data_27426 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27426 _Entry.Title ; Chemical shift assignments for mutant Hs MBD2 intrinsically disordered region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-15 _Entry.Accession_date 2018-03-15 _Entry.Last_release_date 2018-03-15 _Entry.Original_release_date 2018-03-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.Generated_software_label . _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 David Williams . . . . 27426 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of North Carolina -' . 27426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 27426 '15N chemical shifts' 107 27426 '1H chemical shifts' 403 27426 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-03-19 . original BMRB . 27426 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25426 'Wild-type MBD2 intrinsically disordered region' 27426 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27426 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Disruption of the MBD2-NuRD complex but not MBD3-NuRD induces high levels of expression in human adult erythroid cells ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaofei Yu . . . . 27426 1 2 Alexander Azzo . . . . 27426 1 3 Stephanie Bilinovich . . . . 27426 1 4 Ryo Kurita . . . . 27426 1 5 Yukio Nakamura . . . . 27426 1 6 David Williams . . . . 27426 1 7 Gordon Ginder . . . . 27426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27426 _Assembly.ID 1 _Assembly.Name 'MBD2 mutant IDR' _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 'MBD2 mutant IDR' 1 $MBD2(R286E-L287A) A . yes native no no . . . 27426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBD2(R286E-L287A) _Entity.Sf_category entity _Entity.Sf_framecode MBD2(R286E-L287A) _Entity.Entry_ID 27426 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBD2(R286E-L287A) _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 ; GSDLNTTLPIRQTASIFKQP VTKVTNHPSNKVKSDPQRMN EQPRQLFWEKEAQGLSASDV TEQIIKTMELPKGLQGVGPG SNDETLLSAVASALHTSSAP ITGQVSAAVEKNPAVWLNTS Q ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27426 1 2 . SER . 27426 1 3 . ASP . 27426 1 4 . LEU . 27426 1 5 . ASN . 27426 1 6 . THR . 27426 1 7 . THR . 27426 1 8 . LEU . 27426 1 9 . PRO . 27426 1 10 . ILE . 27426 1 11 . ARG . 27426 1 12 . GLN . 27426 1 13 . THR . 27426 1 14 . ALA . 27426 1 15 . SER . 27426 1 16 . ILE . 27426 1 17 . PHE . 27426 1 18 . LYS . 27426 1 19 . GLN . 27426 1 20 . PRO . 27426 1 21 . VAL . 27426 1 22 . THR . 27426 1 23 . LYS . 27426 1 24 . VAL . 27426 1 25 . THR . 27426 1 26 . ASN . 27426 1 27 . HIS . 27426 1 28 . PRO . 27426 1 29 . SER . 27426 1 30 . ASN . 27426 1 31 . LYS . 27426 1 32 . VAL . 27426 1 33 . LYS . 27426 1 34 . SER . 27426 1 35 . ASP . 27426 1 36 . PRO . 27426 1 37 . GLN . 27426 1 38 . ARG . 27426 1 39 . MET . 27426 1 40 . ASN . 27426 1 41 . GLU . 27426 1 42 . GLN . 27426 1 43 . PRO . 27426 1 44 . ARG . 27426 1 45 . GLN . 27426 1 46 . LEU . 27426 1 47 . PHE . 27426 1 48 . TRP . 27426 1 49 . GLU . 27426 1 50 . LYS . 27426 1 51 . GLU . 27426 1 52 . ALA . 27426 1 53 . GLN . 27426 1 54 . GLY . 27426 1 55 . LEU . 27426 1 56 . SER . 27426 1 57 . ALA . 27426 1 58 . SER . 27426 1 59 . ASP . 27426 1 60 . VAL . 27426 1 61 . THR . 27426 1 62 . GLU . 27426 1 63 . GLN . 27426 1 64 . ILE . 27426 1 65 . ILE . 27426 1 66 . LYS . 27426 1 67 . THR . 27426 1 68 . MET . 27426 1 69 . GLU . 27426 1 70 . LEU . 27426 1 71 . PRO . 27426 1 72 . LYS . 27426 1 73 . GLY . 27426 1 74 . LEU . 27426 1 75 . GLN . 27426 1 76 . GLY . 27426 1 77 . VAL . 27426 1 78 . GLY . 27426 1 79 . PRO . 27426 1 80 . GLY . 27426 1 81 . SER . 27426 1 82 . ASN . 27426 1 83 . ASP . 27426 1 84 . GLU . 27426 1 85 . THR . 27426 1 86 . LEU . 27426 1 87 . LEU . 27426 1 88 . SER . 27426 1 89 . ALA . 27426 1 90 . VAL . 27426 1 91 . ALA . 27426 1 92 . SER . 27426 1 93 . ALA . 27426 1 94 . LEU . 27426 1 95 . HIS . 27426 1 96 . THR . 27426 1 97 . SER . 27426 1 98 . SER . 27426 1 99 . ALA . 27426 1 100 . PRO . 27426 1 101 . ILE . 27426 1 102 . THR . 27426 1 103 . GLY . 27426 1 104 . GLN . 27426 1 105 . VAL . 27426 1 106 . SER . 27426 1 107 . ALA . 27426 1 108 . ALA . 27426 1 109 . VAL . 27426 1 110 . GLU . 27426 1 111 . LYS . 27426 1 112 . ASN . 27426 1 113 . PRO . 27426 1 114 . ALA . 27426 1 115 . VAL . 27426 1 116 . TRP . 27426 1 117 . LEU . 27426 1 118 . ASN . 27426 1 119 . THR . 27426 1 120 . SER . 27426 1 121 . GLN . 27426 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 27426 1 . SER 2 2 27426 1 . ASP 3 3 27426 1 . LEU 4 4 27426 1 . ASN 5 5 27426 1 . THR 6 6 27426 1 . THR 7 7 27426 1 . LEU 8 8 27426 1 . PRO 9 9 27426 1 . ILE 10 10 27426 1 . ARG 11 11 27426 1 . GLN 12 12 27426 1 . THR 13 13 27426 1 . ALA 14 14 27426 1 . SER 15 15 27426 1 . ILE 16 16 27426 1 . PHE 17 17 27426 1 . LYS 18 18 27426 1 . GLN 19 19 27426 1 . PRO 20 20 27426 1 . VAL 21 21 27426 1 . THR 22 22 27426 1 . LYS 23 23 27426 1 . VAL 24 24 27426 1 . THR 25 25 27426 1 . ASN 26 26 27426 1 . HIS 27 27 27426 1 . PRO 28 28 27426 1 . SER 29 29 27426 1 . ASN 30 30 27426 1 . LYS 31 31 27426 1 . VAL 32 32 27426 1 . LYS 33 33 27426 1 . SER 34 34 27426 1 . ASP 35 35 27426 1 . PRO 36 36 27426 1 . GLN 37 37 27426 1 . ARG 38 38 27426 1 . MET 39 39 27426 1 . ASN 40 40 27426 1 . GLU 41 41 27426 1 . GLN 42 42 27426 1 . PRO 43 43 27426 1 . ARG 44 44 27426 1 . GLN 45 45 27426 1 . LEU 46 46 27426 1 . PHE 47 47 27426 1 . TRP 48 48 27426 1 . GLU 49 49 27426 1 . LYS 50 50 27426 1 . GLU 51 51 27426 1 . ALA 52 52 27426 1 . GLN 53 53 27426 1 . GLY 54 54 27426 1 . LEU 55 55 27426 1 . SER 56 56 27426 1 . ALA 57 57 27426 1 . SER 58 58 27426 1 . ASP 59 59 27426 1 . VAL 60 60 27426 1 . THR 61 61 27426 1 . GLU 62 62 27426 1 . GLN 63 63 27426 1 . ILE 64 64 27426 1 . ILE 65 65 27426 1 . LYS 66 66 27426 1 . THR 67 67 27426 1 . MET 68 68 27426 1 . GLU 69 69 27426 1 . LEU 70 70 27426 1 . PRO 71 71 27426 1 . LYS 72 72 27426 1 . GLY 73 73 27426 1 . LEU 74 74 27426 1 . GLN 75 75 27426 1 . GLY 76 76 27426 1 . VAL 77 77 27426 1 . GLY 78 78 27426 1 . PRO 79 79 27426 1 . GLY 80 80 27426 1 . SER 81 81 27426 1 . ASN 82 82 27426 1 . ASP 83 83 27426 1 . GLU 84 84 27426 1 . THR 85 85 27426 1 . LEU 86 86 27426 1 . LEU 87 87 27426 1 . SER 88 88 27426 1 . ALA 89 89 27426 1 . VAL 90 90 27426 1 . ALA 91 91 27426 1 . SER 92 92 27426 1 . ALA 93 93 27426 1 . LEU 94 94 27426 1 . HIS 95 95 27426 1 . THR 96 96 27426 1 . SER 97 97 27426 1 . SER 98 98 27426 1 . ALA 99 99 27426 1 . PRO 100 100 27426 1 . ILE 101 101 27426 1 . THR 102 102 27426 1 . GLY 103 103 27426 1 . GLN 104 104 27426 1 . VAL 105 105 27426 1 . SER 106 106 27426 1 . ALA 107 107 27426 1 . ALA 108 108 27426 1 . VAL 109 109 27426 1 . GLU 110 110 27426 1 . LYS 111 111 27426 1 . ASN 112 112 27426 1 . PRO 113 113 27426 1 . ALA 114 114 27426 1 . VAL 115 115 27426 1 . TRP 116 116 27426 1 . LEU 117 117 27426 1 . ASN 118 118 27426 1 . THR 119 119 27426 1 . SER 120 120 27426 1 . GLN 121 121 27426 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 27426 _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 $MBD2(R286E-L287A) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27426 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 27426 _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 $MBD2(R286E-L287A) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32 . . . 27426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27426 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MBD2 mutant IDR' '[U-99% 13C; U-99% 15N]' . . 1 $MBD2(R286E-L287A) . . 1 . . mM . . . . 27426 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27426 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 27426 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 . M 27426 1 pH 6.0 . pH 27426 1 pressure 1 . atm 27426 1 temperature 298 . K 27426 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27426 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27426 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27426 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27426 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27426 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27426 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27426 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker INOVA . 700 . . . 27426 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 27426 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27426 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27426 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27426 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27426 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27426 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27426 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27426 1 2 '3D HNCO' . . . 27426 1 3 '3D HNCA' . . . 27426 1 4 '3D CBCA(CO)NH' . . . 27426 1 5 '3D HNCACB' . . . 27426 1 6 '3D 1H-15N NOESY' . . . 27426 1 7 '3D HBHA(CO)NH' . . . 27426 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 $NMRPipe . . 27426 1 2 $CcpNMR . . 27426 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 HA H 1 4.516 0.000 . 1 . . . . . 2 SER HA . 27426 1 2 . 1 1 2 2 SER HB2 H 1 3.861 0.000 . 1 . . . . . 2 SER HB2 . 27426 1 3 . 1 1 2 2 SER HB3 H 1 3.861 0.000 . 1 . . . . . 2 SER HB3 . 27426 1 4 . 1 1 2 2 SER C C 13 174.061 0.000 . 1 . . . . . 2 SER C . 27426 1 5 . 1 1 2 2 SER CA C 13 58.299 0.025 . 1 . . . . . 2 SER CA . 27426 1 6 . 1 1 2 2 SER CB C 13 63.907 0.031 . 1 . . . . . 2 SER CB . 27426 1 7 . 1 1 3 3 ASP H H 1 8.537 0.001 . 1 . . . . . 3 ASP H . 27426 1 8 . 1 1 3 3 ASP HA H 1 4.597 0.000 . 1 . . . . . 3 ASP HA . 27426 1 9 . 1 1 3 3 ASP HB2 H 1 2.713 0.000 . 2 . . . . . 3 ASP HB2 . 27426 1 10 . 1 1 3 3 ASP HB3 H 1 2.613 0.000 . 2 . . . . . 3 ASP HB3 . 27426 1 11 . 1 1 3 3 ASP C C 13 176.232 0.000 . 1 . . . . . 3 ASP C . 27426 1 12 . 1 1 3 3 ASP CA C 13 54.333 0.029 . 1 . . . . . 3 ASP CA . 27426 1 13 . 1 1 3 3 ASP CB C 13 41.030 0.020 . 1 . . . . . 3 ASP CB . 27426 1 14 . 1 1 3 3 ASP N N 15 122.538 0.028 . 1 . . . . . 3 ASP N . 27426 1 15 . 1 1 4 4 LEU H H 1 8.268 0.002 . 1 . . . . . 4 LEU H . 27426 1 16 . 1 1 4 4 LEU HA H 1 4.308 0.000 . 1 . . . . . 4 LEU HA . 27426 1 17 . 1 1 4 4 LEU HB2 H 1 1.607 0.000 . 1 . . . . . 4 LEU HB2 . 27426 1 18 . 1 1 4 4 LEU HB3 H 1 1.607 0.000 . 1 . . . . . 4 LEU HB3 . 27426 1 19 . 1 1 4 4 LEU C C 13 177.330 0.000 . 1 . . . . . 4 LEU C . 27426 1 20 . 1 1 4 4 LEU CA C 13 55.504 0.034 . 1 . . . . . 4 LEU CA . 27426 1 21 . 1 1 4 4 LEU CB C 13 42.189 0.037 . 1 . . . . . 4 LEU CB . 27426 1 22 . 1 1 4 4 LEU N N 15 122.518 0.014 . 1 . . . . . 4 LEU N . 27426 1 23 . 1 1 5 5 ASN H H 1 8.487 0.001 . 1 . . . . . 5 ASN H . 27426 1 24 . 1 1 5 5 ASN HA H 1 4.743 0.000 . 1 . . . . . 5 ASN HA . 27426 1 25 . 1 1 5 5 ASN HB2 H 1 2.790 0.000 . 2 . . . . . 5 ASN HB2 . 27426 1 26 . 1 1 5 5 ASN HB3 H 1 2.863 0.000 . 2 . . . . . 5 ASN HB3 . 27426 1 27 . 1 1 5 5 ASN C C 13 175.545 0.000 . 1 . . . . . 5 ASN C . 27426 1 28 . 1 1 5 5 ASN CA C 13 53.516 0.003 . 1 . . . . . 5 ASN CA . 27426 1 29 . 1 1 5 5 ASN CB C 13 38.724 0.023 . 1 . . . . . 5 ASN CB . 27426 1 30 . 1 1 5 5 ASN N N 15 119.219 0.014 . 1 . . . . . 5 ASN N . 27426 1 31 . 1 1 6 6 THR H H 1 8.069 0.002 . 1 . . . . . 6 THR H . 27426 1 32 . 1 1 6 6 THR HA H 1 4.378 0.000 . 1 . . . . . 6 THR HA . 27426 1 33 . 1 1 6 6 THR HB H 1 4.277 0.000 . 1 . . . . . 6 THR HB . 27426 1 34 . 1 1 6 6 THR C C 13 174.670 0.000 . 1 . . . . . 6 THR C . 27426 1 35 . 1 1 6 6 THR CA C 13 61.988 0.014 . 1 . . . . . 6 THR CA . 27426 1 36 . 1 1 6 6 THR CB C 13 69.628 0.001 . 1 . . . . . 6 THR CB . 27426 1 37 . 1 1 6 6 THR N N 15 114.087 0.020 . 1 . . . . . 6 THR N . 27426 1 38 . 1 1 7 7 THR H H 1 8.144 0.001 . 1 . . . . . 7 THR H . 27426 1 39 . 1 1 7 7 THR HB H 1 4.176 0.000 . 1 . . . . . 7 THR HB . 27426 1 40 . 1 1 7 7 THR C C 13 174.233 0.000 . 1 . . . . . 7 THR C . 27426 1 41 . 1 1 7 7 THR CA C 13 61.993 0.009 . 1 . . . . . 7 THR CA . 27426 1 42 . 1 1 7 7 THR CB C 13 69.770 0.025 . 1 . . . . . 7 THR CB . 27426 1 43 . 1 1 7 7 THR N N 15 116.765 0.054 . 1 . . . . . 7 THR N . 27426 1 44 . 1 1 8 8 LEU H H 1 8.196 0.001 . 1 . . . . . 8 LEU H . 27426 1 45 . 1 1 8 8 LEU CA C 13 53.129 0.000 . 1 . . . . . 8 LEU CA . 27426 1 46 . 1 1 8 8 LEU CB C 13 41.745 0.000 . 1 . . . . . 8 LEU CB . 27426 1 47 . 1 1 8 8 LEU N N 15 126.285 0.022 . 1 . . . . . 8 LEU N . 27426 1 48 . 1 1 9 9 PRO HA H 1 4.433 0.000 . 1 . . . . . 9 PRO HA . 27426 1 49 . 1 1 9 9 PRO HB2 H 1 1.850 0.000 . 2 . . . . . 9 PRO HB2 . 27426 1 50 . 1 1 9 9 PRO HB3 H 1 2.252 0.000 . 2 . . . . . 9 PRO HB3 . 27426 1 51 . 1 1 9 9 PRO C C 13 176.811 0.000 . 1 . . . . . 9 PRO C . 27426 1 52 . 1 1 9 9 PRO CA C 13 63.012 0.013 . 1 . . . . . 9 PRO CA . 27426 1 53 . 1 1 9 9 PRO CB C 13 31.903 0.000 . 1 . . . . . 9 PRO CB . 27426 1 54 . 1 1 10 10 ILE H H 1 8.163 0.001 . 1 . . . . . 10 ILE H . 27426 1 55 . 1 1 10 10 ILE HA H 1 4.088 0.000 . 1 . . . . . 10 ILE HA . 27426 1 56 . 1 1 10 10 ILE HB H 1 1.821 0.000 . 1 . . . . . 10 ILE HB . 27426 1 57 . 1 1 10 10 ILE C C 13 176.406 0.000 . 1 . . . . . 10 ILE C . 27426 1 58 . 1 1 10 10 ILE CA C 13 61.239 0.029 . 1 . . . . . 10 ILE CA . 27426 1 59 . 1 1 10 10 ILE CB C 13 38.677 0.008 . 1 . . . . . 10 ILE CB . 27426 1 60 . 1 1 10 10 ILE N N 15 121.143 0.011 . 1 . . . . . 10 ILE N . 27426 1 61 . 1 1 11 11 ARG H H 1 8.397 0.001 . 1 . . . . . 11 ARG H . 27426 1 62 . 1 1 11 11 ARG HA H 1 4.350 0.000 . 1 . . . . . 11 ARG HA . 27426 1 63 . 1 1 11 11 ARG HB2 H 1 1.757 0.000 . 2 . . . . . 11 ARG HB2 . 27426 1 64 . 1 1 11 11 ARG HB3 H 1 1.810 0.000 . 2 . . . . . 11 ARG HB3 . 27426 1 65 . 1 1 11 11 ARG C C 13 176.080 0.000 . 1 . . . . . 11 ARG C . 27426 1 66 . 1 1 11 11 ARG CA C 13 55.938 0.058 . 1 . . . . . 11 ARG CA . 27426 1 67 . 1 1 11 11 ARG CB C 13 30.812 0.033 . 1 . . . . . 11 ARG CB . 27426 1 68 . 1 1 11 11 ARG N N 15 125.200 0.016 . 1 . . . . . 11 ARG N . 27426 1 69 . 1 1 12 12 GLN H H 1 8.491 0.001 . 1 . . . . . 12 GLN H . 27426 1 70 . 1 1 12 12 GLN HA H 1 4.399 0.000 . 1 . . . . . 12 GLN HA . 27426 1 71 . 1 1 12 12 GLN HB2 H 1 2.103 0.000 . 2 . . . . . 12 GLN HB2 . 27426 1 72 . 1 1 12 12 GLN HB3 H 1 1.978 0.000 . 2 . . . . . 12 GLN HB3 . 27426 1 73 . 1 1 12 12 GLN C C 13 176.111 0.000 . 1 . . . . . 12 GLN C . 27426 1 74 . 1 1 12 12 GLN CA C 13 55.867 0.009 . 1 . . . . . 12 GLN CA . 27426 1 75 . 1 1 12 12 GLN CB C 13 29.548 0.031 . 1 . . . . . 12 GLN CB . 27426 1 76 . 1 1 12 12 GLN N N 15 122.418 0.010 . 1 . . . . . 12 GLN N . 27426 1 77 . 1 1 13 13 THR H H 1 8.238 0.001 . 1 . . . . . 13 THR H . 27426 1 78 . 1 1 13 13 THR HA H 1 4.310 0.000 . 1 . . . . . 13 THR HA . 27426 1 79 . 1 1 13 13 THR HB H 1 4.206 0.000 . 1 . . . . . 13 THR HB . 27426 1 80 . 1 1 13 13 THR CA C 13 61.926 0.036 . 1 . . . . . 13 THR CA . 27426 1 81 . 1 1 13 13 THR CB C 13 69.874 0.010 . 1 . . . . . 13 THR CB . 27426 1 82 . 1 1 13 13 THR N N 15 116.008 0.011 . 1 . . . . . 13 THR N . 27426 1 83 . 1 1 14 14 ALA H H 1 8.364 0.001 . 1 . . . . . 14 ALA H . 27426 1 84 . 1 1 14 14 ALA HA H 1 4.358 0.000 . 1 . . . . . 14 ALA HA . 27426 1 85 . 1 1 14 14 ALA HB1 H 1 1.401 0.000 . 1 . . . . . 14 ALA HB1 . 27426 1 86 . 1 1 14 14 ALA HB2 H 1 1.401 0.000 . 1 . . . . . 14 ALA HB2 . 27426 1 87 . 1 1 14 14 ALA HB3 H 1 1.401 0.000 . 1 . . . . . 14 ALA HB3 . 27426 1 88 . 1 1 14 14 ALA C C 13 177.719 0.000 . 1 . . . . . 14 ALA C . 27426 1 89 . 1 1 14 14 ALA CA C 13 52.565 0.028 . 1 . . . . . 14 ALA CA . 27426 1 90 . 1 1 14 14 ALA CB C 13 19.346 0.036 . 1 . . . . . 14 ALA CB . 27426 1 91 . 1 1 14 14 ALA N N 15 126.417 0.062 . 1 . . . . . 14 ALA N . 27426 1 92 . 1 1 15 15 SER H H 1 8.304 0.001 . 1 . . . . . 15 SER H . 27426 1 93 . 1 1 15 15 SER HA H 1 4.408 0.000 . 1 . . . . . 15 SER HA . 27426 1 94 . 1 1 15 15 SER HB2 H 1 3.807 0.000 . 1 . . . . . 15 SER HB2 . 27426 1 95 . 1 1 15 15 SER HB3 H 1 3.807 0.000 . 1 . . . . . 15 SER HB3 . 27426 1 96 . 1 1 15 15 SER C C 13 174.541 0.000 . 1 . . . . . 15 SER C . 27426 1 97 . 1 1 15 15 SER CA C 13 58.374 0.033 . 1 . . . . . 15 SER CA . 27426 1 98 . 1 1 15 15 SER CB C 13 63.742 0.018 . 1 . . . . . 15 SER CB . 27426 1 99 . 1 1 15 15 SER N N 15 115.426 0.014 . 1 . . . . . 15 SER N . 27426 1 100 . 1 1 16 16 ILE H H 1 8.007 0.001 . 1 . . . . . 16 ILE H . 27426 1 101 . 1 1 16 16 ILE HA H 1 4.143 0.000 . 1 . . . . . 16 ILE HA . 27426 1 102 . 1 1 16 16 ILE HB H 1 1.782 0.000 . 1 . . . . . 16 ILE HB . 27426 1 103 . 1 1 16 16 ILE C C 13 175.796 0.000 . 1 . . . . . 16 ILE C . 27426 1 104 . 1 1 16 16 ILE CA C 13 61.233 0.046 . 1 . . . . . 16 ILE CA . 27426 1 105 . 1 1 16 16 ILE CB C 13 38.703 0.010 . 1 . . . . . 16 ILE CB . 27426 1 106 . 1 1 16 16 ILE N N 15 121.840 0.024 . 1 . . . . . 16 ILE N . 27426 1 107 . 1 1 17 17 PHE H H 1 8.220 0.001 . 1 . . . . . 17 PHE H . 27426 1 108 . 1 1 17 17 PHE HA H 1 4.609 0.000 . 1 . . . . . 17 PHE HA . 27426 1 109 . 1 1 17 17 PHE HB2 H 1 2.974 0.000 . 2 . . . . . 17 PHE HB2 . 27426 1 110 . 1 1 17 17 PHE HB3 H 1 3.096 0.000 . 2 . . . . . 17 PHE HB3 . 27426 1 111 . 1 1 17 17 PHE C C 13 175.240 0.000 . 1 . . . . . 17 PHE C . 27426 1 112 . 1 1 17 17 PHE CA C 13 57.617 0.023 . 1 . . . . . 17 PHE CA . 27426 1 113 . 1 1 17 17 PHE CB C 13 39.593 0.023 . 1 . . . . . 17 PHE CB . 27426 1 114 . 1 1 17 17 PHE N N 15 124.144 0.039 . 1 . . . . . 17 PHE N . 27426 1 115 . 1 1 18 18 LYS H H 1 8.101 0.001 . 1 . . . . . 18 LYS H . 27426 1 116 . 1 1 18 18 LYS HA H 1 4.271 0.000 . 1 . . . . . 18 LYS HA . 27426 1 117 . 1 1 18 18 LYS HB2 H 1 1.632 0.000 . 2 . . . . . 18 LYS HB2 . 27426 1 118 . 1 1 18 18 LYS HB3 H 1 1.728 0.000 . 2 . . . . . 18 LYS HB3 . 27426 1 119 . 1 1 18 18 LYS C C 13 175.569 0.000 . 1 . . . . . 18 LYS C . 27426 1 120 . 1 1 18 18 LYS CA C 13 55.696 0.020 . 1 . . . . . 18 LYS CA . 27426 1 121 . 1 1 18 18 LYS CB C 13 33.208 0.045 . 1 . . . . . 18 LYS CB . 27426 1 122 . 1 1 18 18 LYS N N 15 124.134 0.033 . 1 . . . . . 18 LYS N . 27426 1 123 . 1 1 19 19 GLN H H 1 8.310 0.001 . 1 . . . . . 19 GLN H . 27426 1 124 . 1 1 19 19 GLN CA C 13 53.736 0.025 . 1 . . . . . 19 GLN CA . 27426 1 125 . 1 1 19 19 GLN CB C 13 28.764 0.000 . 1 . . . . . 19 GLN CB . 27426 1 126 . 1 1 19 19 GLN N N 15 123.214 0.037 . 1 . . . . . 19 GLN N . 27426 1 127 . 1 1 20 20 PRO HA H 1 4.447 0.000 . 1 . . . . . 20 PRO HA . 27426 1 128 . 1 1 20 20 PRO HB2 H 1 2.279 0.000 . 2 . . . . . 20 PRO HB2 . 27426 1 129 . 1 1 20 20 PRO HB3 H 1 1.880 0.000 . 2 . . . . . 20 PRO HB3 . 27426 1 130 . 1 1 20 20 PRO C C 13 176.773 0.000 . 1 . . . . . 20 PRO C . 27426 1 131 . 1 1 20 20 PRO CA C 13 63.014 0.000 . 1 . . . . . 20 PRO CA . 27426 1 132 . 1 1 20 20 PRO CB C 13 32.141 0.000 . 1 . . . . . 20 PRO CB . 27426 1 133 . 1 1 21 21 VAL H H 1 8.308 0.002 . 1 . . . . . 21 VAL H . 27426 1 134 . 1 1 21 21 VAL HA H 1 4.130 0.000 . 1 . . . . . 21 VAL HA . 27426 1 135 . 1 1 21 21 VAL HB H 1 2.056 0.000 . 1 . . . . . 21 VAL HB . 27426 1 136 . 1 1 21 21 VAL C C 13 176.447 0.000 . 1 . . . . . 21 VAL C . 27426 1 137 . 1 1 21 21 VAL CA C 13 62.386 0.005 . 1 . . . . . 21 VAL CA . 27426 1 138 . 1 1 21 21 VAL CB C 13 32.689 0.031 . 1 . . . . . 21 VAL CB . 27426 1 139 . 1 1 21 21 VAL N N 15 120.825 0.022 . 1 . . . . . 21 VAL N . 27426 1 140 . 1 1 22 22 THR H H 1 8.232 0.002 . 1 . . . . . 22 THR H . 27426 1 141 . 1 1 22 22 THR HA H 1 4.324 0.000 . 1 . . . . . 22 THR HA . 27426 1 142 . 1 1 22 22 THR HB H 1 4.134 0.000 . 1 . . . . . 22 THR HB . 27426 1 143 . 1 1 22 22 THR C C 13 174.082 0.000 . 1 . . . . . 22 THR C . 27426 1 144 . 1 1 22 22 THR CA C 13 61.742 0.011 . 1 . . . . . 22 THR CA . 27426 1 145 . 1 1 22 22 THR CB C 13 69.896 0.003 . 1 . . . . . 22 THR CB . 27426 1 146 . 1 1 22 22 THR N N 15 119.013 0.028 . 1 . . . . . 22 THR N . 27426 1 147 . 1 1 23 23 LYS H H 1 8.366 0.001 . 1 . . . . . 23 LYS H . 27426 1 148 . 1 1 23 23 LYS HA H 1 4.361 0.000 . 1 . . . . . 23 LYS HA . 27426 1 149 . 1 1 23 23 LYS HB2 H 1 1.724 0.000 . 2 . . . . . 23 LYS HB2 . 27426 1 150 . 1 1 23 23 LYS HB3 H 1 1.793 0.000 . 2 . . . . . 23 LYS HB3 . 27426 1 151 . 1 1 23 23 LYS CA C 13 56.165 0.001 . 1 . . . . . 23 LYS CA . 27426 1 152 . 1 1 23 23 LYS CB C 13 33.175 0.022 . 1 . . . . . 23 LYS CB . 27426 1 153 . 1 1 23 23 LYS N N 15 124.693 0.037 . 1 . . . . . 23 LYS N . 27426 1 154 . 1 1 24 24 VAL H H 1 8.279 0.002 . 1 . . . . . 24 VAL H . 27426 1 155 . 1 1 24 24 VAL HA H 1 4.159 0.000 . 1 . . . . . 24 VAL HA . 27426 1 156 . 1 1 24 24 VAL HB H 1 2.041 0.000 . 1 . . . . . 24 VAL HB . 27426 1 157 . 1 1 24 24 VAL C C 13 176.256 0.000 . 1 . . . . . 24 VAL C . 27426 1 158 . 1 1 24 24 VAL CA C 13 62.261 0.028 . 1 . . . . . 24 VAL CA . 27426 1 159 . 1 1 24 24 VAL CB C 13 32.747 0.046 . 1 . . . . . 24 VAL CB . 27426 1 160 . 1 1 24 24 VAL N N 15 122.535 0.069 . 1 . . . . . 24 VAL N . 27426 1 161 . 1 1 25 25 THR H H 1 8.296 0.001 . 1 . . . . . 25 THR H . 27426 1 162 . 1 1 25 25 THR HA H 1 4.116 0.000 . 1 . . . . . 25 THR HA . 27426 1 163 . 1 1 25 25 THR C C 13 173.874 0.000 . 1 . . . . . 25 THR C . 27426 1 164 . 1 1 25 25 THR CA C 13 61.603 0.009 . 1 . . . . . 25 THR CA . 27426 1 165 . 1 1 25 25 THR CB C 13 69.827 0.035 . 1 . . . . . 25 THR CB . 27426 1 166 . 1 1 25 25 THR N N 15 118.552 0.041 . 1 . . . . . 25 THR N . 27426 1 167 . 1 1 26 26 ASN H H 1 8.413 0.001 . 1 . . . . . 26 ASN H . 27426 1 168 . 1 1 26 26 ASN CA C 13 52.926 0.000 . 1 . . . . . 26 ASN CA . 27426 1 169 . 1 1 26 26 ASN CB C 13 38.965 0.000 . 1 . . . . . 26 ASN CB . 27426 1 170 . 1 1 26 26 ASN N N 15 121.469 0.014 . 1 . . . . . 26 ASN N . 27426 1 171 . 1 1 28 28 PRO HA H 1 4.439 0.000 . 1 . . . . . 28 PRO HA . 27426 1 172 . 1 1 28 28 PRO HB2 H 1 1.936 0.000 . 2 . . . . . 28 PRO HB2 . 27426 1 173 . 1 1 28 28 PRO HB3 H 1 2.289 0.000 . 2 . . . . . 28 PRO HB3 . 27426 1 174 . 1 1 28 28 PRO C C 13 177.071 0.000 . 1 . . . . . 28 PRO C . 27426 1 175 . 1 1 28 28 PRO CA C 13 63.415 0.055 . 1 . . . . . 28 PRO CA . 27426 1 176 . 1 1 28 28 PRO CB C 13 32.140 0.000 . 1 . . . . . 28 PRO CB . 27426 1 177 . 1 1 29 29 SER H H 1 8.673 0.001 . 1 . . . . . 29 SER H . 27426 1 178 . 1 1 29 29 SER CA C 13 58.477 0.017 . 1 . . . . . 29 SER CA . 27426 1 179 . 1 1 29 29 SER CB C 13 63.872 0.000 . 1 . . . . . 29 SER CB . 27426 1 180 . 1 1 29 29 SER N N 15 116.305 0.004 . 1 . . . . . 29 SER N . 27426 1 181 . 1 1 30 30 ASN HA H 1 4.701 0.000 . 1 . . . . . 30 ASN HA . 27426 1 182 . 1 1 30 30 ASN HB2 H 1 2.806 0.000 . 1 . . . . . 30 ASN HB2 . 27426 1 183 . 1 1 30 30 ASN HB3 H 1 2.806 0.000 . 1 . . . . . 30 ASN HB3 . 27426 1 184 . 1 1 30 30 ASN C C 13 175.111 0.000 . 1 . . . . . 30 ASN C . 27426 1 185 . 1 1 30 30 ASN CA C 13 53.252 0.014 . 1 . . . . . 30 ASN CA . 27426 1 186 . 1 1 30 30 ASN CB C 13 38.746 0.010 . 1 . . . . . 30 ASN CB . 27426 1 187 . 1 1 31 31 LYS H H 1 8.223 0.001 . 1 . . . . . 31 LYS H . 27426 1 188 . 1 1 31 31 LYS HA H 1 4.319 0.000 . 1 . . . . . 31 LYS HA . 27426 1 189 . 1 1 31 31 LYS HB2 H 1 1.711 0.000 . 2 . . . . . 31 LYS HB2 . 27426 1 190 . 1 1 31 31 LYS HB3 H 1 1.816 0.000 . 2 . . . . . 31 LYS HB3 . 27426 1 191 . 1 1 31 31 LYS C C 13 176.458 0.000 . 1 . . . . . 31 LYS C . 27426 1 192 . 1 1 31 31 LYS CA C 13 56.392 0.005 . 1 . . . . . 31 LYS CA . 27426 1 193 . 1 1 31 31 LYS CB C 13 32.961 0.000 . 1 . . . . . 31 LYS CB . 27426 1 194 . 1 1 31 31 LYS N N 15 121.636 0.026 . 1 . . . . . 31 LYS N . 27426 1 195 . 1 1 32 32 VAL H H 1 8.101 0.000 . 1 . . . . . 32 VAL H . 27426 1 196 . 1 1 32 32 VAL HA H 1 4.081 0.000 . 1 . . . . . 32 VAL HA . 27426 1 197 . 1 1 32 32 VAL HB H 1 2.055 0.000 . 1 . . . . . 32 VAL HB . 27426 1 198 . 1 1 32 32 VAL C C 13 176.088 0.000 . 1 . . . . . 32 VAL C . 27426 1 199 . 1 1 32 32 VAL CA C 13 62.317 0.028 . 1 . . . . . 32 VAL CA . 27426 1 200 . 1 1 32 32 VAL CB C 13 32.746 0.033 . 1 . . . . . 32 VAL CB . 27426 1 201 . 1 1 32 32 VAL N N 15 121.460 0.008 . 1 . . . . . 32 VAL N . 27426 1 202 . 1 1 33 33 LYS H H 1 8.404 0.001 . 1 . . . . . 33 LYS H . 27426 1 203 . 1 1 33 33 LYS HA H 1 4.333 0.000 . 1 . . . . . 33 LYS HA . 27426 1 204 . 1 1 33 33 LYS HB2 H 1 1.740 0.000 . 2 . . . . . 33 LYS HB2 . 27426 1 205 . 1 1 33 33 LYS HB3 H 1 1.822 0.000 . 2 . . . . . 33 LYS HB3 . 27426 1 206 . 1 1 33 33 LYS C C 13 176.296 0.000 . 1 . . . . . 33 LYS C . 27426 1 207 . 1 1 33 33 LYS CA C 13 56.305 0.037 . 1 . . . . . 33 LYS CA . 27426 1 208 . 1 1 33 33 LYS CB C 13 33.078 0.034 . 1 . . . . . 33 LYS CB . 27426 1 209 . 1 1 33 33 LYS N N 15 125.481 0.023 . 1 . . . . . 33 LYS N . 27426 1 210 . 1 1 34 34 SER H H 1 8.305 0.001 . 1 . . . . . 34 SER H . 27426 1 211 . 1 1 34 34 SER HA H 1 4.424 0.000 . 1 . . . . . 34 SER HA . 27426 1 212 . 1 1 34 34 SER HB2 H 1 3.811 0.000 . 1 . . . . . 34 SER HB2 . 27426 1 213 . 1 1 34 34 SER HB3 H 1 3.811 0.000 . 1 . . . . . 34 SER HB3 . 27426 1 214 . 1 1 34 34 SER C C 13 173.708 0.000 . 1 . . . . . 34 SER C . 27426 1 215 . 1 1 34 34 SER CA C 13 58.029 0.013 . 1 . . . . . 34 SER CA . 27426 1 216 . 1 1 34 34 SER CB C 13 63.974 0.026 . 1 . . . . . 34 SER CB . 27426 1 217 . 1 1 34 34 SER N N 15 117.647 0.028 . 1 . . . . . 34 SER N . 27426 1 218 . 1 1 35 35 ASP H H 1 8.392 0.001 . 1 . . . . . 35 ASP H . 27426 1 219 . 1 1 35 35 ASP CA C 13 52.388 0.000 . 1 . . . . . 35 ASP CA . 27426 1 220 . 1 1 35 35 ASP CB C 13 41.156 0.000 . 1 . . . . . 35 ASP CB . 27426 1 221 . 1 1 35 35 ASP N N 15 123.716 0.018 . 1 . . . . . 35 ASP N . 27426 1 222 . 1 1 36 36 PRO HA H 1 4.386 0.000 . 1 . . . . . 36 PRO HA . 27426 1 223 . 1 1 36 36 PRO HB2 H 1 2.303 0.000 . 2 . . . . . 36 PRO HB2 . 27426 1 224 . 1 1 36 36 PRO HB3 H 1 1.933 0.000 . 2 . . . . . 36 PRO HB3 . 27426 1 225 . 1 1 36 36 PRO C C 13 177.352 0.000 . 1 . . . . . 36 PRO C . 27426 1 226 . 1 1 36 36 PRO CA C 13 63.811 0.011 . 1 . . . . . 36 PRO CA . 27426 1 227 . 1 1 36 36 PRO CB C 13 32.113 0.000 . 1 . . . . . 36 PRO CB . 27426 1 228 . 1 1 37 37 GLN H H 1 8.446 0.001 . 1 . . . . . 37 GLN H . 27426 1 229 . 1 1 37 37 GLN HA H 1 4.250 0.000 . 1 . . . . . 37 GLN HA . 27426 1 230 . 1 1 37 37 GLN HB2 H 1 2.014 0.000 . 2 . . . . . 37 GLN HB2 . 27426 1 231 . 1 1 37 37 GLN HB3 H 1 2.111 0.000 . 2 . . . . . 37 GLN HB3 . 27426 1 232 . 1 1 37 37 GLN C C 13 176.304 0.000 . 1 . . . . . 37 GLN C . 27426 1 233 . 1 1 37 37 GLN CA C 13 56.277 0.027 . 1 . . . . . 37 GLN CA . 27426 1 234 . 1 1 37 37 GLN CB C 13 29.149 0.033 . 1 . . . . . 37 GLN CB . 27426 1 235 . 1 1 37 37 GLN N N 15 118.834 0.013 . 1 . . . . . 37 GLN N . 27426 1 236 . 1 1 38 38 ARG H H 1 8.136 0.001 . 1 . . . . . 38 ARG H . 27426 1 237 . 1 1 38 38 ARG HA H 1 4.247 0.000 . 1 . . . . . 38 ARG HA . 27426 1 238 . 1 1 38 38 ARG HB2 H 1 1.746 0.000 . 1 . . . . . 38 ARG HB2 . 27426 1 239 . 1 1 38 38 ARG HB3 H 1 1.746 0.000 . 1 . . . . . 38 ARG HB3 . 27426 1 240 . 1 1 38 38 ARG CA C 13 56.169 0.016 . 1 . . . . . 38 ARG CA . 27426 1 241 . 1 1 38 38 ARG CB C 13 30.507 0.013 . 1 . . . . . 38 ARG CB . 27426 1 242 . 1 1 38 38 ARG N N 15 121.144 0.028 . 1 . . . . . 38 ARG N . 27426 1 243 . 1 1 39 39 MET H H 1 8.326 0.001 . 1 . . . . . 39 MET H . 27426 1 244 . 1 1 39 39 MET HA H 1 4.417 0.000 . 1 . . . . . 39 MET HA . 27426 1 245 . 1 1 39 39 MET HB2 H 1 2.062 0.000 . 1 . . . . . 39 MET HB2 . 27426 1 246 . 1 1 39 39 MET HB3 H 1 2.062 0.000 . 1 . . . . . 39 MET HB3 . 27426 1 247 . 1 1 39 39 MET C C 13 176.184 0.000 . 1 . . . . . 39 MET C . 27426 1 248 . 1 1 39 39 MET CA C 13 55.850 0.000 . 1 . . . . . 39 MET CA . 27426 1 249 . 1 1 39 39 MET CB C 13 32.694 0.000 . 1 . . . . . 39 MET CB . 27426 1 250 . 1 1 39 39 MET N N 15 121.282 0.002 . 1 . . . . . 39 MET N . 27426 1 251 . 1 1 40 40 ASN H H 1 8.471 0.006 . 1 . . . . . 40 ASN H . 27426 1 252 . 1 1 40 40 ASN HA H 1 4.661 0.000 . 1 . . . . . 40 ASN HA . 27426 1 253 . 1 1 40 40 ASN HB2 H 1 2.745 0.000 . 2 . . . . . 40 ASN HB2 . 27426 1 254 . 1 1 40 40 ASN HB3 H 1 2.831 0.000 . 2 . . . . . 40 ASN HB3 . 27426 1 255 . 1 1 40 40 ASN C C 13 174.989 0.000 . 1 . . . . . 40 ASN C . 27426 1 256 . 1 1 40 40 ASN CA C 13 53.504 0.012 . 1 . . . . . 40 ASN CA . 27426 1 257 . 1 1 40 40 ASN CB C 13 38.717 0.025 . 1 . . . . . 40 ASN CB . 27426 1 258 . 1 1 40 40 ASN N N 15 119.060 0.063 . 1 . . . . . 40 ASN N . 27426 1 259 . 1 1 41 41 GLU H H 1 8.202 0.001 . 1 . . . . . 41 GLU H . 27426 1 260 . 1 1 41 41 GLU HA H 1 4.281 0.000 . 1 . . . . . 41 GLU HA . 27426 1 261 . 1 1 41 41 GLU HB2 H 1 1.923 0.000 . 2 . . . . . 41 GLU HB2 . 27426 1 262 . 1 1 41 41 GLU HB3 H 1 2.030 0.000 . 2 . . . . . 41 GLU HB3 . 27426 1 263 . 1 1 41 41 GLU C C 13 176.153 0.000 . 1 . . . . . 41 GLU C . 27426 1 264 . 1 1 41 41 GLU CA C 13 56.432 0.030 . 1 . . . . . 41 GLU CA . 27426 1 265 . 1 1 41 41 GLU CB C 13 30.438 0.024 . 1 . . . . . 41 GLU CB . 27426 1 266 . 1 1 41 41 GLU N N 15 120.561 0.025 . 1 . . . . . 41 GLU N . 27426 1 267 . 1 1 42 42 GLN H H 1 8.354 0.003 . 1 . . . . . 42 GLN H . 27426 1 268 . 1 1 42 42 GLN CA C 13 53.796 0.006 . 1 . . . . . 42 GLN CA . 27426 1 269 . 1 1 42 42 GLN CB C 13 28.763 0.000 . 1 . . . . . 42 GLN CB . 27426 1 270 . 1 1 42 42 GLN N N 15 122.343 0.033 . 1 . . . . . 42 GLN N . 27426 1 271 . 1 1 43 43 PRO HA H 1 4.393 0.000 . 1 . . . . . 43 PRO HA . 27426 1 272 . 1 1 43 43 PRO HB2 H 1 2.281 0.000 . 2 . . . . . 43 PRO HB2 . 27426 1 273 . 1 1 43 43 PRO HB3 H 1 1.864 0.000 . 2 . . . . . 43 PRO HB3 . 27426 1 274 . 1 1 43 43 PRO C C 13 176.882 0.000 . 1 . . . . . 43 PRO C . 27426 1 275 . 1 1 43 43 PRO CA C 13 63.259 0.003 . 1 . . . . . 43 PRO CA . 27426 1 276 . 1 1 43 43 PRO CB C 13 32.030 0.065 . 1 . . . . . 43 PRO CB . 27426 1 277 . 1 1 44 44 ARG H H 1 8.411 0.001 . 1 . . . . . 44 ARG H . 27426 1 278 . 1 1 44 44 ARG CA C 13 56.143 0.025 . 1 . . . . . 44 ARG CA . 27426 1 279 . 1 1 44 44 ARG CB C 13 30.834 0.000 . 1 . . . . . 44 ARG CB . 27426 1 280 . 1 1 44 44 ARG N N 15 121.365 0.026 . 1 . . . . . 44 ARG N . 27426 1 281 . 1 1 45 45 GLN HA H 1 4.218 0.000 . 1 . . . . . 45 GLN HA . 27426 1 282 . 1 1 45 45 GLN HB2 H 1 1.918 0.000 . 1 . . . . . 45 GLN HB2 . 27426 1 283 . 1 1 45 45 GLN HB3 H 1 1.918 0.000 . 1 . . . . . 45 GLN HB3 . 27426 1 284 . 1 1 45 45 GLN C C 13 175.567 0.000 . 1 . . . . . 45 GLN C . 27426 1 285 . 1 1 45 45 GLN CA C 13 55.823 0.008 . 1 . . . . . 45 GLN CA . 27426 1 286 . 1 1 45 45 GLN CB C 13 29.448 0.000 . 1 . . . . . 45 GLN CB . 27426 1 287 . 1 1 46 46 LEU H H 1 8.206 0.001 . 1 . . . . . 46 LEU H . 27426 1 288 . 1 1 46 46 LEU HA H 1 4.201 0.000 . 1 . . . . . 46 LEU HA . 27426 1 289 . 1 1 46 46 LEU HB2 H 1 1.242 0.000 . 2 . . . . . 46 LEU HB2 . 27426 1 290 . 1 1 46 46 LEU HB3 H 1 1.432 0.000 . 2 . . . . . 46 LEU HB3 . 27426 1 291 . 1 1 46 46 LEU C C 13 177.060 0.000 . 1 . . . . . 46 LEU C . 27426 1 292 . 1 1 46 46 LEU CA C 13 55.244 0.028 . 1 . . . . . 46 LEU CA . 27426 1 293 . 1 1 46 46 LEU CB C 13 42.249 0.013 . 1 . . . . . 46 LEU CB . 27426 1 294 . 1 1 46 46 LEU N N 15 123.167 0.033 . 1 . . . . . 46 LEU N . 27426 1 295 . 1 1 47 47 PHE H H 1 8.091 0.001 . 1 . . . . . 47 PHE H . 27426 1 296 . 1 1 47 47 PHE HA H 1 4.532 0.000 . 1 . . . . . 47 PHE HA . 27426 1 297 . 1 1 47 47 PHE HB2 H 1 3.033 0.000 . 2 . . . . . 47 PHE HB2 . 27426 1 298 . 1 1 47 47 PHE HB3 H 1 2.976 0.000 . 2 . . . . . 47 PHE HB3 . 27426 1 299 . 1 1 47 47 PHE C C 13 175.455 0.000 . 1 . . . . . 47 PHE C . 27426 1 300 . 1 1 47 47 PHE CA C 13 57.902 0.014 . 1 . . . . . 47 PHE CA . 27426 1 301 . 1 1 47 47 PHE CB C 13 39.338 0.017 . 1 . . . . . 47 PHE CB . 27426 1 302 . 1 1 47 47 PHE N N 15 119.650 0.022 . 1 . . . . . 47 PHE N . 27426 1 303 . 1 1 48 48 TRP H H 1 7.898 0.002 . 1 . . . . . 48 TRP H . 27426 1 304 . 1 1 48 48 TRP HA H 1 4.579 0.000 . 1 . . . . . 48 TRP HA . 27426 1 305 . 1 1 48 48 TRP HB2 H 1 3.215 0.000 . 1 . . . . . 48 TRP HB2 . 27426 1 306 . 1 1 48 48 TRP HB3 H 1 3.215 0.000 . 1 . . . . . 48 TRP HB3 . 27426 1 307 . 1 1 48 48 TRP C C 13 176.186 0.000 . 1 . . . . . 48 TRP C . 27426 1 308 . 1 1 48 48 TRP CA C 13 57.427 0.013 . 1 . . . . . 48 TRP CA . 27426 1 309 . 1 1 48 48 TRP CB C 13 29.545 0.036 . 1 . . . . . 48 TRP CB . 27426 1 310 . 1 1 48 48 TRP N N 15 121.737 0.019 . 1 . . . . . 48 TRP N . 27426 1 311 . 1 1 49 49 GLU H H 1 8.171 0.001 . 1 . . . . . 49 GLU H . 27426 1 312 . 1 1 49 49 GLU HA H 1 4.099 0.000 . 1 . . . . . 49 GLU HA . 27426 1 313 . 1 1 49 49 GLU HB2 H 1 1.925 0.000 . 2 . . . . . 49 GLU HB2 . 27426 1 314 . 1 1 49 49 GLU HB3 H 1 1.830 0.000 . 2 . . . . . 49 GLU HB3 . 27426 1 315 . 1 1 49 49 GLU C C 13 176.477 0.000 . 1 . . . . . 49 GLU C . 27426 1 316 . 1 1 49 49 GLU CA C 13 57.019 0.037 . 1 . . . . . 49 GLU CA . 27426 1 317 . 1 1 49 49 GLU CB C 13 30.137 0.067 . 1 . . . . . 49 GLU CB . 27426 1 318 . 1 1 49 49 GLU N N 15 122.236 0.022 . 1 . . . . . 49 GLU N . 27426 1 319 . 1 1 50 50 LYS H H 1 8.042 0.001 . 1 . . . . . 50 LYS H . 27426 1 320 . 1 1 50 50 LYS HA H 1 4.136 0.000 . 1 . . . . . 50 LYS HA . 27426 1 321 . 1 1 50 50 LYS HB2 H 1 1.752 0.000 . 1 . . . . . 50 LYS HB2 . 27426 1 322 . 1 1 50 50 LYS HB3 H 1 1.752 0.000 . 1 . . . . . 50 LYS HB3 . 27426 1 323 . 1 1 50 50 LYS CA C 13 56.958 0.013 . 1 . . . . . 50 LYS CA . 27426 1 324 . 1 1 50 50 LYS CB C 13 32.855 0.027 . 1 . . . . . 50 LYS CB . 27426 1 325 . 1 1 50 50 LYS N N 15 121.132 0.010 . 1 . . . . . 50 LYS N . 27426 1 326 . 1 1 51 51 GLU H H 1 8.341 0.001 . 1 . . . . . 51 GLU H . 27426 1 327 . 1 1 51 51 GLU HA H 1 4.175 0.000 . 1 . . . . . 51 GLU HA . 27426 1 328 . 1 1 51 51 GLU HB2 H 1 2.041 0.000 . 2 . . . . . 51 GLU HB2 . 27426 1 329 . 1 1 51 51 GLU HB3 H 1 1.933 0.000 . 2 . . . . . 51 GLU HB3 . 27426 1 330 . 1 1 51 51 GLU C C 13 176.633 0.000 . 1 . . . . . 51 GLU C . 27426 1 331 . 1 1 51 51 GLU CA C 13 56.979 0.021 . 1 . . . . . 51 GLU CA . 27426 1 332 . 1 1 51 51 GLU CB C 13 29.937 0.047 . 1 . . . . . 51 GLU CB . 27426 1 333 . 1 1 51 51 GLU N N 15 121.048 0.024 . 1 . . . . . 51 GLU N . 27426 1 334 . 1 1 52 52 ALA H H 1 8.202 0.001 . 1 . . . . . 52 ALA H . 27426 1 335 . 1 1 52 52 ALA HA H 1 4.248 0.000 . 1 . . . . . 52 ALA HA . 27426 1 336 . 1 1 52 52 ALA HB1 H 1 1.362 0.000 . 1 . . . . . 52 ALA HB1 . 27426 1 337 . 1 1 52 52 ALA HB2 H 1 1.362 0.000 . 1 . . . . . 52 ALA HB2 . 27426 1 338 . 1 1 52 52 ALA HB3 H 1 1.362 0.000 . 1 . . . . . 52 ALA HB3 . 27426 1 339 . 1 1 52 52 ALA C C 13 177.831 0.000 . 1 . . . . . 52 ALA C . 27426 1 340 . 1 1 52 52 ALA CA C 13 52.769 0.032 . 1 . . . . . 52 ALA CA . 27426 1 341 . 1 1 52 52 ALA CB C 13 19.035 0.043 . 1 . . . . . 52 ALA CB . 27426 1 342 . 1 1 52 52 ALA N N 15 124.307 0.014 . 1 . . . . . 52 ALA N . 27426 1 343 . 1 1 53 53 GLN H H 1 8.212 0.001 . 1 . . . . . 53 GLN H . 27426 1 344 . 1 1 53 53 GLN HA H 1 4.277 0.000 . 1 . . . . . 53 GLN HA . 27426 1 345 . 1 1 53 53 GLN HB2 H 1 1.984 0.000 . 2 . . . . . 53 GLN HB2 . 27426 1 346 . 1 1 53 53 GLN HB3 H 1 2.113 0.000 . 2 . . . . . 53 GLN HB3 . 27426 1 347 . 1 1 53 53 GLN C C 13 176.561 0.000 . 1 . . . . . 53 GLN C . 27426 1 348 . 1 1 53 53 GLN CA C 13 56.076 0.026 . 1 . . . . . 53 GLN CA . 27426 1 349 . 1 1 53 53 GLN CB C 13 29.444 0.033 . 1 . . . . . 53 GLN CB . 27426 1 350 . 1 1 53 53 GLN N N 15 118.862 0.019 . 1 . . . . . 53 GLN N . 27426 1 351 . 1 1 54 54 GLY H H 1 8.316 0.001 . 1 . . . . . 54 GLY H . 27426 1 352 . 1 1 54 54 GLY HA2 H 1 3.928 0.000 . 1 . . . . . 54 GLY HA2 . 27426 1 353 . 1 1 54 54 GLY HA3 H 1 3.928 0.000 . 1 . . . . . 54 GLY HA3 . 27426 1 354 . 1 1 54 54 GLY C C 13 174.139 0.000 . 1 . . . . . 54 GLY C . 27426 1 355 . 1 1 54 54 GLY CA C 13 45.373 0.010 . 1 . . . . . 54 GLY CA . 27426 1 356 . 1 1 54 54 GLY N N 15 109.459 0.011 . 1 . . . . . 54 GLY N . 27426 1 357 . 1 1 55 55 LEU H H 1 8.076 0.001 . 1 . . . . . 55 LEU H . 27426 1 358 . 1 1 55 55 LEU HA H 1 4.389 0.000 . 1 . . . . . 55 LEU HA . 27426 1 359 . 1 1 55 55 LEU HB2 H 1 1.607 0.000 . 1 . . . . . 55 LEU HB2 . 27426 1 360 . 1 1 55 55 LEU HB3 H 1 1.607 0.000 . 1 . . . . . 55 LEU HB3 . 27426 1 361 . 1 1 55 55 LEU C C 13 177.553 0.000 . 1 . . . . . 55 LEU C . 27426 1 362 . 1 1 55 55 LEU CA C 13 55.163 0.022 . 1 . . . . . 55 LEU CA . 27426 1 363 . 1 1 55 55 LEU CB C 13 42.492 0.065 . 1 . . . . . 55 LEU CB . 27426 1 364 . 1 1 55 55 LEU N N 15 121.545 0.011 . 1 . . . . . 55 LEU N . 27426 1 365 . 1 1 56 56 SER H H 1 8.427 0.002 . 1 . . . . . 56 SER H . 27426 1 366 . 1 1 56 56 SER HA H 1 4.467 0.000 . 1 . . . . . 56 SER HA . 27426 1 367 . 1 1 56 56 SER HB2 H 1 3.871 0.000 . 1 . . . . . 56 SER HB2 . 27426 1 368 . 1 1 56 56 SER HB3 H 1 3.871 0.000 . 1 . . . . . 56 SER HB3 . 27426 1 369 . 1 1 56 56 SER C C 13 174.433 0.000 . 1 . . . . . 56 SER C . 27426 1 370 . 1 1 56 56 SER CA C 13 58.087 0.012 . 1 . . . . . 56 SER CA . 27426 1 371 . 1 1 56 56 SER CB C 13 64.052 0.027 . 1 . . . . . 56 SER CB . 27426 1 372 . 1 1 56 56 SER N N 15 116.816 0.008 . 1 . . . . . 56 SER N . 27426 1 373 . 1 1 57 57 ALA H H 1 8.411 0.002 . 1 . . . . . 57 ALA H . 27426 1 374 . 1 1 57 57 ALA HA H 1 4.329 0.000 . 1 . . . . . 57 ALA HA . 27426 1 375 . 1 1 57 57 ALA HB1 H 1 1.401 0.000 . 1 . . . . . 57 ALA HB1 . 27426 1 376 . 1 1 57 57 ALA HB2 H 1 1.401 0.000 . 1 . . . . . 57 ALA HB2 . 27426 1 377 . 1 1 57 57 ALA HB3 H 1 1.401 0.000 . 1 . . . . . 57 ALA HB3 . 27426 1 378 . 1 1 57 57 ALA C C 13 177.989 0.000 . 1 . . . . . 57 ALA C . 27426 1 379 . 1 1 57 57 ALA CA C 13 52.920 0.024 . 1 . . . . . 57 ALA CA . 27426 1 380 . 1 1 57 57 ALA CB C 13 19.148 0.034 . 1 . . . . . 57 ALA CB . 27426 1 381 . 1 1 57 57 ALA N N 15 126.084 0.021 . 1 . . . . . 57 ALA N . 27426 1 382 . 1 1 58 58 SER H H 1 8.236 0.001 . 1 . . . . . 58 SER H . 27426 1 383 . 1 1 58 58 SER HA H 1 4.416 0.000 . 1 . . . . . 58 SER HA . 27426 1 384 . 1 1 58 58 SER HB2 H 1 3.845 0.000 . 1 . . . . . 58 SER HB2 . 27426 1 385 . 1 1 58 58 SER HB3 H 1 3.845 0.000 . 1 . . . . . 58 SER HB3 . 27426 1 386 . 1 1 58 58 SER C C 13 174.382 0.000 . 1 . . . . . 58 SER C . 27426 1 387 . 1 1 58 58 SER CA C 13 58.673 0.022 . 1 . . . . . 58 SER CA . 27426 1 388 . 1 1 58 58 SER CB C 13 63.796 0.028 . 1 . . . . . 58 SER CB . 27426 1 389 . 1 1 58 58 SER N N 15 114.243 0.008 . 1 . . . . . 58 SER N . 27426 1 390 . 1 1 59 59 ASP H H 1 8.254 0.002 . 1 . . . . . 59 ASP H . 27426 1 391 . 1 1 59 59 ASP HA H 1 4.626 0.000 . 1 . . . . . 59 ASP HA . 27426 1 392 . 1 1 59 59 ASP HB2 H 1 2.689 0.000 . 1 . . . . . 59 ASP HB2 . 27426 1 393 . 1 1 59 59 ASP HB3 H 1 2.689 0.000 . 1 . . . . . 59 ASP HB3 . 27426 1 394 . 1 1 59 59 ASP C C 13 176.544 0.000 . 1 . . . . . 59 ASP C . 27426 1 395 . 1 1 59 59 ASP CA C 13 54.585 0.036 . 1 . . . . . 59 ASP CA . 27426 1 396 . 1 1 59 59 ASP CB C 13 41.176 0.032 . 1 . . . . . 59 ASP CB . 27426 1 397 . 1 1 59 59 ASP N N 15 122.257 0.017 . 1 . . . . . 59 ASP N . 27426 1 398 . 1 1 60 60 VAL H H 1 8.039 0.001 . 1 . . . . . 60 VAL H . 27426 1 399 . 1 1 60 60 VAL HA H 1 4.138 0.000 . 1 . . . . . 60 VAL HA . 27426 1 400 . 1 1 60 60 VAL HB H 1 2.142 0.000 . 1 . . . . . 60 VAL HB . 27426 1 401 . 1 1 60 60 VAL C C 13 176.615 0.000 . 1 . . . . . 60 VAL C . 27426 1 402 . 1 1 60 60 VAL CA C 13 62.769 0.055 . 1 . . . . . 60 VAL CA . 27426 1 403 . 1 1 60 60 VAL CB C 13 32.476 0.024 . 1 . . . . . 60 VAL CB . 27426 1 404 . 1 1 60 60 VAL N N 15 119.720 0.039 . 1 . . . . . 60 VAL N . 27426 1 405 . 1 1 61 61 THR H H 1 8.145 0.002 . 1 . . . . . 61 THR H . 27426 1 406 . 1 1 61 61 THR HA H 1 4.232 0.000 . 1 . . . . . 61 THR HA . 27426 1 407 . 1 1 61 61 THR C C 13 174.835 0.000 . 1 . . . . . 61 THR C . 27426 1 408 . 1 1 61 61 THR CA C 13 62.666 0.019 . 1 . . . . . 61 THR CA . 27426 1 409 . 1 1 61 61 THR CB C 13 69.742 0.006 . 1 . . . . . 61 THR CB . 27426 1 410 . 1 1 61 61 THR N N 15 117.185 0.009 . 1 . . . . . 61 THR N . 27426 1 411 . 1 1 62 62 GLU H H 1 8.317 0.001 . 1 . . . . . 62 GLU H . 27426 1 412 . 1 1 62 62 GLU HA H 1 4.231 0.000 . 1 . . . . . 62 GLU HA . 27426 1 413 . 1 1 62 62 GLU HB2 H 1 2.029 0.000 . 1 . . . . . 62 GLU HB2 . 27426 1 414 . 1 1 62 62 GLU HB3 H 1 2.029 0.000 . 1 . . . . . 62 GLU HB3 . 27426 1 415 . 1 1 62 62 GLU C C 13 176.489 0.000 . 1 . . . . . 62 GLU C . 27426 1 416 . 1 1 62 62 GLU CA C 13 57.024 0.036 . 1 . . . . . 62 GLU CA . 27426 1 417 . 1 1 62 62 GLU CB C 13 30.160 0.042 . 1 . . . . . 62 GLU CB . 27426 1 418 . 1 1 62 62 GLU N N 15 122.730 0.063 . 1 . . . . . 62 GLU N . 27426 1 419 . 1 1 63 63 GLN H H 1 8.290 0.001 . 1 . . . . . 63 GLN H . 27426 1 420 . 1 1 63 63 GLN HA H 1 4.268 0.000 . 1 . . . . . 63 GLN HA . 27426 1 421 . 1 1 63 63 GLN HB2 H 1 2.064 0.000 . 2 . . . . . 63 GLN HB2 . 27426 1 422 . 1 1 63 63 GLN HB3 H 1 1.972 0.000 . 2 . . . . . 63 GLN HB3 . 27426 1 423 . 1 1 63 63 GLN C C 13 176.129 0.000 . 1 . . . . . 63 GLN C . 27426 1 424 . 1 1 63 63 GLN CA C 13 56.182 0.021 . 1 . . . . . 63 GLN CA . 27426 1 425 . 1 1 63 63 GLN CB C 13 29.228 0.047 . 1 . . . . . 63 GLN CB . 27426 1 426 . 1 1 63 63 GLN N N 15 120.909 0.048 . 1 . . . . . 63 GLN N . 27426 1 427 . 1 1 64 64 ILE H H 1 8.126 0.002 . 1 . . . . . 64 ILE H . 27426 1 428 . 1 1 64 64 ILE HA H 1 4.083 0.000 . 1 . . . . . 64 ILE HA . 27426 1 429 . 1 1 64 64 ILE HB H 1 1.847 0.000 . 1 . . . . . 64 ILE HB . 27426 1 430 . 1 1 64 64 ILE C C 13 176.480 0.000 . 1 . . . . . 64 ILE C . 27426 1 431 . 1 1 64 64 ILE CA C 13 61.688 0.013 . 1 . . . . . 64 ILE CA . 27426 1 432 . 1 1 64 64 ILE CB C 13 38.464 0.017 . 1 . . . . . 64 ILE CB . 27426 1 433 . 1 1 64 64 ILE N N 15 122.312 0.013 . 1 . . . . . 64 ILE N . 27426 1 434 . 1 1 65 65 ILE H H 1 8.215 0.001 . 1 . . . . . 65 ILE H . 27426 1 435 . 1 1 65 65 ILE HA H 1 4.086 0.000 . 1 . . . . . 65 ILE HA . 27426 1 436 . 1 1 65 65 ILE HB H 1 1.848 0.000 . 1 . . . . . 65 ILE HB . 27426 1 437 . 1 1 65 65 ILE C C 13 176.430 0.000 . 1 . . . . . 65 ILE C . 27426 1 438 . 1 1 65 65 ILE CA C 13 61.444 0.019 . 1 . . . . . 65 ILE CA . 27426 1 439 . 1 1 65 65 ILE CB C 13 38.246 0.018 . 1 . . . . . 65 ILE CB . 27426 1 440 . 1 1 65 65 ILE N N 15 124.905 0.024 . 1 . . . . . 65 ILE N . 27426 1 441 . 1 1 66 66 LYS H H 1 8.354 0.001 . 1 . . . . . 66 LYS H . 27426 1 442 . 1 1 66 66 LYS HA H 1 4.362 0.000 . 1 . . . . . 66 LYS HA . 27426 1 443 . 1 1 66 66 LYS HB2 H 1 1.741 0.000 . 2 . . . . . 66 LYS HB2 . 27426 1 444 . 1 1 66 66 LYS HB3 H 1 1.820 0.000 . 2 . . . . . 66 LYS HB3 . 27426 1 445 . 1 1 66 66 LYS C C 13 176.823 0.000 . 1 . . . . . 66 LYS C . 27426 1 446 . 1 1 66 66 LYS CA C 13 56.503 0.023 . 1 . . . . . 66 LYS CA . 27426 1 447 . 1 1 66 66 LYS CB C 13 33.011 0.035 . 1 . . . . . 66 LYS CB . 27426 1 448 . 1 1 66 66 LYS N N 15 125.255 0.037 . 1 . . . . . 66 LYS N . 27426 1 449 . 1 1 67 67 THR H H 1 8.108 0.001 . 1 . . . . . 67 THR H . 27426 1 450 . 1 1 67 67 THR HA H 1 4.470 0.000 . 1 . . . . . 67 THR HA . 27426 1 451 . 1 1 67 67 THR HB H 1 4.220 0.000 . 1 . . . . . 67 THR HB . 27426 1 452 . 1 1 67 67 THR C C 13 174.479 0.000 . 1 . . . . . 67 THR C . 27426 1 453 . 1 1 67 67 THR CA C 13 62.128 0.038 . 1 . . . . . 67 THR CA . 27426 1 454 . 1 1 67 67 THR CB C 13 69.798 0.000 . 1 . . . . . 67 THR CB . 27426 1 455 . 1 1 67 67 THR N N 15 115.295 0.030 . 1 . . . . . 67 THR N . 27426 1 456 . 1 1 68 68 MET H H 1 8.309 0.001 . 1 . . . . . 68 MET H . 27426 1 457 . 1 1 68 68 MET HA H 1 4.471 0.000 . 1 . . . . . 68 MET HA . 27426 1 458 . 1 1 68 68 MET HB2 H 1 2.066 0.000 . 1 . . . . . 68 MET HB2 . 27426 1 459 . 1 1 68 68 MET HB3 H 1 2.066 0.000 . 1 . . . . . 68 MET HB3 . 27426 1 460 . 1 1 68 68 MET C C 13 175.779 0.000 . 1 . . . . . 68 MET C . 27426 1 461 . 1 1 68 68 MET CA C 13 55.655 0.000 . 1 . . . . . 68 MET CA . 27426 1 462 . 1 1 68 68 MET CB C 13 33.027 0.000 . 1 . . . . . 68 MET CB . 27426 1 463 . 1 1 68 68 MET N N 15 122.332 0.019 . 1 . . . . . 68 MET N . 27426 1 464 . 1 1 69 69 GLU H H 1 8.291 0.001 . 1 . . . . . 69 GLU H . 27426 1 465 . 1 1 69 69 GLU HA H 1 4.297 0.000 . 1 . . . . . 69 GLU HA . 27426 1 466 . 1 1 69 69 GLU HB2 H 1 1.898 0.000 . 2 . . . . . 69 GLU HB2 . 27426 1 467 . 1 1 69 69 GLU HB3 H 1 2.004 0.000 . 2 . . . . . 69 GLU HB3 . 27426 1 468 . 1 1 69 69 GLU C C 13 175.998 0.000 . 1 . . . . . 69 GLU C . 27426 1 469 . 1 1 69 69 GLU CA C 13 56.128 0.029 . 1 . . . . . 69 GLU CA . 27426 1 470 . 1 1 69 69 GLU CB C 13 30.464 0.044 . 1 . . . . . 69 GLU CB . 27426 1 471 . 1 1 69 69 GLU N N 15 122.247 0.026 . 1 . . . . . 69 GLU N . 27426 1 472 . 1 1 70 70 LEU H H 1 8.303 0.001 . 1 . . . . . 70 LEU H . 27426 1 473 . 1 1 70 70 LEU CA C 13 53.080 0.007 . 1 . . . . . 70 LEU CA . 27426 1 474 . 1 1 70 70 LEU CB C 13 41.603 0.000 . 1 . . . . . 70 LEU CB . 27426 1 475 . 1 1 70 70 LEU N N 15 125.154 0.019 . 1 . . . . . 70 LEU N . 27426 1 476 . 1 1 71 71 PRO HA H 1 4.414 0.000 . 1 . . . . . 71 PRO HA . 27426 1 477 . 1 1 71 71 PRO HB2 H 1 2.303 0.000 . 2 . . . . . 71 PRO HB2 . 27426 1 478 . 1 1 71 71 PRO HB3 H 1 1.872 0.000 . 2 . . . . . 71 PRO HB3 . 27426 1 479 . 1 1 71 71 PRO C C 13 176.975 0.000 . 1 . . . . . 71 PRO C . 27426 1 480 . 1 1 71 71 PRO CA C 13 63.070 0.010 . 1 . . . . . 71 PRO CA . 27426 1 481 . 1 1 71 71 PRO CB C 13 32.049 0.027 . 1 . . . . . 71 PRO CB . 27426 1 482 . 1 1 72 72 LYS H H 1 8.453 0.001 . 1 . . . . . 72 LYS H . 27426 1 483 . 1 1 72 72 LYS HA H 1 4.256 0.000 . 1 . . . . . 72 LYS HA . 27426 1 484 . 1 1 72 72 LYS HB2 H 1 1.777 0.000 . 1 . . . . . 72 LYS HB2 . 27426 1 485 . 1 1 72 72 LYS HB3 H 1 1.777 0.000 . 1 . . . . . 72 LYS HB3 . 27426 1 486 . 1 1 72 72 LYS C C 13 177.437 0.000 . 1 . . . . . 72 LYS C . 27426 1 487 . 1 1 72 72 LYS CA C 13 56.590 0.015 . 1 . . . . . 72 LYS CA . 27426 1 488 . 1 1 72 72 LYS CB C 13 33.027 0.036 . 1 . . . . . 72 LYS CB . 27426 1 489 . 1 1 72 72 LYS N N 15 121.783 0.027 . 1 . . . . . 72 LYS N . 27426 1 490 . 1 1 73 73 GLY H H 1 8.412 0.001 . 1 . . . . . 73 GLY H . 27426 1 491 . 1 1 73 73 GLY HA2 H 1 3.934 0.000 . 1 . . . . . 73 GLY HA2 . 27426 1 492 . 1 1 73 73 GLY HA3 H 1 3.934 0.000 . 1 . . . . . 73 GLY HA3 . 27426 1 493 . 1 1 73 73 GLY C C 13 174.156 0.000 . 1 . . . . . 73 GLY C . 27426 1 494 . 1 1 73 73 GLY CA C 13 45.279 0.021 . 1 . . . . . 73 GLY CA . 27426 1 495 . 1 1 73 73 GLY N N 15 109.327 0.040 . 1 . . . . . 73 GLY N . 27426 1 496 . 1 1 74 74 LEU H H 1 8.113 0.002 . 1 . . . . . 74 LEU H . 27426 1 497 . 1 1 74 74 LEU HA H 1 4.358 0.000 . 1 . . . . . 74 LEU HA . 27426 1 498 . 1 1 74 74 LEU HB2 H 1 1.603 0.000 . 1 . . . . . 74 LEU HB2 . 27426 1 499 . 1 1 74 74 LEU HB3 H 1 1.603 0.000 . 1 . . . . . 74 LEU HB3 . 27426 1 500 . 1 1 74 74 LEU C C 13 177.427 0.000 . 1 . . . . . 74 LEU C . 27426 1 501 . 1 1 74 74 LEU CA C 13 55.173 0.027 . 1 . . . . . 74 LEU CA . 27426 1 502 . 1 1 74 74 LEU CB C 13 42.386 0.027 . 1 . . . . . 74 LEU CB . 27426 1 503 . 1 1 74 74 LEU N N 15 121.535 0.011 . 1 . . . . . 74 LEU N . 27426 1 504 . 1 1 75 75 GLN H H 1 8.378 0.001 . 1 . . . . . 75 GLN H . 27426 1 505 . 1 1 75 75 GLN HA H 1 4.327 0.000 . 1 . . . . . 75 GLN HA . 27426 1 506 . 1 1 75 75 GLN HB2 H 1 2.008 0.000 . 2 . . . . . 75 GLN HB2 . 27426 1 507 . 1 1 75 75 GLN HB3 H 1 2.113 0.000 . 2 . . . . . 75 GLN HB3 . 27426 1 508 . 1 1 75 75 GLN C C 13 176.401 0.000 . 1 . . . . . 75 GLN C . 27426 1 509 . 1 1 75 75 GLN CA C 13 56.001 0.019 . 1 . . . . . 75 GLN CA . 27426 1 510 . 1 1 75 75 GLN CB C 13 29.412 0.032 . 1 . . . . . 75 GLN CB . 27426 1 511 . 1 1 75 75 GLN N N 15 120.856 0.016 . 1 . . . . . 75 GLN N . 27426 1 512 . 1 1 76 76 GLY H H 1 8.410 0.001 . 1 . . . . . 76 GLY H . 27426 1 513 . 1 1 76 76 GLY HA2 H 1 3.954 0.000 . 1 . . . . . 76 GLY HA2 . 27426 1 514 . 1 1 76 76 GLY HA3 H 1 3.954 0.000 . 1 . . . . . 76 GLY HA3 . 27426 1 515 . 1 1 76 76 GLY C C 13 173.888 0.000 . 1 . . . . . 76 GLY C . 27426 1 516 . 1 1 76 76 GLY CA C 13 45.307 0.019 . 1 . . . . . 76 GLY CA . 27426 1 517 . 1 1 76 76 GLY N N 15 110.187 0.038 . 1 . . . . . 76 GLY N . 27426 1 518 . 1 1 77 77 VAL H H 1 7.956 0.001 . 1 . . . . . 77 VAL H . 27426 1 519 . 1 1 77 77 VAL HA H 1 4.222 0.000 . 1 . . . . . 77 VAL HA . 27426 1 520 . 1 1 77 77 VAL HB H 1 2.111 0.000 . 1 . . . . . 77 VAL HB . 27426 1 521 . 1 1 77 77 VAL C C 13 176.363 0.000 . 1 . . . . . 77 VAL C . 27426 1 522 . 1 1 77 77 VAL CA C 13 61.969 0.003 . 1 . . . . . 77 VAL CA . 27426 1 523 . 1 1 77 77 VAL CB C 13 32.900 0.003 . 1 . . . . . 77 VAL CB . 27426 1 524 . 1 1 77 77 VAL N N 15 118.309 0.012 . 1 . . . . . 77 VAL N . 27426 1 525 . 1 1 78 78 GLY H H 1 8.380 0.000 . 1 . . . . . 78 GLY H . 27426 1 526 . 1 1 78 78 GLY CA C 13 44.459 0.000 . 1 . . . . . 78 GLY CA . 27426 1 527 . 1 1 78 78 GLY N N 15 112.434 0.006 . 1 . . . . . 78 GLY N . 27426 1 528 . 1 1 79 79 PRO HA H 1 4.443 0.000 . 1 . . . . . 79 PRO HA . 27426 1 529 . 1 1 79 79 PRO HB2 H 1 1.984 0.000 . 2 . . . . . 79 PRO HB2 . 27426 1 530 . 1 1 79 79 PRO HB3 H 1 2.275 0.000 . 2 . . . . . 79 PRO HB3 . 27426 1 531 . 1 1 79 79 PRO C C 13 177.759 0.000 . 1 . . . . . 79 PRO C . 27426 1 532 . 1 1 79 79 PRO CA C 13 63.502 0.000 . 1 . . . . . 79 PRO CA . 27426 1 533 . 1 1 79 79 PRO CB C 13 32.082 0.039 . 1 . . . . . 79 PRO CB . 27426 1 534 . 1 1 80 80 GLY H H 1 8.590 0.001 . 1 . . . . . 80 GLY H . 27426 1 535 . 1 1 80 80 GLY HA2 H 1 3.981 0.000 . 1 . . . . . 80 GLY HA2 . 27426 1 536 . 1 1 80 80 GLY HA3 H 1 3.981 0.000 . 1 . . . . . 80 GLY HA3 . 27426 1 537 . 1 1 80 80 GLY C C 13 174.320 0.000 . 1 . . . . . 80 GLY C . 27426 1 538 . 1 1 80 80 GLY CA C 13 45.232 0.020 . 1 . . . . . 80 GLY CA . 27426 1 539 . 1 1 80 80 GLY N N 15 109.858 0.004 . 1 . . . . . 80 GLY N . 27426 1 540 . 1 1 81 81 SER H H 1 8.168 0.001 . 1 . . . . . 81 SER H . 27426 1 541 . 1 1 81 81 SER HA H 1 4.442 0.000 . 1 . . . . . 81 SER HA . 27426 1 542 . 1 1 81 81 SER HB2 H 1 3.850 0.000 . 1 . . . . . 81 SER HB2 . 27426 1 543 . 1 1 81 81 SER HB3 H 1 3.850 0.000 . 1 . . . . . 81 SER HB3 . 27426 1 544 . 1 1 81 81 SER C C 13 174.411 0.000 . 1 . . . . . 81 SER C . 27426 1 545 . 1 1 81 81 SER CA C 13 58.479 0.019 . 1 . . . . . 81 SER CA . 27426 1 546 . 1 1 81 81 SER CB C 13 63.988 0.026 . 1 . . . . . 81 SER CB . 27426 1 547 . 1 1 81 81 SER N N 15 115.416 0.014 . 1 . . . . . 81 SER N . 27426 1 548 . 1 1 82 82 ASN H H 1 8.552 0.001 . 1 . . . . . 82 ASN H . 27426 1 549 . 1 1 82 82 ASN HA H 1 4.746 0.000 . 1 . . . . . 82 ASN HA . 27426 1 550 . 1 1 82 82 ASN HB2 H 1 2.758 0.000 . 2 . . . . . 82 ASN HB2 . 27426 1 551 . 1 1 82 82 ASN HB3 H 1 2.838 0.000 . 2 . . . . . 82 ASN HB3 . 27426 1 552 . 1 1 82 82 ASN C C 13 174.888 0.000 . 1 . . . . . 82 ASN C . 27426 1 553 . 1 1 82 82 ASN CA C 13 53.370 0.033 . 1 . . . . . 82 ASN CA . 27426 1 554 . 1 1 82 82 ASN CB C 13 38.988 0.019 . 1 . . . . . 82 ASN CB . 27426 1 555 . 1 1 82 82 ASN N N 15 120.561 0.017 . 1 . . . . . 82 ASN N . 27426 1 556 . 1 1 83 83 ASP H H 1 8.253 0.001 . 1 . . . . . 83 ASP H . 27426 1 557 . 1 1 83 83 ASP HA H 1 4.574 0.000 . 1 . . . . . 83 ASP HA . 27426 1 558 . 1 1 83 83 ASP HB2 H 1 2.616 0.000 . 2 . . . . . 83 ASP HB2 . 27426 1 559 . 1 1 83 83 ASP HB3 H 1 2.728 0.000 . 2 . . . . . 83 ASP HB3 . 27426 1 560 . 1 1 83 83 ASP C C 13 176.702 0.000 . 1 . . . . . 83 ASP C . 27426 1 561 . 1 1 83 83 ASP CA C 13 54.732 0.029 . 1 . . . . . 83 ASP CA . 27426 1 562 . 1 1 83 83 ASP CB C 13 41.019 0.018 . 1 . . . . . 83 ASP CB . 27426 1 563 . 1 1 83 83 ASP N N 15 120.542 0.024 . 1 . . . . . 83 ASP N . 27426 1 564 . 1 1 84 84 GLU H H 1 8.538 0.002 . 1 . . . . . 84 GLU H . 27426 1 565 . 1 1 84 84 GLU HA H 1 4.237 0.000 . 1 . . . . . 84 GLU HA . 27426 1 566 . 1 1 84 84 GLU HB2 H 1 1.987 0.000 . 2 . . . . . 84 GLU HB2 . 27426 1 567 . 1 1 84 84 GLU HB3 H 1 2.100 0.000 . 2 . . . . . 84 GLU HB3 . 27426 1 568 . 1 1 84 84 GLU C C 13 177.392 0.000 . 1 . . . . . 84 GLU C . 27426 1 569 . 1 1 84 84 GLU CA C 13 57.549 0.022 . 1 . . . . . 84 GLU CA . 27426 1 570 . 1 1 84 84 GLU CB C 13 29.853 0.037 . 1 . . . . . 84 GLU CB . 27426 1 571 . 1 1 84 84 GLU N N 15 122.021 0.016 . 1 . . . . . 84 GLU N . 27426 1 572 . 1 1 85 85 THR H H 1 8.267 0.001 . 1 . . . . . 85 THR H . 27426 1 573 . 1 1 85 85 THR HA H 1 4.209 0.000 . 1 . . . . . 85 THR HA . 27426 1 574 . 1 1 85 85 THR C C 13 175.225 0.000 . 1 . . . . . 85 THR C . 27426 1 575 . 1 1 85 85 THR CA C 13 63.278 0.045 . 1 . . . . . 85 THR CA . 27426 1 576 . 1 1 85 85 THR CB C 13 69.471 0.008 . 1 . . . . . 85 THR CB . 27426 1 577 . 1 1 85 85 THR N N 15 114.837 0.022 . 1 . . . . . 85 THR N . 27426 1 578 . 1 1 86 86 LEU H H 1 8.012 0.001 . 1 . . . . . 86 LEU H . 27426 1 579 . 1 1 86 86 LEU HA H 1 4.314 0.000 . 1 . . . . . 86 LEU HA . 27426 1 580 . 1 1 86 86 LEU HB2 H 1 1.612 0.000 . 2 . . . . . 86 LEU HB2 . 27426 1 581 . 1 1 86 86 LEU HB3 H 1 1.687 0.000 . 2 . . . . . 86 LEU HB3 . 27426 1 582 . 1 1 86 86 LEU C C 13 177.759 0.000 . 1 . . . . . 86 LEU C . 27426 1 583 . 1 1 86 86 LEU CA C 13 55.809 0.028 . 1 . . . . . 86 LEU CA . 27426 1 584 . 1 1 86 86 LEU CB C 13 42.072 0.015 . 1 . . . . . 86 LEU CB . 27426 1 585 . 1 1 86 86 LEU N N 15 123.778 0.015 . 1 . . . . . 86 LEU N . 27426 1 586 . 1 1 87 87 LEU H H 1 8.085 0.002 . 1 . . . . . 87 LEU H . 27426 1 587 . 1 1 87 87 LEU HA H 1 4.305 0.000 . 1 . . . . . 87 LEU HA . 27426 1 588 . 1 1 87 87 LEU HB2 H 1 1.587 0.000 . 2 . . . . . 87 LEU HB2 . 27426 1 589 . 1 1 87 87 LEU HB3 H 1 1.683 0.000 . 2 . . . . . 87 LEU HB3 . 27426 1 590 . 1 1 87 87 LEU C C 13 177.963 0.000 . 1 . . . . . 87 LEU C . 27426 1 591 . 1 1 87 87 LEU CA C 13 55.728 0.000 . 1 . . . . . 87 LEU CA . 27426 1 592 . 1 1 87 87 LEU CB C 13 42.106 0.000 . 1 . . . . . 87 LEU CB . 27426 1 593 . 1 1 87 87 LEU N N 15 121.638 0.023 . 1 . . . . . 87 LEU N . 27426 1 594 . 1 1 88 88 SER H H 1 8.105 0.001 . 1 . . . . . 88 SER H . 27426 1 595 . 1 1 88 88 SER HA H 1 4.377 0.000 . 1 . . . . . 88 SER HA . 27426 1 596 . 1 1 88 88 SER HB2 H 1 3.884 0.000 . 1 . . . . . 88 SER HB2 . 27426 1 597 . 1 1 88 88 SER HB3 H 1 3.884 0.000 . 1 . . . . . 88 SER HB3 . 27426 1 598 . 1 1 88 88 SER C C 13 174.770 0.000 . 1 . . . . . 88 SER C . 27426 1 599 . 1 1 88 88 SER CA C 13 58.794 0.016 . 1 . . . . . 88 SER CA . 27426 1 600 . 1 1 88 88 SER CB C 13 63.640 0.022 . 1 . . . . . 88 SER CB . 27426 1 601 . 1 1 88 88 SER N N 15 115.548 0.031 . 1 . . . . . 88 SER N . 27426 1 602 . 1 1 89 89 ALA H H 1 8.180 0.001 . 1 . . . . . 89 ALA H . 27426 1 603 . 1 1 89 89 ALA HA H 1 4.331 0.000 . 1 . . . . . 89 ALA HA . 27426 1 604 . 1 1 89 89 ALA HB1 H 1 1.417 0.000 . 1 . . . . . 89 ALA HB1 . 27426 1 605 . 1 1 89 89 ALA HB2 H 1 1.417 0.000 . 1 . . . . . 89 ALA HB2 . 27426 1 606 . 1 1 89 89 ALA HB3 H 1 1.417 0.000 . 1 . . . . . 89 ALA HB3 . 27426 1 607 . 1 1 89 89 ALA C C 13 178.351 0.000 . 1 . . . . . 89 ALA C . 27426 1 608 . 1 1 89 89 ALA CA C 13 53.111 0.032 . 1 . . . . . 89 ALA CA . 27426 1 609 . 1 1 89 89 ALA CB C 13 19.015 0.000 . 1 . . . . . 89 ALA CB . 27426 1 610 . 1 1 89 89 ALA N N 15 125.754 0.011 . 1 . . . . . 89 ALA N . 27426 1 611 . 1 1 90 90 VAL H H 1 7.938 0.001 . 1 . . . . . 90 VAL H . 27426 1 612 . 1 1 90 90 VAL HA H 1 4.012 0.000 . 1 . . . . . 90 VAL HA . 27426 1 613 . 1 1 90 90 VAL HB H 1 2.090 0.000 . 1 . . . . . 90 VAL HB . 27426 1 614 . 1 1 90 90 VAL C C 13 176.553 0.000 . 1 . . . . . 90 VAL C . 27426 1 615 . 1 1 90 90 VAL CA C 13 62.958 0.012 . 1 . . . . . 90 VAL CA . 27426 1 616 . 1 1 90 90 VAL CB C 13 32.490 0.010 . 1 . . . . . 90 VAL CB . 27426 1 617 . 1 1 90 90 VAL N N 15 118.477 0.012 . 1 . . . . . 90 VAL N . 27426 1 618 . 1 1 91 91 ALA H H 1 8.225 0.001 . 1 . . . . . 91 ALA H . 27426 1 619 . 1 1 91 91 ALA HA H 1 4.279 0.000 . 1 . . . . . 91 ALA HA . 27426 1 620 . 1 1 91 91 ALA HB1 H 1 1.412 0.000 . 1 . . . . . 91 ALA HB1 . 27426 1 621 . 1 1 91 91 ALA HB2 H 1 1.412 0.000 . 1 . . . . . 91 ALA HB2 . 27426 1 622 . 1 1 91 91 ALA HB3 H 1 1.412 0.000 . 1 . . . . . 91 ALA HB3 . 27426 1 623 . 1 1 91 91 ALA C C 13 178.376 0.000 . 1 . . . . . 91 ALA C . 27426 1 624 . 1 1 91 91 ALA CA C 13 53.164 0.025 . 1 . . . . . 91 ALA CA . 27426 1 625 . 1 1 91 91 ALA CB C 13 18.932 0.038 . 1 . . . . . 91 ALA CB . 27426 1 626 . 1 1 91 91 ALA N N 15 126.326 0.034 . 1 . . . . . 91 ALA N . 27426 1 627 . 1 1 92 92 SER H H 1 8.175 0.001 . 1 . . . . . 92 SER H . 27426 1 628 . 1 1 92 92 SER HA H 1 4.351 0.000 . 1 . . . . . 92 SER HA . 27426 1 629 . 1 1 92 92 SER HB2 H 1 3.878 0.000 . 1 . . . . . 92 SER HB2 . 27426 1 630 . 1 1 92 92 SER HB3 H 1 3.878 0.000 . 1 . . . . . 92 SER HB3 . 27426 1 631 . 1 1 92 92 SER C C 13 174.768 0.000 . 1 . . . . . 92 SER C . 27426 1 632 . 1 1 92 92 SER CA C 13 58.855 0.007 . 1 . . . . . 92 SER CA . 27426 1 633 . 1 1 92 92 SER CB C 13 63.681 0.019 . 1 . . . . . 92 SER CB . 27426 1 634 . 1 1 92 92 SER N N 15 114.386 0.031 . 1 . . . . . 92 SER N . 27426 1 635 . 1 1 93 93 ALA H H 1 8.136 0.001 . 1 . . . . . 93 ALA H . 27426 1 636 . 1 1 93 93 ALA HA H 1 4.303 0.000 . 1 . . . . . 93 ALA HA . 27426 1 637 . 1 1 93 93 ALA HB1 H 1 1.382 0.000 . 1 . . . . . 93 ALA HB1 . 27426 1 638 . 1 1 93 93 ALA HB2 H 1 1.382 0.000 . 1 . . . . . 93 ALA HB2 . 27426 1 639 . 1 1 93 93 ALA HB3 H 1 1.382 0.000 . 1 . . . . . 93 ALA HB3 . 27426 1 640 . 1 1 93 93 ALA C C 13 177.758 0.000 . 1 . . . . . 93 ALA C . 27426 1 641 . 1 1 93 93 ALA CA C 13 52.726 0.012 . 1 . . . . . 93 ALA CA . 27426 1 642 . 1 1 93 93 ALA CB C 13 19.010 0.035 . 1 . . . . . 93 ALA CB . 27426 1 643 . 1 1 93 93 ALA N N 15 125.404 0.019 . 1 . . . . . 93 ALA N . 27426 1 644 . 1 1 94 94 LEU H H 1 7.979 0.001 . 1 . . . . . 94 LEU H . 27426 1 645 . 1 1 94 94 LEU HA H 1 4.255 0.000 . 1 . . . . . 94 LEU HA . 27426 1 646 . 1 1 94 94 LEU HB2 H 1 1.480 0.000 . 2 . . . . . 94 LEU HB2 . 27426 1 647 . 1 1 94 94 LEU HB3 H 1 1.583 0.000 . 2 . . . . . 94 LEU HB3 . 27426 1 648 . 1 1 94 94 LEU C C 13 177.349 0.000 . 1 . . . . . 94 LEU C . 27426 1 649 . 1 1 94 94 LEU CA C 13 55.407 0.043 . 1 . . . . . 94 LEU CA . 27426 1 650 . 1 1 94 94 LEU CB C 13 42.318 0.016 . 1 . . . . . 94 LEU CB . 27426 1 651 . 1 1 94 94 LEU N N 15 119.925 0.016 . 1 . . . . . 94 LEU N . 27426 1 652 . 1 1 95 95 HIS H H 1 8.314 0.003 . 1 . . . . . 95 HIS H . 27426 1 653 . 1 1 95 95 HIS HA H 1 4.753 0.000 . 1 . . . . . 95 HIS HA . 27426 1 654 . 1 1 95 95 HIS HB2 H 1 3.161 0.000 . 2 . . . . . 95 HIS HB2 . 27426 1 655 . 1 1 95 95 HIS HB3 H 1 3.262 0.000 . 2 . . . . . 95 HIS HB3 . 27426 1 656 . 1 1 95 95 HIS C C 13 174.924 0.000 . 1 . . . . . 95 HIS C . 27426 1 657 . 1 1 95 95 HIS CA C 13 55.576 0.000 . 1 . . . . . 95 HIS CA . 27426 1 658 . 1 1 95 95 HIS CB C 13 29.421 0.043 . 1 . . . . . 95 HIS CB . 27426 1 659 . 1 1 95 95 HIS N N 15 119.054 0.033 . 1 . . . . . 95 HIS N . 27426 1 660 . 1 1 96 96 THR H H 1 8.113 0.002 . 1 . . . . . 96 THR H . 27426 1 661 . 1 1 96 96 THR HA H 1 4.382 0.000 . 1 . . . . . 96 THR HA . 27426 1 662 . 1 1 96 96 THR HB H 1 4.230 0.000 . 1 . . . . . 96 THR HB . 27426 1 663 . 1 1 96 96 THR C C 13 174.501 0.000 . 1 . . . . . 96 THR C . 27426 1 664 . 1 1 96 96 THR CA C 13 61.826 0.011 . 1 . . . . . 96 THR CA . 27426 1 665 . 1 1 96 96 THR CB C 13 69.907 0.000 . 1 . . . . . 96 THR CB . 27426 1 666 . 1 1 96 96 THR N N 15 115.199 0.030 . 1 . . . . . 96 THR N . 27426 1 667 . 1 1 97 97 SER H H 1 8.400 0.001 . 1 . . . . . 97 SER H . 27426 1 668 . 1 1 97 97 SER HA H 1 4.525 0.000 . 1 . . . . . 97 SER HA . 27426 1 669 . 1 1 97 97 SER HB2 H 1 3.895 0.000 . 1 . . . . . 97 SER HB2 . 27426 1 670 . 1 1 97 97 SER HB3 H 1 3.895 0.000 . 1 . . . . . 97 SER HB3 . 27426 1 671 . 1 1 97 97 SER C C 13 174.458 0.000 . 1 . . . . . 97 SER C . 27426 1 672 . 1 1 97 97 SER CA C 13 58.313 0.020 . 1 . . . . . 97 SER CA . 27426 1 673 . 1 1 97 97 SER CB C 13 63.952 0.039 . 1 . . . . . 97 SER CB . 27426 1 674 . 1 1 97 97 SER N N 15 117.998 0.030 . 1 . . . . . 97 SER N . 27426 1 675 . 1 1 98 98 SER H H 1 8.345 0.001 . 1 . . . . . 98 SER H . 27426 1 676 . 1 1 98 98 SER HA H 1 4.479 0.000 . 1 . . . . . 98 SER HA . 27426 1 677 . 1 1 98 98 SER HB2 H 1 3.856 0.000 . 1 . . . . . 98 SER HB2 . 27426 1 678 . 1 1 98 98 SER HB3 H 1 3.856 0.000 . 1 . . . . . 98 SER HB3 . 27426 1 679 . 1 1 98 98 SER C C 13 173.674 0.000 . 1 . . . . . 98 SER C . 27426 1 680 . 1 1 98 98 SER CA C 13 58.150 0.022 . 1 . . . . . 98 SER CA . 27426 1 681 . 1 1 98 98 SER CB C 13 63.950 0.023 . 1 . . . . . 98 SER CB . 27426 1 682 . 1 1 98 98 SER N N 15 117.935 0.010 . 1 . . . . . 98 SER N . 27426 1 683 . 1 1 99 99 ALA H H 1 8.230 0.001 . 1 . . . . . 99 ALA H . 27426 1 684 . 1 1 99 99 ALA CA C 13 50.608 0.008 . 1 . . . . . 99 ALA CA . 27426 1 685 . 1 1 99 99 ALA CB C 13 18.148 0.000 . 1 . . . . . 99 ALA CB . 27426 1 686 . 1 1 99 99 ALA N N 15 127.064 0.015 . 1 . . . . . 99 ALA N . 27426 1 687 . 1 1 100 100 PRO HA H 1 4.440 0.000 . 1 . . . . . 100 PRO HA . 27426 1 688 . 1 1 100 100 PRO HB2 H 1 1.863 0.000 . 2 . . . . . 100 PRO HB2 . 27426 1 689 . 1 1 100 100 PRO HB3 H 1 2.258 0.000 . 2 . . . . . 100 PRO HB3 . 27426 1 690 . 1 1 100 100 PRO C C 13 176.969 0.000 . 1 . . . . . 100 PRO C . 27426 1 691 . 1 1 100 100 PRO CA C 13 62.969 0.021 . 1 . . . . . 100 PRO CA . 27426 1 692 . 1 1 100 100 PRO CB C 13 31.983 0.000 . 1 . . . . . 100 PRO CB . 27426 1 693 . 1 1 101 101 ILE H H 1 8.332 0.002 . 1 . . . . . 101 ILE H . 27426 1 694 . 1 1 101 101 ILE HA H 1 4.201 0.000 . 1 . . . . . 101 ILE HA . 27426 1 695 . 1 1 101 101 ILE HB H 1 1.868 0.000 . 1 . . . . . 101 ILE HB . 27426 1 696 . 1 1 101 101 ILE C C 13 176.678 0.000 . 1 . . . . . 101 ILE C . 27426 1 697 . 1 1 101 101 ILE CA C 13 61.235 0.033 . 1 . . . . . 101 ILE CA . 27426 1 698 . 1 1 101 101 ILE CB C 13 38.591 0.017 . 1 . . . . . 101 ILE CB . 27426 1 699 . 1 1 101 101 ILE N N 15 121.235 0.051 . 1 . . . . . 101 ILE N . 27426 1 700 . 1 1 102 102 THR H H 1 8.170 0.001 . 1 . . . . . 102 THR H . 27426 1 701 . 1 1 102 102 THR HA H 1 4.351 0.000 . 1 . . . . . 102 THR HA . 27426 1 702 . 1 1 102 102 THR HB H 1 4.206 0.000 . 1 . . . . . 102 THR HB . 27426 1 703 . 1 1 102 102 THR C C 13 174.991 0.000 . 1 . . . . . 102 THR C . 27426 1 704 . 1 1 102 102 THR CA C 13 61.940 0.016 . 1 . . . . . 102 THR CA . 27426 1 705 . 1 1 102 102 THR CB C 13 69.899 0.009 . 1 . . . . . 102 THR CB . 27426 1 706 . 1 1 102 102 THR N N 15 117.893 0.025 . 1 . . . . . 102 THR N . 27426 1 707 . 1 1 103 103 GLY H H 1 8.402 0.001 . 1 . . . . . 103 GLY H . 27426 1 708 . 1 1 103 103 GLY HA2 H 1 3.960 0.000 . 1 . . . . . 103 GLY HA2 . 27426 1 709 . 1 1 103 103 GLY HA3 H 1 3.960 0.000 . 1 . . . . . 103 GLY HA3 . 27426 1 710 . 1 1 103 103 GLY C C 13 173.902 0.000 . 1 . . . . . 103 GLY C . 27426 1 711 . 1 1 103 103 GLY CA C 13 45.236 0.023 . 1 . . . . . 103 GLY CA . 27426 1 712 . 1 1 103 103 GLY N N 15 111.099 0.047 . 1 . . . . . 103 GLY N . 27426 1 713 . 1 1 104 104 GLN H H 1 8.225 0.001 . 1 . . . . . 104 GLN H . 27426 1 714 . 1 1 104 104 GLN HA H 1 4.368 0.000 . 1 . . . . . 104 GLN HA . 27426 1 715 . 1 1 104 104 GLN HB2 H 1 1.959 0.000 . 2 . . . . . 104 GLN HB2 . 27426 1 716 . 1 1 104 104 GLN HB3 H 1 2.070 0.000 . 2 . . . . . 104 GLN HB3 . 27426 1 717 . 1 1 104 104 GLN C C 13 176.095 0.000 . 1 . . . . . 104 GLN C . 27426 1 718 . 1 1 104 104 GLN CA C 13 55.721 0.017 . 1 . . . . . 104 GLN CA . 27426 1 719 . 1 1 104 104 GLN CB C 13 29.597 0.040 . 1 . . . . . 104 GLN CB . 27426 1 720 . 1 1 104 104 GLN N N 15 120.031 0.017 . 1 . . . . . 104 GLN N . 27426 1 721 . 1 1 105 105 VAL H H 1 8.289 0.002 . 1 . . . . . 105 VAL H . 27426 1 722 . 1 1 105 105 VAL HA H 1 4.145 0.000 . 1 . . . . . 105 VAL HA . 27426 1 723 . 1 1 105 105 VAL HB H 1 2.070 0.000 . 1 . . . . . 105 VAL HB . 27426 1 724 . 1 1 105 105 VAL C C 13 176.211 0.000 . 1 . . . . . 105 VAL C . 27426 1 725 . 1 1 105 105 VAL CA C 13 62.309 0.013 . 1 . . . . . 105 VAL CA . 27426 1 726 . 1 1 105 105 VAL CB C 13 32.791 0.041 . 1 . . . . . 105 VAL CB . 27426 1 727 . 1 1 105 105 VAL N N 15 121.926 0.054 . 1 . . . . . 105 VAL N . 27426 1 728 . 1 1 106 106 SER H H 1 8.405 0.001 . 1 . . . . . 106 SER H . 27426 1 729 . 1 1 106 106 SER HA H 1 4.437 0.000 . 1 . . . . . 106 SER HA . 27426 1 730 . 1 1 106 106 SER HB2 H 1 3.844 0.000 . 1 . . . . . 106 SER HB2 . 27426 1 731 . 1 1 106 106 SER HB3 H 1 3.844 0.000 . 1 . . . . . 106 SER HB3 . 27426 1 732 . 1 1 106 106 SER C C 13 174.194 0.000 . 1 . . . . . 106 SER C . 27426 1 733 . 1 1 106 106 SER CA C 13 58.174 0.018 . 1 . . . . . 106 SER CA . 27426 1 734 . 1 1 106 106 SER CB C 13 63.921 0.039 . 1 . . . . . 106 SER CB . 27426 1 735 . 1 1 106 106 SER N N 15 119.737 0.028 . 1 . . . . . 106 SER N . 27426 1 736 . 1 1 107 107 ALA H H 1 8.360 0.002 . 1 . . . . . 107 ALA H . 27426 1 737 . 1 1 107 107 ALA HA H 1 4.311 0.000 . 1 . . . . . 107 ALA HA . 27426 1 738 . 1 1 107 107 ALA HB1 H 1 1.376 0.000 . 1 . . . . . 107 ALA HB1 . 27426 1 739 . 1 1 107 107 ALA HB2 H 1 1.376 0.000 . 1 . . . . . 107 ALA HB2 . 27426 1 740 . 1 1 107 107 ALA HB3 H 1 1.376 0.000 . 1 . . . . . 107 ALA HB3 . 27426 1 741 . 1 1 107 107 ALA C C 13 177.314 0.000 . 1 . . . . . 107 ALA C . 27426 1 742 . 1 1 107 107 ALA CA C 13 52.443 0.030 . 1 . . . . . 107 ALA CA . 27426 1 743 . 1 1 107 107 ALA CB C 13 19.286 0.018 . 1 . . . . . 107 ALA CB . 27426 1 744 . 1 1 107 107 ALA N N 15 126.406 0.011 . 1 . . . . . 107 ALA N . 27426 1 745 . 1 1 108 108 ALA H H 1 8.222 0.001 . 1 . . . . . 108 ALA H . 27426 1 746 . 1 1 108 108 ALA HA H 1 4.303 0.000 . 1 . . . . . 108 ALA HA . 27426 1 747 . 1 1 108 108 ALA HB1 H 1 1.356 0.000 . 1 . . . . . 108 ALA HB1 . 27426 1 748 . 1 1 108 108 ALA HB2 H 1 1.356 0.000 . 1 . . . . . 108 ALA HB2 . 27426 1 749 . 1 1 108 108 ALA HB3 H 1 1.356 0.000 . 1 . . . . . 108 ALA HB3 . 27426 1 750 . 1 1 108 108 ALA C C 13 177.740 0.000 . 1 . . . . . 108 ALA C . 27426 1 751 . 1 1 108 108 ALA CA C 13 52.441 0.015 . 1 . . . . . 108 ALA CA . 27426 1 752 . 1 1 108 108 ALA CB C 13 19.088 0.000 . 1 . . . . . 108 ALA CB . 27426 1 753 . 1 1 108 108 ALA N N 15 123.412 0.018 . 1 . . . . . 108 ALA N . 27426 1 754 . 1 1 109 109 VAL H H 1 8.025 0.001 . 1 . . . . . 109 VAL H . 27426 1 755 . 1 1 109 109 VAL HA H 1 4.064 0.000 . 1 . . . . . 109 VAL HA . 27426 1 756 . 1 1 109 109 VAL HB H 1 2.051 0.000 . 1 . . . . . 109 VAL HB . 27426 1 757 . 1 1 109 109 VAL C C 13 176.223 0.000 . 1 . . . . . 109 VAL C . 27426 1 758 . 1 1 109 109 VAL CA C 13 62.285 0.018 . 1 . . . . . 109 VAL CA . 27426 1 759 . 1 1 109 109 VAL CB C 13 32.749 0.019 . 1 . . . . . 109 VAL CB . 27426 1 760 . 1 1 109 109 VAL N N 15 119.339 0.017 . 1 . . . . . 109 VAL N . 27426 1 761 . 1 1 110 110 GLU H H 1 8.433 0.001 . 1 . . . . . 110 GLU H . 27426 1 762 . 1 1 110 110 GLU HA H 1 4.247 0.000 . 1 . . . . . 110 GLU HA . 27426 1 763 . 1 1 110 110 GLU HB2 H 1 1.923 0.000 . 2 . . . . . 110 GLU HB2 . 27426 1 764 . 1 1 110 110 GLU HB3 H 1 2.009 0.000 . 2 . . . . . 110 GLU HB3 . 27426 1 765 . 1 1 110 110 GLU C C 13 176.212 0.000 . 1 . . . . . 110 GLU C . 27426 1 766 . 1 1 110 110 GLU CA C 13 56.490 0.006 . 1 . . . . . 110 GLU CA . 27426 1 767 . 1 1 110 110 GLU CB C 13 30.260 0.050 . 1 . . . . . 110 GLU CB . 27426 1 768 . 1 1 110 110 GLU N N 15 124.676 0.023 . 1 . . . . . 110 GLU N . 27426 1 769 . 1 1 111 111 LYS H H 1 8.336 0.003 . 1 . . . . . 111 LYS H . 27426 1 770 . 1 1 111 111 LYS HA H 1 4.256 0.000 . 1 . . . . . 111 LYS HA . 27426 1 771 . 1 1 111 111 LYS HB2 H 1 1.739 0.000 . 1 . . . . . 111 LYS HB2 . 27426 1 772 . 1 1 111 111 LYS HB3 H 1 1.739 0.000 . 1 . . . . . 111 LYS HB3 . 27426 1 773 . 1 1 111 111 LYS C C 13 175.954 0.000 . 1 . . . . . 111 LYS C . 27426 1 774 . 1 1 111 111 LYS CA C 13 56.202 0.038 . 1 . . . . . 111 LYS CA . 27426 1 775 . 1 1 111 111 LYS CB C 13 32.993 0.031 . 1 . . . . . 111 LYS CB . 27426 1 776 . 1 1 111 111 LYS N N 15 122.586 0.022 . 1 . . . . . 111 LYS N . 27426 1 777 . 1 1 112 112 ASN H H 1 8.478 0.001 . 1 . . . . . 112 ASN H . 27426 1 778 . 1 1 112 112 ASN CA C 13 51.162 0.008 . 1 . . . . . 112 ASN CA . 27426 1 779 . 1 1 112 112 ASN CB C 13 38.838 0.000 . 1 . . . . . 112 ASN CB . 27426 1 780 . 1 1 112 112 ASN N N 15 120.782 0.018 . 1 . . . . . 112 ASN N . 27426 1 781 . 1 1 113 113 PRO HA H 1 4.300 0.000 . 1 . . . . . 113 PRO HA . 27426 1 782 . 1 1 113 113 PRO HB2 H 1 2.232 0.000 . 2 . . . . . 113 PRO HB2 . 27426 1 783 . 1 1 113 113 PRO HB3 H 1 1.911 0.000 . 2 . . . . . 113 PRO HB3 . 27426 1 784 . 1 1 113 113 PRO C C 13 176.632 0.000 . 1 . . . . . 113 PRO C . 27426 1 785 . 1 1 113 113 PRO CA C 13 63.436 0.010 . 1 . . . . . 113 PRO CA . 27426 1 786 . 1 1 113 113 PRO CB C 13 32.046 0.069 . 1 . . . . . 113 PRO CB . 27426 1 787 . 1 1 114 114 ALA H H 1 8.193 0.001 . 1 . . . . . 114 ALA H . 27426 1 788 . 1 1 114 114 ALA HA H 1 4.171 0.000 . 1 . . . . . 114 ALA HA . 27426 1 789 . 1 1 114 114 ALA HB1 H 1 1.247 0.000 . 1 . . . . . 114 ALA HB1 . 27426 1 790 . 1 1 114 114 ALA HB2 H 1 1.247 0.000 . 1 . . . . . 114 ALA HB2 . 27426 1 791 . 1 1 114 114 ALA HB3 H 1 1.247 0.000 . 1 . . . . . 114 ALA HB3 . 27426 1 792 . 1 1 114 114 ALA C C 13 177.956 0.000 . 1 . . . . . 114 ALA C . 27426 1 793 . 1 1 114 114 ALA CA C 13 52.667 0.018 . 1 . . . . . 114 ALA CA . 27426 1 794 . 1 1 114 114 ALA CB C 13 18.798 0.027 . 1 . . . . . 114 ALA CB . 27426 1 795 . 1 1 114 114 ALA N N 15 122.937 0.026 . 1 . . . . . 114 ALA N . 27426 1 796 . 1 1 115 115 VAL H H 1 7.795 0.001 . 1 . . . . . 115 VAL H . 27426 1 797 . 1 1 115 115 VAL HA H 1 4.023 0.000 . 1 . . . . . 115 VAL HA . 27426 1 798 . 1 1 115 115 VAL HB H 1 2.010 0.000 . 1 . . . . . 115 VAL HB . 27426 1 799 . 1 1 115 115 VAL C C 13 175.817 0.000 . 1 . . . . . 115 VAL C . 27426 1 800 . 1 1 115 115 VAL CA C 13 62.430 0.043 . 1 . . . . . 115 VAL CA . 27426 1 801 . 1 1 115 115 VAL CB C 13 32.722 0.020 . 1 . . . . . 115 VAL CB . 27426 1 802 . 1 1 115 115 VAL N N 15 117.840 0.010 . 1 . . . . . 115 VAL N . 27426 1 803 . 1 1 116 116 TRP H H 1 8.017 0.001 . 1 . . . . . 116 TRP H . 27426 1 804 . 1 1 116 116 TRP HA H 1 4.684 0.000 . 1 . . . . . 116 TRP HA . 27426 1 805 . 1 1 116 116 TRP HB2 H 1 3.194 0.000 . 2 . . . . . 116 TRP HB2 . 27426 1 806 . 1 1 116 116 TRP HB3 H 1 3.270 0.000 . 2 . . . . . 116 TRP HB3 . 27426 1 807 . 1 1 116 116 TRP C C 13 175.786 0.000 . 1 . . . . . 116 TRP C . 27426 1 808 . 1 1 116 116 TRP CA C 13 57.036 0.015 . 1 . . . . . 116 TRP CA . 27426 1 809 . 1 1 116 116 TRP CB C 13 29.445 0.030 . 1 . . . . . 116 TRP CB . 27426 1 810 . 1 1 116 116 TRP N N 15 123.747 0.015 . 1 . . . . . 116 TRP N . 27426 1 811 . 1 1 117 117 LEU H H 1 7.884 0.002 . 1 . . . . . 117 LEU H . 27426 1 812 . 1 1 117 117 LEU HA H 1 4.283 0.000 . 1 . . . . . 117 LEU HA . 27426 1 813 . 1 1 117 117 LEU HB2 H 1 1.478 0.000 . 1 . . . . . 117 LEU HB2 . 27426 1 814 . 1 1 117 117 LEU HB3 H 1 1.478 0.000 . 1 . . . . . 117 LEU HB3 . 27426 1 815 . 1 1 117 117 LEU C C 13 176.538 0.000 . 1 . . . . . 117 LEU C . 27426 1 816 . 1 1 117 117 LEU CA C 13 54.885 0.025 . 1 . . . . . 117 LEU CA . 27426 1 817 . 1 1 117 117 LEU CB C 13 42.629 0.023 . 1 . . . . . 117 LEU CB . 27426 1 818 . 1 1 117 117 LEU N N 15 123.974 0.032 . 1 . . . . . 117 LEU N . 27426 1 819 . 1 1 118 118 ASN H H 1 8.227 0.001 . 1 . . . . . 118 ASN H . 27426 1 820 . 1 1 118 118 ASN HA H 1 4.626 0.000 . 1 . . . . . 118 ASN HA . 27426 1 821 . 1 1 118 118 ASN HB2 H 1 2.668 0.000 . 2 . . . . . 118 ASN HB2 . 27426 1 822 . 1 1 118 118 ASN HB3 H 1 2.827 0.000 . 2 . . . . . 118 ASN HB3 . 27426 1 823 . 1 1 118 118 ASN C C 13 175.426 0.000 . 1 . . . . . 118 ASN C . 27426 1 824 . 1 1 118 118 ASN CA C 13 53.266 0.047 . 1 . . . . . 118 ASN CA . 27426 1 825 . 1 1 118 118 ASN CB C 13 38.652 0.011 . 1 . . . . . 118 ASN CB . 27426 1 826 . 1 1 118 118 ASN N N 15 119.540 0.037 . 1 . . . . . 118 ASN N . 27426 1 827 . 1 1 119 119 THR H H 1 8.042 0.002 . 1 . . . . . 119 THR H . 27426 1 828 . 1 1 119 119 THR HA H 1 4.377 0.000 . 1 . . . . . 119 THR HA . 27426 1 829 . 1 1 119 119 THR HB H 1 4.308 0.000 . 1 . . . . . 119 THR HB . 27426 1 830 . 1 1 119 119 THR C C 13 174.578 0.000 . 1 . . . . . 119 THR C . 27426 1 831 . 1 1 119 119 THR CA C 13 61.702 0.002 . 1 . . . . . 119 THR CA . 27426 1 832 . 1 1 119 119 THR CB C 13 69.712 0.028 . 1 . . . . . 119 THR CB . 27426 1 833 . 1 1 119 119 THR N N 15 113.875 0.013 . 1 . . . . . 119 THR N . 27426 1 834 . 1 1 120 120 SER H H 1 8.289 0.001 . 1 . . . . . 120 SER H . 27426 1 835 . 1 1 120 120 SER HA H 1 4.484 0.000 . 1 . . . . . 120 SER HA . 27426 1 836 . 1 1 120 120 SER HB2 H 1 3.871 0.000 . 1 . . . . . 120 SER HB2 . 27426 1 837 . 1 1 120 120 SER HB3 H 1 3.871 0.000 . 1 . . . . . 120 SER HB3 . 27426 1 838 . 1 1 120 120 SER C C 13 173.501 0.000 . 1 . . . . . 120 SER C . 27426 1 839 . 1 1 120 120 SER CA C 13 58.503 0.025 . 1 . . . . . 120 SER CA . 27426 1 840 . 1 1 120 120 SER CB C 13 63.913 0.005 . 1 . . . . . 120 SER CB . 27426 1 841 . 1 1 120 120 SER N N 15 118.342 0.028 . 1 . . . . . 120 SER N . 27426 1 842 . 1 1 121 121 GLN H H 1 7.996 0.001 . 1 . . . . . 121 GLN H . 27426 1 843 . 1 1 121 121 GLN CA C 13 57.436 0.006 . 1 . . . . . 121 GLN CA . 27426 1 844 . 1 1 121 121 GLN CB C 13 30.392 0.000 . 1 . . . . . 121 GLN CB . 27426 1 845 . 1 1 121 121 GLN N N 15 126.940 0.009 . 1 . . . . . 121 GLN N . 27426 1 stop_ save_