data_51547 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51547 _Entry.Title ; Near complete 1H, 15N and 13C resonance assignments of the MBD double mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-04 _Entry.Accession_date 2022-08-04 _Entry.Last_release_date 2022-08-04 _Entry.Original_release_date 2022-08-04 _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 _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 Himanshu Singh . . . . 51547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 51547 '15N chemical shifts' 82 51547 '1H chemical shifts' 493 51547 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 . . 2024-09-09 2022-08-04 update BMRB 'update entry citation' 51547 1 . . 2022-08-12 2022-08-04 original author 'original release' 51547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51548 'wild-type MBD from MeCP2' 51547 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51547 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36919612 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Epigenetic CpG duplex marks probed by an evolved DNA reader via a well-tempered conformational plasticity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 51 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 6495 _Citation.Page_last 6506 _Citation.Year 2023 _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 Himanshu Singh H. . . . 51547 1 2 Chandan Das C. K. . . 51547 1 3 Benjamin Buchmuller B. C. . . 51547 1 4 Lars Schafer L. V. . . 51547 1 5 Daniel Summerer D. . . . 51547 1 6 Rasmus Linser R. . . . 51547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51547 _Assembly.ID 1 _Assembly.Name MeCP2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 MBD 1 $entity_1 . . yes native no no . . . 51547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51547 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLEDRGPMYDDPTLPEGWTR KLTQRKSGRSAGKYDVYLIN PQGKAFRNKVELIAYFEKVG DTSLDPNDFDFTVTGRGSPS RREQKPPKKPKSPKATSHHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 51547 1 2 . LEU . 51547 1 3 . GLU . 51547 1 4 . ASP . 51547 1 5 . ARG . 51547 1 6 . GLY . 51547 1 7 . PRO . 51547 1 8 . MET . 51547 1 9 . TYR . 51547 1 10 . ASP . 51547 1 11 . ASP . 51547 1 12 . PRO . 51547 1 13 . THR . 51547 1 14 . LEU . 51547 1 15 . PRO . 51547 1 16 . GLU . 51547 1 17 . GLY . 51547 1 18 . TRP . 51547 1 19 . THR . 51547 1 20 . ARG . 51547 1 21 . LYS . 51547 1 22 . LEU . 51547 1 23 . THR . 51547 1 24 . GLN . 51547 1 25 . ARG . 51547 1 26 . LYS . 51547 1 27 . SER . 51547 1 28 . GLY . 51547 1 29 . ARG . 51547 1 30 . SER . 51547 1 31 . ALA . 51547 1 32 . GLY . 51547 1 33 . LYS . 51547 1 34 . TYR . 51547 1 35 . ASP . 51547 1 36 . VAL . 51547 1 37 . TYR . 51547 1 38 . LEU . 51547 1 39 . ILE . 51547 1 40 . ASN . 51547 1 41 . PRO . 51547 1 42 . GLN . 51547 1 43 . GLY . 51547 1 44 . LYS . 51547 1 45 . ALA . 51547 1 46 . PHE . 51547 1 47 . ARG . 51547 1 48 . ASN . 51547 1 49 . LYS . 51547 1 50 . VAL . 51547 1 51 . GLU . 51547 1 52 . LEU . 51547 1 53 . ILE . 51547 1 54 . ALA . 51547 1 55 . TYR . 51547 1 56 . PHE . 51547 1 57 . GLU . 51547 1 58 . LYS . 51547 1 59 . VAL . 51547 1 60 . GLY . 51547 1 61 . ASP . 51547 1 62 . THR . 51547 1 63 . SER . 51547 1 64 . LEU . 51547 1 65 . ASP . 51547 1 66 . PRO . 51547 1 67 . ASN . 51547 1 68 . ASP . 51547 1 69 . PHE . 51547 1 70 . ASP . 51547 1 71 . PHE . 51547 1 72 . THR . 51547 1 73 . VAL . 51547 1 74 . THR . 51547 1 75 . GLY . 51547 1 76 . ARG . 51547 1 77 . GLY . 51547 1 78 . SER . 51547 1 79 . PRO . 51547 1 80 . SER . 51547 1 81 . ARG . 51547 1 82 . ARG . 51547 1 83 . GLU . 51547 1 84 . GLN . 51547 1 85 . LYS . 51547 1 86 . PRO . 51547 1 87 . PRO . 51547 1 88 . LYS . 51547 1 89 . LYS . 51547 1 90 . PRO . 51547 1 91 . LYS . 51547 1 92 . SER . 51547 1 93 . PRO . 51547 1 94 . LYS . 51547 1 95 . ALA . 51547 1 96 . THR . 51547 1 97 . SER . 51547 1 98 . HIS . 51547 1 99 . HIS . 51547 1 100 . HIS . 51547 1 101 . HIS . 51547 1 102 . HIS . 51547 1 103 . HIS . 51547 1 104 . HIS . 51547 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 . SER 1 1 51547 1 . LEU 2 2 51547 1 . GLU 3 3 51547 1 . ASP 4 4 51547 1 . ARG 5 5 51547 1 . GLY 6 6 51547 1 . PRO 7 7 51547 1 . MET 8 8 51547 1 . TYR 9 9 51547 1 . ASP 10 10 51547 1 . ASP 11 11 51547 1 . PRO 12 12 51547 1 . THR 13 13 51547 1 . LEU 14 14 51547 1 . PRO 15 15 51547 1 . GLU 16 16 51547 1 . GLY 17 17 51547 1 . TRP 18 18 51547 1 . THR 19 19 51547 1 . ARG 20 20 51547 1 . LYS 21 21 51547 1 . LEU 22 22 51547 1 . THR 23 23 51547 1 . GLN 24 24 51547 1 . ARG 25 25 51547 1 . LYS 26 26 51547 1 . SER 27 27 51547 1 . GLY 28 28 51547 1 . ARG 29 29 51547 1 . SER 30 30 51547 1 . ALA 31 31 51547 1 . GLY 32 32 51547 1 . LYS 33 33 51547 1 . TYR 34 34 51547 1 . ASP 35 35 51547 1 . VAL 36 36 51547 1 . TYR 37 37 51547 1 . LEU 38 38 51547 1 . ILE 39 39 51547 1 . ASN 40 40 51547 1 . PRO 41 41 51547 1 . GLN 42 42 51547 1 . GLY 43 43 51547 1 . LYS 44 44 51547 1 . ALA 45 45 51547 1 . PHE 46 46 51547 1 . ARG 47 47 51547 1 . ASN 48 48 51547 1 . LYS 49 49 51547 1 . VAL 50 50 51547 1 . GLU 51 51 51547 1 . LEU 52 52 51547 1 . ILE 53 53 51547 1 . ALA 54 54 51547 1 . TYR 55 55 51547 1 . PHE 56 56 51547 1 . GLU 57 57 51547 1 . LYS 58 58 51547 1 . VAL 59 59 51547 1 . GLY 60 60 51547 1 . ASP 61 61 51547 1 . THR 62 62 51547 1 . SER 63 63 51547 1 . LEU 64 64 51547 1 . ASP 65 65 51547 1 . PRO 66 66 51547 1 . ASN 67 67 51547 1 . ASP 68 68 51547 1 . PHE 69 69 51547 1 . ASP 70 70 51547 1 . PHE 71 71 51547 1 . THR 72 72 51547 1 . VAL 73 73 51547 1 . THR 74 74 51547 1 . GLY 75 75 51547 1 . ARG 76 76 51547 1 . GLY 77 77 51547 1 . SER 78 78 51547 1 . PRO 79 79 51547 1 . SER 80 80 51547 1 . ARG 81 81 51547 1 . ARG 82 82 51547 1 . GLU 83 83 51547 1 . GLN 84 84 51547 1 . LYS 85 85 51547 1 . PRO 86 86 51547 1 . PRO 87 87 51547 1 . LYS 88 88 51547 1 . LYS 89 89 51547 1 . PRO 90 90 51547 1 . LYS 91 91 51547 1 . SER 92 92 51547 1 . PRO 93 93 51547 1 . LYS 94 94 51547 1 . ALA 95 95 51547 1 . THR 96 96 51547 1 . SER 97 97 51547 1 . HIS 98 98 51547 1 . HIS 99 99 51547 1 . HIS 100 100 51547 1 . HIS 101 101 51547 1 . HIS 102 102 51547 1 . HIS 103 103 51547 1 . HIS 104 104 51547 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51547 _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 . . . . . . . . . . . . . 51547 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51547 _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' . . . Escherichia coli . . . plasmid . . pET28a . . . 51547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51547 _Sample.ID 1 _Sample.Name MBD_TVN _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 MBD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51547 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 51547 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51547 1 pH 291 . pH 51547 1 pressure 1 . atm 51547 1 temperature 291 . K 51547 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51547 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51547 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 51547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51547 _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 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51547 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 51547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 51547 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 51547 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51547 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 51547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Double mut MBD' _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 '2D 1H-15N HSQC' . . . 51547 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51547 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 5 5 ARG CA C 13 56.23 0.3 . 1 . . . . . 5 ARG CA . 51547 1 2 . 1 . 1 5 5 ARG CD C 13 40.968 0.3 . 1 . . . . . 5 ARG CD . 51547 1 3 . 1 . 1 5 5 ARG N N 15 121.335 0.3 . 1 . . . . . 5 ARG N . 51547 1 4 . 1 . 1 6 6 GLY H H 1 8.204 0.020 . 1 . . . . . 6 GLY H . 51547 1 5 . 1 . 1 6 6 GLY HA2 H 1 4.002 0.020 . 2 . . . . . 6 GLY HA2 . 51547 1 6 . 1 . 1 6 6 GLY HA3 H 1 3.766 0.020 . 2 . . . . . 6 GLY HA3 . 51547 1 7 . 1 . 1 6 6 GLY CA C 13 44.31 0.3 . 1 . . . . . 6 GLY CA . 51547 1 8 . 1 . 1 6 6 GLY N N 15 109.222 0.3 . 1 . . . . . 6 GLY N . 51547 1 9 . 1 . 1 7 7 PRO HA H 1 3.52 0.020 . 1 . . . . . 7 PRO HA . 51547 1 10 . 1 . 1 7 7 PRO HB2 H 1 0.918 0.020 . 2 . . . . . 7 PRO HB2 . 51547 1 11 . 1 . 1 7 7 PRO HB3 H 1 0.594 0.020 . 2 . . . . . 7 PRO HB3 . 51547 1 12 . 1 . 1 7 7 PRO HG2 H 1 1.49 0.020 . 2 . . . . . 7 PRO HG2 . 51547 1 13 . 1 . 1 7 7 PRO HG3 H 1 1.317 0.020 . 2 . . . . . 7 PRO HG3 . 51547 1 14 . 1 . 1 7 7 PRO HD2 H 1 3.29 0.020 . 2 . . . . . 7 PRO HD2 . 51547 1 15 . 1 . 1 7 7 PRO HD3 H 1 3.282 0.020 . 2 . . . . . 7 PRO HD3 . 51547 1 16 . 1 . 1 7 7 PRO CA C 13 62.871 0.3 . 1 . . . . . 7 PRO CA . 51547 1 17 . 1 . 1 7 7 PRO CB C 13 32 0.3 . 1 . . . . . 7 PRO CB . 51547 1 18 . 1 . 1 7 7 PRO CG C 13 24.583 0.3 . 1 . . . . . 7 PRO CG . 51547 1 19 . 1 . 1 7 7 PRO CD C 13 47.14 0.3 . 1 . . . . . 7 PRO CD . 51547 1 20 . 1 . 1 9 9 TYR HA H 1 4.011 0.020 . 1 . . . . . 9 TYR HA . 51547 1 21 . 1 . 1 9 9 TYR HB2 H 1 2.94 0.020 . 2 . . . . . 9 TYR HB2 . 51547 1 22 . 1 . 1 9 9 TYR HB3 H 1 2.59 0.020 . 2 . . . . . 9 TYR HB3 . 51547 1 23 . 1 . 1 9 9 TYR HD1 H 1 7.054 0.020 . 1 . . . . . 9 TYR HD1 . 51547 1 24 . 1 . 1 9 9 TYR HD2 H 1 7.054 0.020 . 1 . . . . . 9 TYR HD2 . 51547 1 25 . 1 . 1 9 9 TYR HE1 H 1 6.575 0.020 . 1 . . . . . 9 TYR HE1 . 51547 1 26 . 1 . 1 9 9 TYR HE2 H 1 6.575 0.020 . 1 . . . . . 9 TYR HE2 . 51547 1 27 . 1 . 1 9 9 TYR CA C 13 61.244 0.3 . 1 . . . . . 9 TYR CA . 51547 1 28 . 1 . 1 9 9 TYR CB C 13 39.064 0.3 . 1 . . . . . 9 TYR CB . 51547 1 29 . 1 . 1 9 9 TYR CD1 C 13 130.432 0.3 . 1 . . . . . 9 TYR CD1 . 51547 1 30 . 1 . 1 9 9 TYR CE1 C 13 115.171 0.3 . 1 . . . . . 9 TYR CE1 . 51547 1 31 . 1 . 1 10 10 ASP H H 1 7.456 0.020 . 1 . . . . . 10 ASP H . 51547 1 32 . 1 . 1 10 10 ASP HA H 1 4.768 0.020 . 1 . . . . . 10 ASP HA . 51547 1 33 . 1 . 1 10 10 ASP HB2 H 1 2.514 0.020 . 2 . . . . . 10 ASP HB2 . 51547 1 34 . 1 . 1 10 10 ASP HB3 H 1 2.338 0.020 . 2 . . . . . 10 ASP HB3 . 51547 1 35 . 1 . 1 10 10 ASP CA C 13 52.863 0.3 . 1 . . . . . 10 ASP CA . 51547 1 36 . 1 . 1 10 10 ASP CB C 13 44.169 0.3 . 1 . . . . . 10 ASP CB . 51547 1 37 . 1 . 1 10 10 ASP N N 15 115.721 0.3 . 1 . . . . . 10 ASP N . 51547 1 38 . 1 . 1 11 11 ASP H H 1 8.699 0.020 . 1 . . . . . 11 ASP H . 51547 1 39 . 1 . 1 11 11 ASP HA H 1 4.761 0.020 . 1 . . . . . 11 ASP HA . 51547 1 40 . 1 . 1 11 11 ASP HB2 H 1 2.399 0.020 . 1 . . . . . 11 ASP HB2 . 51547 1 41 . 1 . 1 11 11 ASP CA C 13 50.175 0.3 . 1 . . . . . 11 ASP CA . 51547 1 42 . 1 . 1 11 11 ASP CB C 13 42.553 0.3 . 1 . . . . . 11 ASP CB . 51547 1 43 . 1 . 1 11 11 ASP N N 15 118.843 0.3 . 1 . . . . . 11 ASP N . 51547 1 44 . 1 . 1 12 12 PRO HA H 1 4.441 0.020 . 1 . . . . . 12 PRO HA . 51547 1 45 . 1 . 1 12 12 PRO HB2 H 1 2.22 0.020 . 2 . . . . . 12 PRO HB2 . 51547 1 46 . 1 . 1 12 12 PRO HB3 H 1 1.911 0.020 . 2 . . . . . 12 PRO HB3 . 51547 1 47 . 1 . 1 12 12 PRO HG2 H 1 1.927 0.020 . 2 . . . . . 12 PRO HG2 . 51547 1 48 . 1 . 1 12 12 PRO HG3 H 1 1.8 0.020 . 2 . . . . . 12 PRO HG3 . 51547 1 49 . 1 . 1 12 12 PRO HD2 H 1 3.911 0.020 . 2 . . . . . 12 PRO HD2 . 51547 1 50 . 1 . 1 12 12 PRO HD3 H 1 3.637 0.020 . 2 . . . . . 12 PRO HD3 . 51547 1 51 . 1 . 1 12 12 PRO CA C 13 63.7 0.3 . 1 . . . . . 12 PRO CA . 51547 1 52 . 1 . 1 12 12 PRO CB C 13 32.561 0.3 . 1 . . . . . 12 PRO CB . 51547 1 53 . 1 . 1 12 12 PRO CG C 13 24.197 0.3 . 1 . . . . . 12 PRO CG . 51547 1 54 . 1 . 1 12 12 PRO CD C 13 48.21 0.3 . 1 . . . . . 12 PRO CD . 51547 1 55 . 1 . 1 13 13 THR H H 1 8.243 0.020 . 1 . . . . . 13 THR H . 51547 1 56 . 1 . 1 13 13 THR HA H 1 4.138 0.020 . 1 . . . . . 13 THR HA . 51547 1 57 . 1 . 1 13 13 THR HB H 1 4.018 0.020 . 1 . . . . . 13 THR HB . 51547 1 58 . 1 . 1 13 13 THR HG21 H 1 0.96 0.020 . 1 . . . . . 13 THR HG2 . 51547 1 59 . 1 . 1 13 13 THR HG22 H 1 0.96 0.020 . 1 . . . . . 13 THR HG2 . 51547 1 60 . 1 . 1 13 13 THR HG23 H 1 0.96 0.020 . 1 . . . . . 13 THR HG2 . 51547 1 61 . 1 . 1 13 13 THR CA C 13 62.351 0.3 . 1 . . . . . 13 THR CA . 51547 1 62 . 1 . 1 13 13 THR CB C 13 69.19 0.3 . 1 . . . . . 13 THR CB . 51547 1 63 . 1 . 1 13 13 THR CG2 C 13 19.28 0.3 . 1 . . . . . 13 THR CG2 . 51547 1 64 . 1 . 1 13 13 THR N N 15 109.974 0.3 . 1 . . . . . 13 THR N . 51547 1 65 . 1 . 1 14 14 LEU H H 1 6.755 0.020 . 1 . . . . . 14 LEU H . 51547 1 66 . 1 . 1 14 14 LEU HA H 1 3.988 0.020 . 1 . . . . . 14 LEU HA . 51547 1 67 . 1 . 1 14 14 LEU HB2 H 1 1.523 0.020 . 2 . . . . . 14 LEU HB2 . 51547 1 68 . 1 . 1 14 14 LEU HB3 H 1 1.261 0.020 . 2 . . . . . 14 LEU HB3 . 51547 1 69 . 1 . 1 14 14 LEU HG H 1 1.515 0.020 . 1 . . . . . 14 LEU HG . 51547 1 70 . 1 . 1 14 14 LEU HD11 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD1 . 51547 1 71 . 1 . 1 14 14 LEU HD12 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD1 . 51547 1 72 . 1 . 1 14 14 LEU HD13 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD1 . 51547 1 73 . 1 . 1 14 14 LEU HD21 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD2 . 51547 1 74 . 1 . 1 14 14 LEU HD22 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD2 . 51547 1 75 . 1 . 1 14 14 LEU HD23 H 1 0.66 0.020 . 1 . . . . . 14 LEU HD2 . 51547 1 76 . 1 . 1 14 14 LEU CA C 13 53.586 0.3 . 1 . . . . . 14 LEU CA . 51547 1 77 . 1 . 1 14 14 LEU CB C 13 42.101 0.3 . 1 . . . . . 14 LEU CB . 51547 1 78 . 1 . 1 14 14 LEU CG C 13 24.927 0.3 . 1 . . . . . 14 LEU CG . 51547 1 79 . 1 . 1 14 14 LEU CD1 C 13 24.067 0.3 . 1 . . . . . 14 LEU CD1 . 51547 1 80 . 1 . 1 14 14 LEU CD2 C 13 22.291 0.3 . 1 . . . . . 14 LEU CD2 . 51547 1 81 . 1 . 1 14 14 LEU N N 15 124.072 0.3 . 1 . . . . . 14 LEU N . 51547 1 82 . 1 . 1 15 15 PRO HA H 1 4.197 0.020 . 1 . . . . . 15 PRO HA . 51547 1 83 . 1 . 1 15 15 PRO HB2 H 1 1.844 0.020 . 2 . . . . . 15 PRO HB2 . 51547 1 84 . 1 . 1 15 15 PRO HB3 H 1 1.657 0.020 . 2 . . . . . 15 PRO HB3 . 51547 1 85 . 1 . 1 15 15 PRO HG2 H 1 2.344 0.020 . 1 . . . . . 15 PRO HG2 . 51547 1 86 . 1 . 1 15 15 PRO HG3 H 1 2.344 0.020 . 1 . . . . . 15 PRO HG3 . 51547 1 87 . 1 . 1 15 15 PRO HD2 H 1 3.043 0.020 . 1 . . . . . 15 PRO HD2 . 51547 1 88 . 1 . 1 15 15 PRO HD3 H 1 3.043 0.020 . 1 . . . . . 15 PRO HD3 . 51547 1 89 . 1 . 1 15 15 PRO CA C 13 62.364 0.3 . 1 . . . . . 15 PRO CA . 51547 1 90 . 1 . 1 15 15 PRO CB C 13 31.416 0.3 . 1 . . . . . 15 PRO CB . 51547 1 91 . 1 . 1 15 15 PRO CG C 13 25.174 0.3 . 1 . . . . . 15 PRO CG . 51547 1 92 . 1 . 1 15 15 PRO CD C 13 47.414 0.3 . 1 . . . . . 15 PRO CD . 51547 1 93 . 1 . 1 16 16 GLU H H 1 8.267 0.020 . 1 . . . . . 16 GLU H . 51547 1 94 . 1 . 1 16 16 GLU HA H 1 4.111 0.020 . 1 . . . . . 16 GLU HA . 51547 1 95 . 1 . 1 16 16 GLU HB2 H 1 1.96 0.020 . 2 . . . . . 16 GLU HB2 . 51547 1 96 . 1 . 1 16 16 GLU HB3 H 1 1.85 0.020 . 2 . . . . . 16 GLU HB3 . 51547 1 97 . 1 . 1 16 16 GLU HG2 H 1 2.194 0.020 . 1 . . . . . 16 GLU HG2 . 51547 1 98 . 1 . 1 16 16 GLU HG3 H 1 2.194 0.020 . 1 . . . . . 16 GLU HG3 . 51547 1 99 . 1 . 1 16 16 GLU CA C 13 58.518 0.3 . 1 . . . . . 16 GLU CA . 51547 1 100 . 1 . 1 16 16 GLU CB C 13 29.901 0.3 . 1 . . . . . 16 GLU CB . 51547 1 101 . 1 . 1 16 16 GLU CG C 13 33.498 0.3 . 1 . . . . . 16 GLU CG . 51547 1 102 . 1 . 1 16 16 GLU N N 15 120.439 0.3 . 1 . . . . . 16 GLU N . 51547 1 103 . 1 . 1 17 17 GLY H H 1 8.799 0.020 . 1 . . . . . 17 GLY H . 51547 1 104 . 1 . 1 17 17 GLY HA2 H 1 4.179 0.020 . 2 . . . . . 17 GLY HA2 . 51547 1 105 . 1 . 1 17 17 GLY HA3 H 1 3.542 0.020 . 2 . . . . . 17 GLY HA3 . 51547 1 106 . 1 . 1 17 17 GLY CA C 13 45.679 0.3 . 1 . . . . . 17 GLY CA . 51547 1 107 . 1 . 1 17 17 GLY N N 15 114.275 0.3 . 1 . . . . . 17 GLY N . 51547 1 108 . 1 . 1 18 18 TRP H H 1 8.354 0.020 . 1 . . . . . 18 TRP H . 51547 1 109 . 1 . 1 18 18 TRP HA H 1 5.022 0.020 . 1 . . . . . 18 TRP HA . 51547 1 110 . 1 . 1 18 18 TRP HB2 H 1 3.36 0.020 . 2 . . . . . 18 TRP HB2 . 51547 1 111 . 1 . 1 18 18 TRP HB3 H 1 3.083 0.020 . 2 . . . . . 18 TRP HB3 . 51547 1 112 . 1 . 1 18 18 TRP HD1 H 1 7.137 0.020 . 1 . . . . . 18 TRP HD1 . 51547 1 113 . 1 . 1 18 18 TRP HE1 H 1 10.622 0.020 . 1 . . . . . 18 TRP HE1 . 51547 1 114 . 1 . 1 18 18 TRP HE3 H 1 7.283 0.020 . 1 . . . . . 18 TRP HE3 . 51547 1 115 . 1 . 1 18 18 TRP HZ2 H 1 7.666 0.020 . 1 . . . . . 18 TRP HZ2 . 51547 1 116 . 1 . 1 18 18 TRP HZ3 H 1 6.58 0.020 . 1 . . . . . 18 TRP HZ3 . 51547 1 117 . 1 . 1 18 18 TRP HH2 H 1 6.539 0.020 . 1 . . . . . 18 TRP HH2 . 51547 1 118 . 1 . 1 18 18 TRP CA C 13 57.648 0.3 . 1 . . . . . 18 TRP CA . 51547 1 119 . 1 . 1 18 18 TRP CB C 13 30.161 0.3 . 1 . . . . . 18 TRP CB . 51547 1 120 . 1 . 1 18 18 TRP N N 15 122.001 0.3 . 1 . . . . . 18 TRP N . 51547 1 121 . 1 . 1 18 18 TRP NE1 N 15 131.054 0.3 . 1 . . . . . 18 TRP NE1 . 51547 1 122 . 1 . 1 19 19 THR H H 1 9.073 0.020 . 1 . . . . . 19 THR H . 51547 1 123 . 1 . 1 19 19 THR HA H 1 4.572 0.020 . 1 . . . . . 19 THR HA . 51547 1 124 . 1 . 1 19 19 THR HB H 1 3.927 0.020 . 1 . . . . . 19 THR HB . 51547 1 125 . 1 . 1 19 19 THR HG21 H 1 0.925 0.020 . 1 . . . . . 19 THR HG2 . 51547 1 126 . 1 . 1 19 19 THR HG22 H 1 0.925 0.020 . 1 . . . . . 19 THR HG2 . 51547 1 127 . 1 . 1 19 19 THR HG23 H 1 0.925 0.020 . 1 . . . . . 19 THR HG2 . 51547 1 128 . 1 . 1 19 19 THR CA C 13 61.08 0.3 . 1 . . . . . 19 THR CA . 51547 1 129 . 1 . 1 19 19 THR CB C 13 72.998 0.3 . 1 . . . . . 19 THR CB . 51547 1 130 . 1 . 1 19 19 THR CG2 C 13 19.938 0.3 . 1 . . . . . 19 THR CG2 . 51547 1 131 . 1 . 1 19 19 THR N N 15 112.706 0.3 . 1 . . . . . 19 THR N . 51547 1 132 . 1 . 1 20 20 ARG H H 1 8.044 0.020 . 1 . . . . . 20 ARG H . 51547 1 133 . 1 . 1 20 20 ARG HA H 1 5.249 0.020 . 1 . . . . . 20 ARG HA . 51547 1 134 . 1 . 1 20 20 ARG HB2 H 1 1.759 0.020 . 2 . . . . . 20 ARG HB2 . 51547 1 135 . 1 . 1 20 20 ARG HB3 H 1 1.571 0.020 . 2 . . . . . 20 ARG HB3 . 51547 1 136 . 1 . 1 20 20 ARG HG2 H 1 1.39 0.020 . 1 . . . . . 20 ARG HG2 . 51547 1 137 . 1 . 1 20 20 ARG HG3 H 1 1.39 0.020 . 1 . . . . . 20 ARG HG3 . 51547 1 138 . 1 . 1 20 20 ARG HD2 H 1 2.997 0.020 . 1 . . . . . 20 ARG HD2 . 51547 1 139 . 1 . 1 20 20 ARG HD3 H 1 2.997 0.020 . 1 . . . . . 20 ARG HD3 . 51547 1 140 . 1 . 1 20 20 ARG HE H 1 7.06 0.020 . 1 . . . . . 20 ARG HE . 51547 1 141 . 1 . 1 20 20 ARG CA C 13 54.461 0.3 . 1 . . . . . 20 ARG CA . 51547 1 142 . 1 . 1 20 20 ARG CB C 13 34.019 0.3 . 1 . . . . . 20 ARG CB . 51547 1 143 . 1 . 1 20 20 ARG CG C 13 24.825 0.3 . 1 . . . . . 20 ARG CG . 51547 1 144 . 1 . 1 20 20 ARG CD C 13 41.496 0.3 . 1 . . . . . 20 ARG CD . 51547 1 145 . 1 . 1 20 20 ARG N N 15 121.095 0.3 . 1 . . . . . 20 ARG N . 51547 1 146 . 1 . 1 21 21 LYS H H 1 9.292 0.020 . 1 . . . . . 21 LYS H . 51547 1 147 . 1 . 1 21 21 LYS HA H 1 4.661 0.020 . 1 . . . . . 21 LYS HA . 51547 1 148 . 1 . 1 21 21 LYS HB2 H 1 1.609 0.020 . 2 . . . . . 21 LYS HB2 . 51547 1 149 . 1 . 1 21 21 LYS HB3 H 1 1.394 0.020 . 2 . . . . . 21 LYS HB3 . 51547 1 150 . 1 . 1 21 21 LYS HG2 H 1 1.205 0.020 . 1 . . . . . 21 LYS HG2 . 51547 1 151 . 1 . 1 21 21 LYS HG3 H 1 1.205 0.020 . 1 . . . . . 21 LYS HG3 . 51547 1 152 . 1 . 1 21 21 LYS HE2 H 1 2.728 0.020 . 1 . . . . . 21 LYS HE2 . 51547 1 153 . 1 . 1 21 21 LYS HE3 H 1 2.728 0.020 . 1 . . . . . 21 LYS HE3 . 51547 1 154 . 1 . 1 21 21 LYS CA C 13 55.104 0.3 . 1 . . . . . 21 LYS CA . 51547 1 155 . 1 . 1 21 21 LYS CB C 13 36.365 0.3 . 1 . . . . . 21 LYS CB . 51547 1 156 . 1 . 1 21 21 LYS CG C 13 22.57 0.3 . 1 . . . . . 21 LYS CG . 51547 1 157 . 1 . 1 21 21 LYS CE C 13 39.572 0.3 . 1 . . . . . 21 LYS CE . 51547 1 158 . 1 . 1 21 21 LYS N N 15 125.505 0.3 . 1 . . . . . 21 LYS N . 51547 1 159 . 1 . 1 22 22 LEU H H 1 8.989 0.020 . 1 . . . . . 22 LEU H . 51547 1 160 . 1 . 1 22 22 LEU HA H 1 5.293 0.020 . 1 . . . . . 22 LEU HA . 51547 1 161 . 1 . 1 22 22 LEU HB2 H 1 1.523 0.020 . 2 . . . . . 22 LEU HB2 . 51547 1 162 . 1 . 1 22 22 LEU HB3 H 1 1.432 0.020 . 2 . . . . . 22 LEU HB3 . 51547 1 163 . 1 . 1 22 22 LEU HG H 1 1.421 0.020 . 1 . . . . . 22 LEU HG . 51547 1 164 . 1 . 1 22 22 LEU CA C 13 54.294 0.3 . 1 . . . . . 22 LEU CA . 51547 1 165 . 1 . 1 22 22 LEU CB C 13 43.725 0.3 . 1 . . . . . 22 LEU CB . 51547 1 166 . 1 . 1 22 22 LEU CG C 13 26.925 0.3 . 1 . . . . . 22 LEU CG . 51547 1 167 . 1 . 1 22 22 LEU CD1 C 13 23.199 0.3 . 1 . . . . . 22 LEU CD1 . 51547 1 168 . 1 . 1 22 22 LEU CD2 C 13 23.3 0.3 . 1 . . . . . 22 LEU CD2 . 51547 1 169 . 1 . 1 22 22 LEU N N 15 128.208 0.3 . 1 . . . . . 22 LEU N . 51547 1 170 . 1 . 1 23 23 THR H H 1 8.843 0.020 . 1 . . . . . 23 THR H . 51547 1 171 . 1 . 1 23 23 THR HA H 1 4.607 0.020 . 1 . . . . . 23 THR HA . 51547 1 172 . 1 . 1 23 23 THR HB H 1 4.007 0.020 . 1 . . . . . 23 THR HB . 51547 1 173 . 1 . 1 23 23 THR HG21 H 1 1.008 0.020 . 1 . . . . . 23 THR HG2 . 51547 1 174 . 1 . 1 23 23 THR HG22 H 1 1.008 0.020 . 1 . . . . . 23 THR HG2 . 51547 1 175 . 1 . 1 23 23 THR HG23 H 1 1.008 0.020 . 1 . . . . . 23 THR HG2 . 51547 1 176 . 1 . 1 23 23 THR CA C 13 60.744 0.3 . 1 . . . . . 23 THR CA . 51547 1 177 . 1 . 1 23 23 THR CB C 13 71.383 0.3 . 1 . . . . . 23 THR CB . 51547 1 178 . 1 . 1 23 23 THR CG2 C 13 22.582 0.3 . 1 . . . . . 23 THR CG2 . 51547 1 179 . 1 . 1 23 23 THR N N 15 117.23 0.3 . 1 . . . . . 23 THR N . 51547 1 180 . 1 . 1 24 24 GLN H H 1 8.902 0.020 . 1 . . . . . 24 GLN H . 51547 1 181 . 1 . 1 24 24 GLN HA H 1 4.091 0.020 . 1 . . . . . 24 GLN HA . 51547 1 182 . 1 . 1 24 24 GLN HB2 H 1 1.727 0.020 . 2 . . . . . 24 GLN HB2 . 51547 1 183 . 1 . 1 24 24 GLN HB3 H 1 1.524 0.020 . 2 . . . . . 24 GLN HB3 . 51547 1 184 . 1 . 1 24 24 GLN HG2 H 1 1.78 0.020 . 2 . . . . . 24 GLN HG2 . 51547 1 185 . 1 . 1 24 24 GLN HG3 H 1 1.459 0.020 . 2 . . . . . 24 GLN HG3 . 51547 1 186 . 1 . 1 24 24 GLN HE21 H 1 7.061 0.020 . 1 . . . . . 24 GLN HE21 . 51547 1 187 . 1 . 1 24 24 GLN HE22 H 1 6.717 0.020 . 1 . . . . . 24 GLN HE22 . 51547 1 188 . 1 . 1 24 24 GLN CA C 13 55.56 0.3 . 1 . . . . . 24 GLN CA . 51547 1 189 . 1 . 1 24 24 GLN CB C 13 30.488 0.3 . 1 . . . . . 24 GLN CB . 51547 1 190 . 1 . 1 24 24 GLN CG C 13 31.623 0.3 . 1 . . . . . 24 GLN CG . 51547 1 191 . 1 . 1 24 24 GLN N N 15 126.153 0.3 . 1 . . . . . 24 GLN N . 51547 1 192 . 1 . 1 24 24 GLN NE2 N 15 111.533 0.3 . 1 . . . . . 24 GLN NE2 . 51547 1 193 . 1 . 1 25 25 ARG H H 1 8.641 0.020 . 1 . . . . . 25 ARG H . 51547 1 194 . 1 . 1 25 25 ARG HA H 1 4.162 0.020 . 1 . . . . . 25 ARG HA . 51547 1 195 . 1 . 1 25 25 ARG HB2 H 1 1.725 0.020 . 2 . . . . . 25 ARG HB2 . 51547 1 196 . 1 . 1 25 25 ARG HB3 H 1 1.65 0.020 . 2 . . . . . 25 ARG HB3 . 51547 1 197 . 1 . 1 25 25 ARG HG2 H 1 1.525 0.020 . 1 . . . . . 25 ARG HG2 . 51547 1 198 . 1 . 1 25 25 ARG HG3 H 1 1.525 0.020 . 1 . . . . . 25 ARG HG3 . 51547 1 199 . 1 . 1 25 25 ARG HD2 H 1 2.906 0.020 . 1 . . . . . 25 ARG HD2 . 51547 1 200 . 1 . 1 25 25 ARG HD3 H 1 2.906 0.020 . 1 . . . . . 25 ARG HD3 . 51547 1 201 . 1 . 1 25 25 ARG HE H 1 7.826 0.020 . 1 . . . . . 25 ARG HE . 51547 1 202 . 1 . 1 25 25 ARG CA C 13 56.529 0.3 . 1 . . . . . 25 ARG CA . 51547 1 203 . 1 . 1 25 25 ARG CB C 13 30.586 0.3 . 1 . . . . . 25 ARG CB . 51547 1 204 . 1 . 1 25 25 ARG CD C 13 40.719 0.3 . 1 . . . . . 25 ARG CD . 51547 1 205 . 1 . 1 25 25 ARG N N 15 126.601 0.3 . 1 . . . . . 25 ARG N . 51547 1 206 . 1 . 1 26 26 LYS H H 1 8.731 0.020 . 1 . . . . . 26 LYS H . 51547 1 207 . 1 . 1 26 26 LYS HA H 1 4.21 0.020 . 1 . . . . . 26 LYS HA . 51547 1 208 . 1 . 1 26 26 LYS HB2 H 1 1.761 0.020 . 2 . . . . . 26 LYS HB2 . 51547 1 209 . 1 . 1 26 26 LYS HB3 H 1 1.596 0.020 . 2 . . . . . 26 LYS HB3 . 51547 1 210 . 1 . 1 26 26 LYS HG2 H 1 1.294 0.020 . 1 . . . . . 26 LYS HG2 . 51547 1 211 . 1 . 1 26 26 LYS HG3 H 1 1.294 0.020 . 1 . . . . . 26 LYS HG3 . 51547 1 212 . 1 . 1 26 26 LYS HD2 H 1 1.547 0.020 . 1 . . . . . 26 LYS HD2 . 51547 1 213 . 1 . 1 26 26 LYS HD3 H 1 1.547 0.020 . 1 . . . . . 26 LYS HD3 . 51547 1 214 . 1 . 1 26 26 LYS HE2 H 1 2.853 0.020 . 1 . . . . . 26 LYS HE2 . 51547 1 215 . 1 . 1 26 26 LYS HE3 H 1 2.853 0.020 . 1 . . . . . 26 LYS HE3 . 51547 1 216 . 1 . 1 26 26 LYS CA C 13 56.757 0.3 . 1 . . . . . 26 LYS CA . 51547 1 217 . 1 . 1 26 26 LYS CB C 13 33.607 0.3 . 1 . . . . . 26 LYS CB . 51547 1 218 . 1 . 1 26 26 LYS CG C 13 22.335 0.3 . 1 . . . . . 26 LYS CG . 51547 1 219 . 1 . 1 26 26 LYS CD C 13 26.493 0.3 . 1 . . . . . 26 LYS CD . 51547 1 220 . 1 . 1 26 26 LYS CE C 13 39.626 0.3 . 1 . . . . . 26 LYS CE . 51547 1 221 . 1 . 1 26 26 LYS N N 15 123.854 0.3 . 1 . . . . . 26 LYS N . 51547 1 222 . 1 . 1 27 27 SER H H 1 7.767 0.020 . 1 . . . . . 27 SER H . 51547 1 223 . 1 . 1 27 27 SER HA H 1 4.445 0.020 . 1 . . . . . 27 SER HA . 51547 1 224 . 1 . 1 27 27 SER HB2 H 1 3.72 0.020 . 2 . . . . . 27 SER HB2 . 51547 1 225 . 1 . 1 27 27 SER HB3 H 1 3.669 0.020 . 2 . . . . . 27 SER HB3 . 51547 1 226 . 1 . 1 27 27 SER CA C 13 57.454 0.3 . 1 . . . . . 27 SER CA . 51547 1 227 . 1 . 1 27 27 SER CB C 13 65.041 0.3 . 1 . . . . . 27 SER CB . 51547 1 228 . 1 . 1 27 27 SER N N 15 113.565 0.3 . 1 . . . . . 27 SER N . 51547 1 229 . 1 . 1 28 28 GLY H H 1 8.487 0.020 . 1 . . . . . 28 GLY H . 51547 1 230 . 1 . 1 28 28 GLY HA2 H 1 4.036 0.020 . 2 . . . . . 28 GLY HA2 . 51547 1 231 . 1 . 1 28 28 GLY HA3 H 1 3.777 0.020 . 2 . . . . . 28 GLY HA3 . 51547 1 232 . 1 . 1 28 28 GLY CA C 13 45.236 0.3 . 1 . . . . . 28 GLY CA . 51547 1 233 . 1 . 1 28 28 GLY N N 15 109.447 0.3 . 1 . . . . . 28 GLY N . 51547 1 234 . 1 . 1 29 29 ARG H H 1 8.658 0.020 . 1 . . . . . 29 ARG H . 51547 1 235 . 1 . 1 29 29 ARG HA H 1 4.067 0.020 . 1 . . . . . 29 ARG HA . 51547 1 236 . 1 . 1 29 29 ARG HB2 H 1 1.784 0.020 . 2 . . . . . 29 ARG HB2 . 51547 1 237 . 1 . 1 29 29 ARG HB3 H 1 1.736 0.020 . 2 . . . . . 29 ARG HB3 . 51547 1 238 . 1 . 1 29 29 ARG HG2 H 1 1.51 0.020 . 1 . . . . . 29 ARG HG2 . 51547 1 239 . 1 . 1 29 29 ARG HG3 H 1 1.51 0.020 . 1 . . . . . 29 ARG HG3 . 51547 1 240 . 1 . 1 29 29 ARG HD2 H 1 3.076 0.020 . 1 . . . . . 29 ARG HD2 . 51547 1 241 . 1 . 1 29 29 ARG HD3 H 1 3.076 0.020 . 1 . . . . . 29 ARG HD3 . 51547 1 242 . 1 . 1 29 29 ARG CA C 13 57.884 0.3 . 1 . . . . . 29 ARG CA . 51547 1 243 . 1 . 1 29 29 ARG CB C 13 30.056 0.3 . 1 . . . . . 29 ARG CB . 51547 1 244 . 1 . 1 29 29 ARG CG C 13 24.572 0.3 . 1 . . . . . 29 ARG CG . 51547 1 245 . 1 . 1 29 29 ARG CD C 13 40.561 0.3 . 1 . . . . . 29 ARG CD . 51547 1 246 . 1 . 1 29 29 ARG N N 15 120.888 0.3 . 1 . . . . . 29 ARG N . 51547 1 247 . 1 . 1 30 30 SER H H 1 8.322 0.020 . 1 . . . . . 30 SER H . 51547 1 248 . 1 . 1 30 30 SER HA H 1 4.356 0.020 . 1 . . . . . 30 SER HA . 51547 1 249 . 1 . 1 30 30 SER HB2 H 1 3.755 0.020 . 1 . . . . . 30 SER HB2 . 51547 1 250 . 1 . 1 30 30 SER HB3 H 1 3.755 0.020 . 1 . . . . . 30 SER HB3 . 51547 1 251 . 1 . 1 30 30 SER CA C 13 57.708 0.3 . 1 . . . . . 30 SER CA . 51547 1 252 . 1 . 1 30 30 SER CB C 13 63.24 0.3 . 1 . . . . . 30 SER CB . 51547 1 253 . 1 . 1 30 30 SER N N 15 114.552 0.3 . 1 . . . . . 30 SER N . 51547 1 254 . 1 . 1 31 31 ALA H H 1 7.45 0.020 . 1 . . . . . 31 ALA H . 51547 1 255 . 1 . 1 31 31 ALA HA H 1 3.611 0.020 . 1 . . . . . 31 ALA HA . 51547 1 256 . 1 . 1 31 31 ALA HB1 H 1 1.061 0.020 . 1 . . . . . 31 ALA HB . 51547 1 257 . 1 . 1 31 31 ALA HB2 H 1 1.061 0.020 . 1 . . . . . 31 ALA HB . 51547 1 258 . 1 . 1 31 31 ALA HB3 H 1 1.061 0.020 . 1 . . . . . 31 ALA HB . 51547 1 259 . 1 . 1 31 31 ALA CA C 13 53.584 0.3 . 1 . . . . . 31 ALA CA . 51547 1 260 . 1 . 1 31 31 ALA CB C 13 18.383 0.3 . 1 . . . . . 31 ALA CB . 51547 1 261 . 1 . 1 31 31 ALA N N 15 123.183 0.3 . 1 . . . . . 31 ALA N . 51547 1 262 . 1 . 1 32 32 GLY H H 1 8.414 0.020 . 1 . . . . . 32 GLY H . 51547 1 263 . 1 . 1 32 32 GLY HA2 H 1 4.033 0.020 . 2 . . . . . 32 GLY HA2 . 51547 1 264 . 1 . 1 32 32 GLY HA3 H 1 3.463 0.020 . 2 . . . . . 32 GLY HA3 . 51547 1 265 . 1 . 1 32 32 GLY CA C 13 45.033 0.3 . 1 . . . . . 32 GLY CA . 51547 1 266 . 1 . 1 32 32 GLY N N 15 109.891 0.3 . 1 . . . . . 32 GLY N . 51547 1 267 . 1 . 1 33 33 LYS H H 1 7.848 0.020 . 1 . . . . . 33 LYS H . 51547 1 268 . 1 . 1 33 33 LYS HA H 1 4.251 0.020 . 1 . . . . . 33 LYS HA . 51547 1 269 . 1 . 1 33 33 LYS HB2 H 1 1.662 0.020 . 1 . . . . . 33 LYS HB2 . 51547 1 270 . 1 . 1 33 33 LYS HB3 H 1 1.662 0.020 . 1 . . . . . 33 LYS HB3 . 51547 1 271 . 1 . 1 33 33 LYS HG2 H 1 1.217 0.020 . 1 . . . . . 33 LYS HG2 . 51547 1 272 . 1 . 1 33 33 LYS HG3 H 1 1.217 0.020 . 1 . . . . . 33 LYS HG3 . 51547 1 273 . 1 . 1 33 33 LYS HD2 H 1 1.53 0.020 . 1 . . . . . 33 LYS HD2 . 51547 1 274 . 1 . 1 33 33 LYS HD3 H 1 1.53 0.020 . 1 . . . . . 33 LYS HD3 . 51547 1 275 . 1 . 1 33 33 LYS HE2 H 1 2.857 0.020 . 1 . . . . . 33 LYS HE2 . 51547 1 276 . 1 . 1 33 33 LYS HE3 H 1 2.857 0.020 . 1 . . . . . 33 LYS HE3 . 51547 1 277 . 1 . 1 33 33 LYS CA C 13 56.083 0.3 . 1 . . . . . 33 LYS CA . 51547 1 278 . 1 . 1 33 33 LYS CB C 13 33.898 0.3 . 1 . . . . . 33 LYS CB . 51547 1 279 . 1 . 1 33 33 LYS CG C 13 22.674 0.3 . 1 . . . . . 33 LYS CG . 51547 1 280 . 1 . 1 33 33 LYS CD C 13 26.938 0.3 . 1 . . . . . 33 LYS CD . 51547 1 281 . 1 . 1 33 33 LYS CE C 13 39.833 0.3 . 1 . . . . . 33 LYS CE . 51547 1 282 . 1 . 1 33 33 LYS N N 15 120.898 0.3 . 1 . . . . . 33 LYS N . 51547 1 283 . 1 . 1 34 34 TYR H H 1 8.461 0.020 . 1 . . . . . 34 TYR H . 51547 1 284 . 1 . 1 34 34 TYR HA H 1 4.924 0.020 . 1 . . . . . 34 TYR HA . 51547 1 285 . 1 . 1 34 34 TYR HB2 H 1 2.617 0.020 . 2 . . . . . 34 TYR HB2 . 51547 1 286 . 1 . 1 34 34 TYR HB3 H 1 2.496 0.020 . 2 . . . . . 34 TYR HB3 . 51547 1 287 . 1 . 1 34 34 TYR HD1 H 1 6.796 0.020 . 1 . . . . . 34 TYR HD1 . 51547 1 288 . 1 . 1 34 34 TYR HD2 H 1 6.796 0.020 . 1 . . . . . 34 TYR HD2 . 51547 1 289 . 1 . 1 34 34 TYR HE1 H 1 6.665 0.020 . 1 . . . . . 34 TYR HE1 . 51547 1 290 . 1 . 1 34 34 TYR HE2 H 1 6.665 0.020 . 1 . . . . . 34 TYR HE2 . 51547 1 291 . 1 . 1 34 34 TYR CA C 13 58.102 0.3 . 1 . . . . . 34 TYR CA . 51547 1 292 . 1 . 1 34 34 TYR CB C 13 41.559 0.3 . 1 . . . . . 34 TYR CB . 51547 1 293 . 1 . 1 34 34 TYR CD1 C 13 130.474 0.3 . 1 . . . . . 34 TYR CD1 . 51547 1 294 . 1 . 1 34 34 TYR CE1 C 13 115.313 0.3 . 1 . . . . . 34 TYR CE1 . 51547 1 295 . 1 . 1 34 34 TYR N N 15 119.27 0.3 . 1 . . . . . 34 TYR N . 51547 1 296 . 1 . 1 35 35 ASP H H 1 8.83 0.020 . 1 . . . . . 35 ASP H . 51547 1 297 . 1 . 1 35 35 ASP HA H 1 4.793 0.020 . 1 . . . . . 35 ASP HA . 51547 1 298 . 1 . 1 35 35 ASP HB2 H 1 2.491 0.020 . 2 . . . . . 35 ASP HB2 . 51547 1 299 . 1 . 1 35 35 ASP HB3 H 1 2.355 0.020 . 2 . . . . . 35 ASP HB3 . 51547 1 300 . 1 . 1 35 35 ASP CA C 13 53.921 0.3 . 1 . . . . . 35 ASP CA . 51547 1 301 . 1 . 1 35 35 ASP CB C 13 43.868 0.3 . 1 . . . . . 35 ASP CB . 51547 1 302 . 1 . 1 35 35 ASP N N 15 120.481 0.3 . 1 . . . . . 35 ASP N . 51547 1 303 . 1 . 1 36 36 VAL H H 1 8.104 0.020 . 1 . . . . . 36 VAL H . 51547 1 304 . 1 . 1 36 36 VAL HA H 1 4.225 0.020 . 1 . . . . . 36 VAL HA . 51547 1 305 . 1 . 1 36 36 VAL HB H 1 1.946 0.020 . 1 . . . . . 36 VAL HB . 51547 1 306 . 1 . 1 36 36 VAL HG11 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG1 . 51547 1 307 . 1 . 1 36 36 VAL HG12 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG1 . 51547 1 308 . 1 . 1 36 36 VAL HG13 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG1 . 51547 1 309 . 1 . 1 36 36 VAL HG21 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG2 . 51547 1 310 . 1 . 1 36 36 VAL HG22 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG2 . 51547 1 311 . 1 . 1 36 36 VAL HG23 H 1 0.546 0.020 . 1 . . . . . 36 VAL HG2 . 51547 1 312 . 1 . 1 36 36 VAL CA C 13 62.056 0.3 . 1 . . . . . 36 VAL CA . 51547 1 313 . 1 . 1 36 36 VAL CB C 13 33.604 0.3 . 1 . . . . . 36 VAL CB . 51547 1 314 . 1 . 1 36 36 VAL CG1 C 13 19.013 0.3 . 1 . . . . . 36 VAL CG1 . 51547 1 315 . 1 . 1 36 36 VAL CG2 C 13 19.013 0.3 . 1 . . . . . 36 VAL CG2 . 51547 1 316 . 1 . 1 36 36 VAL N N 15 121.269 0.3 . 1 . . . . . 36 VAL N . 51547 1 317 . 1 . 1 37 37 TYR H H 1 8.831 0.020 . 1 . . . . . 37 TYR H . 51547 1 318 . 1 . 1 37 37 TYR HA H 1 5.179 0.020 . 1 . . . . . 37 TYR HA . 51547 1 319 . 1 . 1 37 37 TYR HB2 H 1 2.908 0.020 . 2 . . . . . 37 TYR HB2 . 51547 1 320 . 1 . 1 37 37 TYR HB3 H 1 2.466 0.020 . 2 . . . . . 37 TYR HB3 . 51547 1 321 . 1 . 1 37 37 TYR HD1 H 1 6.846 0.020 . 1 . . . . . 37 TYR HD1 . 51547 1 322 . 1 . 1 37 37 TYR HD2 H 1 6.846 0.020 . 1 . . . . . 37 TYR HD2 . 51547 1 323 . 1 . 1 37 37 TYR HE1 H 1 6.606 0.020 . 1 . . . . . 37 TYR HE1 . 51547 1 324 . 1 . 1 37 37 TYR HE2 H 1 6.606 0.020 . 1 . . . . . 37 TYR HE2 . 51547 1 325 . 1 . 1 37 37 TYR CA C 13 55.876 0.3 . 1 . . . . . 37 TYR CA . 51547 1 326 . 1 . 1 37 37 TYR CB C 13 40.732 0.3 . 1 . . . . . 37 TYR CB . 51547 1 327 . 1 . 1 37 37 TYR CD1 C 13 130.146 0.3 . 1 . . . . . 37 TYR CD1 . 51547 1 328 . 1 . 1 37 37 TYR CE1 C 13 115.337 0.3 . 1 . . . . . 37 TYR CE1 . 51547 1 329 . 1 . 1 37 37 TYR N N 15 123.321 0.3 . 1 . . . . . 37 TYR N . 51547 1 330 . 1 . 1 38 38 LEU H H 1 8.918 0.020 . 1 . . . . . 38 LEU H . 51547 1 331 . 1 . 1 38 38 LEU HA H 1 5.283 0.020 . 1 . . . . . 38 LEU HA . 51547 1 332 . 1 . 1 38 38 LEU HB2 H 1 1.773 0.020 . 2 . . . . . 38 LEU HB2 . 51547 1 333 . 1 . 1 38 38 LEU HB3 H 1 1.44 0.020 . 2 . . . . . 38 LEU HB3 . 51547 1 334 . 1 . 1 38 38 LEU HG H 1 1.239 0.020 . 1 . . . . . 38 LEU HG . 51547 1 335 . 1 . 1 38 38 LEU CA C 13 53.593 0.3 . 1 . . . . . 38 LEU CA . 51547 1 336 . 1 . 1 38 38 LEU CB C 13 43.29 0.3 . 1 . . . . . 38 LEU CB . 51547 1 337 . 1 . 1 38 38 LEU CG C 13 25.652 0.3 . 1 . . . . . 38 LEU CG . 51547 1 338 . 1 . 1 38 38 LEU CD1 C 13 21.025 0.3 . 1 . . . . . 38 LEU CD1 . 51547 1 339 . 1 . 1 38 38 LEU CD2 C 13 23.434 0.3 . 1 . . . . . 38 LEU CD2 . 51547 1 340 . 1 . 1 38 38 LEU N N 15 121.413 0.3 . 1 . . . . . 38 LEU N . 51547 1 341 . 1 . 1 39 39 ILE H H 1 9.416 0.020 . 1 . . . . . 39 ILE H . 51547 1 342 . 1 . 1 39 39 ILE HA H 1 4.848 0.020 . 1 . . . . . 39 ILE HA . 51547 1 343 . 1 . 1 39 39 ILE HB H 1 1.715 0.020 . 1 . . . . . 39 ILE HB . 51547 1 344 . 1 . 1 39 39 ILE HD11 H 1 0.583 0.020 . 1 . . . . . 39 ILE HD1 . 51547 1 345 . 1 . 1 39 39 ILE HD12 H 1 0.583 0.020 . 1 . . . . . 39 ILE HD1 . 51547 1 346 . 1 . 1 39 39 ILE HD13 H 1 0.583 0.020 . 1 . . . . . 39 ILE HD1 . 51547 1 347 . 1 . 1 39 39 ILE CA C 13 59.389 0.3 . 1 . . . . . 39 ILE CA . 51547 1 348 . 1 . 1 39 39 ILE CB C 13 38.673 0.3 . 1 . . . . . 39 ILE CB . 51547 1 349 . 1 . 1 39 39 ILE CG1 C 13 23.961 0.3 . 1 . . . . . 39 ILE CG1 . 51547 1 350 . 1 . 1 39 39 ILE CG2 C 13 15.05 0.3 . 1 . . . . . 39 ILE CG2 . 51547 1 351 . 1 . 1 39 39 ILE CD1 C 13 10.7 0.3 . 1 . . . . . 39 ILE CD1 . 51547 1 352 . 1 . 1 39 39 ILE N N 15 123.68 0.3 . 1 . . . . . 39 ILE N . 51547 1 353 . 1 . 1 40 40 ASN H H 1 8.277 0.020 . 1 . . . . . 40 ASN H . 51547 1 354 . 1 . 1 40 40 ASN HA H 1 3.025 0.020 . 1 . . . . . 40 ASN HA . 51547 1 355 . 1 . 1 40 40 ASN HB2 H 1 2.031 0.020 . 2 . . . . . 40 ASN HB2 . 51547 1 356 . 1 . 1 40 40 ASN HB3 H 1 1.458 0.020 . 2 . . . . . 40 ASN HB3 . 51547 1 357 . 1 . 1 40 40 ASN HD21 H 1 6.692 0.020 . 1 . . . . . 40 ASN HD21 . 51547 1 358 . 1 . 1 40 40 ASN HD22 H 1 6.39 0.020 . 1 . . . . . 40 ASN HD22 . 51547 1 359 . 1 . 1 40 40 ASN CA C 13 51.239 0.3 . 1 . . . . . 40 ASN CA . 51547 1 360 . 1 . 1 40 40 ASN CB C 13 36.638 0.3 . 1 . . . . . 40 ASN CB . 51547 1 361 . 1 . 1 40 40 ASN N N 15 126.476 0.3 . 1 . . . . . 40 ASN N . 51547 1 362 . 1 . 1 40 40 ASN ND2 N 15 108.744 0.3 . 1 . . . . . 40 ASN ND2 . 51547 1 363 . 1 . 1 41 41 PRO HA H 1 4.029 0.020 . 1 . . . . . 41 PRO HA . 51547 1 364 . 1 . 1 41 41 PRO HB2 H 1 1.587 0.020 . 1 . . . . . 41 PRO HB2 . 51547 1 365 . 1 . 1 41 41 PRO HB3 H 1 1.587 0.020 . 1 . . . . . 41 PRO HB3 . 51547 1 366 . 1 . 1 41 41 PRO HG2 H 1 2.158 0.020 . 1 . . . . . 41 PRO HG2 . 51547 1 367 . 1 . 1 41 41 PRO HG3 H 1 2.158 0.020 . 1 . . . . . 41 PRO HG3 . 51547 1 368 . 1 . 1 41 41 PRO HD2 H 1 3.02 0.020 . 1 . . . . . 41 PRO HD2 . 51547 1 369 . 1 . 1 41 41 PRO HD3 H 1 3.02 0.020 . 1 . . . . . 41 PRO HD3 . 51547 1 370 . 1 . 1 41 41 PRO CA C 13 65.308 0.3 . 1 . . . . . 41 PRO CA . 51547 1 371 . 1 . 1 41 41 PRO CB C 13 31.443 0.3 . 1 . . . . . 41 PRO CB . 51547 1 372 . 1 . 1 41 41 PRO CG C 13 25.349 0.3 . 1 . . . . . 41 PRO CG . 51547 1 373 . 1 . 1 41 41 PRO CD C 13 47.693 0.3 . 1 . . . . . 41 PRO CD . 51547 1 374 . 1 . 1 42 42 GLN H H 1 6.753 0.020 . 1 . . . . . 42 GLN H . 51547 1 375 . 1 . 1 42 42 GLN HA H 1 4.122 0.020 . 1 . . . . . 42 GLN HA . 51547 1 376 . 1 . 1 42 42 GLN HB2 H 1 2.089 0.020 . 2 . . . . . 42 GLN HB2 . 51547 1 377 . 1 . 1 42 42 GLN HB3 H 1 1.85 0.020 . 2 . . . . . 42 GLN HB3 . 51547 1 378 . 1 . 1 42 42 GLN HG2 H 1 2.315 0.020 . 2 . . . . . 42 GLN HG2 . 51547 1 379 . 1 . 1 42 42 GLN HG3 H 1 2.147 0.020 . 2 . . . . . 42 GLN HG3 . 51547 1 380 . 1 . 1 42 42 GLN HE21 H 1 7.455 0.020 . 1 . . . . . 42 GLN HE21 . 51547 1 381 . 1 . 1 42 42 GLN HE22 H 1 6.784 0.020 . 1 . . . . . 42 GLN HE22 . 51547 1 382 . 1 . 1 42 42 GLN CA C 13 56.254 0.3 . 1 . . . . . 42 GLN CA . 51547 1 383 . 1 . 1 42 42 GLN CB C 13 28.709 0.3 . 1 . . . . . 42 GLN CB . 51547 1 384 . 1 . 1 42 42 GLN CG C 13 32.468 0.3 . 1 . . . . . 42 GLN CG . 51547 1 385 . 1 . 1 42 42 GLN N N 15 112.589 0.3 . 1 . . . . . 42 GLN N . 51547 1 386 . 1 . 1 42 42 GLN NE2 N 15 112.351 0.3 . 1 . . . . . 42 GLN NE2 . 51547 1 387 . 1 . 1 43 43 GLY H H 1 7.974 0.020 . 1 . . . . . 43 GLY H . 51547 1 388 . 1 . 1 43 43 GLY HA2 H 1 3.933 0.020 . 2 . . . . . 43 GLY HA2 . 51547 1 389 . 1 . 1 43 43 GLY HA3 H 1 3.188 0.020 . 2 . . . . . 43 GLY HA3 . 51547 1 390 . 1 . 1 43 43 GLY CA C 13 45.439 0.3 . 1 . . . . . 43 GLY CA . 51547 1 391 . 1 . 1 43 43 GLY N N 15 108.32 0.3 . 1 . . . . . 43 GLY N . 51547 1 392 . 1 . 1 44 44 LYS H H 1 7.566 0.020 . 1 . . . . . 44 LYS H . 51547 1 393 . 1 . 1 44 44 LYS HA H 1 3.737 0.020 . 1 . . . . . 44 LYS HA . 51547 1 394 . 1 . 1 44 44 LYS HB2 H 1 1.029 0.020 . 1 . . . . . 44 LYS HB2 . 51547 1 395 . 1 . 1 44 44 LYS HB3 H 1 1.029 0.020 . 1 . . . . . 44 LYS HB3 . 51547 1 396 . 1 . 1 44 44 LYS HG2 H 1 0.875 0.020 . 2 . . . . . 44 LYS HG2 . 51547 1 397 . 1 . 1 44 44 LYS HG3 H 1 0.472 0.020 . 2 . . . . . 44 LYS HG3 . 51547 1 398 . 1 . 1 44 44 LYS HD2 H 1 1.273 0.020 . 2 . . . . . 44 LYS HD2 . 51547 1 399 . 1 . 1 44 44 LYS HD3 H 1 1.105 0.020 . 2 . . . . . 44 LYS HD3 . 51547 1 400 . 1 . 1 44 44 LYS CA C 13 55.556 0.3 . 1 . . . . . 44 LYS CA . 51547 1 401 . 1 . 1 44 44 LYS CB C 13 32.332 0.3 . 1 . . . . . 44 LYS CB . 51547 1 402 . 1 . 1 44 44 LYS CG C 13 22.262 0.3 . 1 . . . . . 44 LYS CG . 51547 1 403 . 1 . 1 44 44 LYS CD C 13 26.114 0.3 . 1 . . . . . 44 LYS CD . 51547 1 404 . 1 . 1 44 44 LYS CE C 13 39.694 0.3 . 1 . . . . . 44 LYS CE . 51547 1 405 . 1 . 1 44 44 LYS N N 15 123.29 0.3 . 1 . . . . . 44 LYS N . 51547 1 406 . 1 . 1 45 45 ALA H H 1 7.733 0.020 . 1 . . . . . 45 ALA H . 51547 1 407 . 1 . 1 45 45 ALA HA H 1 4.904 0.020 . 1 . . . . . 45 ALA HA . 51547 1 408 . 1 . 1 45 45 ALA HB1 H 1 0.902 0.020 . 1 . . . . . 45 ALA HB . 51547 1 409 . 1 . 1 45 45 ALA HB2 H 1 0.902 0.020 . 1 . . . . . 45 ALA HB . 51547 1 410 . 1 . 1 45 45 ALA HB3 H 1 0.902 0.020 . 1 . . . . . 45 ALA HB . 51547 1 411 . 1 . 1 45 45 ALA CA C 13 50.402 0.3 . 1 . . . . . 45 ALA CA . 51547 1 412 . 1 . 1 45 45 ALA CB C 13 21.891 0.3 . 1 . . . . . 45 ALA CB . 51547 1 413 . 1 . 1 45 45 ALA N N 15 125.141 0.3 . 1 . . . . . 45 ALA N . 51547 1 414 . 1 . 1 46 46 PHE H H 1 9.444 0.020 . 1 . . . . . 46 PHE H . 51547 1 415 . 1 . 1 46 46 PHE HA H 1 4.722 0.020 . 1 . . . . . 46 PHE HA . 51547 1 416 . 1 . 1 46 46 PHE HB2 H 1 2.982 0.020 . 1 . . . . . 46 PHE HB2 . 51547 1 417 . 1 . 1 46 46 PHE HB3 H 1 2.982 0.020 . 1 . . . . . 46 PHE HB3 . 51547 1 418 . 1 . 1 46 46 PHE HD1 H 1 7.056 0.020 . 1 . . . . . 46 PHE HD1 . 51547 1 419 . 1 . 1 46 46 PHE HD2 H 1 7.056 0.020 . 1 . . . . . 46 PHE HD2 . 51547 1 420 . 1 . 1 46 46 PHE HE1 H 1 6.625 0.020 . 1 . . . . . 46 PHE HE1 . 51547 1 421 . 1 . 1 46 46 PHE HE2 H 1 6.625 0.020 . 1 . . . . . 46 PHE HE2 . 51547 1 422 . 1 . 1 46 46 PHE HZ H 1 5.668 0.020 . 1 . . . . . 46 PHE HZ . 51547 1 423 . 1 . 1 46 46 PHE CA C 13 57.442 0.3 . 1 . . . . . 46 PHE CA . 51547 1 424 . 1 . 1 46 46 PHE CB C 13 42.951 0.3 . 1 . . . . . 46 PHE CB . 51547 1 425 . 1 . 1 46 46 PHE CD1 C 13 129.357 0.3 . 1 . . . . . 46 PHE CD1 . 51547 1 426 . 1 . 1 46 46 PHE CE1 C 13 127.75 0.3 . 1 . . . . . 46 PHE CE1 . 51547 1 427 . 1 . 1 46 46 PHE CZ C 13 126.139 0.3 . 1 . . . . . 46 PHE CZ . 51547 1 428 . 1 . 1 46 46 PHE N N 15 119.823 0.3 . 1 . . . . . 46 PHE N . 51547 1 429 . 1 . 1 47 47 ARG H H 1 9.345 0.020 . 1 . . . . . 47 ARG H . 51547 1 430 . 1 . 1 47 47 ARG HA H 1 4.648 0.020 . 1 . . . . . 47 ARG HA . 51547 1 431 . 1 . 1 47 47 ARG HB2 H 1 1.62 0.020 . 1 . . . . . 47 ARG HB2 . 51547 1 432 . 1 . 1 47 47 ARG HB3 H 1 1.62 0.020 . 1 . . . . . 47 ARG HB3 . 51547 1 433 . 1 . 1 47 47 ARG HG2 H 1 1.306 0.020 . 1 . . . . . 47 ARG HG2 . 51547 1 434 . 1 . 1 47 47 ARG HG3 H 1 1.306 0.020 . 1 . . . . . 47 ARG HG3 . 51547 1 435 . 1 . 1 47 47 ARG HD2 H 1 2.926 0.020 . 2 . . . . . 47 ARG HD2 . 51547 1 436 . 1 . 1 47 47 ARG HD3 H 1 2.888 0.020 . 2 . . . . . 47 ARG HD3 . 51547 1 437 . 1 . 1 47 47 ARG CA C 13 55.999 0.3 . 1 . . . . . 47 ARG CA . 51547 1 438 . 1 . 1 47 47 ARG CB C 13 32.286 0.3 . 1 . . . . . 47 ARG CB . 51547 1 439 . 1 . 1 47 47 ARG CG C 13 24.443 0.3 . 1 . . . . . 47 ARG CG . 51547 1 440 . 1 . 1 47 47 ARG CD C 13 40.68 0.3 . 1 . . . . . 47 ARG CD . 51547 1 441 . 1 . 1 47 47 ARG N N 15 120.247 0.3 . 1 . . . . . 47 ARG N . 51547 1 442 . 1 . 1 48 48 ASN H H 1 7.07 0.020 . 1 . . . . . 48 ASN H . 51547 1 443 . 1 . 1 48 48 ASN HA H 1 2.829 0.020 . 1 . . . . . 48 ASN HA . 51547 1 444 . 1 . 1 48 48 ASN HB2 H 1 1.575 0.020 . 1 . . . . . 48 ASN HB2 . 51547 1 445 . 1 . 1 48 48 ASN HB3 H 1 1.575 0.020 . 1 . . . . . 48 ASN HB3 . 51547 1 446 . 1 . 1 48 48 ASN HD21 H 1 7.284 0.020 . 1 . . . . . 48 ASN HD21 . 51547 1 447 . 1 . 1 48 48 ASN HD22 H 1 6.633 0.020 . 1 . . . . . 48 ASN HD22 . 51547 1 448 . 1 . 1 48 48 ASN CA C 13 51.715 0.3 . 1 . . . . . 48 ASN CA . 51547 1 449 . 1 . 1 48 48 ASN CB C 13 39.501 0.3 . 1 . . . . . 48 ASN CB . 51547 1 450 . 1 . 1 48 48 ASN N N 15 110.333 0.3 . 1 . . . . . 48 ASN N . 51547 1 451 . 1 . 1 48 48 ASN ND2 N 15 114.001 0.3 . 1 . . . . . 48 ASN ND2 . 51547 1 452 . 1 . 1 49 49 LYS H H 1 8.092 0.020 . 1 . . . . . 49 LYS H . 51547 1 453 . 1 . 1 49 49 LYS HA H 1 3.57 0.020 . 1 . . . . . 49 LYS HA . 51547 1 454 . 1 . 1 49 49 LYS HB2 H 1 1.615 0.020 . 1 . . . . . 49 LYS HB2 . 51547 1 455 . 1 . 1 49 49 LYS HB3 H 1 1.615 0.020 . 1 . . . . . 49 LYS HB3 . 51547 1 456 . 1 . 1 49 49 LYS HG2 H 1 1.306 0.020 . 1 . . . . . 49 LYS HG2 . 51547 1 457 . 1 . 1 49 49 LYS HG3 H 1 1.306 0.020 . 1 . . . . . 49 LYS HG3 . 51547 1 458 . 1 . 1 49 49 LYS HD2 H 1 1.625 0.020 . 1 . . . . . 49 LYS HD2 . 51547 1 459 . 1 . 1 49 49 LYS HD3 H 1 1.625 0.020 . 1 . . . . . 49 LYS HD3 . 51547 1 460 . 1 . 1 49 49 LYS HE2 H 1 2.947 0.020 . 2 . . . . . 49 LYS HE2 . 51547 1 461 . 1 . 1 49 49 LYS HE3 H 1 2.8 0.020 . 2 . . . . . 49 LYS HE3 . 51547 1 462 . 1 . 1 49 49 LYS CA C 13 59.309 0.3 . 1 . . . . . 49 LYS CA . 51547 1 463 . 1 . 1 49 49 LYS CB C 13 32.249 0.3 . 1 . . . . . 49 LYS CB . 51547 1 464 . 1 . 1 49 49 LYS CG C 13 22.842 0.3 . 1 . . . . . 49 LYS CG . 51547 1 465 . 1 . 1 49 49 LYS CD C 13 27.103 0.3 . 1 . . . . . 49 LYS CD . 51547 1 466 . 1 . 1 49 49 LYS CE C 13 39.543 0.3 . 1 . . . . . 49 LYS CE . 51547 1 467 . 1 . 1 49 49 LYS N N 15 117.825 0.3 . 1 . . . . . 49 LYS N . 51547 1 468 . 1 . 1 50 50 VAL H H 1 7.448 0.020 . 1 . . . . . 50 VAL H . 51547 1 469 . 1 . 1 50 50 VAL HA H 1 3.395 0.020 . 1 . . . . . 50 VAL HA . 51547 1 470 . 1 . 1 50 50 VAL HB H 1 1.818 0.020 . 1 . . . . . 50 VAL HB . 51547 1 471 . 1 . 1 50 50 VAL HG11 H 1 0.787 0.020 . 2 . . . . . 50 VAL HG1 . 51547 1 472 . 1 . 1 50 50 VAL HG12 H 1 0.787 0.020 . 2 . . . . . 50 VAL HG1 . 51547 1 473 . 1 . 1 50 50 VAL HG13 H 1 0.787 0.020 . 2 . . . . . 50 VAL HG1 . 51547 1 474 . 1 . 1 50 50 VAL HG21 H 1 0.754 0.020 . 2 . . . . . 50 VAL HG2 . 51547 1 475 . 1 . 1 50 50 VAL HG22 H 1 0.754 0.020 . 2 . . . . . 50 VAL HG2 . 51547 1 476 . 1 . 1 50 50 VAL HG23 H 1 0.754 0.020 . 2 . . . . . 50 VAL HG2 . 51547 1 477 . 1 . 1 50 50 VAL CA C 13 66.938 0.3 . 1 . . . . . 50 VAL CA . 51547 1 478 . 1 . 1 50 50 VAL CB C 13 31.191 0.3 . 1 . . . . . 50 VAL CB . 51547 1 479 . 1 . 1 50 50 VAL CG1 C 13 19.6 0.3 . 1 . . . . . 50 VAL CG1 . 51547 1 480 . 1 . 1 50 50 VAL CG2 C 13 18.521 0.3 . 1 . . . . . 50 VAL CG2 . 51547 1 481 . 1 . 1 50 50 VAL N N 15 120.248 0.3 . 1 . . . . . 50 VAL N . 51547 1 482 . 1 . 1 51 51 GLU H H 1 8.006 0.020 . 1 . . . . . 51 GLU H . 51547 1 483 . 1 . 1 51 51 GLU HA H 1 4.005 0.020 . 1 . . . . . 51 GLU HA . 51547 1 484 . 1 . 1 51 51 GLU HB2 H 1 2.26 0.020 . 1 . . . . . 51 GLU HB2 . 51547 1 485 . 1 . 1 51 51 GLU HB3 H 1 2.26 0.020 . 1 . . . . . 51 GLU HB3 . 51547 1 486 . 1 . 1 51 51 GLU HG2 H 1 2.24 0.020 . 1 . . . . . 51 GLU HG2 . 51547 1 487 . 1 . 1 51 51 GLU HG3 H 1 2.24 0.020 . 1 . . . . . 51 GLU HG3 . 51547 1 488 . 1 . 1 51 51 GLU CA C 13 59.217 0.3 . 1 . . . . . 51 GLU CA . 51547 1 489 . 1 . 1 51 51 GLU CB C 13 30.98 0.3 . 1 . . . . . 51 GLU CB . 51547 1 490 . 1 . 1 51 51 GLU CG C 13 34.431 0.3 . 1 . . . . . 51 GLU CG . 51547 1 491 . 1 . 1 51 51 GLU N N 15 119.326 0.3 . 1 . . . . . 51 GLU N . 51547 1 492 . 1 . 1 52 52 LEU H H 1 7.188 0.020 . 1 . . . . . 52 LEU H . 51547 1 493 . 1 . 1 52 52 LEU HA H 1 3.23 0.020 . 1 . . . . . 52 LEU HA . 51547 1 494 . 1 . 1 52 52 LEU HB2 H 1 1.233 0.020 . 1 . . . . . 52 LEU HB2 . 51547 1 495 . 1 . 1 52 52 LEU HB3 H 1 1.233 0.020 . 1 . . . . . 52 LEU HB3 . 51547 1 496 . 1 . 1 52 52 LEU HG H 1 0.714 0.020 . 1 . . . . . 52 LEU HG . 51547 1 497 . 1 . 1 52 52 LEU CA C 13 57.876 0.3 . 1 . . . . . 52 LEU CA . 51547 1 498 . 1 . 1 52 52 LEU CB C 13 42.663 0.3 . 1 . . . . . 52 LEU CB . 51547 1 499 . 1 . 1 52 52 LEU CG C 13 23.033 0.3 . 1 . . . . . 52 LEU CG . 51547 1 500 . 1 . 1 52 52 LEU CD1 C 13 22.28 0.3 . 1 . . . . . 52 LEU CD1 . 51547 1 501 . 1 . 1 52 52 LEU N N 15 120.734 0.3 . 1 . . . . . 52 LEU N . 51547 1 502 . 1 . 1 53 53 ILE H H 1 8.267 0.020 . 1 . . . . . 53 ILE H . 51547 1 503 . 1 . 1 53 53 ILE HA H 1 3.326 0.020 . 1 . . . . . 53 ILE HA . 51547 1 504 . 1 . 1 53 53 ILE HB H 1 1.637 0.020 . 1 . . . . . 53 ILE HB . 51547 1 505 . 1 . 1 53 53 ILE HD11 H 1 0.717 0.020 . 1 . . . . . 53 ILE HD1 . 51547 1 506 . 1 . 1 53 53 ILE HD12 H 1 0.717 0.020 . 1 . . . . . 53 ILE HD1 . 51547 1 507 . 1 . 1 53 53 ILE HD13 H 1 0.717 0.020 . 1 . . . . . 53 ILE HD1 . 51547 1 508 . 1 . 1 53 53 ILE CA C 13 66.048 0.3 . 1 . . . . . 53 ILE CA . 51547 1 509 . 1 . 1 53 53 ILE CB C 13 38.499 0.3 . 1 . . . . . 53 ILE CB . 51547 1 510 . 1 . 1 53 53 ILE CG1 C 13 27.815 0.3 . 1 . . . . . 53 ILE CG1 . 51547 1 511 . 1 . 1 53 53 ILE CG2 C 13 14.617 0.3 . 1 . . . . . 53 ILE CG2 . 51547 1 512 . 1 . 1 53 53 ILE CD1 C 13 11.819 0.3 . 1 . . . . . 53 ILE CD1 . 51547 1 513 . 1 . 1 53 53 ILE N N 15 118.45 0.3 . 1 . . . . . 53 ILE N . 51547 1 514 . 1 . 1 54 54 ALA H H 1 7.579 0.020 . 1 . . . . . 54 ALA H . 51547 1 515 . 1 . 1 54 54 ALA HA H 1 4.033 0.020 . 1 . . . . . 54 ALA HA . 51547 1 516 . 1 . 1 54 54 ALA HB1 H 1 1.365 0.020 . 1 . . . . . 54 ALA HB . 51547 1 517 . 1 . 1 54 54 ALA HB2 H 1 1.365 0.020 . 1 . . . . . 54 ALA HB . 51547 1 518 . 1 . 1 54 54 ALA HB3 H 1 1.365 0.020 . 1 . . . . . 54 ALA HB . 51547 1 519 . 1 . 1 54 54 ALA CA C 13 54.963 0.3 . 1 . . . . . 54 ALA CA . 51547 1 520 . 1 . 1 54 54 ALA CB C 13 18.043 0.3 . 1 . . . . . 54 ALA CB . 51547 1 521 . 1 . 1 54 54 ALA N N 15 119.917 0.3 . 1 . . . . . 54 ALA N . 51547 1 522 . 1 . 1 55 55 TYR H H 1 7.581 0.020 . 1 . . . . . 55 TYR H . 51547 1 523 . 1 . 1 55 55 TYR HA H 1 4.117 0.020 . 1 . . . . . 55 TYR HA . 51547 1 524 . 1 . 1 55 55 TYR HB2 H 1 3.208 0.020 . 2 . . . . . 55 TYR HB2 . 51547 1 525 . 1 . 1 55 55 TYR HB3 H 1 2.786 0.020 . 2 . . . . . 55 TYR HB3 . 51547 1 526 . 1 . 1 55 55 TYR HD1 H 1 6.95 0.020 . 1 . . . . . 55 TYR HD1 . 51547 1 527 . 1 . 1 55 55 TYR HD2 H 1 6.95 0.020 . 1 . . . . . 55 TYR HD2 . 51547 1 528 . 1 . 1 55 55 TYR HE1 H 1 6.822 0.020 . 1 . . . . . 55 TYR HE1 . 51547 1 529 . 1 . 1 55 55 TYR HE2 H 1 6.822 0.020 . 1 . . . . . 55 TYR HE2 . 51547 1 530 . 1 . 1 55 55 TYR CA C 13 61.538 0.3 . 1 . . . . . 55 TYR CA . 51547 1 531 . 1 . 1 55 55 TYR CB C 13 39.387 0.3 . 1 . . . . . 55 TYR CB . 51547 1 532 . 1 . 1 55 55 TYR CD1 C 13 130.969 0.3 . 1 . . . . . 55 TYR CD1 . 51547 1 533 . 1 . 1 55 55 TYR CE1 C 13 115.401 0.3 . 1 . . . . . 55 TYR CE1 . 51547 1 534 . 1 . 1 55 55 TYR N N 15 120.348 0.3 . 1 . . . . . 55 TYR N . 51547 1 535 . 1 . 1 56 56 PHE H H 1 8.578 0.020 . 1 . . . . . 56 PHE H . 51547 1 536 . 1 . 1 56 56 PHE HA H 1 4.317 0.020 . 1 . . . . . 56 PHE HA . 51547 1 537 . 1 . 1 56 56 PHE HB2 H 1 3.46 0.020 . 2 . . . . . 56 PHE HB2 . 51547 1 538 . 1 . 1 56 56 PHE HB3 H 1 2.963 0.020 . 2 . . . . . 56 PHE HB3 . 51547 1 539 . 1 . 1 56 56 PHE HD1 H 1 7.084 0.020 . 1 . . . . . 56 PHE HD1 . 51547 1 540 . 1 . 1 56 56 PHE HD2 H 1 7.084 0.020 . 1 . . . . . 56 PHE HD2 . 51547 1 541 . 1 . 1 56 56 PHE HE1 H 1 6.928 0.020 . 1 . . . . . 56 PHE HE1 . 51547 1 542 . 1 . 1 56 56 PHE HE2 H 1 6.928 0.020 . 1 . . . . . 56 PHE HE2 . 51547 1 543 . 1 . 1 56 56 PHE HZ H 1 6.618 0.020 . 1 . . . . . 56 PHE HZ . 51547 1 544 . 1 . 1 56 56 PHE CA C 13 58.27 0.3 . 1 . . . . . 56 PHE CA . 51547 1 545 . 1 . 1 56 56 PHE CB C 13 44.748 0.3 . 1 . . . . . 56 PHE CB . 51547 1 546 . 1 . 1 56 56 PHE CD1 C 13 127.473 0.3 . 1 . . . . . 56 PHE CD1 . 51547 1 547 . 1 . 1 56 56 PHE CE1 C 13 127.584 0.3 . 1 . . . . . 56 PHE CE1 . 51547 1 548 . 1 . 1 56 56 PHE CZ C 13 126.699 0.3 . 1 . . . . . 56 PHE CZ . 51547 1 549 . 1 . 1 56 56 PHE N N 15 118.498 0.3 . 1 . . . . . 56 PHE N . 51547 1 550 . 1 . 1 57 57 GLU H H 1 8.228 0.020 . 1 . . . . . 57 GLU H . 51547 1 551 . 1 . 1 57 57 GLU HA H 1 3.966 0.020 . 1 . . . . . 57 GLU HA . 51547 1 552 . 1 . 1 57 57 GLU HB2 H 1 2.04 0.020 . 2 . . . . . 57 GLU HB2 . 51547 1 553 . 1 . 1 57 57 GLU HB3 H 1 1.934 0.020 . 2 . . . . . 57 GLU HB3 . 51547 1 554 . 1 . 1 57 57 GLU HG2 H 1 2.337 0.020 . 2 . . . . . 57 GLU HG2 . 51547 1 555 . 1 . 1 57 57 GLU HG3 H 1 2.098 0.020 . 2 . . . . . 57 GLU HG3 . 51547 1 556 . 1 . 1 57 57 GLU CA C 13 59.349 0.3 . 1 . . . . . 57 GLU CA . 51547 1 557 . 1 . 1 57 57 GLU CB C 13 29.479 0.3 . 1 . . . . . 57 GLU CB . 51547 1 558 . 1 . 1 57 57 GLU CG C 13 34.224 0.3 . 1 . . . . . 57 GLU CG . 51547 1 559 . 1 . 1 57 57 GLU N N 15 118.113 0.3 . 1 . . . . . 57 GLU N . 51547 1 560 . 1 . 1 58 58 LYS H H 1 7.683 0.020 . 1 . . . . . 58 LYS H . 51547 1 561 . 1 . 1 58 58 LYS HA H 1 3.923 0.020 . 1 . . . . . 58 LYS HA . 51547 1 562 . 1 . 1 58 58 LYS HB2 H 1 1.906 0.020 . 1 . . . . . 58 LYS HB2 . 51547 1 563 . 1 . 1 58 58 LYS HB3 H 1 1.906 0.020 . 1 . . . . . 58 LYS HB3 . 51547 1 564 . 1 . 1 58 58 LYS HG2 H 1 1.394 0.020 . 2 . . . . . 58 LYS HG2 . 51547 1 565 . 1 . 1 58 58 LYS HG3 H 1 1.298 0.020 . 2 . . . . . 58 LYS HG3 . 51547 1 566 . 1 . 1 58 58 LYS HD2 H 1 1.628 0.020 . 1 . . . . . 58 LYS HD2 . 51547 1 567 . 1 . 1 58 58 LYS HD3 H 1 1.628 0.020 . 1 . . . . . 58 LYS HD3 . 51547 1 568 . 1 . 1 58 58 LYS HE2 H 1 2.901 0.020 . 1 . . . . . 58 LYS HE2 . 51547 1 569 . 1 . 1 58 58 LYS HE3 H 1 2.901 0.020 . 1 . . . . . 58 LYS HE3 . 51547 1 570 . 1 . 1 58 58 LYS CA C 13 59.335 0.3 . 1 . . . . . 58 LYS CA . 51547 1 571 . 1 . 1 58 58 LYS CB C 13 32.603 0.3 . 1 . . . . . 58 LYS CB . 51547 1 572 . 1 . 1 58 58 LYS CG C 13 22.4 0.3 . 1 . . . . . 58 LYS CG . 51547 1 573 . 1 . 1 58 58 LYS CD C 13 26.694 0.3 . 1 . . . . . 58 LYS CD . 51547 1 574 . 1 . 1 58 58 LYS CE C 13 39.781 0.3 . 1 . . . . . 58 LYS CE . 51547 1 575 . 1 . 1 58 58 LYS N N 15 121.164 0.3 . 1 . . . . . 58 LYS N . 51547 1 576 . 1 . 1 59 59 VAL H H 1 7.847 0.020 . 1 . . . . . 59 VAL H . 51547 1 577 . 1 . 1 59 59 VAL HA H 1 4.132 0.020 . 1 . . . . . 59 VAL HA . 51547 1 578 . 1 . 1 59 59 VAL HB H 1 2.164 0.020 . 1 . . . . . 59 VAL HB . 51547 1 579 . 1 . 1 59 59 VAL HG21 H 1 0.62 0.020 . 1 . . . . . 59 VAL HG2 . 51547 1 580 . 1 . 1 59 59 VAL HG22 H 1 0.62 0.020 . 1 . . . . . 59 VAL HG2 . 51547 1 581 . 1 . 1 59 59 VAL HG23 H 1 0.62 0.020 . 1 . . . . . 59 VAL HG2 . 51547 1 582 . 1 . 1 59 59 VAL CA C 13 61.918 0.3 . 1 . . . . . 59 VAL CA . 51547 1 583 . 1 . 1 59 59 VAL CB C 13 31.772 0.3 . 1 . . . . . 59 VAL CB . 51547 1 584 . 1 . 1 59 59 VAL CG1 C 13 18.67 0.3 . 1 . . . . . 59 VAL CG1 . 51547 1 585 . 1 . 1 59 59 VAL CG2 C 13 16.734 0.3 . 1 . . . . . 59 VAL CG2 . 51547 1 586 . 1 . 1 59 59 VAL N N 15 110.031 0.3 . 1 . . . . . 59 VAL N . 51547 1 587 . 1 . 1 60 60 GLY H H 1 7.628 0.020 . 1 . . . . . 60 GLY H . 51547 1 588 . 1 . 1 60 60 GLY HA2 H 1 3.8 0.020 . 2 . . . . . 60 GLY HA2 . 51547 1 589 . 1 . 1 60 60 GLY HA3 H 1 3.667 0.020 . 2 . . . . . 60 GLY HA3 . 51547 1 590 . 1 . 1 60 60 GLY CA C 13 46.771 0.3 . 1 . . . . . 60 GLY CA . 51547 1 591 . 1 . 1 60 60 GLY N N 15 112.038 0.3 . 1 . . . . . 60 GLY N . 51547 1 592 . 1 . 1 61 61 ASP H H 1 7.991 0.020 . 1 . . . . . 61 ASP H . 51547 1 593 . 1 . 1 61 61 ASP HA H 1 3.78 0.020 . 1 . . . . . 61 ASP HA . 51547 1 594 . 1 . 1 61 61 ASP HB2 H 1 2.506 0.020 . 2 . . . . . 61 ASP HB2 . 51547 1 595 . 1 . 1 61 61 ASP HB3 H 1 2.247 0.020 . 2 . . . . . 61 ASP HB3 . 51547 1 596 . 1 . 1 61 61 ASP CA C 13 53.862 0.3 . 1 . . . . . 61 ASP CA . 51547 1 597 . 1 . 1 61 61 ASP CB C 13 42.121 0.3 . 1 . . . . . 61 ASP CB . 51547 1 598 . 1 . 1 61 61 ASP N N 15 119.992 0.3 . 1 . . . . . 61 ASP N . 51547 1 599 . 1 . 1 62 62 THR H H 1 8.321 0.020 . 1 . . . . . 62 THR H . 51547 1 600 . 1 . 1 62 62 THR HA H 1 4.612 0.020 . 1 . . . . . 62 THR HA . 51547 1 601 . 1 . 1 62 62 THR HB H 1 4.328 0.020 . 1 . . . . . 62 THR HB . 51547 1 602 . 1 . 1 62 62 THR HG21 H 1 0.924 0.020 . 1 . . . . . 62 THR HG2 . 51547 1 603 . 1 . 1 62 62 THR HG22 H 1 0.924 0.020 . 1 . . . . . 62 THR HG2 . 51547 1 604 . 1 . 1 62 62 THR HG23 H 1 0.924 0.020 . 1 . . . . . 62 THR HG2 . 51547 1 605 . 1 . 1 62 62 THR CA C 13 60.921 0.3 . 1 . . . . . 62 THR CA . 51547 1 606 . 1 . 1 62 62 THR CB C 13 68.911 0.3 . 1 . . . . . 62 THR CB . 51547 1 607 . 1 . 1 62 62 THR CG2 C 13 18.823 0.3 . 1 . . . . . 62 THR CG2 . 51547 1 608 . 1 . 1 62 62 THR N N 15 116.525 0.3 . 1 . . . . . 62 THR N . 51547 1 609 . 1 . 1 63 63 SER H H 1 8.528 0.020 . 1 . . . . . 63 SER H . 51547 1 610 . 1 . 1 63 63 SER HA H 1 4.085 0.020 . 1 . . . . . 63 SER HA . 51547 1 611 . 1 . 1 63 63 SER HB2 H 1 3.734 0.020 . 1 . . . . . 63 SER HB2 . 51547 1 612 . 1 . 1 63 63 SER HB3 H 1 3.734 0.020 . 1 . . . . . 63 SER HB3 . 51547 1 613 . 1 . 1 63 63 SER CA C 13 60.474 0.3 . 1 . . . . . 63 SER CA . 51547 1 614 . 1 . 1 63 63 SER CB C 13 64.333 0.3 . 1 . . . . . 63 SER CB . 51547 1 615 . 1 . 1 63 63 SER N N 15 119.016 0.3 . 1 . . . . . 63 SER N . 51547 1 616 . 1 . 1 64 64 LEU H H 1 7.515 0.020 . 1 . . . . . 64 LEU H . 51547 1 617 . 1 . 1 64 64 LEU HA H 1 4.201 0.020 . 1 . . . . . 64 LEU HA . 51547 1 618 . 1 . 1 64 64 LEU HB2 H 1 0.868 0.020 . 1 . . . . . 64 LEU HB2 . 51547 1 619 . 1 . 1 64 64 LEU HB3 H 1 0.868 0.020 . 1 . . . . . 64 LEU HB3 . 51547 1 620 . 1 . 1 64 64 LEU HG H 1 1.471 0.020 . 1 . . . . . 64 LEU HG . 51547 1 621 . 1 . 1 64 64 LEU CA C 13 53.676 0.3 . 1 . . . . . 64 LEU CA . 51547 1 622 . 1 . 1 64 64 LEU CB C 13 43.859 0.3 . 1 . . . . . 64 LEU CB . 51547 1 623 . 1 . 1 64 64 LEU CG C 13 24.2 0.3 . 1 . . . . . 64 LEU CG . 51547 1 624 . 1 . 1 64 64 LEU CD1 C 13 24.152 0.3 . 1 . . . . . 64 LEU CD1 . 51547 1 625 . 1 . 1 64 64 LEU CD2 C 13 20.653 0.3 . 1 . . . . . 64 LEU CD2 . 51547 1 626 . 1 . 1 64 64 LEU N N 15 123.051 0.3 . 1 . . . . . 64 LEU N . 51547 1 627 . 1 . 1 65 65 ASP H H 1 8.72 0.020 . 1 . . . . . 65 ASP H . 51547 1 628 . 1 . 1 65 65 ASP HA H 1 4.788 0.020 . 1 . . . . . 65 ASP HA . 51547 1 629 . 1 . 1 65 65 ASP HB2 H 1 2.915 0.020 . 2 . . . . . 65 ASP HB2 . 51547 1 630 . 1 . 1 65 65 ASP HB3 H 1 2.251 0.020 . 2 . . . . . 65 ASP HB3 . 51547 1 631 . 1 . 1 65 65 ASP CA C 13 50.238 0.3 . 1 . . . . . 65 ASP CA . 51547 1 632 . 1 . 1 65 65 ASP CB C 13 42.38 0.3 . 1 . . . . . 65 ASP CB . 51547 1 633 . 1 . 1 65 65 ASP N N 15 122.815 0.3 . 1 . . . . . 65 ASP N . 51547 1 634 . 1 . 1 66 66 PRO HA H 1 4.192 0.020 . 1 . . . . . 66 PRO HA . 51547 1 635 . 1 . 1 66 66 PRO HB2 H 1 1.977 0.020 . 2 . . . . . 66 PRO HB2 . 51547 1 636 . 1 . 1 66 66 PRO HB3 H 1 1.812 0.020 . 2 . . . . . 66 PRO HB3 . 51547 1 637 . 1 . 1 66 66 PRO HG2 H 1 2.087 0.020 . 2 . . . . . 66 PRO HG2 . 51547 1 638 . 1 . 1 66 66 PRO HG3 H 1 1.926 0.020 . 2 . . . . . 66 PRO HG3 . 51547 1 639 . 1 . 1 66 66 PRO HD2 H 1 3.945 0.020 . 2 . . . . . 66 PRO HD2 . 51547 1 640 . 1 . 1 66 66 PRO HD3 H 1 3.979 0.020 . 2 . . . . . 66 PRO HD3 . 51547 1 641 . 1 . 1 66 66 PRO CA C 13 64.993 0.3 . 1 . . . . . 66 PRO CA . 51547 1 642 . 1 . 1 66 66 PRO CB C 13 33.057 0.3 . 1 . . . . . 66 PRO CB . 51547 1 643 . 1 . 1 66 66 PRO CG C 13 25.351 0.3 . 1 . . . . . 66 PRO CG . 51547 1 644 . 1 . 1 66 66 PRO CD C 13 48.637 0.3 . 1 . . . . . 66 PRO CD . 51547 1 645 . 1 . 1 67 67 ASN H H 1 8.736 0.020 . 1 . . . . . 67 ASN H . 51547 1 646 . 1 . 1 67 67 ASN HA H 1 4.414 0.020 . 1 . . . . . 67 ASN HA . 51547 1 647 . 1 . 1 67 67 ASN HB2 H 1 2.631 0.020 . 2 . . . . . 67 ASN HB2 . 51547 1 648 . 1 . 1 67 67 ASN HB3 H 1 2.61 0.020 . 2 . . . . . 67 ASN HB3 . 51547 1 649 . 1 . 1 67 67 ASN HD21 H 1 8.006 0.020 . 1 . . . . . 67 ASN HD21 . 51547 1 650 . 1 . 1 67 67 ASN HD22 H 1 6.906 0.020 . 1 . . . . . 67 ASN HD22 . 51547 1 651 . 1 . 1 67 67 ASN CA C 13 55.261 0.3 . 1 . . . . . 67 ASN CA . 51547 1 652 . 1 . 1 67 67 ASN CB C 13 38.291 0.3 . 1 . . . . . 67 ASN CB . 51547 1 653 . 1 . 1 67 67 ASN N N 15 115.01 0.3 . 1 . . . . . 67 ASN N . 51547 1 654 . 1 . 1 67 67 ASN ND2 N 15 115.418 0.3 . 1 . . . . . 67 ASN ND2 . 51547 1 655 . 1 . 1 68 68 ASP H H 1 8.264 0.020 . 1 . . . . . 68 ASP H . 51547 1 656 . 1 . 1 68 68 ASP HA H 1 4.428 0.020 . 1 . . . . . 68 ASP HA . 51547 1 657 . 1 . 1 68 68 ASP HB2 H 1 2.88 0.020 . 1 . . . . . 68 ASP HB2 . 51547 1 658 . 1 . 1 68 68 ASP HB3 H 1 2.88 0.020 . 1 . . . . . 68 ASP HB3 . 51547 1 659 . 1 . 1 68 68 ASP CA C 13 55.201 0.3 . 1 . . . . . 68 ASP CA . 51547 1 660 . 1 . 1 68 68 ASP CB C 13 40.234 0.3 . 1 . . . . . 68 ASP CB . 51547 1 661 . 1 . 1 68 68 ASP N N 15 118.863 0.3 . 1 . . . . . 68 ASP N . 51547 1 662 . 1 . 1 69 69 PHE H H 1 6.903 0.020 . 1 . . . . . 69 PHE H . 51547 1 663 . 1 . 1 69 69 PHE HA H 1 3.764 0.020 . 1 . . . . . 69 PHE HA . 51547 1 664 . 1 . 1 69 69 PHE HB2 H 1 2.6 0.020 . 2 . . . . . 69 PHE HB2 . 51547 1 665 . 1 . 1 69 69 PHE HB3 H 1 1.894 0.020 . 2 . . . . . 69 PHE HB3 . 51547 1 666 . 1 . 1 69 69 PHE HE1 H 1 5.783 0.020 . 1 . . . . . 69 PHE HE1 . 51547 1 667 . 1 . 1 69 69 PHE HE2 H 1 5.783 0.020 . 1 . . . . . 69 PHE HE2 . 51547 1 668 . 1 . 1 69 69 PHE CA C 13 57.795 0.3 . 1 . . . . . 69 PHE CA . 51547 1 669 . 1 . 1 69 69 PHE CB C 13 39.43 0.3 . 1 . . . . . 69 PHE CB . 51547 1 670 . 1 . 1 69 69 PHE CD1 C 13 129.01 0.3 . 1 . . . . . 69 PHE CD1 . 51547 1 671 . 1 . 1 69 69 PHE CE1 C 13 127.231 0.3 . 1 . . . . . 69 PHE CE1 . 51547 1 672 . 1 . 1 69 69 PHE CZ C 13 126.07 0.3 . 1 . . . . . 69 PHE CZ . 51547 1 673 . 1 . 1 69 69 PHE N N 15 119.174 0.3 . 1 . . . . . 69 PHE N . 51547 1 674 . 1 . 1 70 70 ASP H H 1 8.886 0.020 . 1 . . . . . 70 ASP H . 51547 1 675 . 1 . 1 70 70 ASP HA H 1 3.889 0.020 . 1 . . . . . 70 ASP HA . 51547 1 676 . 1 . 1 70 70 ASP HB2 H 1 2.937 0.020 . 2 . . . . . 70 ASP HB2 . 51547 1 677 . 1 . 1 70 70 ASP HB3 H 1 2.246 0.020 . 2 . . . . . 70 ASP HB3 . 51547 1 678 . 1 . 1 70 70 ASP CA C 13 53.596 0.3 . 1 . . . . . 70 ASP CA . 51547 1 679 . 1 . 1 70 70 ASP CB C 13 41.535 0.3 . 1 . . . . . 70 ASP CB . 51547 1 680 . 1 . 1 70 70 ASP N N 15 124.616 0.3 . 1 . . . . . 70 ASP N . 51547 1 681 . 1 . 1 71 71 PHE H H 1 8.981 0.020 . 1 . . . . . 71 PHE H . 51547 1 682 . 1 . 1 71 71 PHE HA H 1 4.353 0.020 . 1 . . . . . 71 PHE HA . 51547 1 683 . 1 . 1 71 71 PHE HB2 H 1 2.612 0.020 . 1 . . . . . 71 PHE HB2 . 51547 1 684 . 1 . 1 71 71 PHE HB3 H 1 2.612 0.020 . 1 . . . . . 71 PHE HB3 . 51547 1 685 . 1 . 1 71 71 PHE HD1 H 1 7.039 0.020 . 1 . . . . . 71 PHE HD1 . 51547 1 686 . 1 . 1 71 71 PHE HD2 H 1 7.039 0.020 . 1 . . . . . 71 PHE HD2 . 51547 1 687 . 1 . 1 71 71 PHE HE1 H 1 6.923 0.020 . 1 . . . . . 71 PHE HE1 . 51547 1 688 . 1 . 1 71 71 PHE HE2 H 1 6.923 0.020 . 1 . . . . . 71 PHE HE2 . 51547 1 689 . 1 . 1 71 71 PHE HZ H 1 6.565 0.020 . 1 . . . . . 71 PHE HZ . 51547 1 690 . 1 . 1 71 71 PHE CA C 13 59.048 0.3 . 1 . . . . . 71 PHE CA . 51547 1 691 . 1 . 1 71 71 PHE CB C 13 39.837 0.3 . 1 . . . . . 71 PHE CB . 51547 1 692 . 1 . 1 71 71 PHE CD1 C 13 129.484 0.3 . 1 . . . . . 71 PHE CD1 . 51547 1 693 . 1 . 1 71 71 PHE CE1 C 13 127.716 0.3 . 1 . . . . . 71 PHE CE1 . 51547 1 694 . 1 . 1 71 71 PHE CZ C 13 125.581 0.3 . 1 . . . . . 71 PHE CZ . 51547 1 695 . 1 . 1 71 71 PHE N N 15 125.193 0.3 . 1 . . . . . 71 PHE N . 51547 1 696 . 1 . 1 72 72 THR H H 1 8.973 0.020 . 1 . . . . . 72 THR H . 51547 1 697 . 1 . 1 72 72 THR HA H 1 4.377 0.020 . 1 . . . . . 72 THR HA . 51547 1 698 . 1 . 1 72 72 THR HB H 1 4.166 0.020 . 1 . . . . . 72 THR HB . 51547 1 699 . 1 . 1 72 72 THR HG21 H 1 1.189 0.020 . 1 . . . . . 72 THR HG2 . 51547 1 700 . 1 . 1 72 72 THR HG22 H 1 1.189 0.020 . 1 . . . . . 72 THR HG2 . 51547 1 701 . 1 . 1 72 72 THR HG23 H 1 1.189 0.020 . 1 . . . . . 72 THR HG2 . 51547 1 702 . 1 . 1 72 72 THR CA C 13 62.544 0.3 . 1 . . . . . 72 THR CA . 51547 1 703 . 1 . 1 72 72 THR CB C 13 70.729 0.3 . 1 . . . . . 72 THR CB . 51547 1 704 . 1 . 1 72 72 THR CG2 C 13 19.834 0.3 . 1 . . . . . 72 THR CG2 . 51547 1 705 . 1 . 1 72 72 THR N N 15 113.02 0.3 . 1 . . . . . 72 THR N . 51547 1 706 . 1 . 1 73 73 VAL H H 1 8.935 0.020 . 1 . . . . . 73 VAL H . 51547 1 707 . 1 . 1 73 73 VAL HA H 1 3.149 0.020 . 1 . . . . . 73 VAL HA . 51547 1 708 . 1 . 1 73 73 VAL HB H 1 1.892 0.020 . 1 . . . . . 73 VAL HB . 51547 1 709 . 1 . 1 73 73 VAL HG11 H 1 0.979 0.020 . 2 . . . . . 73 VAL HG1 . 51547 1 710 . 1 . 1 73 73 VAL HG12 H 1 0.979 0.020 . 2 . . . . . 73 VAL HG1 . 51547 1 711 . 1 . 1 73 73 VAL HG13 H 1 0.979 0.020 . 2 . . . . . 73 VAL HG1 . 51547 1 712 . 1 . 1 73 73 VAL HG21 H 1 0.544 0.020 . 2 . . . . . 73 VAL HG2 . 51547 1 713 . 1 . 1 73 73 VAL HG22 H 1 0.544 0.020 . 2 . . . . . 73 VAL HG2 . 51547 1 714 . 1 . 1 73 73 VAL HG23 H 1 0.544 0.020 . 2 . . . . . 73 VAL HG2 . 51547 1 715 . 1 . 1 73 73 VAL CA C 13 67.613 0.3 . 1 . . . . . 73 VAL CA . 51547 1 716 . 1 . 1 73 73 VAL CB C 13 32.018 0.3 . 1 . . . . . 73 VAL CB . 51547 1 717 . 1 . 1 73 73 VAL CG1 C 13 21.37 0.3 . 1 . . . . . 73 VAL CG1 . 51547 1 718 . 1 . 1 73 73 VAL CG2 C 13 18.873 0.3 . 1 . . . . . 73 VAL CG2 . 51547 1 719 . 1 . 1 73 73 VAL N N 15 123.833 0.3 . 1 . . . . . 73 VAL N . 51547 1 720 . 1 . 1 74 74 THR H H 1 7.771 0.020 . 1 . . . . . 74 THR H . 51547 1 721 . 1 . 1 74 74 THR HA H 1 4.072 0.020 . 1 . . . . . 74 THR HA . 51547 1 722 . 1 . 1 74 74 THR HB H 1 4.118 0.020 . 1 . . . . . 74 THR HB . 51547 1 723 . 1 . 1 74 74 THR HG21 H 1 0.8 0.020 . 1 . . . . . 74 THR HG2 . 51547 1 724 . 1 . 1 74 74 THR HG22 H 1 0.8 0.020 . 1 . . . . . 74 THR HG2 . 51547 1 725 . 1 . 1 74 74 THR HG23 H 1 0.8 0.020 . 1 . . . . . 74 THR HG2 . 51547 1 726 . 1 . 1 74 74 THR CA C 13 62.02 0.3 . 1 . . . . . 74 THR CA . 51547 1 727 . 1 . 1 74 74 THR CB C 13 69.994 0.3 . 1 . . . . . 74 THR CB . 51547 1 728 . 1 . 1 74 74 THR CG2 C 13 19.872 0.3 . 1 . . . . . 74 THR CG2 . 51547 1 729 . 1 . 1 74 74 THR N N 15 104.648 0.3 . 1 . . . . . 74 THR N . 51547 1 730 . 1 . 1 75 75 GLY H H 1 7.25 0.020 . 1 . . . . . 75 GLY H . 51547 1 731 . 1 . 1 75 75 GLY HA2 H 1 4.209 0.020 . 2 . . . . . 75 GLY HA2 . 51547 1 732 . 1 . 1 75 75 GLY HA3 H 1 3.791 0.020 . 2 . . . . . 75 GLY HA3 . 51547 1 733 . 1 . 1 75 75 GLY CA C 13 45.033 0.3 . 1 . . . . . 75 GLY CA . 51547 1 734 . 1 . 1 75 75 GLY N N 15 111.346 0.3 . 1 . . . . . 75 GLY N . 51547 1 735 . 1 . 1 76 76 ARG H H 1 8.952 0.020 . 1 . . . . . 76 ARG H . 51547 1 736 . 1 . 1 76 76 ARG HA H 1 4.004 0.020 . 1 . . . . . 76 ARG HA . 51547 1 737 . 1 . 1 76 76 ARG HB2 H 1 1.619 0.020 . 1 . . . . . 76 ARG HB2 . 51547 1 738 . 1 . 1 76 76 ARG HB3 H 1 1.619 0.020 . 1 . . . . . 76 ARG HB3 . 51547 1 739 . 1 . 1 76 76 ARG HG2 H 1 1.494 0.020 . 1 . . . . . 76 ARG HG2 . 51547 1 740 . 1 . 1 76 76 ARG HG3 H 1 1.494 0.020 . 1 . . . . . 76 ARG HG3 . 51547 1 741 . 1 . 1 76 76 ARG HD2 H 1 2.993 0.020 . 1 . . . . . 76 ARG HD2 . 51547 1 742 . 1 . 1 76 76 ARG HD3 H 1 2.993 0.020 . 1 . . . . . 76 ARG HD3 . 51547 1 743 . 1 . 1 76 76 ARG CA C 13 56.819 0.3 . 1 . . . . . 76 ARG CA . 51547 1 744 . 1 . 1 76 76 ARG CB C 13 30.9 0.3 . 1 . . . . . 76 ARG CB . 51547 1 745 . 1 . 1 76 76 ARG CG C 13 24.301 0.3 . 1 . . . . . 76 ARG CG . 51547 1 746 . 1 . 1 76 76 ARG CD C 13 41.423 0.3 . 1 . . . . . 76 ARG CD . 51547 1 747 . 1 . 1 76 76 ARG N N 15 122.096 0.3 . 1 . . . . . 76 ARG N . 51547 1 748 . 1 . 1 77 77 GLY H H 1 8.365 0.020 . 1 . . . . . 77 GLY H . 51547 1 749 . 1 . 1 77 77 GLY HA2 H 1 3.882 0.020 . 2 . . . . . 77 GLY HA2 . 51547 1 750 . 1 . 1 77 77 GLY HA3 H 1 3.145 0.020 . 2 . . . . . 77 GLY HA3 . 51547 1 751 . 1 . 1 77 77 GLY CA C 13 44.834 0.3 . 1 . . . . . 77 GLY CA . 51547 1 752 . 1 . 1 77 77 GLY N N 15 109.411 0.3 . 1 . . . . . 77 GLY N . 51547 1 753 . 1 . 1 78 78 SER H H 1 8.087 0.020 . 1 . . . . . 78 SER H . 51547 1 754 . 1 . 1 78 78 SER HA H 1 4.25 0.020 . 1 . . . . . 78 SER HA . 51547 1 755 . 1 . 1 78 78 SER HB2 H 1 3.733 0.020 . 1 . . . . . 78 SER HB2 . 51547 1 756 . 1 . 1 78 78 SER HB3 H 1 3.733 0.020 . 1 . . . . . 78 SER HB3 . 51547 1 757 . 1 . 1 78 78 SER CA C 13 56.699 0.3 . 1 . . . . . 78 SER CA . 51547 1 758 . 1 . 1 78 78 SER CB C 13 64.082 0.3 . 1 . . . . . 78 SER CB . 51547 1 759 . 1 . 1 78 78 SER N N 15 116.903 0.3 . 1 . . . . . 78 SER N . 51547 1 760 . 1 . 1 79 79 PRO HA H 1 3.841 0.020 . 1 . . . . . 79 PRO HA . 51547 1 761 . 1 . 1 79 79 PRO CA C 13 63.552 0.3 . 1 . . . . . 79 PRO CA . 51547 1 762 . 1 . 1 80 80 SER H H 1 8.197 0.020 . 1 . . . . . 80 SER H . 51547 1 763 . 1 . 1 80 80 SER HA H 1 4.323 0.020 . 1 . . . . . 80 SER HA . 51547 1 764 . 1 . 1 80 80 SER HB2 H 1 3.737 0.020 . 1 . . . . . 80 SER HB2 . 51547 1 765 . 1 . 1 80 80 SER HB3 H 1 3.737 0.020 . 1 . . . . . 80 SER HB3 . 51547 1 766 . 1 . 1 80 80 SER CA C 13 59.017 0.3 . 1 . . . . . 80 SER CA . 51547 1 767 . 1 . 1 80 80 SER CB C 13 63.449 0.3 . 1 . . . . . 80 SER CB . 51547 1 768 . 1 . 1 80 80 SER N N 15 113.985 0.3 . 1 . . . . . 80 SER N . 51547 1 769 . 1 . 1 81 81 ARG H H 1 8.024 0.020 . 1 . . . . . 81 ARG H . 51547 1 770 . 1 . 1 81 81 ARG HA H 1 4.118 0.020 . 1 . . . . . 81 ARG HA . 51547 1 771 . 1 . 1 81 81 ARG HB2 H 1 1.546 0.020 . 1 . . . . . 81 ARG HB2 . 51547 1 772 . 1 . 1 81 81 ARG HB3 H 1 1.546 0.020 . 1 . . . . . 81 ARG HB3 . 51547 1 773 . 1 . 1 81 81 ARG CA C 13 56.5 0.3 . 1 . . . . . 81 ARG CA . 51547 1 774 . 1 . 1 81 81 ARG CB C 13 33.135 0.3 . 1 . . . . . 81 ARG CB . 51547 1 775 . 1 . 1 81 81 ARG N N 15 122.559 0.3 . 1 . . . . . 81 ARG N . 51547 1 776 . 1 . 1 82 82 ARG H H 1 8.275 0.020 . 1 . . . . . 82 ARG H . 51547 1 777 . 1 . 1 82 82 ARG HA H 1 4.08 0.020 . 1 . . . . . 82 ARG HA . 51547 1 778 . 1 . 1 82 82 ARG HB2 H 1 1.546 0.020 . 1 . . . . . 82 ARG HB2 . 51547 1 779 . 1 . 1 82 82 ARG HB3 H 1 1.546 0.020 . 1 . . . . . 82 ARG HB3 . 51547 1 780 . 1 . 1 82 82 ARG CA C 13 54.222 0.3 . 1 . . . . . 82 ARG CA . 51547 1 781 . 1 . 1 82 82 ARG CB C 13 29.255 0.3 . 1 . . . . . 82 ARG CB . 51547 1 782 . 1 . 1 82 82 ARG N N 15 124.036 0.3 . 1 . . . . . 82 ARG N . 51547 1 783 . 1 . 1 91 91 LYS H H 1 8.469 0.020 . 1 . . . . . 91 LYS H . 51547 1 784 . 1 . 1 91 91 LYS HA H 1 4.631 0.020 . 1 . . . . . 91 LYS HA . 51547 1 785 . 1 . 1 91 91 LYS HB2 H 1 1.605 0.020 . 1 . . . . . 91 LYS HB2 . 51547 1 786 . 1 . 1 91 91 LYS HB3 H 1 1.605 0.020 . 1 . . . . . 91 LYS HB3 . 51547 1 787 . 1 . 1 91 91 LYS CA C 13 56.939 0.3 . 1 . . . . . 91 LYS CA . 51547 1 788 . 1 . 1 91 91 LYS CB C 13 33.028 0.3 . 1 . . . . . 91 LYS CB . 51547 1 789 . 1 . 1 91 91 LYS N N 15 121.7 0.3 . 1 . . . . . 91 LYS N . 51547 1 790 . 1 . 1 92 92 SER H H 1 8.304 0.020 . 1 . . . . . 92 SER H . 51547 1 791 . 1 . 1 92 92 SER HA H 1 4.549 0.020 . 1 . . . . . 92 SER HA . 51547 1 792 . 1 . 1 92 92 SER HB2 H 1 4.118 0.020 . 1 . . . . . 92 SER HB2 . 51547 1 793 . 1 . 1 92 92 SER HB3 H 1 4.118 0.020 . 1 . . . . . 92 SER HB3 . 51547 1 794 . 1 . 1 92 92 SER CA C 13 56.42 0.3 . 1 . . . . . 92 SER CA . 51547 1 795 . 1 . 1 92 92 SER CB C 13 62.753 0.3 . 1 . . . . . 92 SER CB . 51547 1 796 . 1 . 1 92 92 SER N N 15 118.603 0.3 . 1 . . . . . 92 SER N . 51547 1 797 . 1 . 1 94 94 LYS H H 1 8.272 0.020 . 1 . . . . . 94 LYS H . 51547 1 798 . 1 . 1 94 94 LYS HA H 1 4.193 0.020 . 1 . . . . . 94 LYS HA . 51547 1 799 . 1 . 1 94 94 LYS HB2 H 1 1.622 0.020 . 1 . . . . . 94 LYS HB2 . 51547 1 800 . 1 . 1 94 94 LYS HB3 H 1 1.622 0.020 . 1 . . . . . 94 LYS HB3 . 51547 1 801 . 1 . 1 94 94 LYS CA C 13 56.34 0.3 . 1 . . . . . 94 LYS CA . 51547 1 802 . 1 . 1 94 94 LYS CB C 13 33.028 0.3 . 1 . . . . . 94 LYS CB . 51547 1 803 . 1 . 1 94 94 LYS N N 15 121.711 0.3 . 1 . . . . . 94 LYS N . 51547 1 804 . 1 . 1 95 95 ALA H H 1 8.262 0.020 . 1 . . . . . 95 ALA H . 51547 1 805 . 1 . 1 95 95 ALA HA H 1 4.187 0.020 . 1 . . . . . 95 ALA HA . 51547 1 806 . 1 . 1 95 95 ALA HB1 H 1 1.213 0.020 . 1 . . . . . 95 ALA HB . 51547 1 807 . 1 . 1 95 95 ALA HB2 H 1 1.213 0.020 . 1 . . . . . 95 ALA HB . 51547 1 808 . 1 . 1 95 95 ALA HB3 H 1 1.213 0.020 . 1 . . . . . 95 ALA HB . 51547 1 809 . 1 . 1 95 95 ALA CA C 13 52.624 0.3 . 1 . . . . . 95 ALA CA . 51547 1 810 . 1 . 1 95 95 ALA CB C 13 19.284 0.3 . 1 . . . . . 95 ALA CB . 51547 1 811 . 1 . 1 95 95 ALA N N 15 125.765 0.3 . 1 . . . . . 95 ALA N . 51547 1 812 . 1 . 1 96 96 THR H H 1 8.062 0.020 . 1 . . . . . 96 THR H . 51547 1 813 . 1 . 1 96 96 THR HA H 1 4.158 0.020 . 1 . . . . . 96 THR HA . 51547 1 814 . 1 . 1 96 96 THR HB H 1 4.008 0.020 . 1 . . . . . 96 THR HB . 51547 1 815 . 1 . 1 96 96 THR HG21 H 1 1.133 0.020 . 1 . . . . . 96 THR HG2 . 51547 1 816 . 1 . 1 96 96 THR HG22 H 1 1.133 0.020 . 1 . . . . . 96 THR HG2 . 51547 1 817 . 1 . 1 96 96 THR HG23 H 1 1.133 0.020 . 1 . . . . . 96 THR HG2 . 51547 1 818 . 1 . 1 96 96 THR CA C 13 61.733 0.3 . 1 . . . . . 96 THR CA . 51547 1 819 . 1 . 1 96 96 THR CB C 13 69.94 0.3 . 1 . . . . . 96 THR CB . 51547 1 820 . 1 . 1 96 96 THR N N 15 113.572 0.3 . 1 . . . . . 96 THR N . 51547 1 821 . 1 . 1 98 98 HIS H H 1 8.405 0.020 . 1 . . . . . 98 HIS H . 51547 1 822 . 1 . 1 98 98 HIS HA H 1 4.099 0.020 . 1 . . . . . 98 HIS HA . 51547 1 823 . 1 . 1 98 98 HIS HB2 H 1 1.754 0.020 . 1 . . . . . 98 HIS HB2 . 51547 1 824 . 1 . 1 98 98 HIS HB3 H 1 1.754 0.020 . 1 . . . . . 98 HIS HB3 . 51547 1 825 . 1 . 1 98 98 HIS CA C 13 57.139 0.3 . 1 . . . . . 98 HIS CA . 51547 1 826 . 1 . 1 98 98 HIS N N 15 120.281 0.3 . 1 . . . . . 98 HIS N . 51547 1 stop_ save_