data_27436 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27436 _Entry.Title ; Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-28 _Entry.Accession_date 2018-03-28 _Entry.Last_release_date 2018-03-29 _Entry.Original_release_date 2018-03-29 _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 Naoto Iwakawa . . . . 27436 2 Yutaka Mahana . . . . 27436 3 Arina Ono . . . . 27436 4 Izuru Ohki . . . . 27436 5 Erik Walinda . . . . 27436 6 Daichi Morimoto . . . . 27436 7 Kenji Sugase . . . . 27436 8 Masahiro Shirakawa . . . . 27436 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Shirakawa group; Kyoto University' . 27436 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27436 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 27436 '15N chemical shifts' 64 27436 '1H chemical shifts' 454 27436 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 . . 2019-04-25 2018-03-28 update BMRB 'update entry citation' 27436 1 . . 2018-11-16 2018-03-28 original author 'original release' 27436 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27436 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30242623 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 59 _Citation.Page_last 62 _Citation.Year 2019 _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 Naoto Iwakawa . . . . 27436 1 2 Yutaka Mahana . . . . 27436 1 3 Arina Ono . . . . 27436 1 4 Izuru Ohki . . . . 27436 1 5 Erik Walinda . . . . 27436 1 6 Daichi Morimoto . . . . 27436 1 7 Kenji Sugase . . . . 27436 1 8 Masahiro Shirakawa . . . . 27436 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27436 _Assembly.ID 1 _Assembly.Name MBD6 _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 MBD6 1 $AtMBD6 A . yes native no no . . . 27436 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AtMBD6 _Entity.Sf_category entity _Entity.Sf_framecode AtMBD6 _Entity.Entry_ID 27436 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AtMBD6 _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 ; GPLGSDNWLPPGWRVEDKIR TSGATAGSVDKYYYEPNTGR KFRSRTEVLYYLEHGTSKRG TKKAENTY ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 73 GLY . 27436 1 2 74 PRO . 27436 1 3 75 LEU . 27436 1 4 76 GLY . 27436 1 5 77 SER . 27436 1 6 78 ASP . 27436 1 7 79 ASN . 27436 1 8 80 TRP . 27436 1 9 81 LEU . 27436 1 10 82 PRO . 27436 1 11 83 PRO . 27436 1 12 84 GLY . 27436 1 13 85 TRP . 27436 1 14 86 ARG . 27436 1 15 87 VAL . 27436 1 16 88 GLU . 27436 1 17 89 ASP . 27436 1 18 90 LYS . 27436 1 19 91 ILE . 27436 1 20 92 ARG . 27436 1 21 93 THR . 27436 1 22 94 SER . 27436 1 23 95 GLY . 27436 1 24 96 ALA . 27436 1 25 97 THR . 27436 1 26 98 ALA . 27436 1 27 99 GLY . 27436 1 28 100 SER . 27436 1 29 101 VAL . 27436 1 30 102 ASP . 27436 1 31 103 LYS . 27436 1 32 104 TYR . 27436 1 33 105 TYR . 27436 1 34 106 TYR . 27436 1 35 107 GLU . 27436 1 36 108 PRO . 27436 1 37 109 ASN . 27436 1 38 110 THR . 27436 1 39 111 GLY . 27436 1 40 112 ARG . 27436 1 41 113 LYS . 27436 1 42 114 PHE . 27436 1 43 115 ARG . 27436 1 44 116 SER . 27436 1 45 117 ARG . 27436 1 46 118 THR . 27436 1 47 119 GLU . 27436 1 48 120 VAL . 27436 1 49 121 LEU . 27436 1 50 122 TYR . 27436 1 51 123 TYR . 27436 1 52 124 LEU . 27436 1 53 125 GLU . 27436 1 54 126 HIS . 27436 1 55 127 GLY . 27436 1 56 128 THR . 27436 1 57 129 SER . 27436 1 58 130 LYS . 27436 1 59 131 ARG . 27436 1 60 132 GLY . 27436 1 61 133 THR . 27436 1 62 134 LYS . 27436 1 63 135 LYS . 27436 1 64 136 ALA . 27436 1 65 137 GLU . 27436 1 66 138 ASN . 27436 1 67 139 THR . 27436 1 68 140 TYR . 27436 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 27436 1 . PRO 2 2 27436 1 . LEU 3 3 27436 1 . GLY 4 4 27436 1 . SER 5 5 27436 1 . ASP 6 6 27436 1 . ASN 7 7 27436 1 . TRP 8 8 27436 1 . LEU 9 9 27436 1 . PRO 10 10 27436 1 . PRO 11 11 27436 1 . GLY 12 12 27436 1 . TRP 13 13 27436 1 . ARG 14 14 27436 1 . VAL 15 15 27436 1 . GLU 16 16 27436 1 . ASP 17 17 27436 1 . LYS 18 18 27436 1 . ILE 19 19 27436 1 . ARG 20 20 27436 1 . THR 21 21 27436 1 . SER 22 22 27436 1 . GLY 23 23 27436 1 . ALA 24 24 27436 1 . THR 25 25 27436 1 . ALA 26 26 27436 1 . GLY 27 27 27436 1 . SER 28 28 27436 1 . VAL 29 29 27436 1 . ASP 30 30 27436 1 . LYS 31 31 27436 1 . TYR 32 32 27436 1 . TYR 33 33 27436 1 . TYR 34 34 27436 1 . GLU 35 35 27436 1 . PRO 36 36 27436 1 . ASN 37 37 27436 1 . THR 38 38 27436 1 . GLY 39 39 27436 1 . ARG 40 40 27436 1 . LYS 41 41 27436 1 . PHE 42 42 27436 1 . ARG 43 43 27436 1 . SER 44 44 27436 1 . ARG 45 45 27436 1 . THR 46 46 27436 1 . GLU 47 47 27436 1 . VAL 48 48 27436 1 . LEU 49 49 27436 1 . TYR 50 50 27436 1 . TYR 51 51 27436 1 . LEU 52 52 27436 1 . GLU 53 53 27436 1 . HIS 54 54 27436 1 . GLY 55 55 27436 1 . THR 56 56 27436 1 . SER 57 57 27436 1 . LYS 58 58 27436 1 . ARG 59 59 27436 1 . GLY 60 60 27436 1 . THR 61 61 27436 1 . LYS 62 62 27436 1 . LYS 63 63 27436 1 . ALA 64 64 27436 1 . GLU 65 65 27436 1 . ASN 66 66 27436 1 . THR 67 67 27436 1 . TYR 68 68 27436 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 27436 _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 $AtMBD6 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 27436 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 27436 _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 $AtMBD6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6p-1 . . . 27436 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27436 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AtMBD6 '[U-100% 13C; U-100% 15N]' . . 1 $AtMBD6 . . 5 . . mM . . . . 27436 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 27436 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27436 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27436 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27436 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 27436 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27436 1 pressure 1 . atm 27436 1 temperature 293 . K 27436 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27436 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27436 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27436 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27436 _Software.ID 2 _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' . . 27436 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27436 2 stop_ save_ save_MagRO _Software.Sf_category software _Software.Sf_framecode MagRO _Software.Entry_ID 27436 _Software.ID 3 _Software.Type . _Software.Name MagRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N, Iwahara J, Koshiba S, Tomizawa T, Tochio N, G ntert P, Kigawa T, Yokoyama S' . . 27436 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27436 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27436 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27436 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27436 4 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 27436 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27436 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27436 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 27436 _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 . . . . . . . . . . . . . . . . 27436 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27436 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27436 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27436 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27436 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 27436 _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 . . . . . 27436 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27436 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27436 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 27436 _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' . . . 27436 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 3 $MagRO . . 27436 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 PRO HA H 1 4.472 0.030 . 1 . . . . . 74 PRO HA . 27436 1 2 . 1 1 2 2 PRO HB2 H 1 1.935 0.030 . 2 . . . . . 74 PRO HB2 . 27436 1 3 . 1 1 2 2 PRO HB3 H 1 2.310 0.030 . 2 . . . . . 74 PRO HB3 . 27436 1 4 . 1 1 2 2 PRO HG2 H 1 2.007 0.030 . 1 . . . . . 74 PRO HG2 . 27436 1 5 . 1 1 2 2 PRO HG3 H 1 2.007 0.030 . 1 . . . . . 74 PRO HG3 . 27436 1 6 . 1 1 2 2 PRO HD2 H 1 3.569 0.030 . 1 . . . . . 74 PRO HD2 . 27436 1 7 . 1 1 2 2 PRO HD3 H 1 3.569 0.030 . 1 . . . . . 74 PRO HD3 . 27436 1 8 . 1 1 2 2 PRO C C 13 177.062 0.300 . 1 . . . . . 74 PRO C . 27436 1 9 . 1 1 2 2 PRO CA C 13 63.111 0.300 . 1 . . . . . 74 PRO CA . 27436 1 10 . 1 1 2 2 PRO CB C 13 32.352 0.300 . 1 . . . . . 74 PRO CB . 27436 1 11 . 1 1 2 2 PRO CG C 13 26.985 0.300 . 1 . . . . . 74 PRO CG . 27436 1 12 . 1 1 2 2 PRO CD C 13 49.735 0.300 . 1 . . . . . 74 PRO CD . 27436 1 13 . 1 1 3 3 LEU H H 1 8.583 0.030 . 1 . . . . . 75 LEU H . 27436 1 14 . 1 1 3 3 LEU HA H 1 4.359 0.030 . 1 . . . . . 75 LEU HA . 27436 1 15 . 1 1 3 3 LEU HB2 H 1 1.589 0.030 . 2 . . . . . 75 LEU HB2 . 27436 1 16 . 1 1 3 3 LEU HB3 H 1 1.682 0.030 . 2 . . . . . 75 LEU HB3 . 27436 1 17 . 1 1 3 3 LEU HG H 1 1.669 0.030 . 1 . . . . . 75 LEU HG . 27436 1 18 . 1 1 3 3 LEU HD11 H 1 0.930 0.030 . 2 . . . . . 75 LEU HD1 . 27436 1 19 . 1 1 3 3 LEU HD12 H 1 0.930 0.030 . 2 . . . . . 75 LEU HD1 . 27436 1 20 . 1 1 3 3 LEU HD13 H 1 0.930 0.030 . 2 . . . . . 75 LEU HD1 . 27436 1 21 . 1 1 3 3 LEU HD21 H 1 0.886 0.030 . 2 . . . . . 75 LEU HD2 . 27436 1 22 . 1 1 3 3 LEU HD22 H 1 0.886 0.030 . 2 . . . . . 75 LEU HD2 . 27436 1 23 . 1 1 3 3 LEU HD23 H 1 0.886 0.030 . 2 . . . . . 75 LEU HD2 . 27436 1 24 . 1 1 3 3 LEU C C 13 178.067 0.300 . 1 . . . . . 75 LEU C . 27436 1 25 . 1 1 3 3 LEU CA C 13 55.416 0.300 . 1 . . . . . 75 LEU CA . 27436 1 26 . 1 1 3 3 LEU CB C 13 42.311 0.300 . 1 . . . . . 75 LEU CB . 27436 1 27 . 1 1 3 3 LEU CG C 13 27.000 0.300 . 1 . . . . . 75 LEU CG . 27436 1 28 . 1 1 3 3 LEU CD1 C 13 24.939 0.300 . 2 . . . . . 75 LEU CD1 . 27436 1 29 . 1 1 3 3 LEU CD2 C 13 23.443 0.300 . 2 . . . . . 75 LEU CD2 . 27436 1 30 . 1 1 3 3 LEU N N 15 122.393 0.300 . 1 . . . . . 75 LEU N . 27436 1 31 . 1 1 4 4 GLY H H 1 8.485 0.030 . 1 . . . . . 76 GLY H . 27436 1 32 . 1 1 4 4 GLY HA2 H 1 4.024 0.030 . 1 . . . . . 76 GLY HA2 . 27436 1 33 . 1 1 4 4 GLY HA3 H 1 4.024 0.030 . 1 . . . . . 76 GLY HA3 . 27436 1 34 . 1 1 4 4 GLY C C 13 174.571 0.300 . 1 . . . . . 76 GLY C . 27436 1 35 . 1 1 4 4 GLY CA C 13 45.364 0.300 . 1 . . . . . 76 GLY CA . 27436 1 36 . 1 1 4 4 GLY N N 15 110.187 0.300 . 1 . . . . . 76 GLY N . 27436 1 37 . 1 1 5 5 SER H H 1 8.309 0.030 . 1 . . . . . 77 SER H . 27436 1 38 . 1 1 5 5 SER HA H 1 4.451 0.030 . 1 . . . . . 77 SER HA . 27436 1 39 . 1 1 5 5 SER HB2 H 1 3.864 0.030 . 2 . . . . . 77 SER HB2 . 27436 1 40 . 1 1 5 5 SER HB3 H 1 3.926 0.030 . 2 . . . . . 77 SER HB3 . 27436 1 41 . 1 1 5 5 SER C C 13 174.591 0.300 . 1 . . . . . 77 SER C . 27436 1 42 . 1 1 5 5 SER CA C 13 58.774 0.300 . 1 . . . . . 77 SER CA . 27436 1 43 . 1 1 5 5 SER CB C 13 63.970 0.300 . 1 . . . . . 77 SER CB . 27436 1 44 . 1 1 5 5 SER N N 15 115.733 0.300 . 1 . . . . . 77 SER N . 27436 1 45 . 1 1 6 6 ASP H H 1 8.527 0.030 . 1 . . . . . 78 ASP H . 27436 1 46 . 1 1 6 6 ASP HA H 1 4.779 0.030 . 1 . . . . . 78 ASP HA . 27436 1 47 . 1 1 6 6 ASP HB2 H 1 2.556 0.030 . 2 . . . . . 78 ASP HB2 . 27436 1 48 . 1 1 6 6 ASP HB3 H 1 2.635 0.030 . 2 . . . . . 78 ASP HB3 . 27436 1 49 . 1 1 6 6 ASP C C 13 176.262 0.300 . 1 . . . . . 78 ASP C . 27436 1 50 . 1 1 6 6 ASP CA C 13 54.450 0.300 . 1 . . . . . 78 ASP CA . 27436 1 51 . 1 1 6 6 ASP CB C 13 40.964 0.300 . 1 . . . . . 78 ASP CB . 27436 1 52 . 1 1 6 6 ASP N N 15 121.391 0.300 . 1 . . . . . 78 ASP N . 27436 1 53 . 1 1 7 7 ASN H H 1 8.273 0.030 . 1 . . . . . 79 ASN H . 27436 1 54 . 1 1 7 7 ASN HA H 1 4.567 0.030 . 1 . . . . . 79 ASN HA . 27436 1 55 . 1 1 7 7 ASN HB2 H 1 2.813 0.030 . 1 . . . . . 79 ASN HB2 . 27436 1 56 . 1 1 7 7 ASN HB3 H 1 2.813 0.030 . 1 . . . . . 79 ASN HB3 . 27436 1 57 . 1 1 7 7 ASN C C 13 174.427 0.300 . 1 . . . . . 79 ASN C . 27436 1 58 . 1 1 7 7 ASN CA C 13 54.034 0.300 . 1 . . . . . 79 ASN CA . 27436 1 59 . 1 1 7 7 ASN CB C 13 38.139 0.300 . 1 . . . . . 79 ASN CB . 27436 1 60 . 1 1 7 7 ASN N N 15 119.089 0.300 . 1 . . . . . 79 ASN N . 27436 1 61 . 1 1 8 8 TRP H H 1 7.307 0.030 . 1 . . . . . 80 TRP H . 27436 1 62 . 1 1 8 8 TRP HA H 1 4.363 0.030 . 1 . . . . . 80 TRP HA . 27436 1 63 . 1 1 8 8 TRP HB2 H 1 3.002 0.030 . 2 . . . . . 80 TRP HB2 . 27436 1 64 . 1 1 8 8 TRP HB3 H 1 3.391 0.030 . 2 . . . . . 80 TRP HB3 . 27436 1 65 . 1 1 8 8 TRP HD1 H 1 7.429 0.030 . 1 . . . . . 80 TRP HD1 . 27436 1 66 . 1 1 8 8 TRP HE1 H 1 10.395 0.030 . 1 . . . . . 80 TRP HE1 . 27436 1 67 . 1 1 8 8 TRP HE3 H 1 7.116 0.030 . 1 . . . . . 80 TRP HE3 . 27436 1 68 . 1 1 8 8 TRP HZ2 H 1 7.223 0.030 . 1 . . . . . 80 TRP HZ2 . 27436 1 69 . 1 1 8 8 TRP HZ3 H 1 6.349 0.030 . 1 . . . . . 80 TRP HZ3 . 27436 1 70 . 1 1 8 8 TRP HH2 H 1 6.094 0.030 . 1 . . . . . 80 TRP HH2 . 27436 1 71 . 1 1 8 8 TRP C C 13 175.403 0.300 . 1 . . . . . 80 TRP C . 27436 1 72 . 1 1 8 8 TRP CA C 13 55.776 0.300 . 1 . . . . . 80 TRP CA . 27436 1 73 . 1 1 8 8 TRP CB C 13 29.161 0.300 . 1 . . . . . 80 TRP CB . 27436 1 74 . 1 1 8 8 TRP CD1 C 13 127.424 0.300 . 1 . . . . . 80 TRP CD1 . 27436 1 75 . 1 1 8 8 TRP CE3 C 13 120.875 0.300 . 1 . . . . . 80 TRP CE3 . 27436 1 76 . 1 1 8 8 TRP CZ2 C 13 114.134 0.300 . 1 . . . . . 80 TRP CZ2 . 27436 1 77 . 1 1 8 8 TRP CZ3 C 13 120.732 0.300 . 1 . . . . . 80 TRP CZ3 . 27436 1 78 . 1 1 8 8 TRP CH2 C 13 124.235 0.300 . 1 . . . . . 80 TRP CH2 . 27436 1 79 . 1 1 8 8 TRP N N 15 118.387 0.300 . 1 . . . . . 80 TRP N . 27436 1 80 . 1 1 8 8 TRP NE1 N 15 130.562 0.300 . 1 . . . . . 80 TRP NE1 . 27436 1 81 . 1 1 9 9 LEU H H 1 6.750 0.030 . 1 . . . . . 81 LEU H . 27436 1 82 . 1 1 9 9 LEU HA H 1 3.528 0.030 . 1 . . . . . 81 LEU HA . 27436 1 83 . 1 1 9 9 LEU HB2 H 1 1.077 0.030 . 2 . . . . . 81 LEU HB2 . 27436 1 84 . 1 1 9 9 LEU HB3 H 1 0.486 0.030 . 2 . . . . . 81 LEU HB3 . 27436 1 85 . 1 1 9 9 LEU HG H 1 0.612 0.030 . 1 . . . . . 81 LEU HG . 27436 1 86 . 1 1 9 9 LEU HD11 H 1 0.455 0.030 . 1 . . . . . 81 LEU HD1 . 27436 1 87 . 1 1 9 9 LEU HD12 H 1 0.455 0.030 . 1 . . . . . 81 LEU HD1 . 27436 1 88 . 1 1 9 9 LEU HD13 H 1 0.455 0.030 . 1 . . . . . 81 LEU HD1 . 27436 1 89 . 1 1 9 9 LEU HD21 H 1 0.312 0.030 . 1 . . . . . 81 LEU HD2 . 27436 1 90 . 1 1 9 9 LEU HD22 H 1 0.312 0.030 . 1 . . . . . 81 LEU HD2 . 27436 1 91 . 1 1 9 9 LEU HD23 H 1 0.312 0.030 . 1 . . . . . 81 LEU HD2 . 27436 1 92 . 1 1 9 9 LEU C C 13 174.097 0.300 . 1 . . . . . 81 LEU C . 27436 1 93 . 1 1 9 9 LEU CA C 13 52.612 0.300 . 1 . . . . . 81 LEU CA . 27436 1 94 . 1 1 9 9 LEU CB C 13 42.174 0.300 . 1 . . . . . 81 LEU CB . 27436 1 95 . 1 1 9 9 LEU CG C 13 26.080 0.300 . 1 . . . . . 81 LEU CG . 27436 1 96 . 1 1 9 9 LEU CD1 C 13 25.217 0.300 . 1 . . . . . 81 LEU CD1 . 27436 1 97 . 1 1 9 9 LEU CD2 C 13 25.217 0.300 . 1 . . . . . 81 LEU CD2 . 27436 1 98 . 1 1 9 9 LEU N N 15 125.310 0.300 . 1 . . . . . 81 LEU N . 27436 1 99 . 1 1 10 10 PRO HA H 1 4.577 0.030 . 1 . . . . . 82 PRO HA . 27436 1 100 . 1 1 10 10 PRO HB2 H 1 1.793 0.030 . 2 . . . . . 82 PRO HB2 . 27436 1 101 . 1 1 10 10 PRO HB3 H 1 2.503 0.030 . 2 . . . . . 82 PRO HB3 . 27436 1 102 . 1 1 10 10 PRO HG2 H 1 1.533 0.030 . 2 . . . . . 82 PRO HG2 . 27436 1 103 . 1 1 10 10 PRO HG3 H 1 1.706 0.030 . 2 . . . . . 82 PRO HG3 . 27436 1 104 . 1 1 10 10 PRO HD2 H 1 2.096 0.030 . 2 . . . . . 82 PRO HD2 . 27436 1 105 . 1 1 10 10 PRO HD3 H 1 3.372 0.030 . 2 . . . . . 82 PRO HD3 . 27436 1 106 . 1 1 10 10 PRO CA C 13 61.453 0.300 . 1 . . . . . 82 PRO CA . 27436 1 107 . 1 1 10 10 PRO CB C 13 30.005 0.300 . 1 . . . . . 82 PRO CB . 27436 1 108 . 1 1 10 10 PRO CG C 13 27.755 0.300 . 1 . . . . . 82 PRO CG . 27436 1 109 . 1 1 10 10 PRO CD C 13 49.943 0.300 . 1 . . . . . 82 PRO CD . 27436 1 110 . 1 1 11 11 PRO HA H 1 4.401 0.030 . 1 . . . . . 83 PRO HA . 27436 1 111 . 1 1 11 11 PRO HB2 H 1 1.933 0.030 . 2 . . . . . 83 PRO HB2 . 27436 1 112 . 1 1 11 11 PRO HB3 H 1 2.369 0.030 . 2 . . . . . 83 PRO HB3 . 27436 1 113 . 1 1 11 11 PRO HG2 H 1 2.144 0.030 . 2 . . . . . 83 PRO HG2 . 27436 1 114 . 1 1 11 11 PRO HG3 H 1 2.052 0.030 . 2 . . . . . 83 PRO HG3 . 27436 1 115 . 1 1 11 11 PRO HD2 H 1 3.626 0.030 . 2 . . . . . 83 PRO HD2 . 27436 1 116 . 1 1 11 11 PRO HD3 H 1 3.841 0.030 . 2 . . . . . 83 PRO HD3 . 27436 1 117 . 1 1 11 11 PRO C C 13 178.055 0.300 . 1 . . . . . 83 PRO C . 27436 1 118 . 1 1 11 11 PRO CA C 13 63.769 0.300 . 1 . . . . . 83 PRO CA . 27436 1 119 . 1 1 11 11 PRO CB C 13 31.921 0.300 . 1 . . . . . 83 PRO CB . 27436 1 120 . 1 1 11 11 PRO CG C 13 27.821 0.300 . 1 . . . . . 83 PRO CG . 27436 1 121 . 1 1 11 11 PRO CD C 13 50.505 0.300 . 1 . . . . . 83 PRO CD . 27436 1 122 . 1 1 12 12 GLY H H 1 8.857 0.030 . 1 . . . . . 84 GLY H . 27436 1 123 . 1 1 12 12 GLY HA2 H 1 3.700 0.030 . 2 . . . . . 84 GLY HA2 . 27436 1 124 . 1 1 12 12 GLY HA3 H 1 4.348 0.030 . 2 . . . . . 84 GLY HA3 . 27436 1 125 . 1 1 12 12 GLY C C 13 175.386 0.300 . 1 . . . . . 84 GLY C . 27436 1 126 . 1 1 12 12 GLY CA C 13 45.447 0.300 . 1 . . . . . 84 GLY CA . 27436 1 127 . 1 1 12 12 GLY N N 15 111.219 0.300 . 1 . . . . . 84 GLY N . 27436 1 128 . 1 1 13 13 TRP H H 1 7.650 0.030 . 1 . . . . . 85 TRP H . 27436 1 129 . 1 1 13 13 TRP HA H 1 4.588 0.030 . 1 . . . . . 85 TRP HA . 27436 1 130 . 1 1 13 13 TRP HB2 H 1 3.181 0.030 . 2 . . . . . 85 TRP HB2 . 27436 1 131 . 1 1 13 13 TRP HB3 H 1 3.122 0.030 . 2 . . . . . 85 TRP HB3 . 27436 1 132 . 1 1 13 13 TRP HD1 H 1 7.150 0.030 . 1 . . . . . 85 TRP HD1 . 27436 1 133 . 1 1 13 13 TRP HE3 H 1 7.368 0.030 . 1 . . . . . 85 TRP HE3 . 27436 1 134 . 1 1 13 13 TRP HZ2 H 1 7.628 0.030 . 1 . . . . . 85 TRP HZ2 . 27436 1 135 . 1 1 13 13 TRP HZ3 H 1 6.786 0.030 . 1 . . . . . 85 TRP HZ3 . 27436 1 136 . 1 1 13 13 TRP HH2 H 1 6.677 0.030 . 1 . . . . . 85 TRP HH2 . 27436 1 137 . 1 1 13 13 TRP C C 13 175.670 0.300 . 1 . . . . . 85 TRP C . 27436 1 138 . 1 1 13 13 TRP CA C 13 59.218 0.300 . 1 . . . . . 85 TRP CA . 27436 1 139 . 1 1 13 13 TRP CB C 13 29.381 0.300 . 1 . . . . . 85 TRP CB . 27436 1 140 . 1 1 13 13 TRP CD1 C 13 126.862 0.300 . 1 . . . . . 85 TRP CD1 . 27436 1 141 . 1 1 13 13 TRP CE3 C 13 120.052 0.300 . 1 . . . . . 85 TRP CE3 . 27436 1 142 . 1 1 13 13 TRP CZ2 C 13 114.026 0.300 . 1 . . . . . 85 TRP CZ2 . 27436 1 143 . 1 1 13 13 TRP CZ3 C 13 122.204 0.300 . 1 . . . . . 85 TRP CZ3 . 27436 1 144 . 1 1 13 13 TRP CH2 C 13 124.015 0.300 . 1 . . . . . 85 TRP CH2 . 27436 1 145 . 1 1 13 13 TRP N N 15 121.608 0.300 . 1 . . . . . 85 TRP N . 27436 1 146 . 1 1 14 14 ARG H H 1 8.454 0.030 . 1 . . . . . 86 ARG H . 27436 1 147 . 1 1 14 14 ARG HA H 1 4.919 0.030 . 1 . . . . . 86 ARG HA . 27436 1 148 . 1 1 14 14 ARG HB2 H 1 1.774 0.030 . 2 . . . . . 86 ARG HB2 . 27436 1 149 . 1 1 14 14 ARG HB3 H 1 1.888 0.030 . 2 . . . . . 86 ARG HB3 . 27436 1 150 . 1 1 14 14 ARG HG2 H 1 1.629 0.030 . 2 . . . . . 86 ARG HG2 . 27436 1 151 . 1 1 14 14 ARG HG3 H 1 1.534 0.030 . 2 . . . . . 86 ARG HG3 . 27436 1 152 . 1 1 14 14 ARG HD2 H 1 3.083 0.030 . 2 . . . . . 86 ARG HD2 . 27436 1 153 . 1 1 14 14 ARG HD3 H 1 3.181 0.030 . 2 . . . . . 86 ARG HD3 . 27436 1 154 . 1 1 14 14 ARG C C 13 174.397 0.300 . 1 . . . . . 86 ARG C . 27436 1 155 . 1 1 14 14 ARG CA C 13 54.741 0.300 . 1 . . . . . 86 ARG CA . 27436 1 156 . 1 1 14 14 ARG CB C 13 34.008 0.300 . 1 . . . . . 86 ARG CB . 27436 1 157 . 1 1 14 14 ARG CG C 13 27.966 0.300 . 1 . . . . . 86 ARG CG . 27436 1 158 . 1 1 14 14 ARG CD C 13 43.336 0.300 . 1 . . . . . 86 ARG CD . 27436 1 159 . 1 1 14 14 ARG N N 15 121.316 0.300 . 1 . . . . . 86 ARG N . 27436 1 160 . 1 1 15 15 VAL H H 1 8.625 0.030 . 1 . . . . . 87 VAL H . 27436 1 161 . 1 1 15 15 VAL HA H 1 5.110 0.030 . 1 . . . . . 87 VAL HA . 27436 1 162 . 1 1 15 15 VAL HB H 1 1.917 0.030 . 1 . . . . . 87 VAL HB . 27436 1 163 . 1 1 15 15 VAL HG11 H 1 0.790 0.030 . 2 . . . . . 87 VAL HG1 . 27436 1 164 . 1 1 15 15 VAL HG12 H 1 0.790 0.030 . 2 . . . . . 87 VAL HG1 . 27436 1 165 . 1 1 15 15 VAL HG13 H 1 0.790 0.030 . 2 . . . . . 87 VAL HG1 . 27436 1 166 . 1 1 15 15 VAL HG21 H 1 0.879 0.030 . 2 . . . . . 87 VAL HG2 . 27436 1 167 . 1 1 15 15 VAL HG22 H 1 0.879 0.030 . 2 . . . . . 87 VAL HG2 . 27436 1 168 . 1 1 15 15 VAL HG23 H 1 0.879 0.030 . 2 . . . . . 87 VAL HG2 . 27436 1 169 . 1 1 15 15 VAL C C 13 175.446 0.300 . 1 . . . . . 87 VAL C . 27436 1 170 . 1 1 15 15 VAL CA C 13 60.344 0.300 . 1 . . . . . 87 VAL CA . 27436 1 171 . 1 1 15 15 VAL CB C 13 34.231 0.300 . 1 . . . . . 87 VAL CB . 27436 1 172 . 1 1 15 15 VAL CG1 C 13 20.869 0.300 . 2 . . . . . 87 VAL CG1 . 27436 1 173 . 1 1 15 15 VAL CG2 C 13 21.829 0.300 . 2 . . . . . 87 VAL CG2 . 27436 1 174 . 1 1 15 15 VAL N N 15 122.411 0.300 . 1 . . . . . 87 VAL N . 27436 1 175 . 1 1 16 16 GLU H H 1 9.107 0.030 . 1 . . . . . 88 GLU H . 27436 1 176 . 1 1 16 16 GLU HA H 1 4.670 0.030 . 1 . . . . . 88 GLU HA . 27436 1 177 . 1 1 16 16 GLU HB2 H 1 2.121 0.030 . 2 . . . . . 88 GLU HB2 . 27436 1 178 . 1 1 16 16 GLU HB3 H 1 1.865 0.030 . 2 . . . . . 88 GLU HB3 . 27436 1 179 . 1 1 16 16 GLU HG2 H 1 2.208 0.030 . 2 . . . . . 88 GLU HG2 . 27436 1 180 . 1 1 16 16 GLU HG3 H 1 2.170 0.030 . 2 . . . . . 88 GLU HG3 . 27436 1 181 . 1 1 16 16 GLU C C 13 173.991 0.300 . 1 . . . . . 88 GLU C . 27436 1 182 . 1 1 16 16 GLU CA C 13 54.739 0.300 . 1 . . . . . 88 GLU CA . 27436 1 183 . 1 1 16 16 GLU CB C 13 34.367 0.300 . 1 . . . . . 88 GLU CB . 27436 1 184 . 1 1 16 16 GLU CG C 13 36.280 0.300 . 1 . . . . . 88 GLU CG . 27436 1 185 . 1 1 16 16 GLU N N 15 127.908 0.300 . 1 . . . . . 88 GLU N . 27436 1 186 . 1 1 17 17 ASP H H 1 8.572 0.030 . 1 . . . . . 89 ASP H . 27436 1 187 . 1 1 17 17 ASP HA H 1 4.991 0.030 . 1 . . . . . 89 ASP HA . 27436 1 188 . 1 1 17 17 ASP HB2 H 1 2.422 0.030 . 2 . . . . . 89 ASP HB2 . 27436 1 189 . 1 1 17 17 ASP HB3 H 1 2.534 0.030 . 2 . . . . . 89 ASP HB3 . 27436 1 190 . 1 1 17 17 ASP C C 13 176.172 0.300 . 1 . . . . . 89 ASP C . 27436 1 191 . 1 1 17 17 ASP CA C 13 53.723 0.300 . 1 . . . . . 89 ASP CA . 27436 1 192 . 1 1 17 17 ASP CB C 13 41.743 0.300 . 1 . . . . . 89 ASP CB . 27436 1 193 . 1 1 17 17 ASP N N 15 124.685 0.300 . 1 . . . . . 89 ASP N . 27436 1 194 . 1 1 18 18 LYS H H 1 8.791 0.030 . 1 . . . . . 90 LYS H . 27436 1 195 . 1 1 18 18 LYS HA H 1 4.470 0.030 . 1 . . . . . 90 LYS HA . 27436 1 196 . 1 1 18 18 LYS HB2 H 1 1.604 0.030 . 2 . . . . . 90 LYS HB2 . 27436 1 197 . 1 1 18 18 LYS HB3 H 1 1.782 0.030 . 2 . . . . . 90 LYS HB3 . 27436 1 198 . 1 1 18 18 LYS HG2 H 1 1.209 0.030 . 2 . . . . . 90 LYS HG2 . 27436 1 199 . 1 1 18 18 LYS HG3 H 1 1.252 0.030 . 2 . . . . . 90 LYS HG3 . 27436 1 200 . 1 1 18 18 LYS HD2 H 1 1.569 0.030 . 1 . . . . . 90 LYS HD2 . 27436 1 201 . 1 1 18 18 LYS HD3 H 1 1.569 0.030 . 1 . . . . . 90 LYS HD3 . 27436 1 202 . 1 1 18 18 LYS HE2 H 1 2.840 0.030 . 1 . . . . . 90 LYS HE2 . 27436 1 203 . 1 1 18 18 LYS HE3 H 1 2.840 0.030 . 1 . . . . . 90 LYS HE3 . 27436 1 204 . 1 1 18 18 LYS C C 13 175.812 0.300 . 1 . . . . . 90 LYS C . 27436 1 205 . 1 1 18 18 LYS CA C 13 55.560 0.300 . 1 . . . . . 90 LYS CA . 27436 1 206 . 1 1 18 18 LYS CB C 13 33.946 0.300 . 1 . . . . . 90 LYS CB . 27436 1 207 . 1 1 18 18 LYS CG C 13 24.682 0.300 . 1 . . . . . 90 LYS CG . 27436 1 208 . 1 1 18 18 LYS CD C 13 29.020 0.300 . 1 . . . . . 90 LYS CD . 27436 1 209 . 1 1 18 18 LYS CE C 13 42.050 0.300 . 1 . . . . . 90 LYS CE . 27436 1 210 . 1 1 18 18 LYS N N 15 123.373 0.300 . 1 . . . . . 90 LYS N . 27436 1 211 . 1 1 19 19 ILE H H 1 8.489 0.030 . 1 . . . . . 91 ILE H . 27436 1 212 . 1 1 19 19 ILE HA H 1 4.232 0.030 . 1 . . . . . 91 ILE HA . 27436 1 213 . 1 1 19 19 ILE HB H 1 1.788 0.030 . 1 . . . . . 91 ILE HB . 27436 1 214 . 1 1 19 19 ILE HG12 H 1 1.512 0.030 . 2 . . . . . 91 ILE HG12 . 27436 1 215 . 1 1 19 19 ILE HG13 H 1 1.152 0.030 . 2 . . . . . 91 ILE HG13 . 27436 1 216 . 1 1 19 19 ILE HG21 H 1 0.857 0.030 . 1 . . . . . 91 ILE HG2 . 27436 1 217 . 1 1 19 19 ILE HG22 H 1 0.857 0.030 . 1 . . . . . 91 ILE HG2 . 27436 1 218 . 1 1 19 19 ILE HG23 H 1 0.857 0.030 . 1 . . . . . 91 ILE HG2 . 27436 1 219 . 1 1 19 19 ILE HD11 H 1 0.842 0.030 . 1 . . . . . 91 ILE HD1 . 27436 1 220 . 1 1 19 19 ILE HD12 H 1 0.842 0.030 . 1 . . . . . 91 ILE HD1 . 27436 1 221 . 1 1 19 19 ILE HD13 H 1 0.842 0.030 . 1 . . . . . 91 ILE HD1 . 27436 1 222 . 1 1 19 19 ILE C C 13 176.427 0.300 . 1 . . . . . 91 ILE C . 27436 1 223 . 1 1 19 19 ILE CA C 13 61.313 0.300 . 1 . . . . . 91 ILE CA . 27436 1 224 . 1 1 19 19 ILE CB C 13 38.579 0.300 . 1 . . . . . 91 ILE CB . 27436 1 225 . 1 1 19 19 ILE CG1 C 13 28.089 0.300 . 1 . . . . . 91 ILE CG1 . 27436 1 226 . 1 1 19 19 ILE CG2 C 13 17.440 0.300 . 1 . . . . . 91 ILE CG2 . 27436 1 227 . 1 1 19 19 ILE CD1 C 13 12.939 0.300 . 1 . . . . . 91 ILE CD1 . 27436 1 228 . 1 1 19 19 ILE N N 15 125.011 0.300 . 1 . . . . . 91 ILE N . 27436 1 229 . 1 1 20 20 ARG H H 1 8.766 0.030 . 1 . . . . . 92 ARG H . 27436 1 230 . 1 1 20 20 ARG HA H 1 4.492 0.030 . 1 . . . . . 92 ARG HA . 27436 1 231 . 1 1 20 20 ARG HB2 H 1 1.858 0.030 . 1 . . . . . 92 ARG HB2 . 27436 1 232 . 1 1 20 20 ARG HB3 H 1 1.858 0.030 . 1 . . . . . 92 ARG HB3 . 27436 1 233 . 1 1 20 20 ARG HG2 H 1 1.659 0.030 . 1 . . . . . 92 ARG HG2 . 27436 1 234 . 1 1 20 20 ARG HG3 H 1 1.659 0.030 . 1 . . . . . 92 ARG HG3 . 27436 1 235 . 1 1 20 20 ARG HD2 H 1 3.162 0.030 . 1 . . . . . 92 ARG HD2 . 27436 1 236 . 1 1 20 20 ARG HD3 H 1 3.162 0.030 . 1 . . . . . 92 ARG HD3 . 27436 1 237 . 1 1 20 20 ARG C C 13 177.395 0.300 . 1 . . . . . 92 ARG C . 27436 1 238 . 1 1 20 20 ARG CA C 13 56.199 0.300 . 1 . . . . . 92 ARG CA . 27436 1 239 . 1 1 20 20 ARG CB C 13 30.811 0.300 . 1 . . . . . 92 ARG CB . 27436 1 240 . 1 1 20 20 ARG CG C 13 27.297 0.300 . 1 . . . . . 92 ARG CG . 27436 1 241 . 1 1 20 20 ARG CD C 13 43.335 0.300 . 1 . . . . . 92 ARG CD . 27436 1 242 . 1 1 20 20 ARG N N 15 127.182 0.300 . 1 . . . . . 92 ARG N . 27436 1 243 . 1 1 21 21 THR H H 1 8.600 0.030 . 1 . . . . . 93 THR H . 27436 1 244 . 1 1 21 21 THR HA H 1 4.436 0.030 . 1 . . . . . 93 THR HA . 27436 1 245 . 1 1 21 21 THR HB H 1 4.377 0.030 . 1 . . . . . 93 THR HB . 27436 1 246 . 1 1 21 21 THR HG21 H 1 1.206 0.030 . 1 . . . . . 93 THR HG2 . 27436 1 247 . 1 1 21 21 THR HG22 H 1 1.206 0.030 . 1 . . . . . 93 THR HG2 . 27436 1 248 . 1 1 21 21 THR HG23 H 1 1.206 0.030 . 1 . . . . . 93 THR HG2 . 27436 1 249 . 1 1 21 21 THR C C 13 174.425 0.300 . 1 . . . . . 93 THR C . 27436 1 250 . 1 1 21 21 THR CA C 13 61.974 0.300 . 1 . . . . . 93 THR CA . 27436 1 251 . 1 1 21 21 THR CB C 13 69.769 0.300 . 1 . . . . . 93 THR CB . 27436 1 252 . 1 1 21 21 THR CG2 C 13 21.709 0.300 . 1 . . . . . 93 THR CG2 . 27436 1 253 . 1 1 21 21 THR N N 15 115.829 0.300 . 1 . . . . . 93 THR N . 27436 1 254 . 1 1 22 22 SER H H 1 8.056 0.030 . 1 . . . . . 94 SER H . 27436 1 255 . 1 1 22 22 SER HA H 1 4.623 0.030 . 1 . . . . . 94 SER HA . 27436 1 256 . 1 1 22 22 SER HB2 H 1 3.860 0.030 . 2 . . . . . 94 SER HB2 . 27436 1 257 . 1 1 22 22 SER HB3 H 1 3.892 0.030 . 2 . . . . . 94 SER HB3 . 27436 1 258 . 1 1 22 22 SER C C 13 174.497 0.300 . 1 . . . . . 94 SER C . 27436 1 259 . 1 1 22 22 SER CA C 13 57.999 0.300 . 1 . . . . . 94 SER CA . 27436 1 260 . 1 1 22 22 SER CB C 13 64.654 0.300 . 1 . . . . . 94 SER CB . 27436 1 261 . 1 1 22 22 SER N N 15 116.293 0.300 . 1 . . . . . 94 SER N . 27436 1 262 . 1 1 23 23 GLY H H 1 8.594 0.030 . 1 . . . . . 95 GLY H . 27436 1 263 . 1 1 23 23 GLY HA2 H 1 3.913 0.030 . 2 . . . . . 95 GLY HA2 . 27436 1 264 . 1 1 23 23 GLY HA3 H 1 4.170 0.030 . 2 . . . . . 95 GLY HA3 . 27436 1 265 . 1 1 23 23 GLY C C 13 174.594 0.300 . 1 . . . . . 95 GLY C . 27436 1 266 . 1 1 23 23 GLY CA C 13 45.156 0.300 . 1 . . . . . 95 GLY CA . 27436 1 267 . 1 1 23 23 GLY N N 15 109.938 0.300 . 1 . . . . . 95 GLY N . 27436 1 268 . 1 1 24 24 ALA H H 1 8.475 0.030 . 1 . . . . . 96 ALA H . 27436 1 269 . 1 1 24 24 ALA HA H 1 4.298 0.030 . 1 . . . . . 96 ALA HA . 27436 1 270 . 1 1 24 24 ALA HB1 H 1 1.453 0.030 . 1 . . . . . 96 ALA HB . 27436 1 271 . 1 1 24 24 ALA HB2 H 1 1.453 0.030 . 1 . . . . . 96 ALA HB . 27436 1 272 . 1 1 24 24 ALA HB3 H 1 1.453 0.030 . 1 . . . . . 96 ALA HB . 27436 1 273 . 1 1 24 24 ALA C C 13 178.623 0.300 . 1 . . . . . 96 ALA C . 27436 1 274 . 1 1 24 24 ALA CA C 13 53.608 0.300 . 1 . . . . . 96 ALA CA . 27436 1 275 . 1 1 24 24 ALA CB C 13 19.237 0.300 . 1 . . . . . 96 ALA CB . 27436 1 276 . 1 1 24 24 ALA N N 15 123.235 0.300 . 1 . . . . . 96 ALA N . 27436 1 277 . 1 1 25 25 THR H H 1 8.154 0.030 . 1 . . . . . 97 THR H . 27436 1 278 . 1 1 25 25 THR HA H 1 4.436 0.030 . 1 . . . . . 97 THR HA . 27436 1 279 . 1 1 25 25 THR HB H 1 4.367 0.030 . 1 . . . . . 97 THR HB . 27436 1 280 . 1 1 25 25 THR HG21 H 1 1.198 0.030 . 1 . . . . . 97 THR HG2 . 27436 1 281 . 1 1 25 25 THR HG22 H 1 1.198 0.030 . 1 . . . . . 97 THR HG2 . 27436 1 282 . 1 1 25 25 THR HG23 H 1 1.198 0.030 . 1 . . . . . 97 THR HG2 . 27436 1 283 . 1 1 25 25 THR C C 13 174.320 0.300 . 1 . . . . . 97 THR C . 27436 1 284 . 1 1 25 25 THR CA C 13 60.935 0.300 . 1 . . . . . 97 THR CA . 27436 1 285 . 1 1 25 25 THR CB C 13 69.095 0.300 . 1 . . . . . 97 THR CB . 27436 1 286 . 1 1 25 25 THR CG2 C 13 21.679 0.300 . 1 . . . . . 97 THR CG2 . 27436 1 287 . 1 1 25 25 THR N N 15 109.686 0.300 . 1 . . . . . 97 THR N . 27436 1 288 . 1 1 26 26 ALA H H 1 7.885 0.030 . 1 . . . . . 98 ALA H . 27436 1 289 . 1 1 26 26 ALA HA H 1 4.018 0.030 . 1 . . . . . 98 ALA HA . 27436 1 290 . 1 1 26 26 ALA HB1 H 1 1.312 0.030 . 1 . . . . . 98 ALA HB . 27436 1 291 . 1 1 26 26 ALA HB2 H 1 1.312 0.030 . 1 . . . . . 98 ALA HB . 27436 1 292 . 1 1 26 26 ALA HB3 H 1 1.312 0.030 . 1 . . . . . 98 ALA HB . 27436 1 293 . 1 1 26 26 ALA C C 13 178.119 0.300 . 1 . . . . . 98 ALA C . 27436 1 294 . 1 1 26 26 ALA CA C 13 53.392 0.300 . 1 . . . . . 98 ALA CA . 27436 1 295 . 1 1 26 26 ALA CB C 13 18.531 0.300 . 1 . . . . . 98 ALA CB . 27436 1 296 . 1 1 26 26 ALA N N 15 125.838 0.300 . 1 . . . . . 98 ALA N . 27436 1 297 . 1 1 27 27 GLY H H 1 8.671 0.030 . 1 . . . . . 99 GLY H . 27436 1 298 . 1 1 27 27 GLY HA2 H 1 3.772 0.030 . 2 . . . . . 99 GLY HA2 . 27436 1 299 . 1 1 27 27 GLY HA3 H 1 4.236 0.030 . 2 . . . . . 99 GLY HA3 . 27436 1 300 . 1 1 27 27 GLY C C 13 174.388 0.300 . 1 . . . . . 99 GLY C . 27436 1 301 . 1 1 27 27 GLY CA C 13 45.167 0.300 . 1 . . . . . 99 GLY CA . 27436 1 302 . 1 1 27 27 GLY N N 15 109.995 0.300 . 1 . . . . . 99 GLY N . 27436 1 303 . 1 1 28 28 SER H H 1 8.131 0.030 . 1 . . . . . 100 SER H . 27436 1 304 . 1 1 28 28 SER HA H 1 4.552 0.030 . 1 . . . . . 100 SER HA . 27436 1 305 . 1 1 28 28 SER HB2 H 1 3.927 0.030 . 1 . . . . . 100 SER HB2 . 27436 1 306 . 1 1 28 28 SER HB3 H 1 3.927 0.030 . 1 . . . . . 100 SER HB3 . 27436 1 307 . 1 1 28 28 SER C C 13 173.271 0.300 . 1 . . . . . 100 SER C . 27436 1 308 . 1 1 28 28 SER CA C 13 58.605 0.300 . 1 . . . . . 100 SER CA . 27436 1 309 . 1 1 28 28 SER CB C 13 64.138 0.300 . 1 . . . . . 100 SER CB . 27436 1 310 . 1 1 28 28 SER N N 15 116.027 0.300 . 1 . . . . . 100 SER N . 27436 1 311 . 1 1 29 29 VAL H H 1 8.337 0.030 . 1 . . . . . 101 VAL H . 27436 1 312 . 1 1 29 29 VAL HA H 1 4.410 0.030 . 1 . . . . . 101 VAL HA . 27436 1 313 . 1 1 29 29 VAL HB H 1 2.004 0.030 . 1 . . . . . 101 VAL HB . 27436 1 314 . 1 1 29 29 VAL HG11 H 1 0.902 0.030 . 2 . . . . . 101 VAL HG1 . 27436 1 315 . 1 1 29 29 VAL HG12 H 1 0.902 0.030 . 2 . . . . . 101 VAL HG1 . 27436 1 316 . 1 1 29 29 VAL HG13 H 1 0.902 0.030 . 2 . . . . . 101 VAL HG1 . 27436 1 317 . 1 1 29 29 VAL HG21 H 1 0.842 0.030 . 2 . . . . . 101 VAL HG2 . 27436 1 318 . 1 1 29 29 VAL HG22 H 1 0.842 0.030 . 2 . . . . . 101 VAL HG2 . 27436 1 319 . 1 1 29 29 VAL HG23 H 1 0.842 0.030 . 2 . . . . . 101 VAL HG2 . 27436 1 320 . 1 1 29 29 VAL C C 13 175.714 0.300 . 1 . . . . . 101 VAL C . 27436 1 321 . 1 1 29 29 VAL CA C 13 61.840 0.300 . 1 . . . . . 101 VAL CA . 27436 1 322 . 1 1 29 29 VAL CB C 13 33.585 0.300 . 1 . . . . . 101 VAL CB . 27436 1 323 . 1 1 29 29 VAL CG1 C 13 20.721 0.300 . 2 . . . . . 101 VAL CG1 . 27436 1 324 . 1 1 29 29 VAL CG2 C 13 21.432 0.300 . 2 . . . . . 101 VAL CG2 . 27436 1 325 . 1 1 29 29 VAL N N 15 120.566 0.300 . 1 . . . . . 101 VAL N . 27436 1 326 . 1 1 30 30 ASP H H 1 8.674 0.030 . 1 . . . . . 102 ASP H . 27436 1 327 . 1 1 30 30 ASP HA H 1 4.839 0.030 . 1 . . . . . 102 ASP HA . 27436 1 328 . 1 1 30 30 ASP HB2 H 1 2.573 0.030 . 1 . . . . . 102 ASP HB2 . 27436 1 329 . 1 1 30 30 ASP HB3 H 1 2.573 0.030 . 1 . . . . . 102 ASP HB3 . 27436 1 330 . 1 1 30 30 ASP C C 13 174.258 0.300 . 1 . . . . . 102 ASP C . 27436 1 331 . 1 1 30 30 ASP CA C 13 53.882 0.300 . 1 . . . . . 102 ASP CA . 27436 1 332 . 1 1 30 30 ASP CB C 13 42.956 0.300 . 1 . . . . . 102 ASP CB . 27436 1 333 . 1 1 30 30 ASP N N 15 126.215 0.300 . 1 . . . . . 102 ASP N . 27436 1 334 . 1 1 31 31 LYS H H 1 8.154 0.030 . 1 . . . . . 103 LYS H . 27436 1 335 . 1 1 31 31 LYS HA H 1 4.918 0.030 . 1 . . . . . 103 LYS HA . 27436 1 336 . 1 1 31 31 LYS HB2 H 1 1.540 0.030 . 2 . . . . . 103 LYS HB2 . 27436 1 337 . 1 1 31 31 LYS HB3 H 1 1.359 0.030 . 2 . . . . . 103 LYS HB3 . 27436 1 338 . 1 1 31 31 LYS HG2 H 1 1.289 0.030 . 1 . . . . . 103 LYS HG2 . 27436 1 339 . 1 1 31 31 LYS HG3 H 1 1.289 0.030 . 1 . . . . . 103 LYS HG3 . 27436 1 340 . 1 1 31 31 LYS HD2 H 1 1.594 0.030 . 1 . . . . . 103 LYS HD2 . 27436 1 341 . 1 1 31 31 LYS HD3 H 1 1.594 0.030 . 1 . . . . . 103 LYS HD3 . 27436 1 342 . 1 1 31 31 LYS HE2 H 1 2.915 0.030 . 2 . . . . . 103 LYS HE2 . 27436 1 343 . 1 1 31 31 LYS HE3 H 1 2.964 0.030 . 2 . . . . . 103 LYS HE3 . 27436 1 344 . 1 1 31 31 LYS C C 13 175.002 0.300 . 1 . . . . . 103 LYS C . 27436 1 345 . 1 1 31 31 LYS CA C 13 55.237 0.300 . 1 . . . . . 103 LYS CA . 27436 1 346 . 1 1 31 31 LYS CB C 13 35.065 0.300 . 1 . . . . . 103 LYS CB . 27436 1 347 . 1 1 31 31 LYS CG C 13 24.853 0.300 . 1 . . . . . 103 LYS CG . 27436 1 348 . 1 1 31 31 LYS CD C 13 29.115 0.300 . 1 . . . . . 103 LYS CD . 27436 1 349 . 1 1 31 31 LYS CE C 13 42.132 0.300 . 1 . . . . . 103 LYS CE . 27436 1 350 . 1 1 31 31 LYS N N 15 121.516 0.300 . 1 . . . . . 103 LYS N . 27436 1 351 . 1 1 32 32 TYR H H 1 8.560 0.030 . 1 . . . . . 104 TYR H . 27436 1 352 . 1 1 32 32 TYR HA H 1 5.045 0.030 . 1 . . . . . 104 TYR HA . 27436 1 353 . 1 1 32 32 TYR HB2 H 1 2.802 0.030 . 2 . . . . . 104 TYR HB2 . 27436 1 354 . 1 1 32 32 TYR HB3 H 1 2.566 0.030 . 2 . . . . . 104 TYR HB3 . 27436 1 355 . 1 1 32 32 TYR HD1 H 1 6.994 0.030 . 1 . . . . . 104 TYR HD1 . 27436 1 356 . 1 1 32 32 TYR HD2 H 1 6.994 0.030 . 1 . . . . . 104 TYR HD2 . 27436 1 357 . 1 1 32 32 TYR HE1 H 1 6.748 0.030 . 1 . . . . . 104 TYR HE1 . 27436 1 358 . 1 1 32 32 TYR HE2 H 1 6.748 0.030 . 1 . . . . . 104 TYR HE2 . 27436 1 359 . 1 1 32 32 TYR C C 13 173.750 0.300 . 1 . . . . . 104 TYR C . 27436 1 360 . 1 1 32 32 TYR CA C 13 55.603 0.300 . 1 . . . . . 104 TYR CA . 27436 1 361 . 1 1 32 32 TYR CB C 13 41.905 0.300 . 1 . . . . . 104 TYR CB . 27436 1 362 . 1 1 32 32 TYR CD1 C 13 132.836 0.300 . 1 . . . . . 104 TYR CD1 . 27436 1 363 . 1 1 32 32 TYR CD2 C 13 132.836 0.300 . 1 . . . . . 104 TYR CD2 . 27436 1 364 . 1 1 32 32 TYR CE1 C 13 118.038 0.300 . 1 . . . . . 104 TYR CE1 . 27436 1 365 . 1 1 32 32 TYR CE2 C 13 118.038 0.300 . 1 . . . . . 104 TYR CE2 . 27436 1 366 . 1 1 32 32 TYR N N 15 118.915 0.300 . 1 . . . . . 104 TYR N . 27436 1 367 . 1 1 33 33 TYR H H 1 8.660 0.030 . 1 . . . . . 105 TYR H . 27436 1 368 . 1 1 33 33 TYR HA H 1 5.510 0.030 . 1 . . . . . 105 TYR HA . 27436 1 369 . 1 1 33 33 TYR HB2 H 1 3.168 0.030 . 2 . . . . . 105 TYR HB2 . 27436 1 370 . 1 1 33 33 TYR HB3 H 1 2.912 0.030 . 2 . . . . . 105 TYR HB3 . 27436 1 371 . 1 1 33 33 TYR HD1 H 1 6.923 0.030 . 1 . . . . . 105 TYR HD1 . 27436 1 372 . 1 1 33 33 TYR HD2 H 1 6.923 0.030 . 1 . . . . . 105 TYR HD2 . 27436 1 373 . 1 1 33 33 TYR HE1 H 1 6.678 0.030 . 1 . . . . . 105 TYR HE1 . 27436 1 374 . 1 1 33 33 TYR HE2 H 1 6.678 0.030 . 1 . . . . . 105 TYR HE2 . 27436 1 375 . 1 1 33 33 TYR C C 13 175.596 0.300 . 1 . . . . . 105 TYR C . 27436 1 376 . 1 1 33 33 TYR CA C 13 56.470 0.300 . 1 . . . . . 105 TYR CA . 27436 1 377 . 1 1 33 33 TYR CB C 13 42.040 0.300 . 1 . . . . . 105 TYR CB . 27436 1 378 . 1 1 33 33 TYR CD1 C 13 133.543 0.300 . 1 . . . . . 105 TYR CD1 . 27436 1 379 . 1 1 33 33 TYR CD2 C 13 133.543 0.300 . 1 . . . . . 105 TYR CD2 . 27436 1 380 . 1 1 33 33 TYR CE1 C 13 117.770 0.300 . 1 . . . . . 105 TYR CE1 . 27436 1 381 . 1 1 33 33 TYR CE2 C 13 117.770 0.300 . 1 . . . . . 105 TYR CE2 . 27436 1 382 . 1 1 33 33 TYR N N 15 118.388 0.300 . 1 . . . . . 105 TYR N . 27436 1 383 . 1 1 34 34 TYR H H 1 9.583 0.030 . 1 . . . . . 106 TYR H . 27436 1 384 . 1 1 34 34 TYR HA H 1 5.428 0.030 . 1 . . . . . 106 TYR HA . 27436 1 385 . 1 1 34 34 TYR HB2 H 1 2.659 0.030 . 2 . . . . . 106 TYR HB2 . 27436 1 386 . 1 1 34 34 TYR HB3 H 1 2.703 0.030 . 2 . . . . . 106 TYR HB3 . 27436 1 387 . 1 1 34 34 TYR HD1 H 1 6.889 0.030 . 1 . . . . . 106 TYR HD1 . 27436 1 388 . 1 1 34 34 TYR HD2 H 1 6.889 0.030 . 1 . . . . . 106 TYR HD2 . 27436 1 389 . 1 1 34 34 TYR HE1 H 1 6.633 0.030 . 1 . . . . . 106 TYR HE1 . 27436 1 390 . 1 1 34 34 TYR HE2 H 1 6.633 0.030 . 1 . . . . . 106 TYR HE2 . 27436 1 391 . 1 1 34 34 TYR C C 13 174.634 0.300 . 1 . . . . . 106 TYR C . 27436 1 392 . 1 1 34 34 TYR CA C 13 56.562 0.300 . 1 . . . . . 106 TYR CA . 27436 1 393 . 1 1 34 34 TYR CB C 13 41.275 0.300 . 1 . . . . . 106 TYR CB . 27436 1 394 . 1 1 34 34 TYR CD1 C 13 133.038 0.300 . 1 . . . . . 106 TYR CD1 . 27436 1 395 . 1 1 34 34 TYR CD2 C 13 133.038 0.300 . 1 . . . . . 106 TYR CD2 . 27436 1 396 . 1 1 34 34 TYR CE1 C 13 118.033 0.300 . 1 . . . . . 106 TYR CE1 . 27436 1 397 . 1 1 34 34 TYR CE2 C 13 118.033 0.300 . 1 . . . . . 106 TYR CE2 . 27436 1 398 . 1 1 34 34 TYR N N 15 120.683 0.300 . 1 . . . . . 106 TYR N . 27436 1 399 . 1 1 35 35 GLU H H 1 8.204 0.030 . 1 . . . . . 107 GLU H . 27436 1 400 . 1 1 35 35 GLU HA H 1 2.355 0.030 . 1 . . . . . 107 GLU HA . 27436 1 401 . 1 1 35 35 GLU HB2 H 1 1.822 0.030 . 2 . . . . . 107 GLU HB2 . 27436 1 402 . 1 1 35 35 GLU HB3 H 1 0.980 0.030 . 2 . . . . . 107 GLU HB3 . 27436 1 403 . 1 1 35 35 GLU HG2 H 1 2.295 0.030 . 2 . . . . . 107 GLU HG2 . 27436 1 404 . 1 1 35 35 GLU HG3 H 1 1.888 0.030 . 2 . . . . . 107 GLU HG3 . 27436 1 405 . 1 1 35 35 GLU C C 13 174.604 0.300 . 1 . . . . . 107 GLU C . 27436 1 406 . 1 1 35 35 GLU CA C 13 52.551 0.300 . 1 . . . . . 107 GLU CA . 27436 1 407 . 1 1 35 35 GLU CB C 13 31.438 0.300 . 1 . . . . . 107 GLU CB . 27436 1 408 . 1 1 35 35 GLU CG C 13 35.600 0.300 . 1 . . . . . 107 GLU CG . 27436 1 409 . 1 1 35 35 GLU N N 15 128.482 0.300 . 1 . . . . . 107 GLU N . 27436 1 410 . 1 1 36 36 PRO HA H 1 4.096 0.030 . 1 . . . . . 108 PRO HA . 27436 1 411 . 1 1 36 36 PRO HB2 H 1 1.815 0.030 . 2 . . . . . 108 PRO HB2 . 27436 1 412 . 1 1 36 36 PRO HB3 H 1 2.108 0.030 . 2 . . . . . 108 PRO HB3 . 27436 1 413 . 1 1 36 36 PRO HG2 H 1 1.712 0.030 . 2 . . . . . 108 PRO HG2 . 27436 1 414 . 1 1 36 36 PRO HG3 H 1 1.911 0.030 . 2 . . . . . 108 PRO HG3 . 27436 1 415 . 1 1 36 36 PRO HD2 H 1 2.807 0.030 . 2 . . . . . 108 PRO HD2 . 27436 1 416 . 1 1 36 36 PRO HD3 H 1 2.388 0.030 . 2 . . . . . 108 PRO HD3 . 27436 1 417 . 1 1 36 36 PRO C C 13 178.469 0.300 . 1 . . . . . 108 PRO C . 27436 1 418 . 1 1 36 36 PRO CA C 13 63.810 0.300 . 1 . . . . . 108 PRO CA . 27436 1 419 . 1 1 36 36 PRO CB C 13 31.657 0.300 . 1 . . . . . 108 PRO CB . 27436 1 420 . 1 1 36 36 PRO CG C 13 27.015 0.300 . 1 . . . . . 108 PRO CG . 27436 1 421 . 1 1 36 36 PRO CD C 13 49.711 0.300 . 1 . . . . . 108 PRO CD . 27436 1 422 . 1 1 37 37 ASN H H 1 8.926 0.030 . 1 . . . . . 109 ASN H . 27436 1 423 . 1 1 37 37 ASN HA H 1 4.277 0.030 . 1 . . . . . 109 ASN HA . 27436 1 424 . 1 1 37 37 ASN HB2 H 1 2.824 0.030 . 2 . . . . . 109 ASN HB2 . 27436 1 425 . 1 1 37 37 ASN HB3 H 1 3.176 0.030 . 2 . . . . . 109 ASN HB3 . 27436 1 426 . 1 1 37 37 ASN C C 13 176.878 0.300 . 1 . . . . . 109 ASN C . 27436 1 427 . 1 1 37 37 ASN CA C 13 57.208 0.300 . 1 . . . . . 109 ASN CA . 27436 1 428 . 1 1 37 37 ASN CB C 13 38.230 0.300 . 1 . . . . . 109 ASN CB . 27436 1 429 . 1 1 37 37 ASN N N 15 116.344 0.300 . 1 . . . . . 109 ASN N . 27436 1 430 . 1 1 38 38 THR H H 1 8.404 0.030 . 1 . . . . . 110 THR H . 27436 1 431 . 1 1 38 38 THR HA H 1 4.292 0.030 . 1 . . . . . 110 THR HA . 27436 1 432 . 1 1 38 38 THR HB H 1 4.256 0.030 . 1 . . . . . 110 THR HB . 27436 1 433 . 1 1 38 38 THR HG21 H 1 1.221 0.030 . 1 . . . . . 110 THR HG2 . 27436 1 434 . 1 1 38 38 THR HG22 H 1 1.221 0.030 . 1 . . . . . 110 THR HG2 . 27436 1 435 . 1 1 38 38 THR HG23 H 1 1.221 0.030 . 1 . . . . . 110 THR HG2 . 27436 1 436 . 1 1 38 38 THR C C 13 176.933 0.300 . 1 . . . . . 110 THR C . 27436 1 437 . 1 1 38 38 THR CA C 13 62.122 0.300 . 1 . . . . . 110 THR CA . 27436 1 438 . 1 1 38 38 THR CB C 13 70.030 0.300 . 1 . . . . . 110 THR CB . 27436 1 439 . 1 1 38 38 THR CG2 C 13 21.148 0.300 . 1 . . . . . 110 THR CG2 . 27436 1 440 . 1 1 38 38 THR N N 15 110.529 0.300 . 1 . . . . . 110 THR N . 27436 1 441 . 1 1 39 39 GLY H H 1 7.872 0.030 . 1 . . . . . 111 GLY H . 27436 1 442 . 1 1 39 39 GLY HA2 H 1 3.724 0.030 . 2 . . . . . 111 GLY HA2 . 27436 1 443 . 1 1 39 39 GLY HA3 H 1 4.085 0.030 . 2 . . . . . 111 GLY HA3 . 27436 1 444 . 1 1 39 39 GLY C C 13 174.026 0.300 . 1 . . . . . 111 GLY C . 27436 1 445 . 1 1 39 39 GLY CA C 13 45.856 0.300 . 1 . . . . . 111 GLY CA . 27436 1 446 . 1 1 39 39 GLY N N 15 110.629 0.300 . 1 . . . . . 111 GLY N . 27436 1 447 . 1 1 40 40 ARG H H 1 7.963 0.030 . 1 . . . . . 112 ARG H . 27436 1 448 . 1 1 40 40 ARG HA H 1 3.896 0.030 . 1 . . . . . 112 ARG HA . 27436 1 449 . 1 1 40 40 ARG HB2 H 1 1.494 0.030 . 2 . . . . . 112 ARG HB2 . 27436 1 450 . 1 1 40 40 ARG HB3 H 1 1.624 0.030 . 2 . . . . . 112 ARG HB3 . 27436 1 451 . 1 1 40 40 ARG HG2 H 1 1.076 0.030 . 2 . . . . . 112 ARG HG2 . 27436 1 452 . 1 1 40 40 ARG HG3 H 1 1.471 0.030 . 2 . . . . . 112 ARG HG3 . 27436 1 453 . 1 1 40 40 ARG HD2 H 1 3.078 0.030 . 2 . . . . . 112 ARG HD2 . 27436 1 454 . 1 1 40 40 ARG HD3 H 1 2.873 0.030 . 2 . . . . . 112 ARG HD3 . 27436 1 455 . 1 1 40 40 ARG HH11 H 1 8.582 0.030 . 1 . . . . . 112 ARG HH11 . 27436 1 456 . 1 1 40 40 ARG HH12 H 1 8.582 0.030 . 1 . . . . . 112 ARG HH12 . 27436 1 457 . 1 1 40 40 ARG C C 13 174.320 0.300 . 1 . . . . . 112 ARG C . 27436 1 458 . 1 1 40 40 ARG CA C 13 57.627 0.300 . 1 . . . . . 112 ARG CA . 27436 1 459 . 1 1 40 40 ARG CB C 13 30.830 0.300 . 1 . . . . . 112 ARG CB . 27436 1 460 . 1 1 40 40 ARG CG C 13 27.380 0.300 . 1 . . . . . 112 ARG CG . 27436 1 461 . 1 1 40 40 ARG CD C 13 43.529 0.300 . 1 . . . . . 112 ARG CD . 27436 1 462 . 1 1 40 40 ARG N N 15 121.402 0.300 . 1 . . . . . 112 ARG N . 27436 1 463 . 1 1 41 41 LYS H H 1 7.889 0.030 . 1 . . . . . 113 LYS H . 27436 1 464 . 1 1 41 41 LYS HA H 1 4.908 0.030 . 1 . . . . . 113 LYS HA . 27436 1 465 . 1 1 41 41 LYS HB2 H 1 1.372 0.030 . 2 . . . . . 113 LYS HB2 . 27436 1 466 . 1 1 41 41 LYS HB3 H 1 1.406 0.030 . 2 . . . . . 113 LYS HB3 . 27436 1 467 . 1 1 41 41 LYS HG2 H 1 0.808 0.030 . 2 . . . . . 113 LYS HG2 . 27436 1 468 . 1 1 41 41 LYS HG3 H 1 0.878 0.030 . 2 . . . . . 113 LYS HG3 . 27436 1 469 . 1 1 41 41 LYS HD2 H 1 1.189 0.030 . 2 . . . . . 113 LYS HD2 . 27436 1 470 . 1 1 41 41 LYS HD3 H 1 1.269 0.030 . 2 . . . . . 113 LYS HD3 . 27436 1 471 . 1 1 41 41 LYS HE2 H 1 2.469 0.030 . 1 . . . . . 113 LYS HE2 . 27436 1 472 . 1 1 41 41 LYS HE3 H 1 2.469 0.030 . 1 . . . . . 113 LYS HE3 . 27436 1 473 . 1 1 41 41 LYS C C 13 175.449 0.300 . 1 . . . . . 113 LYS C . 27436 1 474 . 1 1 41 41 LYS CA C 13 54.892 0.300 . 1 . . . . . 113 LYS CA . 27436 1 475 . 1 1 41 41 LYS CB C 13 35.606 0.300 . 1 . . . . . 113 LYS CB . 27436 1 476 . 1 1 41 41 LYS CG C 13 24.278 0.300 . 1 . . . . . 113 LYS CG . 27436 1 477 . 1 1 41 41 LYS CD C 13 29.749 0.300 . 1 . . . . . 113 LYS CD . 27436 1 478 . 1 1 41 41 LYS CE C 13 41.622 0.300 . 1 . . . . . 113 LYS CE . 27436 1 479 . 1 1 41 41 LYS N N 15 123.408 0.300 . 1 . . . . . 113 LYS N . 27436 1 480 . 1 1 42 42 PHE H H 1 9.465 0.030 . 1 . . . . . 114 PHE H . 27436 1 481 . 1 1 42 42 PHE HA H 1 4.890 0.030 . 1 . . . . . 114 PHE HA . 27436 1 482 . 1 1 42 42 PHE HB2 H 1 3.036 0.030 . 2 . . . . . 114 PHE HB2 . 27436 1 483 . 1 1 42 42 PHE HB3 H 1 3.253 0.030 . 2 . . . . . 114 PHE HB3 . 27436 1 484 . 1 1 42 42 PHE HD1 H 1 7.335 0.030 . 1 . . . . . 114 PHE HD1 . 27436 1 485 . 1 1 42 42 PHE HD2 H 1 7.335 0.030 . 1 . . . . . 114 PHE HD2 . 27436 1 486 . 1 1 42 42 PHE HE1 H 1 6.936 0.030 . 1 . . . . . 114 PHE HE1 . 27436 1 487 . 1 1 42 42 PHE HE2 H 1 6.936 0.030 . 1 . . . . . 114 PHE HE2 . 27436 1 488 . 1 1 42 42 PHE HZ H 1 5.846 0.030 . 1 . . . . . 114 PHE HZ . 27436 1 489 . 1 1 42 42 PHE C C 13 176.405 0.300 . 1 . . . . . 114 PHE C . 27436 1 490 . 1 1 42 42 PHE CA C 13 56.735 0.300 . 1 . . . . . 114 PHE CA . 27436 1 491 . 1 1 42 42 PHE CB C 13 43.957 0.300 . 1 . . . . . 114 PHE CB . 27436 1 492 . 1 1 42 42 PHE CD1 C 13 132.293 0.300 . 1 . . . . . 114 PHE CD1 . 27436 1 493 . 1 1 42 42 PHE CD2 C 13 132.293 0.300 . 1 . . . . . 114 PHE CD2 . 27436 1 494 . 1 1 42 42 PHE CE1 C 13 131.259 0.300 . 1 . . . . . 114 PHE CE1 . 27436 1 495 . 1 1 42 42 PHE CE2 C 13 131.259 0.300 . 1 . . . . . 114 PHE CE2 . 27436 1 496 . 1 1 42 42 PHE CZ C 13 129.551 0.300 . 1 . . . . . 114 PHE CZ . 27436 1 497 . 1 1 42 42 PHE N N 15 122.918 0.300 . 1 . . . . . 114 PHE N . 27436 1 498 . 1 1 43 43 ARG H H 1 9.224 0.030 . 1 . . . . . 115 ARG H . 27436 1 499 . 1 1 43 43 ARG HA H 1 4.776 0.030 . 1 . . . . . 115 ARG HA . 27436 1 500 . 1 1 43 43 ARG HB2 H 1 1.914 0.030 . 2 . . . . . 115 ARG HB2 . 27436 1 501 . 1 1 43 43 ARG HB3 H 1 2.129 0.030 . 2 . . . . . 115 ARG HB3 . 27436 1 502 . 1 1 43 43 ARG HG2 H 1 1.537 0.030 . 2 . . . . . 115 ARG HG2 . 27436 1 503 . 1 1 43 43 ARG HG3 H 1 1.698 0.030 . 2 . . . . . 115 ARG HG3 . 27436 1 504 . 1 1 43 43 ARG HD2 H 1 3.221 0.030 . 1 . . . . . 115 ARG HD2 . 27436 1 505 . 1 1 43 43 ARG HD3 H 1 3.221 0.030 . 1 . . . . . 115 ARG HD3 . 27436 1 506 . 1 1 43 43 ARG C C 13 175.471 0.300 . 1 . . . . . 115 ARG C . 27436 1 507 . 1 1 43 43 ARG CA C 13 56.531 0.300 . 1 . . . . . 115 ARG CA . 27436 1 508 . 1 1 43 43 ARG CB C 13 31.626 0.300 . 1 . . . . . 115 ARG CB . 27436 1 509 . 1 1 43 43 ARG CG C 13 27.733 0.300 . 1 . . . . . 115 ARG CG . 27436 1 510 . 1 1 43 43 ARG CD C 13 43.185 0.300 . 1 . . . . . 115 ARG CD . 27436 1 511 . 1 1 43 43 ARG N N 15 118.678 0.300 . 1 . . . . . 115 ARG N . 27436 1 512 . 1 1 44 44 SER H H 1 7.539 0.030 . 1 . . . . . 116 SER H . 27436 1 513 . 1 1 44 44 SER HA H 1 5.044 0.030 . 1 . . . . . 116 SER HA . 27436 1 514 . 1 1 44 44 SER HB2 H 1 4.095 0.030 . 2 . . . . . 116 SER HB2 . 27436 1 515 . 1 1 44 44 SER HB3 H 1 4.289 0.030 . 2 . . . . . 116 SER HB3 . 27436 1 516 . 1 1 44 44 SER C C 13 173.405 0.300 . 1 . . . . . 116 SER C . 27436 1 517 . 1 1 44 44 SER CA C 13 57.191 0.300 . 1 . . . . . 116 SER CA . 27436 1 518 . 1 1 44 44 SER CB C 13 66.619 0.300 . 1 . . . . . 116 SER CB . 27436 1 519 . 1 1 44 44 SER N N 15 109.230 0.300 . 1 . . . . . 116 SER N . 27436 1 520 . 1 1 45 45 ARG H H 1 9.063 0.030 . 1 . . . . . 117 ARG H . 27436 1 521 . 1 1 45 45 ARG HA H 1 3.330 0.030 . 1 . . . . . 117 ARG HA . 27436 1 522 . 1 1 45 45 ARG HB2 H 1 1.515 0.030 . 2 . . . . . 117 ARG HB2 . 27436 1 523 . 1 1 45 45 ARG HB3 H 1 1.301 0.030 . 2 . . . . . 117 ARG HB3 . 27436 1 524 . 1 1 45 45 ARG HG2 H 1 0.782 0.030 . 2 . . . . . 117 ARG HG2 . 27436 1 525 . 1 1 45 45 ARG HG3 H 1 0.027 0.030 . 2 . . . . . 117 ARG HG3 . 27436 1 526 . 1 1 45 45 ARG HD2 H 1 2.259 0.030 . 2 . . . . . 117 ARG HD2 . 27436 1 527 . 1 1 45 45 ARG HD3 H 1 2.555 0.030 . 2 . . . . . 117 ARG HD3 . 27436 1 528 . 1 1 45 45 ARG C C 13 177.273 0.300 . 1 . . . . . 117 ARG C . 27436 1 529 . 1 1 45 45 ARG CA C 13 58.978 0.300 . 1 . . . . . 117 ARG CA . 27436 1 530 . 1 1 45 45 ARG CB C 13 30.028 0.300 . 1 . . . . . 117 ARG CB . 27436 1 531 . 1 1 45 45 ARG CG C 13 26.184 0.300 . 1 . . . . . 117 ARG CG . 27436 1 532 . 1 1 45 45 ARG CD C 13 43.257 0.300 . 1 . . . . . 117 ARG CD . 27436 1 533 . 1 1 45 45 ARG N N 15 123.704 0.300 . 1 . . . . . 117 ARG N . 27436 1 534 . 1 1 46 46 THR H H 1 8.008 0.030 . 1 . . . . . 118 THR H . 27436 1 535 . 1 1 46 46 THR HA H 1 3.686 0.030 . 1 . . . . . 118 THR HA . 27436 1 536 . 1 1 46 46 THR HB H 1 4.037 0.030 . 1 . . . . . 118 THR HB . 27436 1 537 . 1 1 46 46 THR HG21 H 1 1.194 0.030 . 1 . . . . . 118 THR HG2 . 27436 1 538 . 1 1 46 46 THR HG22 H 1 1.194 0.030 . 1 . . . . . 118 THR HG2 . 27436 1 539 . 1 1 46 46 THR HG23 H 1 1.194 0.030 . 1 . . . . . 118 THR HG2 . 27436 1 540 . 1 1 46 46 THR C C 13 176.843 0.300 . 1 . . . . . 118 THR C . 27436 1 541 . 1 1 46 46 THR CA C 13 66.466 0.300 . 1 . . . . . 118 THR CA . 27436 1 542 . 1 1 46 46 THR CB C 13 68.593 0.300 . 1 . . . . . 118 THR CB . 27436 1 543 . 1 1 46 46 THR CG2 C 13 21.937 0.300 . 1 . . . . . 118 THR CG2 . 27436 1 544 . 1 1 46 46 THR N N 15 112.908 0.300 . 1 . . . . . 118 THR N . 27436 1 545 . 1 1 47 47 GLU H H 1 7.765 0.030 . 1 . . . . . 119 GLU H . 27436 1 546 . 1 1 47 47 GLU HA H 1 4.131 0.030 . 1 . . . . . 119 GLU HA . 27436 1 547 . 1 1 47 47 GLU HB2 H 1 2.353 0.030 . 2 . . . . . 119 GLU HB2 . 27436 1 548 . 1 1 47 47 GLU HB3 H 1 2.491 0.030 . 2 . . . . . 119 GLU HB3 . 27436 1 549 . 1 1 47 47 GLU HG2 H 1 2.516 0.030 . 2 . . . . . 119 GLU HG2 . 27436 1 550 . 1 1 47 47 GLU HG3 H 1 2.435 0.030 . 2 . . . . . 119 GLU HG3 . 27436 1 551 . 1 1 47 47 GLU C C 13 179.671 0.300 . 1 . . . . . 119 GLU C . 27436 1 552 . 1 1 47 47 GLU CA C 13 59.630 0.300 . 1 . . . . . 119 GLU CA . 27436 1 553 . 1 1 47 47 GLU CB C 13 31.190 0.300 . 1 . . . . . 119 GLU CB . 27436 1 554 . 1 1 47 47 GLU CG C 13 37.304 0.300 . 1 . . . . . 119 GLU CG . 27436 1 555 . 1 1 47 47 GLU N N 15 121.184 0.300 . 1 . . . . . 119 GLU N . 27436 1 556 . 1 1 48 48 VAL H H 1 7.649 0.030 . 1 . . . . . 120 VAL H . 27436 1 557 . 1 1 48 48 VAL HA H 1 2.944 0.030 . 1 . . . . . 120 VAL HA . 27436 1 558 . 1 1 48 48 VAL HB H 1 1.926 0.030 . 1 . . . . . 120 VAL HB . 27436 1 559 . 1 1 48 48 VAL HG11 H 1 0.101 0.030 . 2 . . . . . 120 VAL HG1 . 27436 1 560 . 1 1 48 48 VAL HG12 H 1 0.101 0.030 . 2 . . . . . 120 VAL HG1 . 27436 1 561 . 1 1 48 48 VAL HG13 H 1 0.101 0.030 . 2 . . . . . 120 VAL HG1 . 27436 1 562 . 1 1 48 48 VAL HG21 H 1 0.688 0.030 . 2 . . . . . 120 VAL HG2 . 27436 1 563 . 1 1 48 48 VAL HG22 H 1 0.688 0.030 . 2 . . . . . 120 VAL HG2 . 27436 1 564 . 1 1 48 48 VAL HG23 H 1 0.688 0.030 . 2 . . . . . 120 VAL HG2 . 27436 1 565 . 1 1 48 48 VAL C C 13 177.147 0.300 . 1 . . . . . 120 VAL C . 27436 1 566 . 1 1 48 48 VAL CA C 13 66.835 0.300 . 1 . . . . . 120 VAL CA . 27436 1 567 . 1 1 48 48 VAL CB C 13 31.538 0.300 . 1 . . . . . 120 VAL CB . 27436 1 568 . 1 1 48 48 VAL CG1 C 13 20.604 0.300 . 2 . . . . . 120 VAL CG1 . 27436 1 569 . 1 1 48 48 VAL CG2 C 13 23.450 0.300 . 2 . . . . . 120 VAL CG2 . 27436 1 570 . 1 1 48 48 VAL N N 15 121.046 0.300 . 1 . . . . . 120 VAL N . 27436 1 571 . 1 1 49 49 LEU H H 1 8.308 0.030 . 1 . . . . . 121 LEU H . 27436 1 572 . 1 1 49 49 LEU HA H 1 3.851 0.030 . 1 . . . . . 121 LEU HA . 27436 1 573 . 1 1 49 49 LEU HB2 H 1 1.410 0.030 . 2 . . . . . 121 LEU HB2 . 27436 1 574 . 1 1 49 49 LEU HB3 H 1 1.671 0.030 . 2 . . . . . 121 LEU HB3 . 27436 1 575 . 1 1 49 49 LEU HG H 1 1.517 0.030 . 1 . . . . . 121 LEU HG . 27436 1 576 . 1 1 49 49 LEU HD11 H 1 0.736 0.030 . 2 . . . . . 121 LEU HD1 . 27436 1 577 . 1 1 49 49 LEU HD12 H 1 0.736 0.030 . 2 . . . . . 121 LEU HD1 . 27436 1 578 . 1 1 49 49 LEU HD13 H 1 0.736 0.030 . 2 . . . . . 121 LEU HD1 . 27436 1 579 . 1 1 49 49 LEU HD21 H 1 0.583 0.030 . 2 . . . . . 121 LEU HD2 . 27436 1 580 . 1 1 49 49 LEU HD22 H 1 0.583 0.030 . 2 . . . . . 121 LEU HD2 . 27436 1 581 . 1 1 49 49 LEU HD23 H 1 0.583 0.030 . 2 . . . . . 121 LEU HD2 . 27436 1 582 . 1 1 49 49 LEU C C 13 179.738 0.300 . 1 . . . . . 121 LEU C . 27436 1 583 . 1 1 49 49 LEU CA C 13 58.151 0.300 . 1 . . . . . 121 LEU CA . 27436 1 584 . 1 1 49 49 LEU CB C 13 40.805 0.300 . 1 . . . . . 121 LEU CB . 27436 1 585 . 1 1 49 49 LEU CG C 13 26.806 0.300 . 1 . . . . . 121 LEU CG . 27436 1 586 . 1 1 49 49 LEU CD1 C 13 22.526 0.300 . 2 . . . . . 121 LEU CD1 . 27436 1 587 . 1 1 49 49 LEU CD2 C 13 25.441 0.300 . 2 . . . . . 121 LEU CD2 . 27436 1 588 . 1 1 49 49 LEU N N 15 117.979 0.300 . 1 . . . . . 121 LEU N . 27436 1 589 . 1 1 50 50 TYR H H 1 8.109 0.030 . 1 . . . . . 122 TYR H . 27436 1 590 . 1 1 50 50 TYR HA H 1 4.244 0.030 . 1 . . . . . 122 TYR HA . 27436 1 591 . 1 1 50 50 TYR HB2 H 1 3.164 0.030 . 1 . . . . . 122 TYR HB2 . 27436 1 592 . 1 1 50 50 TYR HB3 H 1 3.164 0.030 . 1 . . . . . 122 TYR HB3 . 27436 1 593 . 1 1 50 50 TYR HD1 H 1 7.211 0.030 . 1 . . . . . 122 TYR HD1 . 27436 1 594 . 1 1 50 50 TYR HD2 H 1 7.211 0.030 . 1 . . . . . 122 TYR HD2 . 27436 1 595 . 1 1 50 50 TYR HE1 H 1 6.650 0.030 . 1 . . . . . 122 TYR HE1 . 27436 1 596 . 1 1 50 50 TYR HE2 H 1 6.650 0.030 . 1 . . . . . 122 TYR HE2 . 27436 1 597 . 1 1 50 50 TYR C C 13 178.322 0.300 . 1 . . . . . 122 TYR C . 27436 1 598 . 1 1 50 50 TYR CA C 13 62.174 0.300 . 1 . . . . . 122 TYR CA . 27436 1 599 . 1 1 50 50 TYR CB C 13 38.443 0.300 . 1 . . . . . 122 TYR CB . 27436 1 600 . 1 1 50 50 TYR CD1 C 13 133.483 0.300 . 1 . . . . . 122 TYR CD1 . 27436 1 601 . 1 1 50 50 TYR CD2 C 13 133.483 0.300 . 1 . . . . . 122 TYR CD2 . 27436 1 602 . 1 1 50 50 TYR CE1 C 13 118.005 0.300 . 1 . . . . . 122 TYR CE1 . 27436 1 603 . 1 1 50 50 TYR CE2 C 13 118.005 0.300 . 1 . . . . . 122 TYR CE2 . 27436 1 604 . 1 1 50 50 TYR N N 15 119.827 0.300 . 1 . . . . . 122 TYR N . 27436 1 605 . 1 1 51 51 TYR H H 1 7.935 0.030 . 1 . . . . . 123 TYR H . 27436 1 606 . 1 1 51 51 TYR HA H 1 4.441 0.030 . 1 . . . . . 123 TYR HA . 27436 1 607 . 1 1 51 51 TYR HB2 H 1 3.114 0.030 . 2 . . . . . 123 TYR HB2 . 27436 1 608 . 1 1 51 51 TYR HB3 H 1 3.347 0.030 . 2 . . . . . 123 TYR HB3 . 27436 1 609 . 1 1 51 51 TYR HD1 H 1 7.119 0.030 . 1 . . . . . 123 TYR HD1 . 27436 1 610 . 1 1 51 51 TYR HD2 H 1 7.119 0.030 . 1 . . . . . 123 TYR HD2 . 27436 1 611 . 1 1 51 51 TYR HE1 H 1 7.058 0.030 . 1 . . . . . 123 TYR HE1 . 27436 1 612 . 1 1 51 51 TYR HE2 H 1 7.058 0.030 . 1 . . . . . 123 TYR HE2 . 27436 1 613 . 1 1 51 51 TYR C C 13 178.727 0.300 . 1 . . . . . 123 TYR C . 27436 1 614 . 1 1 51 51 TYR CA C 13 60.774 0.300 . 1 . . . . . 123 TYR CA . 27436 1 615 . 1 1 51 51 TYR CB C 13 38.883 0.300 . 1 . . . . . 123 TYR CB . 27436 1 616 . 1 1 51 51 TYR CD1 C 13 133.318 0.300 . 1 . . . . . 123 TYR CD1 . 27436 1 617 . 1 1 51 51 TYR CD2 C 13 133.318 0.300 . 1 . . . . . 123 TYR CD2 . 27436 1 618 . 1 1 51 51 TYR CE1 C 13 118.551 0.300 . 1 . . . . . 123 TYR CE1 . 27436 1 619 . 1 1 51 51 TYR CE2 C 13 118.551 0.300 . 1 . . . . . 123 TYR CE2 . 27436 1 620 . 1 1 51 51 TYR N N 15 121.606 0.300 . 1 . . . . . 123 TYR N . 27436 1 621 . 1 1 52 52 LEU H H 1 8.690 0.030 . 1 . . . . . 124 LEU H . 27436 1 622 . 1 1 52 52 LEU HA H 1 3.833 0.030 . 1 . . . . . 124 LEU HA . 27436 1 623 . 1 1 52 52 LEU HB2 H 1 1.403 0.030 . 2 . . . . . 124 LEU HB2 . 27436 1 624 . 1 1 52 52 LEU HB3 H 1 1.806 0.030 . 2 . . . . . 124 LEU HB3 . 27436 1 625 . 1 1 52 52 LEU HG H 1 1.870 0.030 . 1 . . . . . 124 LEU HG . 27436 1 626 . 1 1 52 52 LEU HD11 H 1 0.964 0.030 . 2 . . . . . 124 LEU HD1 . 27436 1 627 . 1 1 52 52 LEU HD12 H 1 0.964 0.030 . 2 . . . . . 124 LEU HD1 . 27436 1 628 . 1 1 52 52 LEU HD13 H 1 0.964 0.030 . 2 . . . . . 124 LEU HD1 . 27436 1 629 . 1 1 52 52 LEU HD21 H 1 0.627 0.030 . 2 . . . . . 124 LEU HD2 . 27436 1 630 . 1 1 52 52 LEU HD22 H 1 0.627 0.030 . 2 . . . . . 124 LEU HD2 . 27436 1 631 . 1 1 52 52 LEU HD23 H 1 0.627 0.030 . 2 . . . . . 124 LEU HD2 . 27436 1 632 . 1 1 52 52 LEU C C 13 179.099 0.300 . 1 . . . . . 124 LEU C . 27436 1 633 . 1 1 52 52 LEU CA C 13 57.342 0.300 . 1 . . . . . 124 LEU CA . 27436 1 634 . 1 1 52 52 LEU CB C 13 41.636 0.300 . 1 . . . . . 124 LEU CB . 27436 1 635 . 1 1 52 52 LEU CG C 13 26.547 0.300 . 1 . . . . . 124 LEU CG . 27436 1 636 . 1 1 52 52 LEU CD1 C 13 22.471 0.300 . 2 . . . . . 124 LEU CD1 . 27436 1 637 . 1 1 52 52 LEU CD2 C 13 26.173 0.300 . 2 . . . . . 124 LEU CD2 . 27436 1 638 . 1 1 52 52 LEU N N 15 119.989 0.300 . 1 . . . . . 124 LEU N . 27436 1 639 . 1 1 53 53 GLU H H 1 7.678 0.030 . 1 . . . . . 125 GLU H . 27436 1 640 . 1 1 53 53 GLU HA H 1 4.007 0.030 . 1 . . . . . 125 GLU HA . 27436 1 641 . 1 1 53 53 GLU HB2 H 1 1.838 0.030 . 2 . . . . . 125 GLU HB2 . 27436 1 642 . 1 1 53 53 GLU HB3 H 1 1.551 0.030 . 2 . . . . . 125 GLU HB3 . 27436 1 643 . 1 1 53 53 GLU HG2 H 1 1.631 0.030 . 2 . . . . . 125 GLU HG2 . 27436 1 644 . 1 1 53 53 GLU HG3 H 1 2.025 0.030 . 2 . . . . . 125 GLU HG3 . 27436 1 645 . 1 1 53 53 GLU C C 13 177.409 0.300 . 1 . . . . . 125 GLU C . 27436 1 646 . 1 1 53 53 GLU CA C 13 57.945 0.300 . 1 . . . . . 125 GLU CA . 27436 1 647 . 1 1 53 53 GLU CB C 13 30.299 0.300 . 1 . . . . . 125 GLU CB . 27436 1 648 . 1 1 53 53 GLU CG C 13 35.860 0.300 . 1 . . . . . 125 GLU CG . 27436 1 649 . 1 1 53 53 GLU N N 15 117.116 0.300 . 1 . . . . . 125 GLU N . 27436 1 650 . 1 1 54 54 HIS H H 1 8.029 0.030 . 1 . . . . . 126 HIS H . 27436 1 651 . 1 1 54 54 HIS HA H 1 4.539 0.030 . 1 . . . . . 126 HIS HA . 27436 1 652 . 1 1 54 54 HIS HB2 H 1 2.591 0.030 . 2 . . . . . 126 HIS HB2 . 27436 1 653 . 1 1 54 54 HIS HB3 H 1 3.113 0.030 . 2 . . . . . 126 HIS HB3 . 27436 1 654 . 1 1 54 54 HIS HD2 H 1 6.448 0.030 . 1 . . . . . 126 HIS HD2 . 27436 1 655 . 1 1 54 54 HIS HE1 H 1 8.051 0.030 . 1 . . . . . 126 HIS HE1 . 27436 1 656 . 1 1 54 54 HIS C C 13 175.866 0.300 . 1 . . . . . 126 HIS C . 27436 1 657 . 1 1 54 54 HIS CA C 13 56.774 0.300 . 1 . . . . . 126 HIS CA . 27436 1 658 . 1 1 54 54 HIS CB C 13 30.142 0.300 . 1 . . . . . 126 HIS CB . 27436 1 659 . 1 1 54 54 HIS CD2 C 13 120.671 0.300 . 1 . . . . . 126 HIS CD2 . 27436 1 660 . 1 1 54 54 HIS CE1 C 13 137.096 0.300 . 1 . . . . . 126 HIS CE1 . 27436 1 661 . 1 1 54 54 HIS N N 15 114.732 0.300 . 1 . . . . . 126 HIS N . 27436 1 662 . 1 1 55 55 GLY H H 1 8.428 0.030 . 1 . . . . . 127 GLY H . 27436 1 663 . 1 1 55 55 GLY HA2 H 1 3.926 0.030 . 2 . . . . . 127 GLY HA2 . 27436 1 664 . 1 1 55 55 GLY HA3 H 1 3.851 0.030 . 2 . . . . . 127 GLY HA3 . 27436 1 665 . 1 1 55 55 GLY C C 13 174.114 0.300 . 1 . . . . . 127 GLY C . 27436 1 666 . 1 1 55 55 GLY CA C 13 45.845 0.300 . 1 . . . . . 127 GLY CA . 27436 1 667 . 1 1 55 55 GLY N N 15 109.940 0.300 . 1 . . . . . 127 GLY N . 27436 1 668 . 1 1 56 56 THR H H 1 7.931 0.030 . 1 . . . . . 128 THR H . 27436 1 669 . 1 1 56 56 THR HA H 1 4.533 0.030 . 1 . . . . . 128 THR HA . 27436 1 670 . 1 1 56 56 THR HB H 1 4.364 0.030 . 1 . . . . . 128 THR HB . 27436 1 671 . 1 1 56 56 THR HG21 H 1 1.250 0.030 . 1 . . . . . 128 THR HG2 . 27436 1 672 . 1 1 56 56 THR HG22 H 1 1.250 0.030 . 1 . . . . . 128 THR HG2 . 27436 1 673 . 1 1 56 56 THR HG23 H 1 1.250 0.030 . 1 . . . . . 128 THR HG2 . 27436 1 674 . 1 1 56 56 THR C C 13 174.372 0.300 . 1 . . . . . 128 THR C . 27436 1 675 . 1 1 56 56 THR CA C 13 61.300 0.300 . 1 . . . . . 128 THR CA . 27436 1 676 . 1 1 56 56 THR CB C 13 69.885 0.300 . 1 . . . . . 128 THR CB . 27436 1 677 . 1 1 56 56 THR CG2 C 13 21.264 0.300 . 1 . . . . . 128 THR CG2 . 27436 1 678 . 1 1 56 56 THR N N 15 112.509 0.300 . 1 . . . . . 128 THR N . 27436 1 679 . 1 1 57 57 SER H H 1 8.409 0.030 . 1 . . . . . 129 SER H . 27436 1 680 . 1 1 57 57 SER HA H 1 4.611 0.030 . 1 . . . . . 129 SER HA . 27436 1 681 . 1 1 57 57 SER HB2 H 1 3.930 0.030 . 2 . . . . . 129 SER HB2 . 27436 1 682 . 1 1 57 57 SER HB3 H 1 3.963 0.030 . 2 . . . . . 129 SER HB3 . 27436 1 683 . 1 1 57 57 SER C C 13 174.795 0.300 . 1 . . . . . 129 SER C . 27436 1 684 . 1 1 57 57 SER CA C 13 58.634 0.300 . 1 . . . . . 129 SER CA . 27436 1 685 . 1 1 57 57 SER CB C 13 64.037 0.300 . 1 . . . . . 129 SER CB . 27436 1 686 . 1 1 57 57 SER N N 15 117.619 0.300 . 1 . . . . . 129 SER N . 27436 1 687 . 1 1 58 58 LYS H H 1 8.490 0.030 . 1 . . . . . 130 LYS H . 27436 1 688 . 1 1 58 58 LYS HA H 1 4.244 0.030 . 1 . . . . . 130 LYS HA . 27436 1 689 . 1 1 58 58 LYS HB2 H 1 1.794 0.030 . 2 . . . . . 130 LYS HB2 . 27436 1 690 . 1 1 58 58 LYS HB3 H 1 1.642 0.030 . 2 . . . . . 130 LYS HB3 . 27436 1 691 . 1 1 58 58 LYS HG2 H 1 1.371 0.030 . 1 . . . . . 130 LYS HG2 . 27436 1 692 . 1 1 58 58 LYS HG3 H 1 1.371 0.030 . 1 . . . . . 130 LYS HG3 . 27436 1 693 . 1 1 58 58 LYS HD2 H 1 1.636 0.030 . 1 . . . . . 130 LYS HD2 . 27436 1 694 . 1 1 58 58 LYS HD3 H 1 1.636 0.030 . 1 . . . . . 130 LYS HD3 . 27436 1 695 . 1 1 58 58 LYS HE2 H 1 2.970 0.030 . 1 . . . . . 130 LYS HE2 . 27436 1 696 . 1 1 58 58 LYS HE3 H 1 2.970 0.030 . 1 . . . . . 130 LYS HE3 . 27436 1 697 . 1 1 58 58 LYS C C 13 176.737 0.300 . 1 . . . . . 130 LYS C . 27436 1 698 . 1 1 58 58 LYS CA C 13 56.554 0.300 . 1 . . . . . 130 LYS CA . 27436 1 699 . 1 1 58 58 LYS CB C 13 32.737 0.300 . 1 . . . . . 130 LYS CB . 27436 1 700 . 1 1 58 58 LYS CG C 13 24.778 0.300 . 1 . . . . . 130 LYS CG . 27436 1 701 . 1 1 58 58 LYS CD C 13 29.113 0.300 . 1 . . . . . 130 LYS CD . 27436 1 702 . 1 1 58 58 LYS CE C 13 42.164 0.300 . 1 . . . . . 130 LYS CE . 27436 1 703 . 1 1 58 58 LYS N N 15 123.804 0.300 . 1 . . . . . 130 LYS N . 27436 1 704 . 1 1 59 59 ARG H H 1 8.405 0.030 . 1 . . . . . 131 ARG H . 27436 1 705 . 1 1 59 59 ARG HA H 1 4.332 0.030 . 1 . . . . . 131 ARG HA . 27436 1 706 . 1 1 59 59 ARG HB2 H 1 1.862 0.030 . 2 . . . . . 131 ARG HB2 . 27436 1 707 . 1 1 59 59 ARG HB3 H 1 1.762 0.030 . 2 . . . . . 131 ARG HB3 . 27436 1 708 . 1 1 59 59 ARG HG2 H 1 1.613 0.030 . 1 . . . . . 131 ARG HG2 . 27436 1 709 . 1 1 59 59 ARG HG3 H 1 1.613 0.030 . 1 . . . . . 131 ARG HG3 . 27436 1 710 . 1 1 59 59 ARG HD2 H 1 3.162 0.030 . 1 . . . . . 131 ARG HD2 . 27436 1 711 . 1 1 59 59 ARG HD3 H 1 3.162 0.030 . 1 . . . . . 131 ARG HD3 . 27436 1 712 . 1 1 59 59 ARG C C 13 176.910 0.300 . 1 . . . . . 131 ARG C . 27436 1 713 . 1 1 59 59 ARG CA C 13 56.383 0.300 . 1 . . . . . 131 ARG CA . 27436 1 714 . 1 1 59 59 ARG CB C 13 30.844 0.300 . 1 . . . . . 131 ARG CB . 27436 1 715 . 1 1 59 59 ARG CG C 13 27.163 0.300 . 1 . . . . . 131 ARG CG . 27436 1 716 . 1 1 59 59 ARG CD C 13 43.394 0.300 . 1 . . . . . 131 ARG CD . 27436 1 717 . 1 1 59 59 ARG N N 15 122.807 0.300 . 1 . . . . . 131 ARG N . 27436 1 718 . 1 1 60 60 GLY H H 1 8.494 0.030 . 1 . . . . . 132 GLY H . 27436 1 719 . 1 1 60 60 GLY HA2 H 1 3.986 0.030 . 2 . . . . . 132 GLY HA2 . 27436 1 720 . 1 1 60 60 GLY HA3 H 1 4.025 0.030 . 2 . . . . . 132 GLY HA3 . 27436 1 721 . 1 1 60 60 GLY C C 13 174.314 0.300 . 1 . . . . . 132 GLY C . 27436 1 722 . 1 1 60 60 GLY CA C 13 45.336 0.300 . 1 . . . . . 132 GLY CA . 27436 1 723 . 1 1 60 60 GLY N N 15 110.354 0.300 . 1 . . . . . 132 GLY N . 27436 1 724 . 1 1 61 61 THR H H 1 8.112 0.030 . 1 . . . . . 133 THR H . 27436 1 725 . 1 1 61 61 THR HA H 1 4.331 0.030 . 1 . . . . . 133 THR HA . 27436 1 726 . 1 1 61 61 THR HB H 1 4.199 0.030 . 1 . . . . . 133 THR HB . 27436 1 727 . 1 1 61 61 THR HG21 H 1 1.191 0.030 . 1 . . . . . 133 THR HG2 . 27436 1 728 . 1 1 61 61 THR HG22 H 1 1.191 0.030 . 1 . . . . . 133 THR HG2 . 27436 1 729 . 1 1 61 61 THR HG23 H 1 1.191 0.030 . 1 . . . . . 133 THR HG2 . 27436 1 730 . 1 1 61 61 THR C C 13 174.589 0.300 . 1 . . . . . 133 THR C . 27436 1 731 . 1 1 61 61 THR CA C 13 61.867 0.300 . 1 . . . . . 133 THR CA . 27436 1 732 . 1 1 61 61 THR CB C 13 70.043 0.300 . 1 . . . . . 133 THR CB . 27436 1 733 . 1 1 61 61 THR CG2 C 13 21.705 0.300 . 1 . . . . . 133 THR CG2 . 27436 1 734 . 1 1 61 61 THR N N 15 113.937 0.300 . 1 . . . . . 133 THR N . 27436 1 735 . 1 1 62 62 LYS H H 1 8.411 0.030 . 1 . . . . . 134 LYS H . 27436 1 736 . 1 1 62 62 LYS HA H 1 4.314 0.030 . 1 . . . . . 134 LYS HA . 27436 1 737 . 1 1 62 62 LYS HB2 H 1 1.811 0.030 . 2 . . . . . 134 LYS HB2 . 27436 1 738 . 1 1 62 62 LYS HB3 H 1 1.745 0.030 . 2 . . . . . 134 LYS HB3 . 27436 1 739 . 1 1 62 62 LYS HG2 H 1 1.419 0.030 . 1 . . . . . 134 LYS HG2 . 27436 1 740 . 1 1 62 62 LYS HG3 H 1 1.419 0.030 . 1 . . . . . 134 LYS HG3 . 27436 1 741 . 1 1 62 62 LYS HD2 H 1 1.664 0.030 . 1 . . . . . 134 LYS HD2 . 27436 1 742 . 1 1 62 62 LYS HD3 H 1 1.664 0.030 . 1 . . . . . 134 LYS HD3 . 27436 1 743 . 1 1 62 62 LYS HE2 H 1 2.978 0.030 . 1 . . . . . 134 LYS HE2 . 27436 1 744 . 1 1 62 62 LYS HE3 H 1 2.978 0.030 . 1 . . . . . 134 LYS HE3 . 27436 1 745 . 1 1 62 62 LYS C C 13 176.422 0.300 . 1 . . . . . 134 LYS C . 27436 1 746 . 1 1 62 62 LYS CA C 13 56.383 0.300 . 1 . . . . . 134 LYS CA . 27436 1 747 . 1 1 62 62 LYS CB C 13 33.164 0.300 . 1 . . . . . 134 LYS CB . 27436 1 748 . 1 1 62 62 LYS CG C 13 24.732 0.300 . 1 . . . . . 134 LYS CG . 27436 1 749 . 1 1 62 62 LYS CD C 13 29.150 0.300 . 1 . . . . . 134 LYS CD . 27436 1 750 . 1 1 62 62 LYS CE C 13 42.161 0.300 . 1 . . . . . 134 LYS CE . 27436 1 751 . 1 1 62 62 LYS N N 15 124.294 0.300 . 1 . . . . . 134 LYS N . 27436 1 752 . 1 1 63 63 LYS H H 1 8.434 0.030 . 1 . . . . . 135 LYS H . 27436 1 753 . 1 1 63 63 LYS HA H 1 4.256 0.030 . 1 . . . . . 135 LYS HA . 27436 1 754 . 1 1 63 63 LYS HB2 H 1 1.815 0.030 . 2 . . . . . 135 LYS HB2 . 27436 1 755 . 1 1 63 63 LYS HB3 H 1 1.728 0.030 . 2 . . . . . 135 LYS HB3 . 27436 1 756 . 1 1 63 63 LYS HG2 H 1 1.414 0.030 . 1 . . . . . 135 LYS HG2 . 27436 1 757 . 1 1 63 63 LYS HG3 H 1 1.414 0.030 . 1 . . . . . 135 LYS HG3 . 27436 1 758 . 1 1 63 63 LYS HD2 H 1 1.656 0.030 . 1 . . . . . 135 LYS HD2 . 27436 1 759 . 1 1 63 63 LYS HD3 H 1 1.656 0.030 . 1 . . . . . 135 LYS HD3 . 27436 1 760 . 1 1 63 63 LYS HE2 H 1 2.977 0.030 . 1 . . . . . 135 LYS HE2 . 27436 1 761 . 1 1 63 63 LYS HE3 H 1 2.977 0.030 . 1 . . . . . 135 LYS HE3 . 27436 1 762 . 1 1 63 63 LYS C C 13 176.289 0.300 . 1 . . . . . 135 LYS C . 27436 1 763 . 1 1 63 63 LYS CA C 13 56.455 0.300 . 1 . . . . . 135 LYS CA . 27436 1 764 . 1 1 63 63 LYS CB C 13 33.185 0.300 . 1 . . . . . 135 LYS CB . 27436 1 765 . 1 1 63 63 LYS CG C 13 24.735 0.300 . 1 . . . . . 135 LYS CG . 27436 1 766 . 1 1 63 63 LYS CD C 13 29.141 0.300 . 1 . . . . . 135 LYS CD . 27436 1 767 . 1 1 63 63 LYS CE C 13 42.238 0.300 . 1 . . . . . 135 LYS CE . 27436 1 768 . 1 1 63 63 LYS N N 15 124.008 0.300 . 1 . . . . . 135 LYS N . 27436 1 769 . 1 1 64 64 ALA H H 1 8.439 0.030 . 1 . . . . . 136 ALA H . 27436 1 770 . 1 1 64 64 ALA HA H 1 4.285 0.030 . 1 . . . . . 136 ALA HA . 27436 1 771 . 1 1 64 64 ALA HB1 H 1 1.387 0.030 . 1 . . . . . 136 ALA HB . 27436 1 772 . 1 1 64 64 ALA HB2 H 1 1.387 0.030 . 1 . . . . . 136 ALA HB . 27436 1 773 . 1 1 64 64 ALA HB3 H 1 1.387 0.030 . 1 . . . . . 136 ALA HB . 27436 1 774 . 1 1 64 64 ALA C C 13 177.702 0.300 . 1 . . . . . 136 ALA C . 27436 1 775 . 1 1 64 64 ALA CA C 13 52.550 0.300 . 1 . . . . . 136 ALA CA . 27436 1 776 . 1 1 64 64 ALA CB C 13 19.234 0.300 . 1 . . . . . 136 ALA CB . 27436 1 777 . 1 1 64 64 ALA N N 15 125.976 0.300 . 1 . . . . . 136 ALA N . 27436 1 778 . 1 1 65 65 GLU H H 1 8.479 0.030 . 1 . . . . . 137 GLU H . 27436 1 779 . 1 1 65 65 GLU HA H 1 4.248 0.030 . 1 . . . . . 137 GLU HA . 27436 1 780 . 1 1 65 65 GLU HB2 H 1 1.909 0.030 . 2 . . . . . 137 GLU HB2 . 27436 1 781 . 1 1 65 65 GLU HB3 H 1 2.044 0.030 . 2 . . . . . 137 GLU HB3 . 27436 1 782 . 1 1 65 65 GLU HG2 H 1 2.267 0.030 . 1 . . . . . 137 GLU HG2 . 27436 1 783 . 1 1 65 65 GLU HG3 H 1 2.267 0.030 . 1 . . . . . 137 GLU HG3 . 27436 1 784 . 1 1 65 65 GLU C C 13 176.210 0.300 . 1 . . . . . 137 GLU C . 27436 1 785 . 1 1 65 65 GLU CA C 13 56.613 0.300 . 1 . . . . . 137 GLU CA . 27436 1 786 . 1 1 65 65 GLU CB C 13 30.376 0.300 . 1 . . . . . 137 GLU CB . 27436 1 787 . 1 1 65 65 GLU CG C 13 36.252 0.300 . 1 . . . . . 137 GLU CG . 27436 1 788 . 1 1 65 65 GLU N N 15 120.238 0.300 . 1 . . . . . 137 GLU N . 27436 1 789 . 1 1 66 66 ASN H H 1 8.482 0.030 . 1 . . . . . 138 ASN H . 27436 1 790 . 1 1 66 66 ASN HA H 1 4.704 0.030 . 1 . . . . . 138 ASN HA . 27436 1 791 . 1 1 66 66 ASN HB2 H 1 2.736 0.030 . 1 . . . . . 138 ASN HB2 . 27436 1 792 . 1 1 66 66 ASN HB3 H 1 2.736 0.030 . 1 . . . . . 138 ASN HB3 . 27436 1 793 . 1 1 66 66 ASN C C 13 174.982 0.300 . 1 . . . . . 138 ASN C . 27436 1 794 . 1 1 66 66 ASN CA C 13 53.320 0.300 . 1 . . . . . 138 ASN CA . 27436 1 795 . 1 1 66 66 ASN CB C 13 38.889 0.300 . 1 . . . . . 138 ASN CB . 27436 1 796 . 1 1 66 66 ASN N N 15 118.983 0.300 . 1 . . . . . 138 ASN N . 27436 1 797 . 1 1 67 67 THR H H 1 7.992 0.030 . 1 . . . . . 139 THR H . 27436 1 798 . 1 1 67 67 THR HA H 1 4.293 0.030 . 1 . . . . . 139 THR HA . 27436 1 799 . 1 1 67 67 THR HB H 1 4.183 0.030 . 1 . . . . . 139 THR HB . 27436 1 800 . 1 1 67 67 THR HG21 H 1 1.120 0.030 . 1 . . . . . 139 THR HG2 . 27436 1 801 . 1 1 67 67 THR HG22 H 1 1.120 0.030 . 1 . . . . . 139 THR HG2 . 27436 1 802 . 1 1 67 67 THR HG23 H 1 1.120 0.030 . 1 . . . . . 139 THR HG2 . 27436 1 803 . 1 1 67 67 THR C C 13 173.218 0.300 . 1 . . . . . 139 THR C . 27436 1 804 . 1 1 67 67 THR CA C 13 61.691 0.300 . 1 . . . . . 139 THR CA . 27436 1 805 . 1 1 67 67 THR CB C 13 69.937 0.300 . 1 . . . . . 139 THR CB . 27436 1 806 . 1 1 67 67 THR CG2 C 13 21.512 0.300 . 1 . . . . . 139 THR CG2 . 27436 1 807 . 1 1 67 67 THR N N 15 113.730 0.300 . 1 . . . . . 139 THR N . 27436 1 808 . 1 1 68 68 TYR H H 1 7.776 0.030 . 1 . . . . . 140 TYR H . 27436 1 809 . 1 1 68 68 TYR HA H 1 4.394 0.030 . 1 . . . . . 140 TYR HA . 27436 1 810 . 1 1 68 68 TYR HB2 H 1 2.876 0.030 . 2 . . . . . 140 TYR HB2 . 27436 1 811 . 1 1 68 68 TYR HB3 H 1 3.079 0.030 . 2 . . . . . 140 TYR HB3 . 27436 1 812 . 1 1 68 68 TYR HD1 H 1 7.097 0.030 . 1 . . . . . 140 TYR HD1 . 27436 1 813 . 1 1 68 68 TYR HD2 H 1 7.097 0.030 . 1 . . . . . 140 TYR HD2 . 27436 1 814 . 1 1 68 68 TYR HE1 H 1 6.799 0.030 . 1 . . . . . 140 TYR HE1 . 27436 1 815 . 1 1 68 68 TYR HE2 H 1 6.799 0.030 . 1 . . . . . 140 TYR HE2 . 27436 1 816 . 1 1 68 68 TYR C C 13 180.437 0.300 . 1 . . . . . 140 TYR C . 27436 1 817 . 1 1 68 68 TYR CA C 13 59.255 0.300 . 1 . . . . . 140 TYR CA . 27436 1 818 . 1 1 68 68 TYR CB C 13 39.426 0.300 . 1 . . . . . 140 TYR CB . 27436 1 819 . 1 1 68 68 TYR CD1 C 13 133.372 0.300 . 1 . . . . . 140 TYR CD1 . 27436 1 820 . 1 1 68 68 TYR CD2 C 13 133.372 0.300 . 1 . . . . . 140 TYR CD2 . 27436 1 821 . 1 1 68 68 TYR CE1 C 13 118.039 0.300 . 1 . . . . . 140 TYR CE1 . 27436 1 822 . 1 1 68 68 TYR CE2 C 13 118.039 0.300 . 1 . . . . . 140 TYR CE2 . 27436 1 823 . 1 1 68 68 TYR N N 15 126.895 0.300 . 1 . . . . . 140 TYR N . 27436 1 stop_ save_