26889 1 . CYS 40 40 26889 1 . GLY 41 41 26889 1 . GLU 42 42 26889 1 . ARG 43 43 26889 1 . GLY 44 44 26889 1 . PHE 45 45 26889 1 . PHE 46 46 26889 1 . TYR 47 47 26889 1 . THR 48 48 26889 1 . PRO 49 49 26889 1 . LYS 50 50 26889 1 . ALA 51 51 26889 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 26889 _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 $bovine_insulin . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 26889 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 26889 _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 $bovine_insulin . 'obtained from a vendor' 'Bos taurus' . . . Bos taurus . . . . . . . . . . 26889 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26889 _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 'bovine insulin' 'natural abundance' . . 1 $bovine_insulin . . 1.1 . . mM . . . . 26889 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 26889 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2.86 . pH 26889 1 pressure 1 . atm 26889 1 temperature 293 . K 26889 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26889 _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' . . 26889 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26889 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26889 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26889 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26889 2 'peak picking' 26889 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26889 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26889 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26889 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 26889 _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 26889 _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 . . . 26889 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 26889 _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 . . . . . . . . . . . . . . . . 26889 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26889 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26889 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26889 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 26889 _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 . . . . . 26889 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26889 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 26889 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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' . . . 26889 1 2 '2D 1H-1H NOESY' . . . 26889 1 3 '2D DQF-COSY' . . . 26889 1 4 '2D 1H-13C HSQC' . . . 26889 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 GLY HA2 H 1 4.02 0.015 . 1 . . . . 1 GLY HA2 . 26889 1 2 . 1 1 1 1 GLY HA3 H 1 4.02 0.015 . 1 . . . . 1 GLY HA3 . 26889 1 3 . 1 1 1 1 GLY CA C 13 43.46 0.1 . 1 . . . . 1 GLY CA . 26889 1 4 . 1 1 2 2 ILE H H 1 8.87 0.015 . 1 . . . . 2 ILE H . 26889 1 5 . 1 1 2 2 ILE HA H 1 3.85 0.015 . 1 . . . . 2 ILE HA . 26889 1 6 . 1 1 2 2 ILE HB H 1 1.1 0.015 . 1 . . . . 2 ILE HB . 26889 1 7 . 1 1 2 2 ILE HG12 H 1 1.23 0.015 . 1 . . . . 2 ILE HG12 . 26889 1 8 . 1 1 2 2 ILE HG13 H 1 1.23 0.015 . 1 . . . . 2 ILE HG13 . 26889 1 9 . 1 1 2 2 ILE HG21 H 1 0.72 0.015 . 1 . . . . 2 ILE MG . 26889 1 10 . 1 1 2 2 ILE HG22 H 1 0.72 0.015 . 1 . . . . 2 ILE MG . 26889 1 11 . 1 1 2 2 ILE HG23 H 1 0.72 0.015 . 1 . . . . 2 ILE MG . 26889 1 12 . 1 1 2 2 ILE HD11 H 1 0.51 0.015 . 1 . . . . 2 ILE MD . 26889 1 13 . 1 1 2 2 ILE HD12 H 1 0.51 0.015 . 1 . . . . 2 ILE MD . 26889 1 14 . 1 1 2 2 ILE HD13 H 1 0.51 0.015 . 1 . . . . 2 ILE MD . 26889 1 15 . 1 1 2 2 ILE CA C 13 57.42 0.1 . 1 . . . . 2 ILE CA . 26889 1 16 . 1 1 2 2 ILE CB C 13 41.29 0.1 . 1 . . . . 2 ILE CB . 26889 1 17 . 1 1 2 2 ILE CG1 C 13 25.87 0.1 . 1 . . . . 2 ILE CG1 . 26889 1 18 . 1 1 2 2 ILE CG2 C 13 18.60 0.1 . 1 . . . . 2 ILE CG2 . 26889 1 19 . 1 1 2 2 ILE CD1 C 13 14.97 0.1 . 1 . . . . 2 ILE CD1 . 26889 1 20 . 1 1 3 3 VAL H H 1 8.4 0.015 . 1 . . . . 3 VAL H . 26889 1 21 . 1 1 3 3 VAL HA H 1 3.63 0.015 . 1 . . . . 3 VAL HA . 26889 1 22 . 1 1 3 3 VAL HB H 1 2.07 0.015 . 1 . . . . 3 VAL HB . 26889 1 23 . 1 1 3 3 VAL HG11 H 1 1.08 0.015 . 2 . . . . 3 VAL MG1 . 26889 1 24 . 1 1 3 3 VAL HG12 H 1 1.08 0.015 . 2 . . . . 3 VAL MG1 . 26889 1 25 . 1 1 3 3 VAL HG13 H 1 1.08 0.015 . 2 . . . . 3 VAL MG1 . 26889 1 26 . 1 1 3 3 VAL HG21 H 1 1.0 0.015 . 2 . . . . 3 VAL MG2 . 26889 1 27 . 1 1 3 3 VAL HG22 H 1 1.0 0.015 . 2 . . . . 3 VAL MG2 . 26889 1 28 . 1 1 3 3 VAL HG23 H 1 1.0 0.015 . 2 . . . . 3 VAL MG2 . 26889 1 29 . 1 1 3 3 VAL CA C 13 66.53 0.1 . 1 . . . . 3 VAL CA . 26889 1 30 . 1 1 3 3 VAL CB C 13 27.77 0.1 . 1 . . . . 3 VAL CB . 26889 1 31 . 1 1 3 3 VAL CG1 C 13 21.35 0.1 . 2 . . . . 3 VAL CG1 . 26889 1 32 . 1 1 3 3 VAL CG2 C 13 21.50 0.1 . 2 . . . . 3 VAL CG2 . 26889 1 33 . 1 1 4 4 GLU H H 1 8.17 0.015 . 1 . . . . 4 GLU H . 26889 1 34 . 1 1 4 4 GLU HA H 1 4.03 0.015 . 1 . . . . 4 GLU HA . 26889 1 35 . 1 1 4 4 GLU HB2 H 1 2.17 0.015 . 2 . . . . 4 GLU HB2 . 26889 1 36 . 1 1 4 4 GLU HB3 H 1 2.08 0.015 . 2 . . . . 4 GLU HB3 . 26889 1 37 . 1 1 4 4 GLU HG2 H 1 2.59 0.015 . 2 . . . . 4 GLU HG2 . 26889 1 38 . 1 1 4 4 GLU HG3 H 1 2.44 0.015 . 2 . . . . 4 GLU HG3 . 26889 1 39 . 1 1 4 4 GLU CA C 13 57.57 0.1 . 1 . . . . 4 GLU CA . 26889 1 40 . 1 1 4 4 GLU CB C 13 31.03 0.1 . 1 . . . . 4 GLU CB . 26889 1 41 . 1 1 4 4 GLU CG C 13 34.22 0.1 . 1 . . . . 4 GLU CG . 26889 1 42 . 1 1 5 5 GLN H H 1 8.32 0.015 . 1 . . . . 5 GLN H . 26889 1 43 . 1 1 5 5 GLN HA H 1 4.11 0.015 . 1 . . . . 5 GLN HA . 26889 1 44 . 1 1 5 5 GLN HB2 H 1 2.21 0.015 . 2 . . . . 5 GLN HB2 . 26889 1 45 . 1 1 5 5 GLN HB3 H 1 2.08 0.015 . 2 . . . . 5 GLN HB3 . 26889 1 46 . 1 1 5 5 GLN HG2 H 1 2.64 0.015 . 2 . . . . 5 GLN HG2 . 26889 1 47 . 1 1 5 5 GLN HG3 H 1 2.49 0.015 . 2 . . . . 5 GLN HG3 . 26889 1 48 . 1 1 5 5 GLN HE21 H 1 7.13 0.015 . 2 . . . . 5 GLN HE21 . 26889 1 49 . 1 1 5 5 GLN HE22 H 1 6.87 0.015 . 2 . . . . 5 GLN HE22 . 26889 1 50 . 1 1 5 5 GLN CA C 13 61.86 0.1 . 1 . . . . 5 GLN CA . 26889 1 51 . 1 1 5 5 GLN CB C 13 32.06 0.1 . 1 . . . . 5 GLN CB . 26889 1 52 . 1 1 5 5 GLN CG C 13 36.96 0.1 . 1 . . . . 5 GLN CG . 26889 1 53 . 1 1 6 6 CYS H H 1 8.41 0.015 . 1 . . . . 6 CYS H . 26889 1 54 . 1 1 6 6 CYS HA H 1 4.97 0.015 . 1 . . . . 6 CYS HA . 26889 1 55 . 1 1 6 6 CYS HB2 H 1 3.28 0.015 . 2 . . . . 6 CYS HB2 . 26889 1 56 . 1 1 6 6 CYS HB3 H 1 2.90 0.015 . 2 . . . . 6 CYS HB3 . 26889 1 57 . 1 1 6 6 CYS CA C 13 54.38 0.1 . 1 . . . . 6 CYS CA . 26889 1 58 . 1 1 6 6 CYS CB C 13 38.05 0.1 . 1 . . . . 6 CYS CB . 26889 1 59 . 1 1 7 7 CYS H H 1 8.14 0.015 . 1 . . . . 7 CYS H . 26889 1 60 . 1 1 7 7 CYS HA H 1 4.89 0.015 . 1 . . . . 7 CYS HA . 26889 1 61 . 1 1 7 7 CYS HB2 H 1 2.80 0.015 . 2 . . . . 7 CYS HB2 . 26889 1 62 . 1 1 7 7 CYS HB3 H 1 3.06 0.015 . 2 . . . . 7 CYS HB3 . 26889 1 63 . 1 1 7 7 CYS CA C 13 53.03 0.1 . 1 . . . . 7 CYS CA . 26889 1 64 . 1 1 7 7 CYS CB C 13 38.07 0.1 . 1 . . . . 7 CYS CB . 26889 1 65 . 1 1 8 8 ALA H H 1 8.25 0.015 . 1 . . . . 8 ALA H . 26889 1 66 . 1 1 8 8 ALA HA H 1 4.18 0.015 . 1 . . . . 8 ALA HA . 26889 1 67 . 1 1 8 8 ALA HB1 H 1 1.6 0.015 . 1 . . . . 8 ALA MB . 26889 1 68 . 1 1 8 8 ALA HB2 H 1 1.6 0.015 . 1 . . . . 8 ALA MB . 26889 1 69 . 1 1 8 8 ALA HB3 H 1 1.6 0.015 . 1 . . . . 8 ALA MB . 26889 1 70 . 1 1 8 8 ALA CA C 13 58.33 0.1 . 1 . . . . 8 ALA CA . 26889 1 71 . 1 1 8 8 ALA CB C 13 18.64 0.1 . 1 . . . . 8 ALA CB . 26889 1 72 . 1 1 9 9 SER H H 1 7.02 0.015 . 1 . . . . 9 SER H . 26889 1 73 . 1 1 9 9 SER HA H 1 4.78 0.015 . 1 . . . . 9 SER HA . 26889 1 74 . 1 1 9 9 SER HB2 H 1 4.09 0.015 . 2 . . . . 9 SER HB2 . 26889 1 75 . 1 1 9 9 SER HB3 H 1 3.9 0.015 . 2 . . . . 9 SER HB3 . 26889 1 76 . 1 1 9 9 SER CA C 13 55.63 0.1 . 1 . . . . 9 SER CA . 26889 1 77 . 1 1 9 9 SER CB C 13 69.74 0.1 . 1 . . . . 9 SER CB . 26889 1 78 . 1 1 10 10 VAL H H 1 7.87 0.015 . 1 . . . . 10 VAL H . 26889 1 79 . 1 1 10 10 VAL HA H 1 4.39 0.015 . 1 . . . . 10 VAL HA . 26889 1 80 . 1 1 10 10 VAL HB H 1 1.74 0.015 . 1 . . . . 10 VAL HB . 26889 1 81 . 1 1 10 10 VAL HG11 H 1 0.43 0.015 . 2 . . . . 10 VAL MG1 . 26889 1 82 . 1 1 10 10 VAL HG12 H 1 0.43 0.015 . 2 . . . . 10 VAL MG1 . 26889 1 83 . 1 1 10 10 VAL HG13 H 1 0.43 0.015 . 2 . . . . 10 VAL MG1 . 26889 1 84 . 1 1 10 10 VAL HG21 H 1 0.63 0.015 . 2 . . . . 10 VAL MG2 . 26889 1 85 . 1 1 10 10 VAL HG22 H 1 0.63 0.015 . 2 . . . . 10 VAL MG2 . 26889 1 86 . 1 1 10 10 VAL HG23 H 1 0.63 0.015 . 2 . . . . 10 VAL MG2 . 26889 1 87 . 1 1 10 10 VAL CA C 13 65.90 0.1 . 1 . . . . 10 VAL CA . 26889 1 88 . 1 1 10 10 VAL CB C 13 29.04 0.1 . 1 . . . . 10 VAL CB . 26889 1 89 . 1 1 10 10 VAL CG1 C 13 20.28 0.1 . 2 . . . . 10 VAL CG1 . 26889 1 90 . 1 1 10 10 VAL CG2 C 13 21.24 0.1 . 2 . . . . 10 VAL CG2 . 26889 1 91 . 1 1 11 11 CYS H H 1 8.53 0.015 . 1 . . . . 11 CYS H . 26889 1 92 . 1 1 11 11 CYS HA H 1 5.11 0.015 . 1 . . . . 11 CYS HA . 26889 1 93 . 1 1 11 11 CYS HB2 H 1 2.92 0.015 . 2 . . . . 11 CYS HB2 . 26889 1 94 . 1 1 11 11 CYS HB3 H 1 2.98 0.015 . 2 . . . . 11 CYS HB3 . 26889 1 95 . 1 1 11 11 CYS CA C 13 53.62 0.1 . 1 . . . . 11 CYS CA . 26889 1 96 . 1 1 11 11 CYS CB C 13 42.13 0.1 . 1 . . . . 11 CYS CB . 26889 1 97 . 1 1 12 12 SER H H 1 8.79 0.015 . 1 . . . . 12 SER H . 26889 1 98 . 1 1 12 12 SER HA H 1 4.59 0.015 . 1 . . . . 12 SER HA . 26889 1 99 . 1 1 12 12 SER HB2 H 1 4.01 0.015 . 2 . . . . 12 SER HB2 . 26889 1 100 . 1 1 12 12 SER HB3 H 1 4.31 0.015 . 2 . . . . 12 SER HB3 . 26889 1 101 . 1 1 12 12 SER CA C 13 53.90 0.1 . 1 . . . . 12 SER CA . 26889 1 102 . 1 1 12 12 SER CB C 13 69.99 0.1 . 1 . . . . 12 SER CB . 26889 1 103 . 1 1 13 13 LEU H H 1 8.68 0.015 . 1 . . . . 13 LEU H . 26889 1 104 . 1 1 13 13 LEU HA H 1 3.8 0.015 . 1 . . . . 13 LEU HA . 26889 1 105 . 1 1 13 13 LEU HB2 H 1 1.39 0.015 . 1 . . . . 13 LEU HB2 . 26889 1 106 . 1 1 13 13 LEU HB3 H 1 1.39 0.015 . 1 . . . . 13 LEU HB3 . 26889 1 107 . 1 1 13 13 LEU HG H 1 1.30 0.015 . 1 . . . . 13 LEU HG . 26889 1 108 . 1 1 13 13 LEU HD11 H 1 0.75 0.015 . 2 . . . . 13 LEU MD1 . 26889 1 109 . 1 1 13 13 LEU HD12 H 1 0.75 0.015 . 2 . . . . 13 LEU MD1 . 26889 1 110 . 1 1 13 13 LEU HD13 H 1 0.75 0.015 . 2 . . . . 13 LEU MD1 . 26889 1 111 . 1 1 13 13 LEU HD21 H 1 0.78 0.015 . 2 . . . . 13 LEU MD2 . 26889 1 112 . 1 1 13 13 LEU HD22 H 1 0.78 0.015 . 2 . . . . 13 LEU MD2 . 26889 1 113 . 1 1 13 13 LEU HD23 H 1 0.78 0.015 . 2 . . . . 13 LEU MD2 . 26889 1 114 . 1 1 13 13 LEU CA C 13 60.19 0.1 . 1 . . . . 13 LEU CA . 26889 1 115 . 1 1 13 13 LEU CB C 13 41.27 0.1 . 1 . . . . 13 LEU CB . 26889 1 116 . 1 1 13 13 LEU CG C 13 26.84 0.1 . 1 . . . . 13 LEU CG . 26889 1 117 . 1 1 13 13 LEU CD1 C 13 24.12 0.1 . 2 . . . . 13 LEU CD1 . 26889 1 118 . 1 1 13 13 LEU CD2 C 13 24.90 0.1 . 2 . . . . 13 LEU CD2 . 26889 1 119 . 1 1 14 14 TYR H H 1 7.6 0.015 . 1 . . . . 14 TYR H . 26889 1 120 . 1 1 14 14 TYR HA H 1 4.15 0.015 . 1 . . . . 14 TYR HA . 26889 1 121 . 1 1 14 14 TYR HB2 H 1 2.99 0.015 . 2 . . . . 14 TYR HB2 . 26889 1 122 . 1 1 14 14 TYR HB3 H 1 2.96 0.015 . 2 . . . . 14 TYR HB3 . 26889 1 123 . 1 1 14 14 TYR HD1 H 1 7.08 0.015 . 3 . . . . 14 TYR HD1 . 26889 1 124 . 1 1 14 14 TYR HD2 H 1 7.08 0.015 . 3 . . . . 14 TYR HD2 . 26889 1 125 . 1 1 14 14 TYR HE1 H 1 6.87 0.015 . 3 . . . . 14 TYR HE1 . 26889 1 126 . 1 1 14 14 TYR HE2 H 1 6.87 0.015 . 3 . . . . 14 TYR HE2 . 26889 1 127 . 1 1 14 14 TYR CA C 13 63.76 0.1 . 1 . . . . 14 TYR CA . 26889 1 128 . 1 1 14 14 TYR CB C 13 41.24 0.1 . 1 . . . . 14 TYR CB . 26889 1 129 . 1 1 14 14 TYR CD1 C 13 132.83 0.1 . 3 . . . . 14 TYR CD1 . 26889 1 130 . 1 1 14 14 TYR CD2 C 13 132.83 0.1 . 3 . . . . 14 TYR CD2 . 26889 1 131 . 1 1 14 14 TYR CE1 C 13 118.41 0.1 . 3 . . . . 14 TYR CE1 . 26889 1 132 . 1 1 14 14 TYR CE2 C 13 118.41 0.1 . 3 . . . . 14 TYR CE2 . 26889 1 133 . 1 1 15 15 GLN H H 1 8.05 0.015 . 1 . . . . 15 GLN H . 26889 1 134 . 1 1 15 15 GLN HA H 1 4.39 0.015 . 1 . . . . 15 GLN HA . 26889 1 135 . 1 1 15 15 GLN HB2 H 1 2.12 0.015 . 1 . . . . 15 GLN HB2 . 26889 1 136 . 1 1 15 15 GLN HB3 H 1 2.12 0.015 . 1 . . . . 15 GLN HB3 . 26889 1 137 . 1 1 15 15 GLN HG2 H 1 2.30 0.015 . 2 . . . . 15 GLN HG2 . 26889 1 138 . 1 1 15 15 GLN HG3 H 1 2.63 0.015 . 2 . . . . 15 GLN HG3 . 26889 1 139 . 1 1 15 15 GLN HE21 H 1 7.0 0.015 . 2 . . . . 15 GLN HE21 . 26889 1 140 . 1 1 15 15 GLN HE22 H 1 6.88 0.015 . 2 . . . . 15 GLN HE22 . 26889 1 141 . 1 1 15 15 GLN CA C 13 52.77 0.1 . 1 . . . . 15 GLN CA . 26889 1 142 . 1 1 15 15 GLN CB C 13 31.16 0.1 . 1 . . . . 15 GLN CB . 26889 1 143 . 1 1 15 15 GLN CG C 13 34.48 0.1 . 1 . . . . 15 GLN CG . 26889 1 144 . 1 1 16 16 LEU H H 1 8.14 0.015 . 1 . . . . 16 LEU H . 26889 1 145 . 1 1 16 16 LEU HA H 1 4.17 0.015 . 1 . . . . 16 LEU HA . 26889 1 146 . 1 1 16 16 LEU HB2 H 1 1.73 0.015 . 2 . . . . 16 LEU HB2 . 26889 1 147 . 1 1 16 16 LEU HB3 H 1 1.94 0.015 . 2 . . . . 16 LEU HB3 . 26889 1 148 . 1 1 16 16 LEU HG H 1 1.6 0.015 . 1 . . . . 16 LEU HG . 26889 1 149 . 1 1 16 16 LEU HD11 H 1 0.78 0.015 . 2 . . . . 16 LEU MD1 . 26889 1 150 . 1 1 16 16 LEU HD12 H 1 0.78 0.015 . 2 . . . . 16 LEU MD1 . 26889 1 151 . 1 1 16 16 LEU HD13 H 1 0.78 0.015 . 2 . . . . 16 LEU MD1 . 26889 1 152 . 1 1 16 16 LEU HD21 H 1 0.83 0.015 . 2 . . . . 16 LEU MD2 . 26889 1 153 . 1 1 16 16 LEU HD22 H 1 0.83 0.015 . 2 . . . . 16 LEU MD2 . 26889 1 154 . 1 1 16 16 LEU HD23 H 1 0.83 0.015 . 2 . . . . 16 LEU MD2 . 26889 1 155 . 1 1 16 16 LEU CA C 13 55.27 0.1 . 1 . . . . 16 LEU CA . 26889 1 156 . 1 1 16 16 LEU CB C 13 42.22 0.1 . 1 . . . . 16 LEU CB . 26889 1 157 . 1 1 16 16 LEU CG C 13 28.18 0.1 . 1 . . . . 16 LEU CG . 26889 1 158 . 1 1 16 16 LEU CD1 C 13 25.91 0.1 . 2 . . . . 16 LEU CD1 . 26889 1 159 . 1 1 16 16 LEU CD2 C 13 25.98 0.1 . 2 . . . . 16 LEU CD2 . 26889 1 160 . 1 1 17 17 GLU H H 1 7.39 0.015 . 1 . . . . 17 GLU H . 26889 1 161 . 1 1 17 17 GLU HA H 1 4.49 0.015 . 1 . . . . 17 GLU HA . 26889 1 162 . 1 1 17 17 GLU HB2 H 1 2.12 0.015 . 1 . . . . 17 GLU HB2 . 26889 1 163 . 1 1 17 17 GLU HB3 H 1 2.12 0.015 . 1 . . . . 17 GLU HB3 . 26889 1 164 . 1 1 17 17 GLU HG2 H 1 2.59 0.015 . 2 . . . . 17 GLU HG2 . 26889 1 165 . 1 1 17 17 GLU HG3 H 1 2.44 0.015 . 2 . . . . 17 GLU HG3 . 26889 1 166 . 1 1 17 17 GLU CA C 13 56.86 0.1 . 1 . . . . 17 GLU CA . 26889 1 167 . 1 1 17 17 GLU CB C 13 27.93 0.1 . 1 . . . . 17 GLU CB . 26889 1 168 . 1 1 17 17 GLU CG C 13 33.11 0.1 . 1 . . . . 17 GLU CG . 26889 1 169 . 1 1 18 18 ASN H H 1 7.92 0.015 . 1 . . . . 18 ASN H . 26889 1 170 . 1 1 18 18 ASN HA H 1 4.5 0.015 . 1 . . . . 18 ASN HA . 26889 1 171 . 1 1 18 18 ASN HB2 H 1 2.97 0.015 . 2 . . . . 18 ASN HB2 . 26889 1 172 . 1 1 18 18 ASN HB3 H 1 2.43 0.015 . 2 . . . . 18 ASN HB3 . 26889 1 173 . 1 1 18 18 ASN HD21 H 1 6.82 0.015 . 2 . . . . 18 ASN HD21 . 26889 1 174 . 1 1 18 18 ASN HD22 H 1 7.31 0.015 . 2 . . . . 18 ASN HD22 . 26889 1 175 . 1 1 18 18 ASN CA C 13 57.50 0.1 . 1 . . . . 18 ASN CA . 26889 1 176 . 1 1 18 18 ASN CB C 13 38.31 0.1 . 1 . . . . 18 ASN CB . 26889 1 177 . 1 1 19 19 TYR H H 1 7.89 0.015 . 1 . . . . 19 TYR H . 26889 1 178 . 1 1 19 19 TYR HA H 1 4.43 0.015 . 1 . . . . 19 TYR HA . 26889 1 179 . 1 1 19 19 TYR HB2 H 1 3.44 0.015 . 2 . . . . 19 TYR HB2 . 26889 1 180 . 1 1 19 19 TYR HB3 H 1 2.85 0.015 . 2 . . . . 19 TYR HB3 . 26889 1 181 . 1 1 19 19 TYR HD1 H 1 7.27 0.015 . 3 . . . . 19 TYR HD1 . 26889 1 182 . 1 1 19 19 TYR HD2 H 1 7.27 0.015 . 3 . . . . 19 TYR HD2 . 26889 1 183 . 1 1 19 19 TYR HE1 H 1 6.83 0.015 . 3 . . . . 19 TYR HE1 . 26889 1 184 . 1 1 19 19 TYR HE2 H 1 6.83 0.015 . 3 . . . . 19 TYR HE2 . 26889 1 185 . 1 1 19 19 TYR CA C 13 57.16 0.1 . 1 . . . . 19 TYR CA . 26889 1 186 . 1 1 19 19 TYR CB C 13 50.31 0.1 . 1 . . . . 19 TYR CB . 26889 1 187 . 1 1 19 19 TYR CD1 C 13 133.97 0.1 . 3 . . . . 19 TYR CD1 . 26889 1 188 . 1 1 19 19 TYR CD2 C 13 133.97 0.1 . 3 . . . . 19 TYR CD2 . 26889 1 189 . 1 1 19 19 TYR CE1 C 13 117.84 0.1 . 3 . . . . 19 TYR CE1 . 26889 1 190 . 1 1 19 19 TYR CE2 C 13 117.84 0.1 . 3 . . . . 19 TYR CE2 . 26889 1 191 . 1 1 20 20 CYS H H 1 7.31 0.015 . 1 . . . . 20 CYS H . 26889 1 192 . 1 1 20 20 CYS HA H 1 5.45 0.015 . 1 . . . . 20 CYS HA . 26889 1 193 . 1 1 20 20 CYS HB2 H 1 3.44 0.015 . 2 . . . . 20 CYS HB2 . 26889 1 194 . 1 1 20 20 CYS HB3 H 1 2.85 0.015 . 2 . . . . 20 CYS HB3 . 26889 1 195 . 1 1 20 20 CYS CA C 13 52.82 0.1 . 1 . . . . 20 CYS CA . 26889 1 196 . 1 1 20 20 CYS CB C 13 42.10 0.1 . 1 . . . . 20 CYS CB . 26889 1 197 . 1 1 21 21 ASN H H 1 8.22 0.015 . 1 . . . . 21 ASN H . 26889 1 198 . 1 1 21 21 ASN HA H 1 4.98 0.015 . 1 . . . . 21 ASN HA . 26889 1 199 . 1 1 21 21 ASN HB2 H 1 2.71 0.015 . 1 . . . . 21 ASN HB2 . 26889 1 200 . 1 1 21 21 ASN HB3 H 1 2.71 0.015 . 1 . . . . 21 ASN HB3 . 26889 1 201 . 1 1 21 21 ASN HD21 H 1 6.81 0.015 . 2 . . . . 21 ASN HD21 . 26889 1 202 . 1 1 21 21 ASN HD22 H 1 7.28 0.015 . 2 . . . . 21 ASN HD22 . 26889 1 203 . 1 1 21 21 ASN CA C 13 52.46 0.1 . 1 . . . . 21 ASN CA . 26889 1 204 . 1 1 21 21 ASN CB C 13 38.27 0.1 . 1 . . . . 21 ASN CB . 26889 1 205 . 1 1 22 22 PHE HA H 1 4.26 0.015 . 1 . . . . 22 PHE HA . 26889 1 206 . 1 1 22 22 PHE HB2 H 1 3.17 0.015 . 1 . . . . 22 PHE HB2 . 26889 1 207 . 1 1 22 22 PHE HB3 H 1 3.17 0.015 . 1 . . . . 22 PHE HB3 . 26889 1 208 . 1 1 22 22 PHE HD1 H 1 7.24 0.015 . 3 . . . . 22 PHE HD1 . 26889 1 209 . 1 1 22 22 PHE HD2 H 1 7.24 0.015 . 3 . . . . 22 PHE HD2 . 26889 1 210 . 1 1 22 22 PHE HE1 H 1 7.37 0.015 . 3 . . . . 22 PHE HE1 . 26889 1 211 . 1 1 22 22 PHE HE2 H 1 7.37 0.015 . 3 . . . . 22 PHE HE2 . 26889 1 212 . 1 1 22 22 PHE HZ H 1 7.29 0.015 . 1 . . . . 22 PHE HZ . 26889 1 213 . 1 1 22 22 PHE CA C 13 57.19 0.1 . 1 . . . . 22 PHE CA . 26889 1 214 . 1 1 22 22 PHE CB C 13 39.71 0.1 . 1 . . . . 22 PHE CB . 26889 1 215 . 1 1 22 22 PHE CD1 C 13 132.58 0.1 . 3 . . . . 22 PHE CD1 . 26889 1 216 . 1 1 22 22 PHE CD2 C 13 132.58 0.1 . 3 . . . . 22 PHE CD2 . 26889 1 217 . 1 1 22 22 PHE CE1 C 13 130.61 0.1 . 3 . . . . 22 PHE CE1 . 26889 1 218 . 1 1 22 22 PHE CE2 C 13 130.61 0.1 . 3 . . . . 22 PHE CE2 . 26889 1 219 . 1 1 22 22 PHE CZ C 13 131.22 0.1 . 1 . . . . 22 PHE CZ . 26889 1 220 . 1 1 23 23 VAL H H 1 8.23 0.015 . 1 . . . . 23 VAL H . 26889 1 221 . 1 1 23 23 VAL HA H 1 4.08 0.015 . 1 . . . . 23 VAL HA . 26889 1 222 . 1 1 23 23 VAL HB H 1 1.88 0.015 . 1 . . . . 23 VAL HB . 26889 1 223 . 1 1 23 23 VAL HG11 H 1 0.83 0.015 . 2 . . . . 23 VAL MG1 . 26889 1 224 . 1 1 23 23 VAL HG12 H 1 0.83 0.015 . 2 . . . . 23 VAL MG1 . 26889 1 225 . 1 1 23 23 VAL HG13 H 1 0.83 0.015 . 2 . . . . 23 VAL MG1 . 26889 1 226 . 1 1 23 23 VAL HG21 H 1 0.86 0.015 . 2 . . . . 23 VAL MG2 . 26889 1 227 . 1 1 23 23 VAL HG22 H 1 0.86 0.015 . 2 . . . . 23 VAL MG2 . 26889 1 228 . 1 1 23 23 VAL HG23 H 1 0.86 0.015 . 2 . . . . 23 VAL MG2 . 26889 1 229 . 1 1 23 23 VAL CA C 13 65.93 0.1 . 1 . . . . 23 VAL CA . 26889 1 230 . 1 1 23 23 VAL CB C 13 32.79 0.1 . 1 . . . . 23 VAL CB . 26889 1 231 . 1 1 23 23 VAL CG1 C 13 20.53 0.1 . 2 . . . . 23 VAL CG1 . 26889 1 232 . 1 1 23 23 VAL CG2 C 13 20.91 0.1 . 2 . . . . 23 VAL CG2 . 26889 1 233 . 1 1 24 24 ASN H H 1 8.56 0.015 . 1 . . . . 24 ASN H . 26889 1 234 . 1 1 24 24 ASN HA H 1 4.67 0.015 . 1 . . . . 24 ASN HA . 26889 1 235 . 1 1 24 24 ASN HB2 H 1 2.71 0.015 . 1 . . . . 24 ASN HB2 . 26889 1 236 . 1 1 24 24 ASN HB3 H 1 2.71 0.015 . 1 . . . . 24 ASN HB3 . 26889 1 237 . 1 1 24 24 ASN HD21 H 1 6.92 0.015 . 2 . . . . 24 ASN HD21 . 26889 1 238 . 1 1 24 24 ASN HD22 H 1 7.56 0.015 . 2 . . . . 24 ASN HD22 . 26889 1 239 . 1 1 24 24 ASN CA C 13 53.15 0.1 . 1 . . . . 24 ASN CA . 26889 1 240 . 1 1 24 24 ASN CB C 13 38.33 0.1 . 1 . . . . 24 ASN CB . 26889 1 241 . 1 1 25 25 GLN H H 1 8.17 0.015 . 1 . . . . 25 GLN H . 26889 1 242 . 1 1 25 25 GLN HA H 1 4.03 0.015 . 1 . . . . 25 GLN HA . 26889 1 243 . 1 1 25 25 GLN HB2 H 1 1.99 0.015 . 2 . . . . 25 GLN HB2 . 26889 1 244 . 1 1 25 25 GLN HB3 H 1 2.07 0.015 . 2 . . . . 25 GLN HB3 . 26889 1 245 . 1 1 25 25 GLN HG2 H 1 2.12 0.015 . 2 . . . . 25 GLN HG2 . 26889 1 246 . 1 1 25 25 GLN HG3 H 1 2.22 0.015 . 2 . . . . 25 GLN HG3 . 26889 1 247 . 1 1 25 25 GLN HE21 H 1 7.44 0.015 . 2 . . . . 25 GLN HE21 . 26889 1 248 . 1 1 25 25 GLN HE22 H 1 6.84 0.015 . 2 . . . . 25 GLN HE22 . 26889 1 249 . 1 1 25 25 GLN CA C 13 60.98 0.1 . 1 . . . . 25 GLN CA . 26889 1 250 . 1 1 25 25 GLN CB C 13 33.95 0.1 . 1 . . . . 25 GLN CB . 26889 1 251 . 1 1 25 25 GLN CG C 13 34.00 0.1 . 1 . . . . 25 GLN CG . 26889 1 252 . 1 1 26 26 HIS H H 1 8.73 0.015 . 1 . . . . 26 HIS H . 26889 1 253 . 1 1 26 26 HIS HA H 1 4.48 0.015 . 1 . . . . 26 HIS HA . 26889 1 254 . 1 1 26 26 HIS HB2 H 1 3.28 0.015 . 2 . . . . 26 HIS HB2 . 26889 1 255 . 1 1 26 26 HIS HB3 H 1 3.55 0.015 . 2 . . . . 26 HIS HB3 . 26889 1 256 . 1 1 26 26 HIS HD2 H 1 7.34 0.015 . 1 . . . . 26 HIS HD2 . 26889 1 257 . 1 1 26 26 HIS HE1 H 1 8.57 0.015 . 1 . . . . 26 HIS HE1 . 26889 1 258 . 1 1 26 26 HIS CA C 13 56.31 0.1 . 1 . . . . 26 HIS CA . 26889 1 259 . 1 1 26 26 HIS CB C 13 28.24 0.1 . 1 . . . . 26 HIS CB . 26889 1 260 . 1 1 26 26 HIS CD2 C 13 121.03 0.1 . 1 . . . . 26 HIS CD2 . 26889 1 261 . 1 1 26 26 HIS CE1 C 13 136.14 0.1 . 1 . . . . 26 HIS CE1 . 26889 1 262 . 1 1 27 27 LEU H H 1 9.17 0.015 . 1 . . . . 27 LEU H . 26889 1 263 . 1 1 27 27 LEU HA H 1 4.51 0.015 . 1 . . . . 27 LEU HA . 26889 1 264 . 1 1 27 27 LEU HB2 H 1 1.77 0.015 . 2 . . . . 27 LEU HB2 . 26889 1 265 . 1 1 27 27 LEU HB3 H 1 1.45 0.015 . 2 . . . . 27 LEU HB3 . 26889 1 266 . 1 1 27 27 LEU HG H 1 1.55 0.015 . 1 . . . . 27 LEU HG . 26889 1 267 . 1 1 27 27 LEU HD11 H 1 0.7 0.015 . 2 . . . . 27 LEU MD1 . 26889 1 268 . 1 1 27 27 LEU HD12 H 1 0.7 0.015 . 2 . . . . 27 LEU MD1 . 26889 1 269 . 1 1 27 27 LEU HD13 H 1 0.7 0.015 . 2 . . . . 27 LEU MD1 . 26889 1 270 . 1 1 27 27 LEU HD21 H 1 0.87 0.015 . 2 . . . . 27 LEU MD2 . 26889 1 271 . 1 1 27 27 LEU HD22 H 1 0.87 0.015 . 2 . . . . 27 LEU MD2 . 26889 1 272 . 1 1 27 27 LEU HD23 H 1 0.87 0.015 . 2 . . . . 27 LEU MD2 . 26889 1 273 . 1 1 27 27 LEU CA C 13 54.93 0.1 . 1 . . . . 27 LEU CA . 26889 1 274 . 1 1 27 27 LEU CB C 13 45.85 0.1 . 1 . . . . 27 LEU CB . 26889 1 275 . 1 1 27 27 LEU CG C 13 25.78 0.1 . 1 . . . . 27 LEU CG . 26889 1 276 . 1 1 27 27 LEU CD1 C 13 23.60 0.1 . 2 . . . . 27 LEU CD1 . 26889 1 277 . 1 1 27 27 LEU CD2 C 13 26.17 0.1 . 2 . . . . 27 LEU CD2 . 26889 1 278 . 1 1 28 28 CYS H H 1 8.39 0.015 . 1 . . . . 28 CYS H . 26889 1 279 . 1 1 28 28 CYS HA H 1 5.04 0.015 . 1 . . . . 28 CYS HA . 26889 1 280 . 1 1 28 28 CYS HB2 H 1 3.25 0.015 . 2 . . . . 28 CYS HB2 . 26889 1 281 . 1 1 28 28 CYS HB3 H 1 2.96 0.015 . 2 . . . . 28 CYS HB3 . 26889 1 282 . 1 1 28 28 CYS CA C 13 53.89 0.1 . 1 . . . . 28 CYS CA . 26889 1 283 . 1 1 28 28 CYS CB C 13 43.87 0.1 . 1 . . . . 28 CYS CB . 26889 1 284 . 1 1 29 29 GLY H H 1 9.74 0.015 . 1 . . . . 29 GLY H . 26889 1 285 . 1 1 29 29 GLY HA2 H 1 3.84 0.015 . 2 . . . . 29 GLY HA2 . 26889 1 286 . 1 1 29 29 GLY HA3 H 1 3.94 0.015 . 2 . . . . 29 GLY HA3 . 26889 1 287 . 1 1 29 29 GLY CA C 13 45.13 0.1 . 1 . . . . 29 GLY CA . 26889 1 288 . 1 1 30 30 SER H H 1 8.9 0.015 . 1 . . . . 30 SER H . 26889 1 289 . 1 1 30 30 SER HA H 1 4.58 0.015 . 1 . . . . 30 SER HA . 26889 1 290 . 1 1 30 30 SER HB2 H 1 3.07 0.015 . 2 . . . . 30 SER HB2 . 26889 1 291 . 1 1 30 30 SER HB3 H 1 3.61 0.015 . 2 . . . . 30 SER HB3 . 26889 1 292 . 1 1 30 30 SER CA C 13 58.84 0.1 . 1 . . . . 30 SER CA . 26889 1 293 . 1 1 30 30 SER CB C 13 65.67 0.1 . 1 . . . . 30 SER CB . 26889 1 294 . 1 1 31 31 HIS H H 1 7.78 0.015 . 1 . . . . 31 HIS H . 26889 1 295 . 1 1 31 31 HIS HA H 1 4.33 0.015 . 1 . . . . 31 HIS HA . 26889 1 296 . 1 1 31 31 HIS HB2 H 1 3.52 0.015 . 2 . . . . 31 HIS HB2 . 26889 1 297 . 1 1 31 31 HIS HB3 H 1 3.22 0.015 . 2 . . . . 31 HIS HB3 . 26889 1 298 . 1 1 31 31 HIS HD2 H 1 7.44 0.015 . 1 . . . . 31 HIS HD2 . 26889 1 299 . 1 1 31 31 HIS HE1 H 1 8.64 0.015 . 1 . . . . 31 HIS HE1 . 26889 1 300 . 1 1 31 31 HIS CA C 13 60.79 0.1 . 1 . . . . 31 HIS CA . 26889 1 301 . 1 1 31 31 HIS CB C 13 27.91 0.1 . 1 . . . . 31 HIS CB . 26889 1 302 . 1 1 31 31 HIS CD2 C 13 120.34 0.1 . 1 . . . . 31 HIS CD2 . 26889 1 303 . 1 1 31 31 HIS CE1 C 13 136.76 0.1 . 1 . . . . 31 HIS CE1 . 26889 1 304 . 1 1 32 32 LEU H H 1 8.47 0.015 . 1 . . . . 32 LEU H . 26889 1 305 . 1 1 32 32 LEU HA H 1 4.09 0.015 . 1 . . . . 32 LEU HA . 26889 1 306 . 1 1 32 32 LEU HB2 H 1 1.17 0.015 . 2 . . . . 32 LEU HB2 . 26889 1 307 . 1 1 32 32 LEU HB3 H 1 1.92 0.015 . 2 . . . . 32 LEU HB3 . 26889 1 308 . 1 1 32 32 LEU HG H 1 1.63 0.015 . 1 . . . . 32 LEU HG . 26889 1 309 . 1 1 32 32 LEU HD11 H 1 0.8 0.015 . 2 . . . . 32 LEU MD1 . 26889 1 310 . 1 1 32 32 LEU HD12 H 1 0.8 0.015 . 2 . . . . 32 LEU MD1 . 26889 1 311 . 1 1 32 32 LEU HD13 H 1 0.8 0.015 . 2 . . . . 32 LEU MD1 . 26889 1 312 . 1 1 32 32 LEU HD21 H 1 0.85 0.015 . 2 . . . . 32 LEU MD2 . 26889 1 313 . 1 1 32 32 LEU HD22 H 1 0.85 0.015 . 2 . . . . 32 LEU MD2 . 26889 1 314 . 1 1 32 32 LEU HD23 H 1 0.85 0.015 . 2 . . . . 32 LEU MD2 . 26889 1 315 . 1 1 32 32 LEU CA C 13 56.43 0.1 . 1 . . . . 32 LEU CA . 26889 1 316 . 1 1 32 32 LEU CB C 13 42.36 0.1 . 1 . . . . 32 LEU CB . 26889 1 317 . 1 1 32 32 LEU CG C 13 28.00 0.1 . 1 . . . . 32 LEU CG . 26889 1 318 . 1 1 32 32 LEU CD1 C 13 20.02 0.1 . 2 . . . . 32 LEU CD1 . 26889 1 319 . 1 1 32 32 LEU CD2 C 13 22.76 0.1 . 2 . . . . 32 LEU CD2 . 26889 1 320 . 1 1 33 33 VAL H H 1 6.86 0.015 . 1 . . . . 33 VAL H . 26889 1 321 . 1 1 33 33 VAL HA H 1 3.93 0.015 . 1 . . . . 33 VAL HA . 26889 1 322 . 1 1 33 33 VAL HB H 1 1.89 0.015 . 1 . . . . 33 VAL HB . 26889 1 323 . 1 1 33 33 VAL HG11 H 1 1.13 0.015 . 2 . . . . 33 VAL MG1 . 26889 1 324 . 1 1 33 33 VAL HG12 H 1 1.13 0.015 . 2 . . . . 33 VAL MG1 . 26889 1 325 . 1 1 33 33 VAL HG13 H 1 1.13 0.015 . 2 . . . . 33 VAL MG1 . 26889 1 326 . 1 1 33 33 VAL HG21 H 1 1.25 0.015 . 2 . . . . 33 VAL MG2 . 26889 1 327 . 1 1 33 33 VAL HG22 H 1 1.25 0.015 . 2 . . . . 33 VAL MG2 . 26889 1 328 . 1 1 33 33 VAL HG23 H 1 1.25 0.015 . 2 . . . . 33 VAL MG2 . 26889 1 329 . 1 1 33 33 VAL CA C 13 65.15 0.1 . 1 . . . . 33 VAL CA . 26889 1 330 . 1 1 33 33 VAL CB C 13 26.83 0.1 . 1 . . . . 33 VAL CB . 26889 1 331 . 1 1 33 33 VAL CG1 C 13 22.25 0.1 . 2 . . . . 33 VAL CG1 . 26889 1 332 . 1 1 33 33 VAL CG2 C 13 23.06 0.1 . 2 . . . . 33 VAL CG2 . 26889 1 333 . 1 1 34 34 GLU H H 1 7.52 0.015 . 1 . . . . 34 GLU H . 26889 1 334 . 1 1 34 34 GLU HA H 1 4.0 0.015 . 1 . . . . 34 GLU HA . 26889 1 335 . 1 1 34 34 GLU HB2 H 1 2.04 0.015 . 2 . . . . 34 GLU HB2 . 26889 1 336 . 1 1 34 34 GLU HB3 H 1 1.99 0.015 . 2 . . . . 34 GLU HB3 . 26889 1 337 . 1 1 34 34 GLU HG2 H 1 2.39 0.015 . 2 . . . . 34 GLU HG2 . 26889 1 338 . 1 1 34 34 GLU HG3 H 1 2.44 0.015 . 2 . . . . 34 GLU HG3 . 26889 1 339 . 1 1 34 34 GLU CA C 13 63.99 0.1 . 1 . . . . 34 GLU CA . 26889 1 340 . 1 1 34 34 GLU CB C 13 31.40 0.1 . 1 . . . . 34 GLU CB . 26889 1 341 . 1 1 34 34 GLU CG C 13 35.33 0.1 . 1 . . . . 34 GLU CG . 26889 1 342 . 1 1 35 35 ALA H H 1 8.2 0.015 . 1 . . . . 35 ALA H . 26889 1 343 . 1 1 35 35 ALA HA H 1 4.23 0.015 . 1 . . . . 35 ALA HA . 26889 1 344 . 1 1 35 35 ALA HB1 H 1 1.33 0.015 . 1 . . . . 35 ALA MB . 26889 1 345 . 1 1 35 35 ALA HB2 H 1 1.33 0.015 . 1 . . . . 35 ALA MB . 26889 1 346 . 1 1 35 35 ALA HB3 H 1 1.33 0.015 . 1 . . . . 35 ALA MB . 26889 1 347 . 1 1 35 35 ALA CA C 13 54.68 0.1 . 1 . . . . 35 ALA CA . 26889 1 348 . 1 1 35 35 ALA CB C 13 19.21 0.1 . 1 . . . . 35 ALA CB . 26889 1 349 . 1 1 36 36 LEU H H 1 8.38 0.015 . 1 . . . . 36 LEU H . 26889 1 350 . 1 1 36 36 LEU HA H 1 4.06 0.015 . 1 . . . . 36 LEU HA . 26889 1 351 . 1 1 36 36 LEU HB2 H 1 1.91 0.015 . 2 . . . . 36 LEU HB2 . 26889 1 352 . 1 1 36 36 LEU HB3 H 1 1.45 0.015 . 2 . . . . 36 LEU HB3 . 26889 1 353 . 1 1 36 36 LEU HG H 1 1.61 0.015 . 1 . . . . 36 LEU HG . 26889 1 354 . 1 1 36 36 LEU HD11 H 1 0.86 0.015 . 2 . . . . 36 LEU MD1 . 26889 1 355 . 1 1 36 36 LEU HD12 H 1 0.86 0.015 . 2 . . . . 36 LEU MD1 . 26889 1 356 . 1 1 36 36 LEU HD13 H 1 0.86 0.015 . 2 . . . . 36 LEU MD1 . 26889 1 357 . 1 1 36 36 LEU HD21 H 1 0.84 0.015 . 2 . . . . 36 LEU MD2 . 26889 1 358 . 1 1 36 36 LEU HD22 H 1 0.84 0.015 . 2 . . . . 36 LEU MD2 . 26889 1 359 . 1 1 36 36 LEU HD23 H 1 0.84 0.015 . 2 . . . . 36 LEU MD2 . 26889 1 360 . 1 1 36 36 LEU CA C 13 58.49 0.1 . 1 . . . . 36 LEU CA . 26889 1 361 . 1 1 36 36 LEU CB C 13 40.04 0.1 . 1 . . . . 36 LEU CB . 26889 1 362 . 1 1 36 36 LEU CG C 13 27.86 0.1 . 1 . . . . 36 LEU CG . 26889 1 363 . 1 1 36 36 LEU CD1 C 13 24.36 0.1 . 2 . . . . 36 LEU CD1 . 26889 1 364 . 1 1 36 36 LEU CD2 C 13 21.69 0.1 . 2 . . . . 36 LEU CD2 . 26889 1 365 . 1 1 37 37 TYR H H 1 8.61 0.015 . 1 . . . . 37 TYR H . 26889 1 366 . 1 1 37 37 TYR HA H 1 4.65 0.015 . 1 . . . . 37 TYR HA . 26889 1 367 . 1 1 37 37 TYR HB2 H 1 2.97 0.015 . 2 . . . . 37 TYR HB2 . 26889 1 368 . 1 1 37 37 TYR HB3 H 1 2.84 0.015 . 2 . . . . 37 TYR HB3 . 26889 1 369 . 1 1 37 37 TYR HD1 H 1 7.19 0.015 . 3 . . . . 37 TYR HD1 . 26889 1 370 . 1 1 37 37 TYR HD2 H 1 7.19 0.015 . 3 . . . . 37 TYR HD2 . 26889 1 371 . 1 1 37 37 TYR HE1 H 1 7.0 0.015 . 3 . . . . 37 TYR HE1 . 26889 1 372 . 1 1 37 37 TYR HE2 H 1 7.0 0.015 . 3 . . . . 37 TYR HE2 . 26889 1 373 . 1 1 37 37 TYR CA C 13 56.59 0.1 . 1 . . . . 37 TYR CA . 26889 1 374 . 1 1 37 37 TYR CB C 13 37.76 0.1 . 1 . . . . 37 TYR CB . 26889 1 375 . 1 1 37 37 TYR CD1 C 13 129.84 0.1 . 3 . . . . 37 TYR CD1 . 26889 1 376 . 1 1 37 37 TYR CD2 C 13 129.84 0.1 . 3 . . . . 37 TYR CD2 . 26889 1 377 . 1 1 37 37 TYR CE1 C 13 118.94 0.1 . 3 . . . . 37 TYR CE1 . 26889 1 378 . 1 1 37 37 TYR CE2 C 13 118.94 0.1 . 3 . . . . 37 TYR CE2 . 26889 1 379 . 1 1 38 38 LEU H H 1 7.44 0.015 . 1 . . . . 38 LEU H . 26889 1 380 . 1 1 38 38 LEU HA H 1 4.12 0.015 . 1 . . . . 38 LEU HA . 26889 1 381 . 1 1 38 38 LEU HB2 H 1 1.44 0.015 . 2 . . . . 38 LEU HB2 . 26889 1 382 . 1 1 38 38 LEU HB3 H 1 2.03 0.015 . 2 . . . . 38 LEU HB3 . 26889 1 383 . 1 1 38 38 LEU HG H 1 1.75 0.015 . 1 . . . . 38 LEU HG . 26889 1 384 . 1 1 38 38 LEU HD11 H 1 1.08 0.015 . 2 . . . . 38 LEU MD1 . 26889 1 385 . 1 1 38 38 LEU HD12 H 1 1.08 0.015 . 2 . . . . 38 LEU MD1 . 26889 1 386 . 1 1 38 38 LEU HD13 H 1 1.08 0.015 . 2 . . . . 38 LEU MD1 . 26889 1 387 . 1 1 38 38 LEU HD21 H 1 1.0 0.015 . 2 . . . . 38 LEU MD2 . 26889 1 388 . 1 1 38 38 LEU HD22 H 1 1.0 0.015 . 2 . . . . 38 LEU MD2 . 26889 1 389 . 1 1 38 38 LEU HD23 H 1 1.0 0.015 . 2 . . . . 38 LEU MD2 . 26889 1 390 . 1 1 38 38 LEU CA C 13 61.87 0.1 . 1 . . . . 38 LEU CA . 26889 1 391 . 1 1 38 38 LEU CB C 13 42.36 0.1 . 1 . . . . 38 LEU CB . 26889 1 392 . 1 1 38 38 LEU CG C 13 26.86 0.1 . 1 . . . . 38 LEU CG . 26889 1 393 . 1 1 38 38 LEU CD1 C 13 23.22 0.1 . 2 . . . . 38 LEU CD1 . 26889 1 394 . 1 1 38 38 LEU CD2 C 13 25.72 0.1 . 2 . . . . 38 LEU CD2 . 26889 1 395 . 1 1 39 39 VAL H H 1 8.56 0.015 . 1 . . . . 39 VAL H . 26889 1 396 . 1 1 39 39 VAL HA H 1 3.82 0.015 . 1 . . . . 39 VAL HA . 26889 1 397 . 1 1 39 39 VAL HB H 1 1.92 0.015 . 1 . . . . 39 VAL HB . 26889 1 398 . 1 1 39 39 VAL HG11 H 1 0.92 0.015 . 2 . . . . 39 VAL MG1 . 26889 1 399 . 1 1 39 39 VAL HG12 H 1 0.92 0.015 . 2 . . . . 39 VAL MG1 . 26889 1 400 . 1 1 39 39 VAL HG13 H 1 0.92 0.015 . 2 . . . . 39 VAL MG1 . 26889 1 401 . 1 1 39 39 VAL HG21 H 1 0.99 0.015 . 2 . . . . 39 VAL MG2 . 26889 1 402 . 1 1 39 39 VAL HG22 H 1 0.99 0.015 . 2 . . . . 39 VAL MG2 . 26889 1 403 . 1 1 39 39 VAL HG23 H 1 0.99 0.015 . 2 . . . . 39 VAL MG2 . 26889 1 404 . 1 1 39 39 VAL CA C 13 65.18 0.1 . 1 . . . . 39 VAL CA . 26889 1 405 . 1 1 39 39 VAL CB C 13 27.33 0.1 . 1 . . . . 39 VAL CB . 26889 1 406 . 1 1 39 39 VAL CG1 C 13 20.37 0.1 . 2 . . . . 39 VAL CG1 . 26889 1 407 . 1 1 39 39 VAL CG2 C 13 23.04 0.1 . 2 . . . . 39 VAL CG2 . 26889 1 408 . 1 1 40 40 CYS H H 1 8.6 0.015 . 1 . . . . 40 CYS H . 26889 1 409 . 1 1 40 40 CYS HA H 1 4.79 0.015 . 1 . . . . 40 CYS HA . 26889 1 410 . 1 1 40 40 CYS HB2 H 1 3.03 0.015 . 2 . . . . 40 CYS HB2 . 26889 1 411 . 1 1 40 40 CYS HB3 H 1 3.52 0.015 . 2 . . . . 40 CYS HB3 . 26889 1 412 . 1 1 40 40 CYS CA C 13 54.68 0.1 . 1 . . . . 40 CYS CA . 26889 1 413 . 1 1 40 40 CYS CB C 13 44.38 0.1 . 1 . . . . 40 CYS CB . 26889 1 414 . 1 1 41 41 GLY H H 1 7.36 0.015 . 1 . . . . 41 GLY H . 26889 1 415 . 1 1 41 41 GLY HA2 H 1 3.97 0.015 . 2 . . . . 41 GLY HA2 . 26889 1 416 . 1 1 41 41 GLY HA3 H 1 3.87 0.015 . 2 . . . . 41 GLY HA3 . 26889 1 417 . 1 1 41 41 GLY CA C 13 47.11 0.1 . 1 . . . . 41 GLY CA . 26889 1 418 . 1 1 42 42 GLU H H 1 9.15 0.015 . 1 . . . . 42 GLU H . 26889 1 419 . 1 1 42 42 GLU HA H 1 4.18 0.015 . 1 . . . . 42 GLU HA . 26889 1 420 . 1 1 42 42 GLU HB2 H 1 2.11 0.015 . 2 . . . . 42 GLU HB2 . 26889 1 421 . 1 1 42 42 GLU HB3 H 1 2.25 0.015 . 2 . . . . 42 GLU HB3 . 26889 1 422 . 1 1 42 42 GLU HG2 H 1 2.58 0.015 . 2 . . . . 42 GLU HG2 . 26889 1 423 . 1 1 42 42 GLU HG3 H 1 2.62 0.015 . 2 . . . . 42 GLU HG3 . 26889 1 424 . 1 1 42 42 GLU CA C 13 60.21 0.1 . 1 . . . . 42 GLU CA . 26889 1 425 . 1 1 42 42 GLU CB C 13 33.13 0.1 . 1 . . . . 42 GLU CB . 26889 1 426 . 1 1 42 42 GLU CG C 13 32.19 0.1 . 1 . . . . 42 GLU CG . 26889 1 427 . 1 1 43 43 ARG H H 1 8.04 0.015 . 1 . . . . 43 ARG H . 26889 1 428 . 1 1 43 43 ARG HA H 1 4.15 0.015 . 1 . . . . 43 ARG HA . 26889 1 429 . 1 1 43 43 ARG HB2 H 1 1.66 0.015 . 2 . . . . 43 ARG HB2 . 26889 1 430 . 1 1 43 43 ARG HB3 H 1 1.75 0.015 . 2 . . . . 43 ARG HB3 . 26889 1 431 . 1 1 43 43 ARG HG2 H 1 1.39 0.015 . 2 . . . . 43 ARG HG2 . 26889 1 432 . 1 1 43 43 ARG HG3 H 1 1.43 0.015 . 2 . . . . 43 ARG HG3 . 26889 1 433 . 1 1 43 43 ARG HD2 H 1 2.95 0.015 . 2 . . . . 43 ARG HD2 . 26889 1 434 . 1 1 43 43 ARG HD3 H 1 3.07 0.015 . 2 . . . . 43 ARG HD3 . 26889 1 435 . 1 1 43 43 ARG HE H 1 7.45 0.015 . 1 . . . . 43 ARG HE . 26889 1 436 . 1 1 43 43 ARG HH11 H 1 6.84 0.015 . 1 . . . . 43 ARG HH11 . 26889 1 437 . 1 1 43 43 ARG HH12 H 1 6.84 0.015 . 1 . . . . 43 ARG HH12 . 26889 1 438 . 1 1 43 43 ARG HH21 H 1 6.84 0.015 . 1 . . . . 43 ARG HH21 . 26889 1 439 . 1 1 43 43 ARG HH22 H 1 6.84 0.015 . 1 . . . . 43 ARG HH22 . 26889 1 440 . 1 1 43 43 ARG CA C 13 59.64 0.1 . 1 . . . . 43 ARG CA . 26889 1 441 . 1 1 43 43 ARG CB C 13 33.47 0.1 . 1 . . . . 43 ARG CB . 26889 1 442 . 1 1 43 43 ARG CG C 13 26.85 0.1 . 1 . . . . 43 ARG CG . 26889 1 443 . 1 1 43 43 ARG CD C 13 48.42 0.1 . 1 . . . . 43 ARG CD . 26889 1 444 . 1 1 44 44 GLY H H 1 7.42 0.015 . 1 . . . . 44 GLY H . 26889 1 445 . 1 1 44 44 GLY HA2 H 1 3.83 0.015 . 2 . . . . 44 GLY HA2 . 26889 1 446 . 1 1 44 44 GLY HA3 H 1 3.93 0.015 . 2 . . . . 44 GLY HA3 . 26889 1 447 . 1 1 44 44 GLY CA C 13 47.05 0.1 . 1 . . . . 44 GLY CA . 26889 1 448 . 1 1 45 45 PHE H H 1 8.71 0.015 . 1 . . . . 45 PHE H . 26889 1 449 . 1 1 45 45 PHE HA H 1 5.42 0.015 . 1 . . . . 45 PHE HA . 26889 1 450 . 1 1 45 45 PHE HB2 H 1 3.1 0.015 . 2 . . . . 45 PHE HB2 . 26889 1 451 . 1 1 45 45 PHE HB3 H 1 3.44 0.015 . 2 . . . . 45 PHE HB3 . 26889 1 452 . 1 1 45 45 PHE HD1 H 1 6.82 0.015 . 3 . . . . 45 PHE HD1 . 26889 1 453 . 1 1 45 45 PHE HD2 H 1 6.82 0.015 . 3 . . . . 45 PHE HD2 . 26889 1 454 . 1 1 45 45 PHE HE1 H 1 7.09 0.015 . 3 . . . . 45 PHE HE1 . 26889 1 455 . 1 1 45 45 PHE HE2 H 1 7.09 0.015 . 3 . . . . 45 PHE HE2 . 26889 1 456 . 1 1 45 45 PHE HZ H 1 7.00 0.015 . 1 . . . . 45 PHE HZ . 26889 1 457 . 1 1 45 45 PHE CA C 13 57.54 0.1 . 1 . . . . 45 PHE CA . 26889 1 458 . 1 1 45 45 PHE CB C 13 39.72 0.1 . 1 . . . . 45 PHE CB . 26889 1 459 . 1 1 45 45 PHE CD1 C 13 130.65 0.1 . 3 . . . . 45 PHE CD1 . 26889 1 460 . 1 1 45 45 PHE CD2 C 13 130.65 0.1 . 3 . . . . 45 PHE CD2 . 26889 1 461 . 1 1 45 45 PHE CE1 C 13 133.04 0.1 . 3 . . . . 45 PHE CE1 . 26889 1 462 . 1 1 45 45 PHE CE2 C 13 133.04 0.1 . 3 . . . . 45 PHE CE2 . 26889 1 463 . 1 1 45 45 PHE CZ C 13 133.11 0.1 . 1 . . . . 45 PHE CZ . 26889 1 464 . 1 1 46 46 PHE H H 1 8.58 0.015 . 1 . . . . 46 PHE H . 26889 1 465 . 1 1 46 46 PHE HA H 1 5.09 0.015 . 1 . . . . 46 PHE HA . 26889 1 466 . 1 1 46 46 PHE HB2 H 1 3.0 0.015 . 2 . . . . 46 PHE HB2 . 26889 1 467 . 1 1 46 46 PHE HB3 H 1 2.79 0.015 . 2 . . . . 46 PHE HB3 . 26889 1 468 . 1 1 46 46 PHE HD1 H 1 7.21 0.015 . 3 . . . . 46 PHE HD1 . 26889 1 469 . 1 1 46 46 PHE HD2 H 1 7.21 0.015 . 3 . . . . 46 PHE HD2 . 26889 1 470 . 1 1 46 46 PHE HE1 H 1 7.36 0.015 . 3 . . . . 46 PHE HE1 . 26889 1 471 . 1 1 46 46 PHE HE2 H 1 7.36 0.015 . 3 . . . . 46 PHE HE2 . 26889 1 472 . 1 1 46 46 PHE HZ H 1 7.28 0.015 . 1 . . . . 46 PHE HZ . 26889 1 473 . 1 1 46 46 PHE CA C 13 55.82 0.1 . 1 . . . . 46 PHE CA . 26889 1 474 . 1 1 46 46 PHE CB C 13 42.08 0.1 . 1 . . . . 46 PHE CB . 26889 1 475 . 1 1 46 46 PHE CD1 C 13 131.75 0.1 . 3 . . . . 46 PHE CD1 . 26889 1 476 . 1 1 46 46 PHE CD2 C 13 131.75 0.1 . 3 . . . . 46 PHE CD2 . 26889 1 477 . 1 1 46 46 PHE CE1 C 13 132.09 0.1 . 3 . . . . 46 PHE CE1 . 26889 1 478 . 1 1 46 46 PHE CE2 C 13 132.09 0.1 . 3 . . . . 46 PHE CE2 . 26889 1 479 . 1 1 46 46 PHE CZ C 13 130.51 0.1 . 1 . . . . 46 PHE CZ . 26889 1 480 . 1 1 47 47 TYR H H 1 8.66 0.015 . 1 . . . . 47 TYR H . 26889 1 481 . 1 1 47 47 TYR HA H 1 4.78 0.015 . 1 . . . . 47 TYR HA . 26889 1 482 . 1 1 47 47 TYR HB2 H 1 2.99 0.015 . 2 . . . . 47 TYR HB2 . 26889 1 483 . 1 1 47 47 TYR HB3 H 1 3.09 0.015 . 2 . . . . 47 TYR HB3 . 26889 1 484 . 1 1 47 47 TYR HD1 H 1 7.0 0.015 . 3 . . . . 47 TYR HD1 . 26889 1 485 . 1 1 47 47 TYR HD2 H 1 7.0 0.015 . 3 . . . . 47 TYR HD2 . 26889 1 486 . 1 1 47 47 TYR HE1 H 1 6.62 0.015 . 3 . . . . 47 TYR HE1 . 26889 1 487 . 1 1 47 47 TYR HE2 H 1 6.62 0.015 . 3 . . . . 47 TYR HE2 . 26889 1 488 . 1 1 47 47 TYR CA C 13 55.80 0.1 . 1 . . . . 47 TYR CA . 26889 1 489 . 1 1 47 47 TYR CB C 13 37.75 0.1 . 1 . . . . 47 TYR CB . 26889 1 490 . 1 1 47 47 TYR CD1 C 13 132.58 0.1 . 3 . . . . 47 TYR CD1 . 26889 1 491 . 1 1 47 47 TYR CD2 C 13 132.58 0.1 . 3 . . . . 47 TYR CD2 . 26889 1 492 . 1 1 47 47 TYR CE1 C 13 117.73 0.1 . 3 . . . . 47 TYR CE1 . 26889 1 493 . 1 1 47 47 TYR CE2 C 13 117.73 0.1 . 3 . . . . 47 TYR CE2 . 26889 1 494 . 1 1 48 48 THR H H 1 7.14 0.015 . 1 . . . . 48 THR H . 26889 1 495 . 1 1 48 48 THR HA H 1 5.0 0.015 . 1 . . . . 48 THR HA . 26889 1 496 . 1 1 48 48 THR HB H 1 3.85 0.015 . 1 . . . . 48 THR HB . 26889 1 497 . 1 1 48 48 THR HG21 H 1 1.0 0.015 . 1 . . . . 48 THR MG . 26889 1 498 . 1 1 48 48 THR HG22 H 1 1.0 0.015 . 1 . . . . 48 THR MG . 26889 1 499 . 1 1 48 48 THR HG23 H 1 1.0 0.015 . 1 . . . . 48 THR MG . 26889 1 500 . 1 1 48 48 THR CA C 13 55.79 0.1 . 1 . . . . 48 THR CA . 26889 1 501 . 1 1 48 48 THR CB C 13 71.43 0.1 . 1 . . . . 48 THR CB . 26889 1 502 . 1 1 48 48 THR CG2 C 13 18.92 0.1 . 1 . . . . 48 THR CG2 . 26889 1 503 . 1 1 49 49 PRO HA H 1 4.34 0.015 . 1 . . . . 49 PRO HA . 26889 1 504 . 1 1 49 49 PRO HB2 H 1 2.23 0.015 . 1 . . . . 49 PRO HB2 . 26889 1 505 . 1 1 49 49 PRO HB3 H 1 2.23 0.015 . 1 . . . . 49 PRO HB3 . 26889 1 506 . 1 1 49 49 PRO HG2 H 1 1.9 0.015 . 1 . . . . 49 PRO HG2 . 26889 1 507 . 1 1 49 49 PRO HG3 H 1 2.12 0.015 . 1 . . . . 49 PRO HG3 . 26889 1 508 . 1 1 49 49 PRO HD2 H 1 3.58 0.015 . 1 . . . . 49 PRO HD2 . 26889 1 509 . 1 1 49 49 PRO HD3 H 1 3.64 0.015 . 1 . . . . 49 PRO HD3 . 26889 1 510 . 1 1 49 49 PRO CA C 13 69.42 0.1 . 1 . . . . 49 PRO CA . 26889 1 511 . 1 1 49 49 PRO CB C 13 33.99 0.1 . 1 . . . . 49 PRO CB . 26889 1 512 . 1 1 49 49 PRO CG C 13 33.11 0.1 . 1 . . . . 49 PRO CG . 26889 1 513 . 1 1 49 49 PRO CD C 13 57.43 0.1 . 1 . . . . 49 PRO CD . 26889 1 514 . 1 1 50 50 LYS H H 1 8.4 0.015 . 1 . . . . 50 LYS H . 26889 1 515 . 1 1 50 50 LYS HA H 1 4.35 0.015 . 1 . . . . 50 LYS HA . 26889 1 516 . 1 1 50 50 LYS HB2 H 1 1.80 0.015 . 2 . . . . 50 LYS HB2 . 26889 1 517 . 1 1 50 50 LYS HB3 H 1 1.93 0.015 . 2 . . . . 50 LYS HB3 . 26889 1 518 . 1 1 50 50 LYS HG2 H 1 1.45 0.015 . 2 . . . . 50 LYS HG2 . 26889 1 519 . 1 1 50 50 LYS HG3 H 1 1.53 0.015 . 2 . . . . 50 LYS HG3 . 26889 1 520 . 1 1 50 50 LYS HD2 H 1 1.71 0.015 . 1 . . . . 50 LYS HD2 . 26889 1 521 . 1 1 50 50 LYS HD3 H 1 1.71 0.015 . 1 . . . . 50 LYS HD3 . 26889 1 522 . 1 1 50 50 LYS HE2 H 1 3.02 0.015 . 1 . . . . 50 LYS HE2 . 26889 1 523 . 1 1 50 50 LYS HE3 H 1 3.02 0.015 . 1 . . . . 50 LYS HE3 . 26889 1 524 . 1 1 50 50 LYS HZ1 H 1 7.57 0.015 . 1 . . . . 50 LYS QZ . 26889 1 525 . 1 1 50 50 LYS HZ2 H 1 7.57 0.015 . 1 . . . . 50 LYS QZ . 26889 1 526 . 1 1 50 50 LYS HZ3 H 1 7.57 0.015 . 1 . . . . 50 LYS QZ . 26889 1 527 . 1 1 50 50 LYS CA C 13 57.18 0.1 . 1 . . . . 50 LYS CA . 26889 1 528 . 1 1 50 50 LYS CB C 13 32.61 0.1 . 1 . . . . 50 LYS CB . 26889 1 529 . 1 1 50 50 LYS CG C 13 24.79 0.1 . 1 . . . . 50 LYS CG . 26889 1 530 . 1 1 50 50 LYS CD C 13 26.85 0.1 . 1 . . . . 50 LYS CD . 26889 1 531 . 1 1 50 50 LYS CE C 13 45.13 0.1 . 1 . . . . 50 LYS CE . 26889 1 532 . 1 1 51 51 ALA H H 1 7.93 0.015 . 1 . . . . 51 ALA H . 26889 1 533 . 1 1 51 51 ALA HA H 1 4.29 0.015 . 1 . . . . 51 ALA HA . 26889 1 534 . 1 1 51 51 ALA HB1 H 1 1.46 0.015 . 1 . . . . 51 ALA MB . 26889 1 535 . 1 1 51 51 ALA HB2 H 1 1.46 0.015 . 1 . . . . 51 ALA MB . 26889 1 536 . 1 1 51 51 ALA HB3 H 1 1.46 0.015 . 1 . . . . 51 ALA MB . 26889 1 537 . 1 1 51 51 ALA CA C 13 51.76 0.1 . 1 . . . . 51 ALA CA . 26889 1 538 . 1 1 51 51 ALA CB C 13 19.50 0.1 . 1 . . . . 51 ALA CB . 26889 1 stop_ save_