data_34636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34636 _Entry.Title ; Structure and folding of a 600-million-year-old nuclear coactivator binding domain suggest conservation of dynamic properties ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-09 _Entry.Accession_date 2021-06-09 _Entry.Last_release_date 2021-07-01 _Entry.Original_release_date 2021-07-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 C. Chi C. . . . 34636 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34636 'Nuclear co-activator binding domain' . 34636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 139 34636 '15N chemical shifts' 44 34636 '1H chemical shifts' 283 34636 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-02 2021-06-09 update BMRB 'update entry citation' 34636 1 . . 2022-04-15 2021-06-09 original author 'original release' 34636 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7OSW 'BMRB Entry Tracking System' 34636 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34636 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35354917 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _Citation.Journal_CSD 0353 _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 286 _Citation.Page_last 286 _Citation.Year 2022 _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 Elin Karlsson E. . . . 34636 1 2 Frieda Sorgenfrei F. A. . . 34636 1 3 Eva Andersson E. . . . 34636 1 4 Jakob Dogan J. . . . 34636 1 5 Per Jemth P. . . . 34636 1 6 Celestine Chi C. N. . . 34636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34636 _Assembly.ID 1 _Assembly.Name NCBD _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 unit_1 1 $entity_1 A A yes . . . . . . 34636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSIMPPALQQLLQTLKSPNS PQQQQQVLHILKSNPQLMAA FIKQRSQQQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5655.529 _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 2060 GLY . 34636 1 2 2061 SER . 34636 1 3 2062 ILE . 34636 1 4 2063 MET . 34636 1 5 2064 PRO . 34636 1 6 2065 PRO . 34636 1 7 2066 ALA . 34636 1 8 2067 LEU . 34636 1 9 2068 GLN . 34636 1 10 2069 GLN . 34636 1 11 2070 LEU . 34636 1 12 2071 LEU . 34636 1 13 2072 GLN . 34636 1 14 2073 THR . 34636 1 15 2074 LEU . 34636 1 16 2075 LYS . 34636 1 17 2076 SER . 34636 1 18 2077 PRO . 34636 1 19 2078 ASN . 34636 1 20 2079 SER . 34636 1 21 2080 PRO . 34636 1 22 2081 GLN . 34636 1 23 2082 GLN . 34636 1 24 2083 GLN . 34636 1 25 2084 GLN . 34636 1 26 2085 GLN . 34636 1 27 2086 VAL . 34636 1 28 2087 LEU . 34636 1 29 2088 HIS . 34636 1 30 2089 ILE . 34636 1 31 2090 LEU . 34636 1 32 2091 LYS . 34636 1 33 2092 SER . 34636 1 34 2093 ASN . 34636 1 35 2094 PRO . 34636 1 36 2095 GLN . 34636 1 37 2096 LEU . 34636 1 38 2097 MET . 34636 1 39 2098 ALA . 34636 1 40 2099 ALA . 34636 1 41 2100 PHE . 34636 1 42 2101 ILE . 34636 1 43 2102 LYS . 34636 1 44 2103 GLN . 34636 1 45 2104 ARG . 34636 1 46 2105 SER . 34636 1 47 2106 GLN . 34636 1 48 2107 GLN . 34636 1 49 2108 GLN . 34636 1 50 2109 GLN . 34636 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 34636 1 . SER 2 2 34636 1 . ILE 3 3 34636 1 . MET 4 4 34636 1 . PRO 5 5 34636 1 . PRO 6 6 34636 1 . ALA 7 7 34636 1 . LEU 8 8 34636 1 . GLN 9 9 34636 1 . GLN 10 10 34636 1 . LEU 11 11 34636 1 . LEU 12 12 34636 1 . GLN 13 13 34636 1 . THR 14 14 34636 1 . LEU 15 15 34636 1 . LYS 16 16 34636 1 . SER 17 17 34636 1 . PRO 18 18 34636 1 . ASN 19 19 34636 1 . SER 20 20 34636 1 . PRO 21 21 34636 1 . GLN 22 22 34636 1 . GLN 23 23 34636 1 . GLN 24 24 34636 1 . GLN 25 25 34636 1 . GLN 26 26 34636 1 . VAL 27 27 34636 1 . LEU 28 28 34636 1 . HIS 29 29 34636 1 . ILE 30 30 34636 1 . LEU 31 31 34636 1 . LYS 32 32 34636 1 . SER 33 33 34636 1 . ASN 34 34 34636 1 . PRO 35 35 34636 1 . GLN 36 36 34636 1 . LEU 37 37 34636 1 . MET 38 38 34636 1 . ALA 39 39 34636 1 . ALA 40 40 34636 1 . PHE 41 41 34636 1 . ILE 42 42 34636 1 . LYS 43 43 34636 1 . GLN 44 44 34636 1 . ARG 45 45 34636 1 . SER 46 46 34636 1 . GLN 47 47 34636 1 . GLN 48 48 34636 1 . GLN 49 49 34636 1 . GLN 50 50 34636 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 34636 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34636 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 34636 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34636 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-10% 13C; U-99% 15N] NCBD, 90% H2O/10% D2O' _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 NCBD '[U-10% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34636 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 34636 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 34636 1 pH 6.8 . pH 34636 1 pressure 1 . Pa 34636 1 temperature 298 . K 34636 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34636 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 34636 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34636 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34636 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 34636 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 34636 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 34636 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 5 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 6 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34636 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34636 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.7 internal indirect 0.251 . . . . . 34636 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34636 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 34636 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D 1H-13C NOESY' . . . 34636 1 2 '3D 1H-15N NOESY' . . . 34636 1 3 '3D HBHA(CO)NH' . . . 34636 1 4 '3D HNCACB' . . . 34636 1 5 '3D HN(COCA)CB' . . . 34636 1 6 '3D HNHA' . . . 34636 1 7 '2D 1H-15N HSQC' . . . 34636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 SER H H 1 7.772 0.004 . . . . . . A 2061 SER H . 34636 1 2 . 1 . 1 2 2 SER HA H 1 4.065 0.007 . . . . . . A 2061 SER HA . 34636 1 3 . 1 . 1 2 2 SER CA C 13 54.896 0.000 . . . . . . A 2061 SER CA . 34636 1 4 . 1 . 1 2 2 SER CB C 13 60.791 0.000 . . . . . . A 2061 SER CB . 34636 1 5 . 1 . 1 2 2 SER N N 15 116.820 0.028 . . . . . . A 2061 SER N . 34636 1 6 . 1 . 1 3 3 ILE H H 1 8.247 0.007 . . . . . . A 2062 ILE H . 34636 1 7 . 1 . 1 3 3 ILE HA H 1 4.138 0.010 . . . . . . A 2062 ILE HA . 34636 1 8 . 1 . 1 3 3 ILE HB H 1 1.784 0.012 . . . . . . A 2062 ILE HB . 34636 1 9 . 1 . 1 3 3 ILE HG12 H 1 1.114 0.012 . . . . . . A 2062 ILE HG12 . 34636 1 10 . 1 . 1 3 3 ILE HG13 H 1 1.383 0.010 . . . . . . A 2062 ILE HG13 . 34636 1 11 . 1 . 1 3 3 ILE HG21 H 1 0.814 0.011 . . . . . . A 2062 ILE HG21 . 34636 1 12 . 1 . 1 3 3 ILE HG22 H 1 0.814 0.011 . . . . . . A 2062 ILE HG22 . 34636 1 13 . 1 . 1 3 3 ILE HG23 H 1 0.814 0.011 . . . . . . A 2062 ILE HG23 . 34636 1 14 . 1 . 1 3 3 ILE HD11 H 1 0.776 0.009 . . . . . . A 2062 ILE HD11 . 34636 1 15 . 1 . 1 3 3 ILE HD12 H 1 0.776 0.009 . . . . . . A 2062 ILE HD12 . 34636 1 16 . 1 . 1 3 3 ILE HD13 H 1 0.776 0.009 . . . . . . A 2062 ILE HD13 . 34636 1 17 . 1 . 1 3 3 ILE CA C 13 58.098 0.016 . . . . . . A 2062 ILE CA . 34636 1 18 . 1 . 1 3 3 ILE CB C 13 36.018 0.165 . . . . . . A 2062 ILE CB . 34636 1 19 . 1 . 1 3 3 ILE CG1 C 13 24.499 0.076 . . . . . . A 2062 ILE CG1 . 34636 1 20 . 1 . 1 3 3 ILE CG2 C 13 14.665 0.048 . . . . . . A 2062 ILE CG2 . 34636 1 21 . 1 . 1 3 3 ILE CD1 C 13 10.264 0.062 . . . . . . A 2062 ILE CD1 . 34636 1 22 . 1 . 1 3 3 ILE N N 15 122.402 0.050 . . . . . . A 2062 ILE N . 34636 1 23 . 1 . 1 4 4 MET H H 1 8.399 0.004 . . . . . . A 2063 MET H . 34636 1 24 . 1 . 1 4 4 MET HA H 1 4.694 0.012 . . . . . . A 2063 MET HA . 34636 1 25 . 1 . 1 4 4 MET HB2 H 1 1.861 0.018 . . . . . . A 2063 MET HB2 . 34636 1 26 . 1 . 1 4 4 MET HB3 H 1 1.919 0.018 . . . . . . A 2063 MET HB3 . 34636 1 27 . 1 . 1 4 4 MET HG2 H 1 2.468 0.011 . . . . . . A 2063 MET HG2 . 34636 1 28 . 1 . 1 4 4 MET HE1 H 1 1.957 0.019 . . . . . . A 2063 MET HE1 . 34636 1 29 . 1 . 1 4 4 MET HE2 H 1 1.957 0.019 . . . . . . A 2063 MET HE2 . 34636 1 30 . 1 . 1 4 4 MET HE3 H 1 1.957 0.019 . . . . . . A 2063 MET HE3 . 34636 1 31 . 1 . 1 4 4 MET CA C 13 50.349 0.133 . . . . . . A 2063 MET CA . 34636 1 32 . 1 . 1 4 4 MET CB C 13 30.411 0.115 . . . . . . A 2063 MET CB . 34636 1 33 . 1 . 1 4 4 MET CG C 13 29.415 0.121 . . . . . . A 2063 MET CG . 34636 1 34 . 1 . 1 4 4 MET CE C 13 14.323 0.103 . . . . . . A 2063 MET CE . 34636 1 35 . 1 . 1 4 4 MET N N 15 125.535 0.039 . . . . . . A 2063 MET N . 34636 1 36 . 1 . 1 6 6 PRO HA H 1 4.228 0.011 . . . . . . A 2065 PRO HA . 34636 1 37 . 1 . 1 6 6 PRO HB2 H 1 2.318 0.008 . . . . . . A 2065 PRO HB2 . 34636 1 38 . 1 . 1 6 6 PRO HB3 H 1 2.093 0.006 . . . . . . A 2065 PRO HB3 . 34636 1 39 . 1 . 1 6 6 PRO HG2 H 1 1.917 0.026 . . . . . . A 2065 PRO HG2 . 34636 1 40 . 1 . 1 6 6 PRO HG3 H 1 2.015 0.021 . . . . . . A 2065 PRO HG3 . 34636 1 41 . 1 . 1 6 6 PRO HD2 H 1 3.869 0.013 . . . . . . A 2065 PRO HD2 . 34636 1 42 . 1 . 1 6 6 PRO HD3 H 1 3.715 0.015 . . . . . . A 2065 PRO HD3 . 34636 1 43 . 1 . 1 6 6 PRO CA C 13 62.482 0.179 . . . . . . A 2065 PRO CA . 34636 1 44 . 1 . 1 6 6 PRO CB C 13 29.156 0.142 . . . . . . A 2065 PRO CB . 34636 1 45 . 1 . 1 6 6 PRO CD C 13 47.958 0.060 . . . . . . A 2065 PRO CD . 34636 1 46 . 1 . 1 7 7 ALA H H 1 8.576 0.005 . . . . . . A 2066 ALA H . 34636 1 47 . 1 . 1 7 7 ALA HA H 1 4.105 0.012 . . . . . . A 2066 ALA HA . 34636 1 48 . 1 . 1 7 7 ALA HB1 H 1 1.311 0.013 . . . . . . A 2066 ALA HB1 . 34636 1 49 . 1 . 1 7 7 ALA HB2 H 1 1.311 0.013 . . . . . . A 2066 ALA HB2 . 34636 1 50 . 1 . 1 7 7 ALA HB3 H 1 1.311 0.013 . . . . . . A 2066 ALA HB3 . 34636 1 51 . 1 . 1 7 7 ALA CA C 13 51.898 0.162 . . . . . . A 2066 ALA CA . 34636 1 52 . 1 . 1 7 7 ALA CB C 13 15.955 0.198 . . . . . . A 2066 ALA CB . 34636 1 53 . 1 . 1 7 7 ALA N N 15 119.790 0.034 . . . . . . A 2066 ALA N . 34636 1 54 . 1 . 1 8 8 LEU H H 1 7.544 0.003 . . . . . . A 2067 LEU H . 34636 1 55 . 1 . 1 8 8 LEU HA H 1 4.074 0.015 . . . . . . A 2067 LEU HA . 34636 1 56 . 1 . 1 8 8 LEU HB2 H 1 1.571 0.019 . . . . . . A 2067 LEU HB2 . 34636 1 57 . 1 . 1 8 8 LEU HB3 H 1 1.744 0.011 . . . . . . A 2067 LEU HB3 . 34636 1 58 . 1 . 1 8 8 LEU HG H 1 1.430 0.000 . . . . . . A 2067 LEU HG . 34636 1 59 . 1 . 1 8 8 LEU HD11 H 1 0.864 0.009 . . . . . . A 2067 LEU HD11 . 34636 1 60 . 1 . 1 8 8 LEU HD12 H 1 0.864 0.009 . . . . . . A 2067 LEU HD12 . 34636 1 61 . 1 . 1 8 8 LEU HD13 H 1 0.864 0.009 . . . . . . A 2067 LEU HD13 . 34636 1 62 . 1 . 1 8 8 LEU CA C 13 54.279 0.179 . . . . . . A 2067 LEU CA . 34636 1 63 . 1 . 1 8 8 LEU CB C 13 38.439 0.004 . . . . . . A 2067 LEU CB . 34636 1 64 . 1 . 1 8 8 LEU CG C 13 22.319 0.000 . . . . . . A 2067 LEU CG . 34636 1 65 . 1 . 1 8 8 LEU CD1 C 13 21.152 0.046 . . . . . . A 2067 LEU CD1 . 34636 1 66 . 1 . 1 8 8 LEU N N 15 117.568 0.019 . . . . . . A 2067 LEU N . 34636 1 67 . 1 . 1 9 9 GLN H H 1 7.810 0.006 . . . . . . A 2068 GLN H . 34636 1 68 . 1 . 1 9 9 GLN HA H 1 3.890 0.009 . . . . . . A 2068 GLN HA . 34636 1 69 . 1 . 1 9 9 GLN HB2 H 1 2.008 0.018 . . . . . . A 2068 GLN HB2 . 34636 1 70 . 1 . 1 9 9 GLN HB3 H 1 2.064 0.022 . . . . . . A 2068 GLN HB3 . 34636 1 71 . 1 . 1 9 9 GLN HG2 H 1 2.276 0.008 . . . . . . A 2068 GLN HG2 . 34636 1 72 . 1 . 1 9 9 GLN CA C 13 56.532 0.129 . . . . . . A 2068 GLN CA . 34636 1 73 . 1 . 1 9 9 GLN CB C 13 25.298 0.295 . . . . . . A 2068 GLN CB . 34636 1 74 . 1 . 1 9 9 GLN N N 15 118.483 0.014 . . . . . . A 2068 GLN N . 34636 1 75 . 1 . 1 10 10 GLN H H 1 8.160 0.008 . . . . . . A 2069 GLN H . 34636 1 76 . 1 . 1 10 10 GLN HA H 1 3.831 0.008 . . . . . . A 2069 GLN HA . 34636 1 77 . 1 . 1 10 10 GLN HB2 H 1 2.083 0.009 . . . . . . A 2069 GLN HB2 . 34636 1 78 . 1 . 1 10 10 GLN HG2 H 1 2.402 0.009 . . . . . . A 2069 GLN HG2 . 34636 1 79 . 1 . 1 10 10 GLN HG3 H 1 2.275 0.015 . . . . . . A 2069 GLN HG3 . 34636 1 80 . 1 . 1 10 10 GLN CA C 13 56.323 0.139 . . . . . . A 2069 GLN CA . 34636 1 81 . 1 . 1 10 10 GLN CB C 13 25.263 0.323 . . . . . . A 2069 GLN CB . 34636 1 82 . 1 . 1 10 10 GLN N N 15 118.635 0.011 . . . . . . A 2069 GLN N . 34636 1 83 . 1 . 1 11 11 LEU H H 1 7.900 0.004 . . . . . . A 2070 LEU H . 34636 1 84 . 1 . 1 11 11 LEU HA H 1 3.993 0.014 . . . . . . A 2070 LEU HA . 34636 1 85 . 1 . 1 11 11 LEU HB2 H 1 1.669 0.022 . . . . . . A 2070 LEU HB2 . 34636 1 86 . 1 . 1 11 11 LEU HB3 H 1 1.856 0.013 . . . . . . A 2070 LEU HB3 . 34636 1 87 . 1 . 1 11 11 LEU HD11 H 1 0.757 0.012 . . . . . . A 2070 LEU HD11 . 34636 1 88 . 1 . 1 11 11 LEU HD12 H 1 0.757 0.012 . . . . . . A 2070 LEU HD12 . 34636 1 89 . 1 . 1 11 11 LEU HD13 H 1 0.757 0.012 . . . . . . A 2070 LEU HD13 . 34636 1 90 . 1 . 1 11 11 LEU HD21 H 1 0.809 0.014 . . . . . . A 2070 LEU HD21 . 34636 1 91 . 1 . 1 11 11 LEU HD22 H 1 0.809 0.014 . . . . . . A 2070 LEU HD22 . 34636 1 92 . 1 . 1 11 11 LEU HD23 H 1 0.809 0.014 . . . . . . A 2070 LEU HD23 . 34636 1 93 . 1 . 1 11 11 LEU CA C 13 55.467 0.092 . . . . . . A 2070 LEU CA . 34636 1 94 . 1 . 1 11 11 LEU CB C 13 38.994 0.138 . . . . . . A 2070 LEU CB . 34636 1 95 . 1 . 1 11 11 LEU CG C 13 24.268 0.033 . . . . . . A 2070 LEU CG . 34636 1 96 . 1 . 1 11 11 LEU CD2 C 13 21.883 0.162 . . . . . . A 2070 LEU CD2 . 34636 1 97 . 1 . 1 11 11 LEU N N 15 121.804 0.044 . . . . . . A 2070 LEU N . 34636 1 98 . 1 . 1 12 12 LEU H H 1 8.301 0.003 . . . . . . A 2071 LEU H . 34636 1 99 . 1 . 1 12 12 LEU HA H 1 3.909 0.013 . . . . . . A 2071 LEU HA . 34636 1 100 . 1 . 1 12 12 LEU HB2 H 1 1.768 0.014 . . . . . . A 2071 LEU HB2 . 34636 1 101 . 1 . 1 12 12 LEU HB3 H 1 1.462 0.018 . . . . . . A 2071 LEU HB3 . 34636 1 102 . 1 . 1 12 12 LEU HD11 H 1 0.767 0.017 . . . . . . A 2071 LEU HD11 . 34636 1 103 . 1 . 1 12 12 LEU HD12 H 1 0.767 0.017 . . . . . . A 2071 LEU HD12 . 34636 1 104 . 1 . 1 12 12 LEU HD13 H 1 0.767 0.017 . . . . . . A 2071 LEU HD13 . 34636 1 105 . 1 . 1 12 12 LEU CA C 13 55.145 0.182 . . . . . . A 2071 LEU CA . 34636 1 106 . 1 . 1 12 12 LEU CB C 13 38.467 0.253 . . . . . . A 2071 LEU CB . 34636 1 107 . 1 . 1 12 12 LEU CD1 C 13 20.278 0.124 . . . . . . A 2071 LEU CD1 . 34636 1 108 . 1 . 1 12 12 LEU N N 15 118.368 0.012 . . . . . . A 2071 LEU N . 34636 1 109 . 1 . 1 13 13 GLN H H 1 7.925 0.003 . . . . . . A 2072 GLN H . 34636 1 110 . 1 . 1 13 13 GLN HA H 1 4.000 0.008 . . . . . . A 2072 GLN HA . 34636 1 111 . 1 . 1 13 13 GLN HB2 H 1 2.099 0.010 . . . . . . A 2072 GLN HB2 . 34636 1 112 . 1 . 1 13 13 GLN HG2 H 1 2.388 0.009 . . . . . . A 2072 GLN HG2 . 34636 1 113 . 1 . 1 13 13 GLN CA C 13 55.675 0.060 . . . . . . A 2072 GLN CA . 34636 1 114 . 1 . 1 13 13 GLN CB C 13 25.182 0.289 . . . . . . A 2072 GLN CB . 34636 1 115 . 1 . 1 13 13 GLN N N 15 117.363 0.024 . . . . . . A 2072 GLN N . 34636 1 116 . 1 . 1 14 14 THR H H 1 7.897 0.004 . . . . . . A 2073 THR H . 34636 1 117 . 1 . 1 14 14 THR HA H 1 4.012 0.012 . . . . . . A 2073 THR HA . 34636 1 118 . 1 . 1 14 14 THR HB H 1 4.234 0.012 . . . . . . A 2073 THR HB . 34636 1 119 . 1 . 1 14 14 THR HG21 H 1 1.189 0.012 . . . . . . A 2073 THR HG1 . 34636 1 120 . 1 . 1 14 14 THR HG22 H 1 1.189 0.012 . . . . . . A 2073 THR HG1 . 34636 1 121 . 1 . 1 14 14 THR HG23 H 1 1.189 0.012 . . . . . . A 2073 THR HG1 . 34636 1 122 . 1 . 1 14 14 THR CA C 13 62.876 0.042 . . . . . . A 2073 THR CA . 34636 1 123 . 1 . 1 14 14 THR CB C 13 66.211 0.170 . . . . . . A 2073 THR CB . 34636 1 124 . 1 . 1 14 14 THR CG2 C 13 19.469 0.067 . . . . . . A 2073 THR CG2 . 34636 1 125 . 1 . 1 14 14 THR N N 15 115.416 0.036 . . . . . . A 2073 THR N . 34636 1 126 . 1 . 1 15 15 LEU H H 1 7.877 0.004 . . . . . . A 2074 LEU H . 34636 1 127 . 1 . 1 15 15 LEU HA H 1 4.056 0.019 . . . . . . A 2074 LEU HA . 34636 1 128 . 1 . 1 15 15 LEU HB2 H 1 1.507 0.012 . . . . . . A 2074 LEU HB2 . 34636 1 129 . 1 . 1 15 15 LEU HB3 H 1 1.756 0.008 . . . . . . A 2074 LEU HB3 . 34636 1 130 . 1 . 1 15 15 LEU HG H 1 1.765 0.002 . . . . . . A 2074 LEU HG . 34636 1 131 . 1 . 1 15 15 LEU HD11 H 1 0.770 0.008 . . . . . . A 2074 LEU HD11 . 34636 1 132 . 1 . 1 15 15 LEU HD12 H 1 0.770 0.008 . . . . . . A 2074 LEU HD12 . 34636 1 133 . 1 . 1 15 15 LEU HD13 H 1 0.770 0.008 . . . . . . A 2074 LEU HD13 . 34636 1 134 . 1 . 1 15 15 LEU CA C 13 53.712 0.085 . . . . . . A 2074 LEU CA . 34636 1 135 . 1 . 1 15 15 LEU CB C 13 38.876 0.134 . . . . . . A 2074 LEU CB . 34636 1 136 . 1 . 1 15 15 LEU CG C 13 23.992 0.044 . . . . . . A 2074 LEU CG . 34636 1 137 . 1 . 1 15 15 LEU CD1 C 13 22.992 0.047 . . . . . . A 2074 LEU CD1 . 34636 1 138 . 1 . 1 15 15 LEU N N 15 120.971 0.060 . . . . . . A 2074 LEU N . 34636 1 139 . 1 . 1 16 16 LYS H H 1 7.503 0.008 . . . . . . A 2075 LYS H . 34636 1 140 . 1 . 1 16 16 LYS HA H 1 4.193 0.009 . . . . . . A 2075 LYS HA . 34636 1 141 . 1 . 1 16 16 LYS HB2 H 1 1.749 0.010 . . . . . . A 2075 LYS HB2 . 34636 1 142 . 1 . 1 16 16 LYS HG2 H 1 1.484 0.000 . . . . . . A 2075 LYS HG2 . 34636 1 143 . 1 . 1 16 16 LYS CA C 13 54.085 0.150 . . . . . . A 2075 LYS CA . 34636 1 144 . 1 . 1 16 16 LYS CB C 13 29.492 0.025 . . . . . . A 2075 LYS CB . 34636 1 145 . 1 . 1 16 16 LYS N N 15 117.723 0.029 . . . . . . A 2075 LYS N . 34636 1 146 . 1 . 1 17 17 SER H H 1 7.645 0.006 . . . . . . A 2076 SER H . 34636 1 147 . 1 . 1 17 17 SER HA H 1 4.680 0.012 . . . . . . A 2076 SER HA . 34636 1 148 . 1 . 1 17 17 SER HB2 H 1 3.879 0.007 . . . . . . A 2076 SER HB2 . 34636 1 149 . 1 . 1 17 17 SER CA C 13 53.929 0.078 . . . . . . A 2076 SER CA . 34636 1 150 . 1 . 1 17 17 SER CB C 13 60.363 0.188 . . . . . . A 2076 SER CB . 34636 1 151 . 1 . 1 17 17 SER N N 15 116.180 0.017 . . . . . . A 2076 SER N . 34636 1 152 . 1 . 1 18 18 PRO HA H 1 4.681 0.009 . . . . . . A 2077 PRO HA . 34636 1 153 . 1 . 1 18 18 PRO HB2 H 1 1.822 0.011 . . . . . . A 2077 PRO HB2 . 34636 1 154 . 1 . 1 18 18 PRO HB3 H 1 1.822 0.011 . . . . . . A 2077 PRO HB3 . 34636 1 155 . 1 . 1 18 18 PRO HG2 H 1 2.015 0.014 . . . . . . A 2077 PRO HG2 . 34636 1 156 . 1 . 1 18 18 PRO HG3 H 1 1.974 0.014 . . . . . . A 2077 PRO HG3 . 34636 1 157 . 1 . 1 18 18 PRO HD2 H 1 3.747 0.008 . . . . . . A 2077 PRO HD2 . 34636 1 158 . 1 . 1 18 18 PRO HD3 H 1 3.747 0.008 . . . . . . A 2077 PRO HD3 . 34636 1 159 . 1 . 1 18 18 PRO CA C 13 58.904 0.090 . . . . . . A 2077 PRO CA . 34636 1 160 . 1 . 1 18 18 PRO CB C 13 29.100 0.085 . . . . . . A 2077 PRO CB . 34636 1 161 . 1 . 1 18 18 PRO CD C 13 47.977 0.050 . . . . . . A 2077 PRO CD . 34636 1 162 . 1 . 1 19 19 ASN H H 1 8.430 0.005 . . . . . . A 2078 ASN H . 34636 1 163 . 1 . 1 19 19 ASN HA H 1 4.600 0.011 . . . . . . A 2078 ASN HA . 34636 1 164 . 1 . 1 19 19 ASN HB2 H 1 2.707 0.009 . . . . . . A 2078 ASN HB2 . 34636 1 165 . 1 . 1 19 19 ASN CA C 13 50.941 0.160 . . . . . . A 2078 ASN CA . 34636 1 166 . 1 . 1 19 19 ASN CB C 13 36.179 0.225 . . . . . . A 2078 ASN CB . 34636 1 167 . 1 . 1 19 19 ASN N N 15 118.910 0.025 . . . . . . A 2078 ASN N . 34636 1 168 . 1 . 1 20 20 SER H H 1 7.845 0.005 . . . . . . A 2079 SER H . 34636 1 169 . 1 . 1 20 20 SER HA H 1 4.769 0.012 . . . . . . A 2079 SER HA . 34636 1 170 . 1 . 1 20 20 SER HB2 H 1 3.928 0.010 . . . . . . A 2079 SER HB2 . 34636 1 171 . 1 . 1 20 20 SER HB3 H 1 4.085 0.011 . . . . . . A 2079 SER HB3 . 34636 1 172 . 1 . 1 20 20 SER CA C 13 53.838 0.027 . . . . . . A 2079 SER CA . 34636 1 173 . 1 . 1 20 20 SER CB C 13 60.569 0.109 . . . . . . A 2079 SER CB . 34636 1 174 . 1 . 1 20 20 SER N N 15 117.006 0.024 . . . . . . A 2079 SER N . 34636 1 175 . 1 . 1 21 21 PRO HA H 1 4.302 0.016 . . . . . . A 2080 PRO HA . 34636 1 176 . 1 . 1 21 21 PRO HB2 H 1 2.345 0.007 . . . . . . A 2080 PRO HB2 . 34636 1 177 . 1 . 1 21 21 PRO HB3 H 1 1.906 0.024 . . . . . . A 2080 PRO HB3 . 34636 1 178 . 1 . 1 21 21 PRO HG2 H 1 2.101 0.006 . . . . . . A 2080 PRO HG2 . 34636 1 179 . 1 . 1 21 21 PRO HG3 H 1 1.969 0.019 . . . . . . A 2080 PRO HG3 . 34636 1 180 . 1 . 1 21 21 PRO HD2 H 1 3.834 0.014 . . . . . . A 2080 PRO HD2 . 34636 1 181 . 1 . 1 21 21 PRO CA C 13 62.507 0.179 . . . . . . A 2080 PRO CA . 34636 1 182 . 1 . 1 21 21 PRO CB C 13 29.062 0.135 . . . . . . A 2080 PRO CB . 34636 1 183 . 1 . 1 21 21 PRO CG C 13 24.910 0.000 . . . . . . A 2080 PRO CG . 34636 1 184 . 1 . 1 21 21 PRO CD C 13 47.882 0.015 . . . . . . A 2080 PRO CD . 34636 1 185 . 1 . 1 22 22 GLN H H 1 8.248 0.004 . . . . . . A 2081 GLN H . 34636 1 186 . 1 . 1 22 22 GLN HA H 1 4.059 0.007 . . . . . . A 2081 GLN HA . 34636 1 187 . 1 . 1 22 22 GLN HB2 H 1 1.988 0.012 . . . . . . A 2081 GLN HB2 . 34636 1 188 . 1 . 1 22 22 GLN HG2 H 1 2.340 0.006 . . . . . . A 2081 GLN HG2 . 34636 1 189 . 1 . 1 22 22 GLN CA C 13 55.855 0.237 . . . . . . A 2081 GLN CA . 34636 1 190 . 1 . 1 22 22 GLN CB C 13 25.039 0.311 . . . . . . A 2081 GLN CB . 34636 1 191 . 1 . 1 22 22 GLN N N 15 117.275 0.020 . . . . . . A 2081 GLN N . 34636 1 192 . 1 . 1 23 23 GLN H H 1 7.960 0.003 . . . . . . A 2082 GLN H . 34636 1 193 . 1 . 1 23 23 GLN HA H 1 4.103 0.015 . . . . . . A 2082 GLN HA . 34636 1 194 . 1 . 1 23 23 GLN HB2 H 1 2.071 0.012 . . . . . . A 2082 GLN HB2 . 34636 1 195 . 1 . 1 23 23 GLN HB3 H 1 2.177 0.013 . . . . . . A 2082 GLN HB3 . 34636 1 196 . 1 . 1 23 23 GLN HG2 H 1 2.339 0.019 . . . . . . A 2082 GLN HG2 . 34636 1 197 . 1 . 1 23 23 GLN HG3 H 1 2.416 0.002 . . . . . . A 2082 GLN HG3 . 34636 1 198 . 1 . 1 23 23 GLN CA C 13 55.915 0.141 . . . . . . A 2082 GLN CA . 34636 1 199 . 1 . 1 23 23 GLN CB C 13 25.493 0.297 . . . . . . A 2082 GLN CB . 34636 1 200 . 1 . 1 23 23 GLN CG C 13 31.204 0.000 . . . . . . A 2082 GLN CG . 34636 1 201 . 1 . 1 23 23 GLN N N 15 120.036 0.060 . . . . . . A 2082 GLN N . 34636 1 202 . 1 . 1 24 24 GLN H H 1 7.938 0.011 . . . . . . A 2083 GLN H . 34636 1 203 . 1 . 1 24 24 GLN HA H 1 3.934 0.015 . . . . . . A 2083 GLN HA . 34636 1 204 . 1 . 1 24 24 GLN HB2 H 1 2.064 0.011 . . . . . . A 2083 GLN HB2 . 34636 1 205 . 1 . 1 24 24 GLN HB3 H 1 2.002 0.000 . . . . . . A 2083 GLN HB3 . 34636 1 206 . 1 . 1 24 24 GLN HG2 H 1 2.195 0.010 . . . . . . A 2083 GLN HG2 . 34636 1 207 . 1 . 1 24 24 GLN HG3 H 1 2.358 0.006 . . . . . . A 2083 GLN HG3 . 34636 1 208 . 1 . 1 24 24 GLN CA C 13 55.974 0.169 . . . . . . A 2083 GLN CA . 34636 1 209 . 1 . 1 24 24 GLN CB C 13 25.553 0.000 . . . . . . A 2083 GLN CB . 34636 1 210 . 1 . 1 24 24 GLN CG C 13 31.175 0.029 . . . . . . A 2083 GLN CG . 34636 1 211 . 1 . 1 24 24 GLN N N 15 117.707 0.010 . . . . . . A 2083 GLN N . 34636 1 212 . 1 . 1 25 25 GLN H H 1 8.025 0.004 . . . . . . A 2084 GLN H . 34636 1 213 . 1 . 1 25 25 GLN HA H 1 3.985 0.008 . . . . . . A 2084 GLN HA . 34636 1 214 . 1 . 1 25 25 GLN HB2 H 1 2.031 0.016 . . . . . . A 2084 GLN HB2 . 34636 1 215 . 1 . 1 25 25 GLN HG2 H 1 2.340 0.013 . . . . . . A 2084 GLN HG2 . 34636 1 216 . 1 . 1 25 25 GLN HG3 H 1 2.286 0.012 . . . . . . A 2084 GLN HG3 . 34636 1 217 . 1 . 1 25 25 GLN CA C 13 55.738 0.312 . . . . . . A 2084 GLN CA . 34636 1 218 . 1 . 1 25 25 GLN CB C 13 25.240 0.313 . . . . . . A 2084 GLN CB . 34636 1 219 . 1 . 1 25 25 GLN CG C 13 31.142 0.000 . . . . . . A 2084 GLN CG . 34636 1 220 . 1 . 1 25 25 GLN N N 15 117.759 0.028 . . . . . . A 2084 GLN N . 34636 1 221 . 1 . 1 26 26 GLN H H 1 7.974 0.004 . . . . . . A 2085 GLN H . 34636 1 222 . 1 . 1 26 26 GLN HA H 1 3.946 0.002 . . . . . . A 2085 GLN HA . 34636 1 223 . 1 . 1 26 26 GLN HB2 H 1 2.087 0.007 . . . . . . A 2085 GLN HB2 . 34636 1 224 . 1 . 1 26 26 GLN HG2 H 1 2.371 0.003 . . . . . . A 2085 GLN HG2 . 34636 1 225 . 1 . 1 26 26 GLN CA C 13 55.681 0.146 . . . . . . A 2085 GLN CA . 34636 1 226 . 1 . 1 26 26 GLN CB C 13 25.229 0.312 . . . . . . A 2085 GLN CB . 34636 1 227 . 1 . 1 26 26 GLN CG C 13 31.136 0.000 . . . . . . A 2085 GLN CG . 34636 1 228 . 1 . 1 26 26 GLN N N 15 117.721 0.017 . . . . . . A 2085 GLN N . 34636 1 229 . 1 . 1 27 27 VAL H H 1 8.050 0.004 . . . . . . A 2086 VAL H . 34636 1 230 . 1 . 1 27 27 VAL HA H 1 3.444 0.014 . . . . . . A 2086 VAL HA . 34636 1 231 . 1 . 1 27 27 VAL HB H 1 2.080 0.014 . . . . . . A 2086 VAL HB . 34636 1 232 . 1 . 1 27 27 VAL HG11 H 1 0.709 0.023 . . . . . . A 2086 VAL HG11 . 34636 1 233 . 1 . 1 27 27 VAL HG12 H 1 0.709 0.023 . . . . . . A 2086 VAL HG12 . 34636 1 234 . 1 . 1 27 27 VAL HG13 H 1 0.709 0.023 . . . . . . A 2086 VAL HG13 . 34636 1 235 . 1 . 1 27 27 VAL HG21 H 1 0.936 0.009 . . . . . . A 2086 VAL HG21 . 34636 1 236 . 1 . 1 27 27 VAL HG22 H 1 0.936 0.009 . . . . . . A 2086 VAL HG22 . 34636 1 237 . 1 . 1 27 27 VAL HG23 H 1 0.936 0.009 . . . . . . A 2086 VAL HG23 . 34636 1 238 . 1 . 1 27 27 VAL CA C 13 63.953 0.136 . . . . . . A 2086 VAL CA . 34636 1 239 . 1 . 1 27 27 VAL CB C 13 29.212 0.050 . . . . . . A 2086 VAL CB . 34636 1 240 . 1 . 1 27 27 VAL N N 15 119.522 0.046 . . . . . . A 2086 VAL N . 34636 1 241 . 1 . 1 28 28 LEU H H 1 7.858 0.007 . . . . . . A 2087 LEU H . 34636 1 242 . 1 . 1 28 28 LEU HA H 1 3.847 0.008 . . . . . . A 2087 LEU HA . 34636 1 243 . 1 . 1 28 28 LEU HB2 H 1 1.505 0.026 . . . . . . A 2087 LEU HB2 . 34636 1 244 . 1 . 1 28 28 LEU HG H 1 1.678 0.025 . . . . . . A 2087 LEU HG . 34636 1 245 . 1 . 1 28 28 LEU HD11 H 1 0.779 0.012 . . . . . . A 2087 LEU HD11 . 34636 1 246 . 1 . 1 28 28 LEU HD12 H 1 0.779 0.012 . . . . . . A 2087 LEU HD12 . 34636 1 247 . 1 . 1 28 28 LEU HD13 H 1 0.779 0.012 . . . . . . A 2087 LEU HD13 . 34636 1 248 . 1 . 1 28 28 LEU CA C 13 55.227 0.061 . . . . . . A 2087 LEU CA . 34636 1 249 . 1 . 1 28 28 LEU CB C 13 37.955 0.023 . . . . . . A 2087 LEU CB . 34636 1 250 . 1 . 1 28 28 LEU CG C 13 24.254 0.023 . . . . . . A 2087 LEU CG . 34636 1 251 . 1 . 1 28 28 LEU CD1 C 13 21.047 0.026 . . . . . . A 2087 LEU CD1 . 34636 1 252 . 1 . 1 28 28 LEU N N 15 118.998 0.028 . . . . . . A 2087 LEU N . 34636 1 253 . 1 . 1 29 29 HIS H H 1 8.047 0.003 . . . . . . A 2088 HIS H . 34636 1 254 . 1 . 1 29 29 HIS HA H 1 4.213 0.009 . . . . . . A 2088 HIS HA . 34636 1 255 . 1 . 1 29 29 HIS HB2 H 1 3.133 0.014 . . . . . . A 2088 HIS HB2 . 34636 1 256 . 1 . 1 29 29 HIS HB3 H 1 3.165 0.012 . . . . . . A 2088 HIS HB3 . 34636 1 257 . 1 . 1 29 29 HIS CA C 13 57.153 0.046 . . . . . . A 2088 HIS CA . 34636 1 258 . 1 . 1 29 29 HIS CB C 13 28.039 0.026 . . . . . . A 2088 HIS CB . 34636 1 259 . 1 . 1 29 29 HIS N N 15 118.020 0.118 . . . . . . A 2088 HIS N . 34636 1 260 . 1 . 1 30 30 ILE H H 1 7.993 0.004 . . . . . . A 2089 ILE H . 34636 1 261 . 1 . 1 30 30 ILE HA H 1 3.538 0.016 . . . . . . A 2089 ILE HA . 34636 1 262 . 1 . 1 30 30 ILE HB H 1 1.863 0.015 . . . . . . A 2089 ILE HB . 34636 1 263 . 1 . 1 30 30 ILE HG12 H 1 1.030 0.014 . . . . . . A 2089 ILE HG12 . 34636 1 264 . 1 . 1 30 30 ILE HG13 H 1 1.781 0.016 . . . . . . A 2089 ILE HG13 . 34636 1 265 . 1 . 1 30 30 ILE HG21 H 1 0.782 0.018 . . . . . . A 2089 ILE HG21 . 34636 1 266 . 1 . 1 30 30 ILE HG22 H 1 0.782 0.018 . . . . . . A 2089 ILE HG22 . 34636 1 267 . 1 . 1 30 30 ILE HG23 H 1 0.782 0.018 . . . . . . A 2089 ILE HG23 . 34636 1 268 . 1 . 1 30 30 ILE HD11 H 1 0.744 0.015 . . . . . . A 2089 ILE HD11 . 34636 1 269 . 1 . 1 30 30 ILE HD12 H 1 0.744 0.015 . . . . . . A 2089 ILE HD12 . 34636 1 270 . 1 . 1 30 30 ILE HD13 H 1 0.744 0.015 . . . . . . A 2089 ILE HD13 . 34636 1 271 . 1 . 1 30 30 ILE CA C 13 62.200 0.183 . . . . . . A 2089 ILE CA . 34636 1 272 . 1 . 1 30 30 ILE CB C 13 35.341 0.172 . . . . . . A 2089 ILE CB . 34636 1 273 . 1 . 1 30 30 ILE CG1 C 13 26.257 0.080 . . . . . . A 2089 ILE CG1 . 34636 1 274 . 1 . 1 30 30 ILE CG2 C 13 15.023 0.099 . . . . . . A 2089 ILE CG2 . 34636 1 275 . 1 . 1 30 30 ILE CD1 C 13 11.080 0.132 . . . . . . A 2089 ILE CD1 . 34636 1 276 . 1 . 1 30 30 ILE N N 15 121.224 0.048 . . . . . . A 2089 ILE N . 34636 1 277 . 1 . 1 31 31 LEU H H 1 8.060 0.007 . . . . . . A 2090 LEU H . 34636 1 278 . 1 . 1 31 31 LEU HA H 1 3.879 0.011 . . . . . . A 2090 LEU HA . 34636 1 279 . 1 . 1 31 31 LEU HB2 H 1 1.717 0.015 . . . . . . A 2090 LEU HB2 . 34636 1 280 . 1 . 1 31 31 LEU HB3 H 1 1.361 0.018 . . . . . . A 2090 LEU HB3 . 34636 1 281 . 1 . 1 31 31 LEU HD11 H 1 0.595 0.012 . . . . . . A 2090 LEU HD11 . 34636 1 282 . 1 . 1 31 31 LEU HD12 H 1 0.595 0.012 . . . . . . A 2090 LEU HD12 . 34636 1 283 . 1 . 1 31 31 LEU HD13 H 1 0.595 0.012 . . . . . . A 2090 LEU HD13 . 34636 1 284 . 1 . 1 31 31 LEU HD21 H 1 0.526 0.013 . . . . . . A 2090 LEU HD21 . 34636 1 285 . 1 . 1 31 31 LEU HD22 H 1 0.526 0.013 . . . . . . A 2090 LEU HD22 . 34636 1 286 . 1 . 1 31 31 LEU HD23 H 1 0.526 0.013 . . . . . . A 2090 LEU HD23 . 34636 1 287 . 1 . 1 31 31 LEU CA C 13 54.776 0.175 . . . . . . A 2090 LEU CA . 34636 1 288 . 1 . 1 31 31 LEU CB C 13 38.808 0.211 . . . . . . A 2090 LEU CB . 34636 1 289 . 1 . 1 31 31 LEU CG C 13 24.603 0.000 . . . . . . A 2090 LEU CG . 34636 1 290 . 1 . 1 31 31 LEU CD1 C 13 23.079 0.033 . . . . . . A 2090 LEU CD1 . 34636 1 291 . 1 . 1 31 31 LEU N N 15 119.608 0.056 . . . . . . A 2090 LEU N . 34636 1 292 . 1 . 1 32 32 LYS H H 1 8.130 0.005 . . . . . . A 2091 LYS H . 34636 1 293 . 1 . 1 32 32 LYS HA H 1 3.907 0.010 . . . . . . A 2091 LYS HA . 34636 1 294 . 1 . 1 32 32 LYS HB2 H 1 1.772 0.016 . . . . . . A 2091 LYS HB2 . 34636 1 295 . 1 . 1 32 32 LYS CA C 13 55.873 0.049 . . . . . . A 2091 LYS CA . 34636 1 296 . 1 . 1 32 32 LYS CB C 13 29.556 0.269 . . . . . . A 2091 LYS CB . 34636 1 297 . 1 . 1 32 32 LYS N N 15 116.924 0.025 . . . . . . A 2091 LYS N . 34636 1 298 . 1 . 1 33 33 SER H H 1 7.548 0.005 . . . . . . A 2092 SER H . 34636 1 299 . 1 . 1 33 33 SER HA H 1 4.290 0.008 . . . . . . A 2092 SER HA . 34636 1 300 . 1 . 1 33 33 SER HB2 H 1 3.764 0.011 . . . . . . A 2092 SER HB2 . 34636 1 301 . 1 . 1 33 33 SER CA C 13 56.704 0.019 . . . . . . A 2092 SER CA . 34636 1 302 . 1 . 1 33 33 SER CB C 13 61.192 0.160 . . . . . . A 2092 SER CB . 34636 1 303 . 1 . 1 33 33 SER N N 15 111.762 0.099 . . . . . . A 2092 SER N . 34636 1 304 . 1 . 1 34 34 ASN H H 1 7.500 0.009 . . . . . . A 2093 ASN H . 34636 1 305 . 1 . 1 34 34 ASN HA H 1 5.163 0.010 . . . . . . A 2093 ASN HA . 34636 1 306 . 1 . 1 34 34 ASN HB2 H 1 2.614 0.016 . . . . . . A 2093 ASN HB2 . 34636 1 307 . 1 . 1 34 34 ASN HB3 H 1 2.645 0.015 . . . . . . A 2093 ASN HB3 . 34636 1 308 . 1 . 1 34 34 ASN CA C 13 48.545 0.145 . . . . . . A 2093 ASN CA . 34636 1 309 . 1 . 1 34 34 ASN CB C 13 37.371 0.096 . . . . . . A 2093 ASN CB . 34636 1 310 . 1 . 1 34 34 ASN N N 15 118.624 0.042 . . . . . . A 2093 ASN N . 34636 1 311 . 1 . 1 35 35 PRO HA H 1 4.343 0.012 . . . . . . A 2094 PRO HA . 34636 1 312 . 1 . 1 35 35 PRO HB2 H 1 2.338 0.005 . . . . . . A 2094 PRO HB2 . 34636 1 313 . 1 . 1 35 35 PRO HB3 H 1 1.966 0.018 . . . . . . A 2094 PRO HB3 . 34636 1 314 . 1 . 1 35 35 PRO HG2 H 1 2.092 0.002 . . . . . . A 2094 PRO HG2 . 34636 1 315 . 1 . 1 35 35 PRO HD2 H 1 3.523 0.007 . . . . . . A 2094 PRO HD2 . 34636 1 316 . 1 . 1 35 35 PRO HD3 H 1 3.748 0.002 . . . . . . A 2094 PRO HD3 . 34636 1 317 . 1 . 1 35 35 PRO CA C 13 62.466 0.183 . . . . . . A 2094 PRO CA . 34636 1 318 . 1 . 1 35 35 PRO CB C 13 29.081 0.156 . . . . . . A 2094 PRO CB . 34636 1 319 . 1 . 1 35 35 PRO CD C 13 47.777 0.065 . . . . . . A 2094 PRO CD . 34636 1 320 . 1 . 1 36 36 GLN H H 1 8.719 0.003 . . . . . . A 2095 GLN H . 34636 1 321 . 1 . 1 36 36 GLN HA H 1 4.190 0.010 . . . . . . A 2095 GLN HA . 34636 1 322 . 1 . 1 36 36 GLN HB2 H 1 2.063 0.006 . . . . . . A 2095 GLN HB2 . 34636 1 323 . 1 . 1 36 36 GLN HB3 H 1 1.959 0.005 . . . . . . A 2095 GLN HB3 . 34636 1 324 . 1 . 1 36 36 GLN HG2 H 1 2.319 0.002 . . . . . . A 2095 GLN HG2 . 34636 1 325 . 1 . 1 36 36 GLN HG3 H 1 2.459 0.000 . . . . . . A 2095 GLN HG3 . 34636 1 326 . 1 . 1 36 36 GLN CA C 13 55.383 0.217 . . . . . . A 2095 GLN CA . 34636 1 327 . 1 . 1 36 36 GLN CB C 13 24.523 0.288 . . . . . . A 2095 GLN CB . 34636 1 328 . 1 . 1 36 36 GLN N N 15 118.268 0.013 . . . . . . A 2095 GLN N . 34636 1 329 . 1 . 1 37 37 LEU H H 1 7.805 0.008 . . . . . . A 2096 LEU H . 34636 1 330 . 1 . 1 37 37 LEU HA H 1 4.134 0.019 . . . . . . A 2096 LEU HA . 34636 1 331 . 1 . 1 37 37 LEU HB2 H 1 1.712 0.014 . . . . . . A 2096 LEU HB2 . 34636 1 332 . 1 . 1 37 37 LEU HB3 H 1 1.566 0.013 . . . . . . A 2096 LEU HB3 . 34636 1 333 . 1 . 1 37 37 LEU HD11 H 1 0.771 0.010 . . . . . . A 2096 LEU HD11 . 34636 1 334 . 1 . 1 37 37 LEU HD12 H 1 0.771 0.010 . . . . . . A 2096 LEU HD12 . 34636 1 335 . 1 . 1 37 37 LEU HD13 H 1 0.771 0.010 . . . . . . A 2096 LEU HD13 . 34636 1 336 . 1 . 1 37 37 LEU CA C 13 53.903 0.153 . . . . . . A 2096 LEU CA . 34636 1 337 . 1 . 1 37 37 LEU CB C 13 38.806 0.122 . . . . . . A 2096 LEU CB . 34636 1 338 . 1 . 1 37 37 LEU CG C 13 24.233 0.042 . . . . . . A 2096 LEU CG . 34636 1 339 . 1 . 1 37 37 LEU N N 15 121.214 0.018 . . . . . . A 2096 LEU N . 34636 1 340 . 1 . 1 38 38 MET H H 1 7.879 0.001 . . . . . . A 2097 MET H . 34636 1 341 . 1 . 1 38 38 MET HA H 1 4.199 0.012 . . . . . . A 2097 MET HA . 34636 1 342 . 1 . 1 38 38 MET HB2 H 1 2.087 0.016 . . . . . . A 2097 MET HB2 . 34636 1 343 . 1 . 1 38 38 MET HG2 H 1 2.482 0.017 . . . . . . A 2097 MET HG2 . 34636 1 344 . 1 . 1 38 38 MET HE1 H 1 1.909 0.014 . . . . . . A 2097 MET HE1 . 34636 1 345 . 1 . 1 38 38 MET HE2 H 1 1.909 0.014 . . . . . . A 2097 MET HE2 . 34636 1 346 . 1 . 1 38 38 MET HE3 H 1 1.909 0.014 . . . . . . A 2097 MET HE3 . 34636 1 347 . 1 . 1 38 38 MET CA C 13 55.277 0.254 . . . . . . A 2097 MET CA . 34636 1 348 . 1 . 1 38 38 MET CB C 13 28.862 0.291 . . . . . . A 2097 MET CB . 34636 1 349 . 1 . 1 38 38 MET CG C 13 29.581 0.100 . . . . . . A 2097 MET CG . 34636 1 350 . 1 . 1 38 38 MET CE C 13 14.614 0.161 . . . . . . A 2097 MET CE . 34636 1 351 . 1 . 1 38 38 MET N N 15 117.385 0.022 . . . . . . A 2097 MET N . 34636 1 352 . 1 . 1 39 39 ALA H H 1 7.904 0.002 . . . . . . A 2098 ALA H . 34636 1 353 . 1 . 1 39 39 ALA HA H 1 4.010 0.012 . . . . . . A 2098 ALA HA . 34636 1 354 . 1 . 1 39 39 ALA HB1 H 1 1.401 0.012 . . . . . . A 2098 ALA HB1 . 34636 1 355 . 1 . 1 39 39 ALA HB2 H 1 1.401 0.012 . . . . . . A 2098 ALA HB2 . 34636 1 356 . 1 . 1 39 39 ALA HB3 H 1 1.401 0.012 . . . . . . A 2098 ALA HB3 . 34636 1 357 . 1 . 1 39 39 ALA CA C 13 52.173 0.102 . . . . . . A 2098 ALA CA . 34636 1 358 . 1 . 1 39 39 ALA CB C 13 15.365 0.157 . . . . . . A 2098 ALA CB . 34636 1 359 . 1 . 1 39 39 ALA N N 15 120.081 0.043 . . . . . . A 2098 ALA N . 34636 1 360 . 1 . 1 40 40 ALA H H 1 7.620 0.003 . . . . . . A 2099 ALA H . 34636 1 361 . 1 . 1 40 40 ALA HA H 1 4.073 0.017 . . . . . . A 2099 ALA HA . 34636 1 362 . 1 . 1 40 40 ALA HB1 H 1 1.354 0.011 . . . . . . A 2099 ALA HB1 . 34636 1 363 . 1 . 1 40 40 ALA HB2 H 1 1.354 0.011 . . . . . . A 2099 ALA HB2 . 34636 1 364 . 1 . 1 40 40 ALA HB3 H 1 1.354 0.011 . . . . . . A 2099 ALA HB3 . 34636 1 365 . 1 . 1 40 40 ALA CA C 13 51.653 0.149 . . . . . . A 2099 ALA CA . 34636 1 366 . 1 . 1 40 40 ALA CB C 13 15.586 0.154 . . . . . . A 2099 ALA CB . 34636 1 367 . 1 . 1 40 40 ALA N N 15 119.695 0.026 . . . . . . A 2099 ALA N . 34636 1 368 . 1 . 1 41 41 PHE H H 1 8.047 0.004 . . . . . . A 2100 PHE H . 34636 1 369 . 1 . 1 41 41 PHE HA H 1 4.220 0.013 . . . . . . A 2100 PHE HA . 34636 1 370 . 1 . 1 41 41 PHE HB2 H 1 3.168 0.016 . . . . . . A 2100 PHE HB2 . 34636 1 371 . 1 . 1 41 41 PHE HB3 H 1 2.991 0.013 . . . . . . A 2100 PHE HB3 . 34636 1 372 . 1 . 1 41 41 PHE CA C 13 57.246 0.137 . . . . . . A 2100 PHE CA . 34636 1 373 . 1 . 1 41 41 PHE CB C 13 36.945 0.126 . . . . . . A 2100 PHE CB . 34636 1 374 . 1 . 1 41 41 PHE N N 15 118.227 0.043 . . . . . . A 2100 PHE N . 34636 1 375 . 1 . 1 42 42 ILE H H 1 8.033 0.003 . . . . . . A 2101 ILE H . 34636 1 376 . 1 . 1 42 42 ILE HA H 1 3.659 0.015 . . . . . . A 2101 ILE HA . 34636 1 377 . 1 . 1 42 42 ILE HB H 1 1.868 0.013 . . . . . . A 2101 ILE HB . 34636 1 378 . 1 . 1 42 42 ILE HG12 H 1 1.179 0.016 . . . . . . A 2101 ILE HG12 . 34636 1 379 . 1 . 1 42 42 ILE HG13 H 1 1.604 0.013 . . . . . . A 2101 ILE HG13 . 34636 1 380 . 1 . 1 42 42 ILE HG21 H 1 0.814 0.017 . . . . . . A 2101 ILE HG21 . 34636 1 381 . 1 . 1 42 42 ILE HG22 H 1 0.814 0.017 . . . . . . A 2101 ILE HG22 . 34636 1 382 . 1 . 1 42 42 ILE HG23 H 1 0.814 0.017 . . . . . . A 2101 ILE HG23 . 34636 1 383 . 1 . 1 42 42 ILE HD11 H 1 0.778 0.015 . . . . . . A 2101 ILE HD11 . 34636 1 384 . 1 . 1 42 42 ILE HD12 H 1 0.778 0.015 . . . . . . A 2101 ILE HD12 . 34636 1 385 . 1 . 1 42 42 ILE HD13 H 1 0.778 0.015 . . . . . . A 2101 ILE HD13 . 34636 1 386 . 1 . 1 42 42 ILE CA C 13 60.461 0.164 . . . . . . A 2101 ILE CA . 34636 1 387 . 1 . 1 42 42 ILE CB C 13 35.317 0.148 . . . . . . A 2101 ILE CB . 34636 1 388 . 1 . 1 42 42 ILE CG1 C 13 25.680 0.083 . . . . . . A 2101 ILE CG1 . 34636 1 389 . 1 . 1 42 42 ILE CG2 C 13 14.677 0.073 . . . . . . A 2101 ILE CG2 . 34636 1 390 . 1 . 1 42 42 ILE CD1 C 13 10.325 0.095 . . . . . . A 2101 ILE CD1 . 34636 1 391 . 1 . 1 42 42 ILE N N 15 118.331 0.044 . . . . . . A 2101 ILE N . 34636 1 392 . 1 . 1 43 43 LYS H H 1 7.865 0.007 . . . . . . A 2102 LYS H . 34636 1 393 . 1 . 1 43 43 LYS HA H 1 4.061 0.011 . . . . . . A 2102 LYS HA . 34636 1 394 . 1 . 1 43 43 LYS HB2 H 1 1.809 0.025 . . . . . . A 2102 LYS HB2 . 34636 1 395 . 1 . 1 43 43 LYS HG2 H 1 1.394 0.007 . . . . . . A 2102 LYS HG2 . 34636 1 396 . 1 . 1 43 43 LYS HD2 H 1 1.610 0.011 . . . . . . A 2102 LYS HD2 . 34636 1 397 . 1 . 1 43 43 LYS HE2 H 1 2.884 0.019 . . . . . . A 2102 LYS HE2 . 34636 1 398 . 1 . 1 43 43 LYS CA C 13 55.305 0.233 . . . . . . A 2102 LYS CA . 34636 1 399 . 1 . 1 43 43 LYS CB C 13 29.702 0.167 . . . . . . A 2102 LYS CB . 34636 1 400 . 1 . 1 43 43 LYS CD C 13 26.490 0.053 . . . . . . A 2102 LYS CD . 34636 1 401 . 1 . 1 43 43 LYS CE C 13 39.006 0.082 . . . . . . A 2102 LYS CE . 34636 1 402 . 1 . 1 43 43 LYS N N 15 121.516 0.069 . . . . . . A 2102 LYS N . 34636 1 403 . 1 . 1 44 44 GLN H H 1 7.978 0.006 . . . . . . A 2103 GLN H . 34636 1 404 . 1 . 1 44 44 GLN HA H 1 4.081 0.006 . . . . . . A 2103 GLN HA . 34636 1 405 . 1 . 1 44 44 GLN HB2 H 1 1.992 0.015 . . . . . . A 2103 GLN HB2 . 34636 1 406 . 1 . 1 44 44 GLN HB3 H 1 2.061 0.002 . . . . . . A 2103 GLN HB3 . 34636 1 407 . 1 . 1 44 44 GLN HG2 H 1 2.321 0.018 . . . . . . A 2103 GLN HG2 . 34636 1 408 . 1 . 1 44 44 GLN CA C 13 54.432 0.344 . . . . . . A 2103 GLN CA . 34636 1 409 . 1 . 1 44 44 GLN CB C 13 25.716 0.290 . . . . . . A 2103 GLN CB . 34636 1 410 . 1 . 1 44 44 GLN N N 15 119.478 0.064 . . . . . . A 2103 GLN N . 34636 1 411 . 1 . 1 45 45 ARG H H 1 8.053 0.007 . . . . . . A 2104 ARG H . 34636 1 412 . 1 . 1 45 45 ARG HA H 1 4.131 0.013 . . . . . . A 2104 ARG HA . 34636 1 413 . 1 . 1 45 45 ARG HB2 H 1 1.728 0.016 . . . . . . A 2104 ARG HB2 . 34636 1 414 . 1 . 1 45 45 ARG HB3 H 1 1.588 0.017 . . . . . . A 2104 ARG HB3 . 34636 1 415 . 1 . 1 45 45 ARG HG2 H 1 1.439 0.014 . . . . . . A 2104 ARG HG2 . 34636 1 416 . 1 . 1 45 45 ARG HD2 H 1 2.990 0.013 . . . . . . A 2104 ARG HD2 . 34636 1 417 . 1 . 1 45 45 ARG HE H 1 7.089 0.010 . . . . . . A 2104 ARG HE . 34636 1 418 . 1 . 1 45 45 ARG CA C 13 53.747 0.267 . . . . . . A 2104 ARG CA . 34636 1 419 . 1 . 1 45 45 ARG CB C 13 27.570 0.156 . . . . . . A 2104 ARG CB . 34636 1 420 . 1 . 1 45 45 ARG CG C 13 24.094 0.036 . . . . . . A 2104 ARG CG . 34636 1 421 . 1 . 1 45 45 ARG CD C 13 40.259 0.061 . . . . . . A 2104 ARG CD . 34636 1 422 . 1 . 1 45 45 ARG N N 15 120.169 0.112 . . . . . . A 2104 ARG N . 34636 1 423 . 1 . 1 46 46 SER H H 1 8.046 0.009 . . . . . . A 2105 SER H . 34636 1 424 . 1 . 1 46 46 SER HA H 1 4.328 0.012 . . . . . . A 2105 SER HA . 34636 1 425 . 1 . 1 46 46 SER HB2 H 1 3.862 0.005 . . . . . . A 2105 SER HB2 . 34636 1 426 . 1 . 1 46 46 SER HB3 H 1 3.838 0.015 . . . . . . A 2105 SER HB3 . 34636 1 427 . 1 . 1 46 46 SER CA C 13 56.261 0.196 . . . . . . A 2105 SER CA . 34636 1 428 . 1 . 1 46 46 SER CB C 13 60.780 0.190 . . . . . . A 2105 SER CB . 34636 1 429 . 1 . 1 46 46 SER N N 15 115.464 0.033 . . . . . . A 2105 SER N . 34636 1 430 . 1 . 1 47 47 GLN H H 1 8.048 0.011 . . . . . . A 2106 GLN H . 34636 1 431 . 1 . 1 47 47 GLN HA H 1 4.243 0.004 . . . . . . A 2106 GLN HA . 34636 1 432 . 1 . 1 47 47 GLN HB2 H 1 1.933 0.005 . . . . . . A 2106 GLN HB2 . 34636 1 433 . 1 . 1 47 47 GLN HB3 H 1 2.064 0.007 . . . . . . A 2106 GLN HB3 . 34636 1 434 . 1 . 1 47 47 GLN HG2 H 1 2.303 0.000 . . . . . . A 2106 GLN HG2 . 34636 1 435 . 1 . 1 47 47 GLN CA C 13 53.124 0.302 . . . . . . A 2106 GLN CA . 34636 1 436 . 1 . 1 47 47 GLN CB C 13 26.428 0.296 . . . . . . A 2106 GLN CB . 34636 1 437 . 1 . 1 47 47 GLN CG C 13 30.912 0.000 . . . . . . A 2106 GLN CG . 34636 1 438 . 1 . 1 47 47 GLN N N 15 121.110 0.024 . . . . . . A 2106 GLN N . 34636 1 439 . 1 . 1 48 48 GLN H H 1 8.130 0.005 . . . . . . A 2107 GLN H . 34636 1 440 . 1 . 1 48 48 GLN HA H 1 4.241 0.009 . . . . . . A 2107 GLN HA . 34636 1 441 . 1 . 1 48 48 GLN HB2 H 1 1.926 0.009 . . . . . . A 2107 GLN HB2 . 34636 1 442 . 1 . 1 48 48 GLN HB3 H 1 2.051 0.003 . . . . . . A 2107 GLN HB3 . 34636 1 443 . 1 . 1 48 48 GLN HG2 H 1 2.298 0.009 . . . . . . A 2107 GLN HG2 . 34636 1 444 . 1 . 1 48 48 GLN CA C 13 53.163 0.245 . . . . . . A 2107 GLN CA . 34636 1 445 . 1 . 1 48 48 GLN CB C 13 26.508 0.295 . . . . . . A 2107 GLN CB . 34636 1 446 . 1 . 1 48 48 GLN CG C 13 31.090 0.000 . . . . . . A 2107 GLN CG . 34636 1 447 . 1 . 1 48 48 GLN N N 15 120.507 0.024 . . . . . . A 2107 GLN N . 34636 1 448 . 1 . 1 49 49 GLN H H 1 8.279 0.006 . . . . . . A 2108 GLN H . 34636 1 449 . 1 . 1 49 49 GLN HA H 1 4.246 0.007 . . . . . . A 2108 GLN HA . 34636 1 450 . 1 . 1 49 49 GLN HB2 H 1 1.924 0.005 . . . . . . A 2108 GLN HB2 . 34636 1 451 . 1 . 1 49 49 GLN HB3 H 1 2.050 0.003 . . . . . . A 2108 GLN HB3 . 34636 1 452 . 1 . 1 49 49 GLN HG2 H 1 2.298 0.005 . . . . . . A 2108 GLN HG2 . 34636 1 453 . 1 . 1 49 49 GLN CA C 13 52.858 0.315 . . . . . . A 2108 GLN CA . 34636 1 454 . 1 . 1 49 49 GLN CB C 13 26.661 0.161 . . . . . . A 2108 GLN CB . 34636 1 455 . 1 . 1 49 49 GLN CG C 13 31.151 0.000 . . . . . . A 2108 GLN CG . 34636 1 456 . 1 . 1 49 49 GLN N N 15 121.888 0.048 . . . . . . A 2108 GLN N . 34636 1 457 . 1 . 1 50 50 GLN H H 1 7.988 0.005 . . . . . . A 2109 GLN H . 34636 1 458 . 1 . 1 50 50 GLN HA H 1 4.087 0.013 . . . . . . A 2109 GLN HA . 34636 1 459 . 1 . 1 50 50 GLN HB2 H 1 1.846 0.009 . . . . . . A 2109 GLN HB2 . 34636 1 460 . 1 . 1 50 50 GLN HB3 H 1 2.042 0.016 . . . . . . A 2109 GLN HB3 . 34636 1 461 . 1 . 1 50 50 GLN HG2 H 1 2.217 0.010 . . . . . . A 2109 GLN HG2 . 34636 1 462 . 1 . 1 50 50 GLN HG3 H 1 2.281 0.005 . . . . . . A 2109 GLN HG3 . 34636 1 463 . 1 . 1 50 50 GLN CA C 13 54.544 0.250 . . . . . . A 2109 GLN CA . 34636 1 464 . 1 . 1 50 50 GLN CB C 13 27.698 0.204 . . . . . . A 2109 GLN CB . 34636 1 465 . 1 . 1 50 50 GLN CG C 13 31.583 0.000 . . . . . . A 2109 GLN CG . 34636 1 466 . 1 . 1 50 50 GLN N N 15 126.982 0.016 . . . . . . A 2109 GLN N . 34636 1 stop_ save_