data_27643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27643 _Entry.Title ; Chemical shifts of the WH domain of human ORC2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-09 _Entry.Accession_date 2018-10-09 _Entry.Last_release_date 2018-10-09 _Entry.Original_release_date 2018-10-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shifts of the WH domain of human ORC2' _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 Jiahai Zhang . . . . 27643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 27643 '15N chemical shifts' 114 27643 '1H chemical shifts' 715 27643 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 . . 2019-08-27 2018-10-09 update BMRB 'update entry citation' 27643 1 . . 2018-11-08 2018-10-09 original author 'original release' 27643 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27643 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30963726 _Citation.Full_citation . _Citation.Title ; Structural insight into the unique dsDNA binding topology of the human ORC2 wing helix domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 286 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _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 2726 _Citation.Page_last 2736 _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 Jiahai Zhang J. . . . 27643 1 2 Qiong Guo Q. . . . 27643 1 3 Jun Gao J. . . . 27643 1 4 Chao Xu C. . . . 27643 1 5 Beibei Zhang B. . . . 27643 1 6 Mingwei Li M. . . . 27643 1 7 Jiaqi She J. . . . 27643 1 8 Yunyu Shi Y. . . . 27643 1 9 Zhiyong Zhang Z. . . . 27643 1 10 Ke Ruan K. . . . 27643 1 11 Jihui Wu J. . . . 27643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27643 _Assembly.ID 1 _Assembly.Name 'WH DOmain of ORC2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'WH DOmain of ORC2' 1 $WH_Domain_of_Human_ORC2 A . yes native no no . . . 27643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WH_Domain_of_Human_ORC2 _Entity.Sf_category entity _Entity.Sf_framecode WH_Domain_of_Human_ORC2 _Entity.Entry_ID 27643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WH_Domain_of_Human_ORC2 _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 ; SLPLSSLTHVLRSLTPNARG IFRLLIKYQLDNQDNPSYIG LSFQDFYQQCREAFLVNSDL TLRAQLTEFRDHKLIRTKKG TDGVEYLLIPVDNGTLTDFL EKEEEEA ; _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 107 _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 . SER . 27643 1 2 . LEU . 27643 1 3 . PRO . 27643 1 4 . LEU . 27643 1 5 . SER . 27643 1 6 . SER . 27643 1 7 . LEU . 27643 1 8 . THR . 27643 1 9 . HIS . 27643 1 10 . VAL . 27643 1 11 . LEU . 27643 1 12 . ARG . 27643 1 13 . SER . 27643 1 14 . LEU . 27643 1 15 . THR . 27643 1 16 . PRO . 27643 1 17 . ASN . 27643 1 18 . ALA . 27643 1 19 . ARG . 27643 1 20 . GLY . 27643 1 21 . ILE . 27643 1 22 . PHE . 27643 1 23 . ARG . 27643 1 24 . LEU . 27643 1 25 . LEU . 27643 1 26 . ILE . 27643 1 27 . LYS . 27643 1 28 . TYR . 27643 1 29 . GLN . 27643 1 30 . LEU . 27643 1 31 . ASP . 27643 1 32 . ASN . 27643 1 33 . GLN . 27643 1 34 . ASP . 27643 1 35 . ASN . 27643 1 36 . PRO . 27643 1 37 . SER . 27643 1 38 . TYR . 27643 1 39 . ILE . 27643 1 40 . GLY . 27643 1 41 . LEU . 27643 1 42 . SER . 27643 1 43 . PHE . 27643 1 44 . GLN . 27643 1 45 . ASP . 27643 1 46 . PHE . 27643 1 47 . TYR . 27643 1 48 . GLN . 27643 1 49 . GLN . 27643 1 50 . CYS . 27643 1 51 . ARG . 27643 1 52 . GLU . 27643 1 53 . ALA . 27643 1 54 . PHE . 27643 1 55 . LEU . 27643 1 56 . VAL . 27643 1 57 . ASN . 27643 1 58 . SER . 27643 1 59 . ASP . 27643 1 60 . LEU . 27643 1 61 . THR . 27643 1 62 . LEU . 27643 1 63 . ARG . 27643 1 64 . ALA . 27643 1 65 . GLN . 27643 1 66 . LEU . 27643 1 67 . THR . 27643 1 68 . GLU . 27643 1 69 . PHE . 27643 1 70 . ARG . 27643 1 71 . ASP . 27643 1 72 . HIS . 27643 1 73 . LYS . 27643 1 74 . LEU . 27643 1 75 . ILE . 27643 1 76 . ARG . 27643 1 77 . THR . 27643 1 78 . LYS . 27643 1 79 . LYS . 27643 1 80 . GLY . 27643 1 81 . THR . 27643 1 82 . ASP . 27643 1 83 . GLY . 27643 1 84 . VAL . 27643 1 85 . GLU . 27643 1 86 . TYR . 27643 1 87 . LEU . 27643 1 88 . LEU . 27643 1 89 . ILE . 27643 1 90 . PRO . 27643 1 91 . VAL . 27643 1 92 . ASP . 27643 1 93 . ASN . 27643 1 94 . GLY . 27643 1 95 . THR . 27643 1 96 . LEU . 27643 1 97 . THR . 27643 1 98 . ASP . 27643 1 99 . PHE . 27643 1 100 . LEU . 27643 1 101 . GLU . 27643 1 102 . LYS . 27643 1 103 . GLU . 27643 1 104 . GLU . 27643 1 105 . GLU . 27643 1 106 . GLU . 27643 1 107 . ALA . 27643 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27643 1 . LEU 2 2 27643 1 . PRO 3 3 27643 1 . LEU 4 4 27643 1 . SER 5 5 27643 1 . SER 6 6 27643 1 . LEU 7 7 27643 1 . THR 8 8 27643 1 . HIS 9 9 27643 1 . VAL 10 10 27643 1 . LEU 11 11 27643 1 . ARG 12 12 27643 1 . SER 13 13 27643 1 . LEU 14 14 27643 1 . THR 15 15 27643 1 . PRO 16 16 27643 1 . ASN 17 17 27643 1 . ALA 18 18 27643 1 . ARG 19 19 27643 1 . GLY 20 20 27643 1 . ILE 21 21 27643 1 . PHE 22 22 27643 1 . ARG 23 23 27643 1 . LEU 24 24 27643 1 . LEU 25 25 27643 1 . ILE 26 26 27643 1 . LYS 27 27 27643 1 . TYR 28 28 27643 1 . GLN 29 29 27643 1 . LEU 30 30 27643 1 . ASP 31 31 27643 1 . ASN 32 32 27643 1 . GLN 33 33 27643 1 . ASP 34 34 27643 1 . ASN 35 35 27643 1 . PRO 36 36 27643 1 . SER 37 37 27643 1 . TYR 38 38 27643 1 . ILE 39 39 27643 1 . GLY 40 40 27643 1 . LEU 41 41 27643 1 . SER 42 42 27643 1 . PHE 43 43 27643 1 . GLN 44 44 27643 1 . ASP 45 45 27643 1 . PHE 46 46 27643 1 . TYR 47 47 27643 1 . GLN 48 48 27643 1 . GLN 49 49 27643 1 . CYS 50 50 27643 1 . ARG 51 51 27643 1 . GLU 52 52 27643 1 . ALA 53 53 27643 1 . PHE 54 54 27643 1 . LEU 55 55 27643 1 . VAL 56 56 27643 1 . ASN 57 57 27643 1 . SER 58 58 27643 1 . ASP 59 59 27643 1 . LEU 60 60 27643 1 . THR 61 61 27643 1 . LEU 62 62 27643 1 . ARG 63 63 27643 1 . ALA 64 64 27643 1 . GLN 65 65 27643 1 . LEU 66 66 27643 1 . THR 67 67 27643 1 . GLU 68 68 27643 1 . PHE 69 69 27643 1 . ARG 70 70 27643 1 . ASP 71 71 27643 1 . HIS 72 72 27643 1 . LYS 73 73 27643 1 . LEU 74 74 27643 1 . ILE 75 75 27643 1 . ARG 76 76 27643 1 . THR 77 77 27643 1 . LYS 78 78 27643 1 . LYS 79 79 27643 1 . GLY 80 80 27643 1 . THR 81 81 27643 1 . ASP 82 82 27643 1 . GLY 83 83 27643 1 . VAL 84 84 27643 1 . GLU 85 85 27643 1 . TYR 86 86 27643 1 . LEU 87 87 27643 1 . LEU 88 88 27643 1 . ILE 89 89 27643 1 . PRO 90 90 27643 1 . VAL 91 91 27643 1 . ASP 92 92 27643 1 . ASN 93 93 27643 1 . GLY 94 94 27643 1 . THR 95 95 27643 1 . LEU 96 96 27643 1 . THR 97 97 27643 1 . ASP 98 98 27643 1 . PHE 99 99 27643 1 . LEU 100 100 27643 1 . GLU 101 101 27643 1 . LYS 102 102 27643 1 . GLU 103 103 27643 1 . GLU 104 104 27643 1 . GLU 105 105 27643 1 . GLU 106 106 27643 1 . ALA 107 107 27643 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 27643 _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 $WH_Domain_of_Human_ORC2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27643 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 27643 _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 $WH_Domain_of_Human_ORC2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . peT28-MHL . . . 27643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27643 _Sample.ID 1 _Sample.Name . _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 WH_Domain_of_Human_ORC2 '[U-99% 13C; U-99% 15N]' . . 1 $WH_Domain_of_Human_ORC2 . . 0.8 . . mM . . . . 27643 1 2 'phosphate sodium' 'natural abundance' . . . . . . 50 . . mM . . . . 27643 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27643 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 27643 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27643 1 pH 6.5 . pH 27643 1 pressure 1 . atm 27643 1 temperature 298 . K 27643 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27643 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27643 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27643 1 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 27643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27643 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 27643 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 27643 _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 . . . . . . . . . . . . . . . . 27643 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27643 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 27643 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 27643 1 H 1 water protons . . . . ppm 4.680 internal direct 1.000000000 . . . . . 27643 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . 27643 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 27643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27643 1 2 '3D HNCACB' . . . 27643 1 3 '3D CBCA(CO)NH' . . . 27643 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 1 1 SER H H 1 7.946 0 . . . . . . . 1 SER H . 27643 1 2 . 1 1 1 1 SER HA H 1 4.571 0 . . . . . . . 1 SER HA . 27643 1 3 . 1 1 1 1 SER HB2 H 1 3.859 0 . . . . . . . 1 SER HB2 . 27643 1 4 . 1 1 1 1 SER HB3 H 1 4.571 0 . . . . . . . 1 SER HB3 . 27643 1 5 . 1 1 1 1 SER C C 13 174.253 0 . . . . . . . 1 SER C . 27643 1 6 . 1 1 1 1 SER CA C 13 57.71 0 . . . . . . . 1 SER CA . 27643 1 7 . 1 1 1 1 SER CB C 13 63.696 0 . . . . . . . 1 SER CB . 27643 1 8 . 1 1 1 1 SER N N 15 122.224 0.01 . . . . . . . 1 SER N . 27643 1 9 . 1 1 2 2 LEU H H 1 8.377 0 . . . . . . . 2 LEU H . 27643 1 10 . 1 1 2 2 LEU CA C 13 53.656 0 . . . . . . . 2 LEU CA . 27643 1 11 . 1 1 2 2 LEU CB C 13 42.566 0 . . . . . . . 2 LEU CB . 27643 1 12 . 1 1 2 2 LEU N N 15 127.106 0 . . . . . . . 2 LEU N . 27643 1 13 . 1 1 3 3 PRO HA H 1 4.554 0 . . . . . . . 3 PRO HA . 27643 1 14 . 1 1 3 3 PRO HB2 H 1 2.037 0 . . . . . . . 3 PRO HB2 . 27643 1 15 . 1 1 3 3 PRO HB3 H 1 2.405 0 . . . . . . . 3 PRO HB3 . 27643 1 16 . 1 1 3 3 PRO HG2 H 1 2.045 0.01 . . . . . . . 3 PRO HG2 . 27643 1 17 . 1 1 3 3 PRO HG3 H 1 2.409 0.01 . . . . . . . 3 PRO HG3 . 27643 1 18 . 1 1 3 3 PRO HD2 H 1 3.673 0 . . . . . . . 3 PRO HD2 . 27643 1 19 . 1 1 3 3 PRO HD3 H 1 3.944 0 . . . . . . . 3 PRO HD3 . 27643 1 20 . 1 1 3 3 PRO C C 13 177.379 0 . . . . . . . 3 PRO C . 27643 1 21 . 1 1 3 3 PRO CA C 13 62.591 0 . . . . . . . 3 PRO CA . 27643 1 22 . 1 1 3 3 PRO CB C 13 31.947 0 . . . . . . . 3 PRO CB . 27643 1 23 . 1 1 3 3 PRO CG C 13 27.335 0 . . . . . . . 3 PRO CG . 27643 1 24 . 1 1 3 3 PRO CD C 13 50.474 0 . . . . . . . 3 PRO CD . 27643 1 25 . 1 1 4 4 LEU H H 1 8.78 0 . . . . . . . 4 LEU H . 27643 1 26 . 1 1 4 4 LEU HA H 1 3.976 0 . . . . . . . 4 LEU HA . 27643 1 27 . 1 1 4 4 LEU HB2 H 1 0.983 0.01 . . . . . . . 4 LEU HB2 . 27643 1 28 . 1 1 4 4 LEU HB3 H 1 1.09 0 . . . . . . . 4 LEU HB3 . 27643 1 29 . 1 1 4 4 LEU HG H 1 1.087 0.01 . . . . . . . 4 LEU HG . 27643 1 30 . 1 1 4 4 LEU HD11 H 1 0.985 0.01 . . . . . . . 4 LEU QD1 . 27643 1 31 . 1 1 4 4 LEU HD12 H 1 0.985 0.01 . . . . . . . 4 LEU QD1 . 27643 1 32 . 1 1 4 4 LEU HD13 H 1 0.985 0.01 . . . . . . . 4 LEU QD1 . 27643 1 33 . 1 1 4 4 LEU HD21 H 1 0.986 0.01 . . . . . . . 4 LEU QD2 . 27643 1 34 . 1 1 4 4 LEU HD22 H 1 0.986 0.01 . . . . . . . 4 LEU QD2 . 27643 1 35 . 1 1 4 4 LEU HD23 H 1 0.986 0.01 . . . . . . . 4 LEU QD2 . 27643 1 36 . 1 1 4 4 LEU C C 13 178.802 0 . . . . . . . 4 LEU C . 27643 1 37 . 1 1 4 4 LEU CA C 13 57.896 0 . . . . . . . 4 LEU CA . 27643 1 38 . 1 1 4 4 LEU CB C 13 41.16 0 . . . . . . . 4 LEU CB . 27643 1 39 . 1 1 4 4 LEU N N 15 123.383 0 . . . . . . . 4 LEU N . 27643 1 40 . 1 1 5 5 SER H H 1 8.739 0 . . . . . . . 5 SER H . 27643 1 41 . 1 1 5 5 SER HA H 1 4.208 0.01 . . . . . . . 5 SER HA . 27643 1 42 . 1 1 5 5 SER HB2 H 1 3.913 0.01 . . . . . . . 5 SER HB2 . 27643 1 43 . 1 1 5 5 SER HB3 H 1 4.209 0.01 . . . . . . . 5 SER HB3 . 27643 1 44 . 1 1 5 5 SER C C 13 175.181 0.01 . . . . . . . 5 SER C . 27643 1 45 . 1 1 5 5 SER CA C 13 60.636 0 . . . . . . . 5 SER CA . 27643 1 46 . 1 1 5 5 SER CB C 13 61.804 0 . . . . . . . 5 SER CB . 27643 1 47 . 1 1 5 5 SER N N 15 115.068 0 . . . . . . . 5 SER N . 27643 1 48 . 1 1 6 6 SER H H 1 7.507 0.01 . . . . . . . 6 SER H . 27643 1 49 . 1 1 6 6 SER HA H 1 4.431 0.01 . . . . . . . 6 SER HA . 27643 1 50 . 1 1 6 6 SER HB2 H 1 4.013 0.01 . . . . . . . 6 SER HB2 . 27643 1 51 . 1 1 6 6 SER HB3 H 1 4.431 0.01 . . . . . . . 6 SER HB3 . 27643 1 52 . 1 1 6 6 SER C C 13 175.313 0 . . . . . . . 6 SER C . 27643 1 53 . 1 1 6 6 SER CA C 13 60.9 0 . . . . . . . 6 SER CA . 27643 1 54 . 1 1 6 6 SER CB C 13 62.699 0.01 . . . . . . . 6 SER CB . 27643 1 55 . 1 1 6 6 SER N N 15 119.265 0 . . . . . . . 6 SER N . 27643 1 56 . 1 1 7 7 LEU H H 1 8.156 0.01 . . . . . . . 7 LEU H . 27643 1 57 . 1 1 7 7 LEU HA H 1 3.825 0 . . . . . . . 7 LEU HA . 27643 1 58 . 1 1 7 7 LEU HB2 H 1 1.403 0 . . . . . . . 7 LEU HB2 . 27643 1 59 . 1 1 7 7 LEU HB3 H 1 1.706 0 . . . . . . . 7 LEU HB3 . 27643 1 60 . 1 1 7 7 LEU HG H 1 1.404 0.01 . . . . . . . 7 LEU HG . 27643 1 61 . 1 1 7 7 LEU HD11 H 1 0.572 0 . . . . . . . 7 LEU QD1 . 27643 1 62 . 1 1 7 7 LEU HD12 H 1 0.572 0 . . . . . . . 7 LEU QD1 . 27643 1 63 . 1 1 7 7 LEU HD13 H 1 0.572 0 . . . . . . . 7 LEU QD1 . 27643 1 64 . 1 1 7 7 LEU HD21 H 1 1.158 0 . . . . . . . 7 LEU QD2 . 27643 1 65 . 1 1 7 7 LEU HD22 H 1 1.158 0 . . . . . . . 7 LEU QD2 . 27643 1 66 . 1 1 7 7 LEU HD23 H 1 1.158 0 . . . . . . . 7 LEU QD2 . 27643 1 67 . 1 1 7 7 LEU C C 13 177.623 0 . . . . . . . 7 LEU C . 27643 1 68 . 1 1 7 7 LEU CA C 13 58.063 0 . . . . . . . 7 LEU CA . 27643 1 69 . 1 1 7 7 LEU CB C 13 41.833 0 . . . . . . . 7 LEU CB . 27643 1 70 . 1 1 7 7 LEU CG C 13 25.897 0 . . . . . . . 7 LEU CG . 27643 1 71 . 1 1 7 7 LEU CD1 C 13 23.825 0 . . . . . . . 7 LEU CD1 . 27643 1 72 . 1 1 7 7 LEU CD2 C 13 25.897 0.01 . . . . . . . 7 LEU CD2 . 27643 1 73 . 1 1 7 7 LEU N N 15 123.735 0 . . . . . . . 7 LEU N . 27643 1 74 . 1 1 8 8 THR H H 1 8.457 0 . . . . . . . 8 THR H . 27643 1 75 . 1 1 8 8 THR HA H 1 3.821 0.01 . . . . . . . 8 THR HA . 27643 1 76 . 1 1 8 8 THR HB H 1 3.821 0.01 . . . . . . . 8 THR HB . 27643 1 77 . 1 1 8 8 THR HG21 H 1 1.276 0 . . . . . . . 8 THR QG2 . 27643 1 78 . 1 1 8 8 THR HG22 H 1 1.276 0 . . . . . . . 8 THR QG2 . 27643 1 79 . 1 1 8 8 THR HG23 H 1 1.276 0 . . . . . . . 8 THR QG2 . 27643 1 80 . 1 1 8 8 THR C C 13 175.939 0 . . . . . . . 8 THR C . 27643 1 81 . 1 1 8 8 THR CA C 13 66.818 0 . . . . . . . 8 THR CA . 27643 1 82 . 1 1 8 8 THR CB C 13 68.374 0.01 . . . . . . . 8 THR CB . 27643 1 83 . 1 1 8 8 THR CG2 C 13 21.206 0 . . . . . . . 8 THR CG2 . 27643 1 84 . 1 1 8 8 THR N N 15 113.257 0 . . . . . . . 8 THR N . 27643 1 85 . 1 1 9 9 HIS H H 1 7.759 0 . . . . . . . 9 HIS H . 27643 1 86 . 1 1 9 9 HIS HA H 1 4.2 0.01 . . . . . . . 9 HIS HA . 27643 1 87 . 1 1 9 9 HIS HB2 H 1 3.058 0.01 . . . . . . . 9 HIS HB2 . 27643 1 88 . 1 1 9 9 HIS HB3 H 1 3.253 0.01 . . . . . . . 9 HIS HB3 . 27643 1 89 . 1 1 9 9 HIS C C 13 177.887 0.01 . . . . . . . 9 HIS C . 27643 1 90 . 1 1 9 9 HIS CA C 13 59.774 0 . . . . . . . 9 HIS CA . 27643 1 91 . 1 1 9 9 HIS CB C 13 29.898 0 . . . . . . . 9 HIS CB . 27643 1 92 . 1 1 9 9 HIS N N 15 120.634 0 . . . . . . . 9 HIS N . 27643 1 93 . 1 1 10 10 VAL H H 1 8.024 0 . . . . . . . 10 VAL H . 27643 1 94 . 1 1 10 10 VAL HA H 1 3.518 0 . . . . . . . 10 VAL HA . 27643 1 95 . 1 1 10 10 VAL HB H 1 1.942 0 . . . . . . . 10 VAL HB . 27643 1 96 . 1 1 10 10 VAL HG11 H 1 0.583 0 . . . . . . . 10 VAL QG1 . 27643 1 97 . 1 1 10 10 VAL HG12 H 1 0.583 0 . . . . . . . 10 VAL QG1 . 27643 1 98 . 1 1 10 10 VAL HG13 H 1 0.583 0 . . . . . . . 10 VAL QG1 . 27643 1 99 . 1 1 10 10 VAL HG21 H 1 1.008 0 . . . . . . . 10 VAL QG2 . 27643 1 100 . 1 1 10 10 VAL HG22 H 1 1.008 0 . . . . . . . 10 VAL QG2 . 27643 1 101 . 1 1 10 10 VAL HG23 H 1 1.008 0 . . . . . . . 10 VAL QG2 . 27643 1 102 . 1 1 10 10 VAL C C 13 179.257 0 . . . . . . . 10 VAL C . 27643 1 103 . 1 1 10 10 VAL CA C 13 65.694 0 . . . . . . . 10 VAL CA . 27643 1 104 . 1 1 10 10 VAL CB C 13 31.058 0 . . . . . . . 10 VAL CB . 27643 1 105 . 1 1 10 10 VAL CG1 C 13 21.031 0 . . . . . . . 10 VAL CG1 . 27643 1 106 . 1 1 10 10 VAL CG2 C 13 21.675 0 . . . . . . . 10 VAL CG2 . 27643 1 107 . 1 1 10 10 VAL N N 15 118.95 0 . . . . . . . 10 VAL N . 27643 1 108 . 1 1 11 11 LEU H H 1 8.123 0 . . . . . . . 11 LEU H . 27643 1 109 . 1 1 11 11 LEU HA H 1 3.724 0 . . . . . . . 11 LEU HA . 27643 1 110 . 1 1 11 11 LEU HB2 H 1 1.26 0 . . . . . . . 11 LEU HB2 . 27643 1 111 . 1 1 11 11 LEU HB3 H 1 1.83 0 . . . . . . . 11 LEU HB3 . 27643 1 112 . 1 1 11 11 LEU HG H 1 1.43 0 . . . . . . . 11 LEU HG . 27643 1 113 . 1 1 11 11 LEU HD11 H 1 0.2 0 . . . . . . . 11 LEU QD1 . 27643 1 114 . 1 1 11 11 LEU HD12 H 1 0.2 0 . . . . . . . 11 LEU QD1 . 27643 1 115 . 1 1 11 11 LEU HD13 H 1 0.2 0 . . . . . . . 11 LEU QD1 . 27643 1 116 . 1 1 11 11 LEU HD21 H 1 0.309 0.01 . . . . . . . 11 LEU QD2 . 27643 1 117 . 1 1 11 11 LEU HD22 H 1 0.309 0.01 . . . . . . . 11 LEU QD2 . 27643 1 118 . 1 1 11 11 LEU HD23 H 1 0.309 0.01 . . . . . . . 11 LEU QD2 . 27643 1 119 . 1 1 11 11 LEU C C 13 179.754 0 . . . . . . . 11 LEU C . 27643 1 120 . 1 1 11 11 LEU CA C 13 57.59 0 . . . . . . . 11 LEU CA . 27643 1 121 . 1 1 11 11 LEU CB C 13 40.251 0 . . . . . . . 11 LEU CB . 27643 1 122 . 1 1 11 11 LEU CG C 13 26.305 0.01 . . . . . . . 11 LEU CG . 27643 1 123 . 1 1 11 11 LEU CD1 C 13 22.618 0.01 . . . . . . . 11 LEU CD1 . 27643 1 124 . 1 1 11 11 LEU CD2 C 13 25.313 0.01 . . . . . . . 11 LEU CD2 . 27643 1 125 . 1 1 11 11 LEU N N 15 121.127 0 . . . . . . . 11 LEU N . 27643 1 126 . 1 1 12 12 ARG H H 1 8.147 0 . . . . . . . 12 ARG H . 27643 1 127 . 1 1 12 12 ARG HA H 1 4.019 0 . . . . . . . 12 ARG HA . 27643 1 128 . 1 1 12 12 ARG HB2 H 1 1.887 0 . . . . . . . 12 ARG HB2 . 27643 1 129 . 1 1 12 12 ARG HB3 H 1 1.887 0 . . . . . . . 12 ARG HB3 . 27643 1 130 . 1 1 12 12 ARG HG2 H 1 1.71 0 . . . . . . . 12 ARG HG2 . 27643 1 131 . 1 1 12 12 ARG HG3 H 1 1.71 0.01 . . . . . . . 12 ARG HG3 . 27643 1 132 . 1 1 12 12 ARG HD2 H 1 3.121 0 . . . . . . . 12 ARG HD2 . 27643 1 133 . 1 1 12 12 ARG HD3 H 1 3.121 0 . . . . . . . 12 ARG HD3 . 27643 1 134 . 1 1 12 12 ARG C C 13 176.546 0 . . . . . . . 12 ARG C . 27643 1 135 . 1 1 12 12 ARG CA C 13 58.562 0 . . . . . . . 12 ARG CA . 27643 1 136 . 1 1 12 12 ARG CB C 13 29.607 0 . . . . . . . 12 ARG CB . 27643 1 137 . 1 1 12 12 ARG CG C 13 27.09 0 . . . . . . . 12 ARG CG . 27643 1 138 . 1 1 12 12 ARG CD C 13 43.184 0 . . . . . . . 12 ARG CD . 27643 1 139 . 1 1 12 12 ARG N N 15 118.374 0 . . . . . . . 12 ARG N . 27643 1 140 . 1 1 13 13 SER H H 1 7.423 0 . . . . . . . 13 SER H . 27643 1 141 . 1 1 13 13 SER HA H 1 4.429 0 . . . . . . . 13 SER HA . 27643 1 142 . 1 1 13 13 SER HB2 H 1 3.815 0 . . . . . . . 13 SER HB2 . 27643 1 143 . 1 1 13 13 SER HB3 H 1 3.985 0 . . . . . . . 13 SER HB3 . 27643 1 144 . 1 1 13 13 SER C C 13 173.891 0 . . . . . . . 13 SER C . 27643 1 145 . 1 1 13 13 SER CA C 13 59.029 0 . . . . . . . 13 SER CA . 27643 1 146 . 1 1 13 13 SER CB C 13 63.913 0 . . . . . . . 13 SER CB . 27643 1 147 . 1 1 13 13 SER N N 15 113.994 0 . . . . . . . 13 SER N . 27643 1 148 . 1 1 14 14 LEU H H 1 7.107 0 . . . . . . . 14 LEU H . 27643 1 149 . 1 1 14 14 LEU HA H 1 4.636 0 . . . . . . . 14 LEU HA . 27643 1 150 . 1 1 14 14 LEU HB2 H 1 1.747 0.01 . . . . . . . 14 LEU HB2 . 27643 1 151 . 1 1 14 14 LEU HB3 H 1 1.746 0.01 . . . . . . . 14 LEU HB3 . 27643 1 152 . 1 1 14 14 LEU HG H 1 1.839 0.01 . . . . . . . 14 LEU HG . 27643 1 153 . 1 1 14 14 LEU HD11 H 1 0.562 0 . . . . . . . 14 LEU QD1 . 27643 1 154 . 1 1 14 14 LEU HD12 H 1 0.562 0 . . . . . . . 14 LEU QD1 . 27643 1 155 . 1 1 14 14 LEU HD13 H 1 0.562 0 . . . . . . . 14 LEU QD1 . 27643 1 156 . 1 1 14 14 LEU HD21 H 1 0.642 0 . . . . . . . 14 LEU QD2 . 27643 1 157 . 1 1 14 14 LEU HD22 H 1 0.642 0 . . . . . . . 14 LEU QD2 . 27643 1 158 . 1 1 14 14 LEU HD23 H 1 0.642 0 . . . . . . . 14 LEU QD2 . 27643 1 159 . 1 1 14 14 LEU C C 13 176.24 0 . . . . . . . 14 LEU C . 27643 1 160 . 1 1 14 14 LEU CA C 13 53.29 0 . . . . . . . 14 LEU CA . 27643 1 161 . 1 1 14 14 LEU CB C 13 41.259 0 . . . . . . . 14 LEU CB . 27643 1 162 . 1 1 14 14 LEU CG C 13 25.434 0 . . . . . . . 14 LEU CG . 27643 1 163 . 1 1 14 14 LEU CD1 C 13 20.488 0 . . . . . . . 14 LEU CD1 . 27643 1 164 . 1 1 14 14 LEU CD2 C 13 25.448 0.01 . . . . . . . 14 LEU CD2 . 27643 1 165 . 1 1 14 14 LEU N N 15 122.465 0 . . . . . . . 14 LEU N . 27643 1 166 . 1 1 15 15 THR H H 1 8.069 0 . . . . . . . 15 THR H . 27643 1 167 . 1 1 15 15 THR CA C 13 60.387 0 . . . . . . . 15 THR CA . 27643 1 168 . 1 1 15 15 THR CB C 13 68.788 0 . . . . . . . 15 THR CB . 27643 1 169 . 1 1 15 15 THR N N 15 111.139 0 . . . . . . . 15 THR N . 27643 1 170 . 1 1 16 16 PRO HA H 1 4.202 0 . . . . . . . 16 PRO HA . 27643 1 171 . 1 1 16 16 PRO HB2 H 1 2.018 0.01 . . . . . . . 16 PRO HB2 . 27643 1 172 . 1 1 16 16 PRO HB3 H 1 2.442 0.01 . . . . . . . 16 PRO HB3 . 27643 1 173 . 1 1 16 16 PRO HG2 H 1 2.018 0 . . . . . . . 16 PRO HG2 . 27643 1 174 . 1 1 16 16 PRO HG3 H 1 2.442 0.01 . . . . . . . 16 PRO HG3 . 27643 1 175 . 1 1 16 16 PRO HD2 H 1 4.206 0.01 . . . . . . . 16 PRO HD2 . 27643 1 176 . 1 1 16 16 PRO HD3 H 1 4.206 0.01 . . . . . . . 16 PRO HD3 . 27643 1 177 . 1 1 16 16 PRO C C 13 180.151 0 . . . . . . . 16 PRO C . 27643 1 178 . 1 1 16 16 PRO CA C 13 65.92 0 . . . . . . . 16 PRO CA . 27643 1 179 . 1 1 16 16 PRO CB C 13 31.263 0 . . . . . . . 16 PRO CB . 27643 1 180 . 1 1 16 16 PRO CG C 13 27.702 0 . . . . . . . 16 PRO CG . 27643 1 181 . 1 1 16 16 PRO CD C 13 50.049 0 . . . . . . . 16 PRO CD . 27643 1 182 . 1 1 17 17 ASN H H 1 8.597 0 . . . . . . . 17 ASN H . 27643 1 183 . 1 1 17 17 ASN HA H 1 3.682 0 . . . . . . . 17 ASN HA . 27643 1 184 . 1 1 17 17 ASN HB2 H 1 1.738 0 . . . . . . . 17 ASN HB2 . 27643 1 185 . 1 1 17 17 ASN HB3 H 1 2.345 0 . . . . . . . 17 ASN HB3 . 27643 1 186 . 1 1 17 17 ASN HD21 H 1 7.611 0.01 . . . . . . . 17 ASN HD21 . 27643 1 187 . 1 1 17 17 ASN HD22 H 1 7.895 0 . . . . . . . 17 ASN HD22 . 27643 1 188 . 1 1 17 17 ASN C C 13 177.626 0.01 . . . . . . . 17 ASN C . 27643 1 189 . 1 1 17 17 ASN CA C 13 56.664 0 . . . . . . . 17 ASN CA . 27643 1 190 . 1 1 17 17 ASN CB C 13 38.544 0 . . . . . . . 17 ASN CB . 27643 1 191 . 1 1 17 17 ASN N N 15 117.598 0 . . . . . . . 17 ASN N . 27643 1 192 . 1 1 17 17 ASN ND2 N 15 112.186 0 . . . . . . . 17 ASN ND2 . 27643 1 193 . 1 1 18 18 ALA H H 1 7.889 0 . . . . . . . 18 ALA H . 27643 1 194 . 1 1 18 18 ALA HA H 1 3.92 0 . . . . . . . 18 ALA HA . 27643 1 195 . 1 1 18 18 ALA HB1 H 1 1.691 0 . . . . . . . 18 ALA QB . 27643 1 196 . 1 1 18 18 ALA HB2 H 1 1.691 0 . . . . . . . 18 ALA QB . 27643 1 197 . 1 1 18 18 ALA HB3 H 1 1.691 0 . . . . . . . 18 ALA QB . 27643 1 198 . 1 1 18 18 ALA C C 13 180.455 0 . . . . . . . 18 ALA C . 27643 1 199 . 1 1 18 18 ALA CA C 13 55.874 0 . . . . . . . 18 ALA CA . 27643 1 200 . 1 1 18 18 ALA CB C 13 19.176 0 . . . . . . . 18 ALA CB . 27643 1 201 . 1 1 18 18 ALA N N 15 123.108 0 . . . . . . . 18 ALA N . 27643 1 202 . 1 1 19 19 ARG H H 1 8.393 0 . . . . . . . 19 ARG H . 27643 1 203 . 1 1 19 19 ARG HA H 1 3.99 0 . . . . . . . 19 ARG HA . 27643 1 204 . 1 1 19 19 ARG HB2 H 1 1.957 0 . . . . . . . 19 ARG HB2 . 27643 1 205 . 1 1 19 19 ARG HB3 H 1 2.117 0 . . . . . . . 19 ARG HB3 . 27643 1 206 . 1 1 19 19 ARG HG2 H 1 1.519 0 . . . . . . . 19 ARG HG2 . 27643 1 207 . 1 1 19 19 ARG HG3 H 1 1.879 0 . . . . . . . 19 ARG HG3 . 27643 1 208 . 1 1 19 19 ARG HD2 H 1 3.221 0.01 . . . . . . . 19 ARG HD2 . 27643 1 209 . 1 1 19 19 ARG HD3 H 1 3.221 0.01 . . . . . . . 19 ARG HD3 . 27643 1 210 . 1 1 19 19 ARG C C 13 178.849 0 . . . . . . . 19 ARG C . 27643 1 211 . 1 1 19 19 ARG CA C 13 60.489 0 . . . . . . . 19 ARG CA . 27643 1 212 . 1 1 19 19 ARG CB C 13 30.546 0 . . . . . . . 19 ARG CB . 27643 1 213 . 1 1 19 19 ARG CG C 13 29.069 0 . . . . . . . 19 ARG CG . 27643 1 214 . 1 1 19 19 ARG CD C 13 43.4 0 . . . . . . . 19 ARG CD . 27643 1 215 . 1 1 19 19 ARG N N 15 117.162 0 . . . . . . . 19 ARG N . 27643 1 216 . 1 1 20 20 GLY H H 1 8.453 0 . . . . . . . 20 GLY H . 27643 1 217 . 1 1 20 20 GLY HA2 H 1 3.85 0.01 . . . . . . . 20 GLY HA2 . 27643 1 218 . 1 1 20 20 GLY HA3 H 1 3.917 0 . . . . . . . 20 GLY HA3 . 27643 1 219 . 1 1 20 20 GLY C C 13 176.528 0 . . . . . . . 20 GLY C . 27643 1 220 . 1 1 20 20 GLY CA C 13 47.208 0 . . . . . . . 20 GLY CA . 27643 1 221 . 1 1 20 20 GLY N N 15 108.683 0 . . . . . . . 20 GLY N . 27643 1 222 . 1 1 21 21 ILE H H 1 8.388 0 . . . . . . . 21 ILE H . 27643 1 223 . 1 1 21 21 ILE HA H 1 3.75 0 . . . . . . . 21 ILE HA . 27643 1 224 . 1 1 21 21 ILE HB H 1 2.221 0 . . . . . . . 21 ILE HB . 27643 1 225 . 1 1 21 21 ILE HG12 H 1 1.148 0 . . . . . . . 21 ILE HG12 . 27643 1 226 . 1 1 21 21 ILE HG13 H 1 2.081 0 . . . . . . . 21 ILE HG13 . 27643 1 227 . 1 1 21 21 ILE HG21 H 1 0.724 0.01 . . . . . . . 21 ILE QG2 . 27643 1 228 . 1 1 21 21 ILE HG22 H 1 0.724 0.01 . . . . . . . 21 ILE QG2 . 27643 1 229 . 1 1 21 21 ILE HG23 H 1 0.724 0.01 . . . . . . . 21 ILE QG2 . 27643 1 230 . 1 1 21 21 ILE HD11 H 1 0.724 0.01 . . . . . . . 21 ILE QD1 . 27643 1 231 . 1 1 21 21 ILE HD12 H 1 0.724 0.01 . . . . . . . 21 ILE QD1 . 27643 1 232 . 1 1 21 21 ILE HD13 H 1 0.724 0.01 . . . . . . . 21 ILE QD1 . 27643 1 233 . 1 1 21 21 ILE C C 13 177.19 0 . . . . . . . 21 ILE C . 27643 1 234 . 1 1 21 21 ILE CA C 13 65.678 0 . . . . . . . 21 ILE CA . 27643 1 235 . 1 1 21 21 ILE CB C 13 38.986 0 . . . . . . . 21 ILE CB . 27643 1 236 . 1 1 21 21 ILE CG1 C 13 30.697 0 . . . . . . . 21 ILE CG1 . 27643 1 237 . 1 1 21 21 ILE CG2 C 13 18.158 0 . . . . . . . 21 ILE CG2 . 27643 1 238 . 1 1 21 21 ILE CD1 C 13 18.158 0.01 . . . . . . . 21 ILE CD1 . 27643 1 239 . 1 1 21 21 ILE N N 15 124.694 0 . . . . . . . 21 ILE N . 27643 1 240 . 1 1 22 22 PHE H H 1 8.688 0 . . . . . . . 22 PHE H . 27643 1 241 . 1 1 22 22 PHE HA H 1 3.917 0 . . . . . . . 22 PHE HA . 27643 1 242 . 1 1 22 22 PHE HB2 H 1 2.877 0 . . . . . . . 22 PHE HB2 . 27643 1 243 . 1 1 22 22 PHE HB3 H 1 3.037 0 . . . . . . . 22 PHE HB3 . 27643 1 244 . 1 1 22 22 PHE C C 13 177.383 0 . . . . . . . 22 PHE C . 27643 1 245 . 1 1 22 22 PHE CA C 13 62.464 0 . . . . . . . 22 PHE CA . 27643 1 246 . 1 1 22 22 PHE CB C 13 38.815 0 . . . . . . . 22 PHE CB . 27643 1 247 . 1 1 22 22 PHE N N 15 121.09 0 . . . . . . . 22 PHE N . 27643 1 248 . 1 1 23 23 ARG H H 1 8.672 0 . . . . . . . 23 ARG H . 27643 1 249 . 1 1 23 23 ARG HA H 1 3.782 0 . . . . . . . 23 ARG HA . 27643 1 250 . 1 1 23 23 ARG HB2 H 1 2.094 0.01 . . . . . . . 23 ARG HB2 . 27643 1 251 . 1 1 23 23 ARG HB3 H 1 2.093 0 . . . . . . . 23 ARG HB3 . 27643 1 252 . 1 1 23 23 ARG HG2 H 1 1.594 0 . . . . . . . 23 ARG HG2 . 27643 1 253 . 1 1 23 23 ARG HG3 H 1 1.977 0.01 . . . . . . . 23 ARG HG3 . 27643 1 254 . 1 1 23 23 ARG HD2 H 1 3.294 0 . . . . . . . 23 ARG HD2 . 27643 1 255 . 1 1 23 23 ARG HD3 H 1 3.781 0.01 . . . . . . . 23 ARG HD3 . 27643 1 256 . 1 1 23 23 ARG C C 13 178.004 0 . . . . . . . 23 ARG C . 27643 1 257 . 1 1 23 23 ARG CA C 13 60.053 0 . . . . . . . 23 ARG CA . 27643 1 258 . 1 1 23 23 ARG CB C 13 29.839 0 . . . . . . . 23 ARG CB . 27643 1 259 . 1 1 23 23 ARG CG C 13 29.56 0 . . . . . . . 23 ARG CG . 27643 1 260 . 1 1 23 23 ARG CD C 13 42.878 0 . . . . . . . 23 ARG CD . 27643 1 261 . 1 1 23 23 ARG N N 15 116.877 0 . . . . . . . 23 ARG N . 27643 1 262 . 1 1 24 24 LEU H H 1 7.533 0 . . . . . . . 24 LEU H . 27643 1 263 . 1 1 24 24 LEU HA H 1 4.12 0 . . . . . . . 24 LEU HA . 27643 1 264 . 1 1 24 24 LEU HB2 H 1 1.876 0 . . . . . . . 24 LEU HB2 . 27643 1 265 . 1 1 24 24 LEU HB3 H 1 1.994 0 . . . . . . . 24 LEU HB3 . 27643 1 266 . 1 1 24 24 LEU HG H 1 1.88 0.01 . . . . . . . 24 LEU HG . 27643 1 267 . 1 1 24 24 LEU HD11 H 1 0.886 0 . . . . . . . 24 LEU QD1 . 27643 1 268 . 1 1 24 24 LEU HD12 H 1 0.886 0 . . . . . . . 24 LEU QD1 . 27643 1 269 . 1 1 24 24 LEU HD13 H 1 0.886 0 . . . . . . . 24 LEU QD1 . 27643 1 270 . 1 1 24 24 LEU HD21 H 1 0.886 0.01 . . . . . . . 24 LEU QD2 . 27643 1 271 . 1 1 24 24 LEU HD22 H 1 0.886 0.01 . . . . . . . 24 LEU QD2 . 27643 1 272 . 1 1 24 24 LEU HD23 H 1 0.886 0.01 . . . . . . . 24 LEU QD2 . 27643 1 273 . 1 1 24 24 LEU C C 13 179.401 0 . . . . . . . 24 LEU C . 27643 1 274 . 1 1 24 24 LEU CA C 13 58.169 0 . . . . . . . 24 LEU CA . 27643 1 275 . 1 1 24 24 LEU CB C 13 41.687 0 . . . . . . . 24 LEU CB . 27643 1 276 . 1 1 24 24 LEU CG C 13 25.817 0 . . . . . . . 24 LEU CG . 27643 1 277 . 1 1 24 24 LEU CD1 C 13 23.772 0 . . . . . . . 24 LEU CD1 . 27643 1 278 . 1 1 24 24 LEU CD2 C 13 23.772 0.01 . . . . . . . 24 LEU CD2 . 27643 1 279 . 1 1 24 24 LEU N N 15 120.2 0 . . . . . . . 24 LEU N . 27643 1 280 . 1 1 25 25 LEU H H 1 7.386 0 . . . . . . . 25 LEU H . 27643 1 281 . 1 1 25 25 LEU HA H 1 3.881 0 . . . . . . . 25 LEU HA . 27643 1 282 . 1 1 25 25 LEU HB2 H 1 1.562 0.01 . . . . . . . 25 LEU HB2 . 27643 1 283 . 1 1 25 25 LEU HB3 H 1 1.563 0 . . . . . . . 25 LEU HB3 . 27643 1 284 . 1 1 25 25 LEU HG H 1 1.187 0.01 . . . . . . . 25 LEU HG . 27643 1 285 . 1 1 25 25 LEU HD11 H 1 0.309 0.01 . . . . . . . 25 LEU QD1 . 27643 1 286 . 1 1 25 25 LEU HD12 H 1 0.309 0.01 . . . . . . . 25 LEU QD1 . 27643 1 287 . 1 1 25 25 LEU HD13 H 1 0.309 0.01 . . . . . . . 25 LEU QD1 . 27643 1 288 . 1 1 25 25 LEU HD21 H 1 1.188 0.01 . . . . . . . 25 LEU QD2 . 27643 1 289 . 1 1 25 25 LEU HD22 H 1 1.188 0.01 . . . . . . . 25 LEU QD2 . 27643 1 290 . 1 1 25 25 LEU HD23 H 1 1.188 0.01 . . . . . . . 25 LEU QD2 . 27643 1 291 . 1 1 25 25 LEU C C 13 177.68 0 . . . . . . . 25 LEU C . 27643 1 292 . 1 1 25 25 LEU CA C 13 57.489 0 . . . . . . . 25 LEU CA . 27643 1 293 . 1 1 25 25 LEU CB C 13 40.335 0 . . . . . . . 25 LEU CB . 27643 1 294 . 1 1 25 25 LEU CG C 13 25.537 0.01 . . . . . . . 25 LEU CG . 27643 1 295 . 1 1 25 25 LEU CD1 C 13 25.458 0.01 . . . . . . . 25 LEU CD1 . 27643 1 296 . 1 1 25 25 LEU CD2 C 13 25.533 0.01 . . . . . . . 25 LEU CD2 . 27643 1 297 . 1 1 25 25 LEU N N 15 122.543 0 . . . . . . . 25 LEU N . 27643 1 298 . 1 1 26 26 ILE H H 1 8.165 0 . . . . . . . 26 ILE H . 27643 1 299 . 1 1 26 26 ILE HA H 1 3.026 0 . . . . . . . 26 ILE HA . 27643 1 300 . 1 1 26 26 ILE HB H 1 1.853 0 . . . . . . . 26 ILE HB . 27643 1 301 . 1 1 26 26 ILE HG12 H 1 0.349 0.01 . . . . . . . 26 ILE HG12 . 27643 1 302 . 1 1 26 26 ILE HG13 H 1 1.222 0 . . . . . . . 26 ILE HG13 . 27643 1 303 . 1 1 26 26 ILE HG21 H 1 0.824 0.01 . . . . . . . 26 ILE QG2 . 27643 1 304 . 1 1 26 26 ILE HG22 H 1 0.824 0.01 . . . . . . . 26 ILE QG2 . 27643 1 305 . 1 1 26 26 ILE HG23 H 1 0.824 0.01 . . . . . . . 26 ILE QG2 . 27643 1 306 . 1 1 26 26 ILE HD11 H 1 0.273 0.01 . . . . . . . 26 ILE QD1 . 27643 1 307 . 1 1 26 26 ILE HD12 H 1 0.273 0.01 . . . . . . . 26 ILE QD1 . 27643 1 308 . 1 1 26 26 ILE HD13 H 1 0.273 0.01 . . . . . . . 26 ILE QD1 . 27643 1 309 . 1 1 26 26 ILE C C 13 177.138 0 . . . . . . . 26 ILE C . 27643 1 310 . 1 1 26 26 ILE CA C 13 66.206 0 . . . . . . . 26 ILE CA . 27643 1 311 . 1 1 26 26 ILE CB C 13 37.683 0 . . . . . . . 26 ILE CB . 27643 1 312 . 1 1 26 26 ILE CG1 C 13 27.722 0 . . . . . . . 26 ILE CG1 . 27643 1 313 . 1 1 26 26 ILE CG2 C 13 19.061 0 . . . . . . . 26 ILE CG2 . 27643 1 314 . 1 1 26 26 ILE CD1 C 13 14.837 0 . . . . . . . 26 ILE CD1 . 27643 1 315 . 1 1 26 26 ILE N N 15 118.354 0 . . . . . . . 26 ILE N . 27643 1 316 . 1 1 27 27 LYS H H 1 7.968 0 . . . . . . . 27 LYS H . 27643 1 317 . 1 1 27 27 LYS HA H 1 3.712 0 . . . . . . . 27 LYS HA . 27643 1 318 . 1 1 27 27 LYS HB2 H 1 1.836 0 . . . . . . . 27 LYS HB2 . 27643 1 319 . 1 1 27 27 LYS HB3 H 1 1.839 0.01 . . . . . . . 27 LYS HB3 . 27643 1 320 . 1 1 27 27 LYS HG2 H 1 1.373 0 . . . . . . . 27 LYS HG2 . 27643 1 321 . 1 1 27 27 LYS HG3 H 1 1.57 0.01 . . . . . . . 27 LYS HG3 . 27643 1 322 . 1 1 27 27 LYS HD2 H 1 1.57 0.01 . . . . . . . 27 LYS HD2 . 27643 1 323 . 1 1 27 27 LYS HD3 H 1 1.689 0.01 . . . . . . . 27 LYS HD3 . 27643 1 324 . 1 1 27 27 LYS HE2 H 1 2.944 0.01 . . . . . . . 27 LYS HE2 . 27643 1 325 . 1 1 27 27 LYS HE3 H 1 2.944 0.01 . . . . . . . 27 LYS HE3 . 27643 1 326 . 1 1 27 27 LYS C C 13 177.865 0 . . . . . . . 27 LYS C . 27643 1 327 . 1 1 27 27 LYS CA C 13 59.684 0 . . . . . . . 27 LYS CA . 27643 1 328 . 1 1 27 27 LYS CB C 13 31.802 0 . . . . . . . 27 LYS CB . 27643 1 329 . 1 1 27 27 LYS CG C 13 25.022 0 . . . . . . . 27 LYS CG . 27643 1 330 . 1 1 27 27 LYS CD C 13 28.786 0 . . . . . . . 27 LYS CD . 27643 1 331 . 1 1 27 27 LYS CE C 13 41.706 0 . . . . . . . 27 LYS CE . 27643 1 332 . 1 1 27 27 LYS N N 15 117.673 0 . . . . . . . 27 LYS N . 27643 1 333 . 1 1 28 28 TYR H H 1 7.641 0 . . . . . . . 28 TYR H . 27643 1 334 . 1 1 28 28 TYR HA H 1 4.022 0 . . . . . . . 28 TYR HA . 27643 1 335 . 1 1 28 28 TYR HB2 H 1 3.008 0 . . . . . . . 28 TYR HB2 . 27643 1 336 . 1 1 28 28 TYR HB3 H 1 3.259 0 . . . . . . . 28 TYR HB3 . 27643 1 337 . 1 1 28 28 TYR C C 13 178.21 0 . . . . . . . 28 TYR C . 27643 1 338 . 1 1 28 28 TYR CA C 13 62.352 0 . . . . . . . 28 TYR CA . 27643 1 339 . 1 1 28 28 TYR CB C 13 38.406 0 . . . . . . . 28 TYR CB . 27643 1 340 . 1 1 28 28 TYR N N 15 119.261 0 . . . . . . . 28 TYR N . 27643 1 341 . 1 1 29 29 GLN H H 1 8.547 0 . . . . . . . 29 GLN H . 27643 1 342 . 1 1 29 29 GLN HA H 1 3.702 0 . . . . . . . 29 GLN HA . 27643 1 343 . 1 1 29 29 GLN HB2 H 1 2.22 0 . . . . . . . 29 GLN HB2 . 27643 1 344 . 1 1 29 29 GLN HB3 H 1 3.703 0.01 . . . . . . . 29 GLN HB3 . 27643 1 345 . 1 1 29 29 GLN HG2 H 1 2.22 0 . . . . . . . 29 GLN HG2 . 27643 1 346 . 1 1 29 29 GLN HG3 H 1 2.218 0.01 . . . . . . . 29 GLN HG3 . 27643 1 347 . 1 1 29 29 GLN HE21 H 1 7.583 0.01 . . . . . . . 29 GLN HE21 . 27643 1 348 . 1 1 29 29 GLN HE22 H 1 7.92 0.01 . . . . . . . 29 GLN HE22 . 27643 1 349 . 1 1 29 29 GLN C C 13 179.728 0 . . . . . . . 29 GLN C . 27643 1 350 . 1 1 29 29 GLN CA C 13 60.787 0 . . . . . . . 29 GLN CA . 27643 1 351 . 1 1 29 29 GLN CB C 13 28.377 0 . . . . . . . 29 GLN CB . 27643 1 352 . 1 1 29 29 GLN CG C 13 34.217 0 . . . . . . . 29 GLN CG . 27643 1 353 . 1 1 29 29 GLN N N 15 121.845 0 . . . . . . . 29 GLN N . 27643 1 354 . 1 1 29 29 GLN NE2 N 15 119.553 0.01 . . . . . . . 29 GLN NE2 . 27643 1 355 . 1 1 30 30 LEU H H 1 8.926 0 . . . . . . . 30 LEU H . 27643 1 356 . 1 1 30 30 LEU HA H 1 3.918 0 . . . . . . . 30 LEU HA . 27643 1 357 . 1 1 30 30 LEU HB2 H 1 1.322 0 . . . . . . . 30 LEU HB2 . 27643 1 358 . 1 1 30 30 LEU HB3 H 1 1.827 0 . . . . . . . 30 LEU HB3 . 27643 1 359 . 1 1 30 30 LEU HG H 1 1.328 0.01 . . . . . . . 30 LEU HG . 27643 1 360 . 1 1 30 30 LEU HD11 H 1 0.748 0 . . . . . . . 30 LEU QD1 . 27643 1 361 . 1 1 30 30 LEU HD12 H 1 0.748 0 . . . . . . . 30 LEU QD1 . 27643 1 362 . 1 1 30 30 LEU HD13 H 1 0.748 0 . . . . . . . 30 LEU QD1 . 27643 1 363 . 1 1 30 30 LEU HD21 H 1 0.748 0.01 . . . . . . . 30 LEU QD2 . 27643 1 364 . 1 1 30 30 LEU HD22 H 1 0.748 0.01 . . . . . . . 30 LEU QD2 . 27643 1 365 . 1 1 30 30 LEU HD23 H 1 0.748 0.01 . . . . . . . 30 LEU QD2 . 27643 1 366 . 1 1 30 30 LEU C C 13 180.599 0 . . . . . . . 30 LEU C . 27643 1 367 . 1 1 30 30 LEU CA C 13 57.312 0 . . . . . . . 30 LEU CA . 27643 1 368 . 1 1 30 30 LEU CB C 13 40.54 0 . . . . . . . 30 LEU CB . 27643 1 369 . 1 1 30 30 LEU CG C 13 25.89 0 . . . . . . . 30 LEU CG . 27643 1 370 . 1 1 30 30 LEU CD1 C 13 21.688 0 . . . . . . . 30 LEU CD1 . 27643 1 371 . 1 1 30 30 LEU CD2 C 13 25.892 0.01 . . . . . . . 30 LEU CD2 . 27643 1 372 . 1 1 30 30 LEU N N 15 119.589 0 . . . . . . . 30 LEU N . 27643 1 373 . 1 1 31 31 ASP H H 1 8.188 0 . . . . . . . 31 ASP H . 27643 1 374 . 1 1 31 31 ASP HA H 1 4.408 0 . . . . . . . 31 ASP HA . 27643 1 375 . 1 1 31 31 ASP HB2 H 1 2.406 0 . . . . . . . 31 ASP HB2 . 27643 1 376 . 1 1 31 31 ASP HB3 H 1 2.627 0 . . . . . . . 31 ASP HB3 . 27643 1 377 . 1 1 31 31 ASP C C 13 176.985 0 . . . . . . . 31 ASP C . 27643 1 378 . 1 1 31 31 ASP CA C 13 56.138 0 . . . . . . . 31 ASP CA . 27643 1 379 . 1 1 31 31 ASP CB C 13 39.911 0 . . . . . . . 31 ASP CB . 27643 1 380 . 1 1 31 31 ASP N N 15 121.286 0 . . . . . . . 31 ASP N . 27643 1 381 . 1 1 32 32 ASN H H 1 7.075 0 . . . . . . . 32 ASN H . 27643 1 382 . 1 1 32 32 ASN HA H 1 4.718 0 . . . . . . . 32 ASN HA . 27643 1 383 . 1 1 32 32 ASN HB2 H 1 2.517 0 . . . . . . . 32 ASN HB2 . 27643 1 384 . 1 1 32 32 ASN HB3 H 1 2.741 0 . . . . . . . 32 ASN HB3 . 27643 1 385 . 1 1 32 32 ASN HD21 H 1 7.429 0 . . . . . . . 32 ASN HD21 . 27643 1 386 . 1 1 32 32 ASN HD22 H 1 7.492 0 . . . . . . . 32 ASN HD22 . 27643 1 387 . 1 1 32 32 ASN C C 13 174.97 0 . . . . . . . 32 ASN C . 27643 1 388 . 1 1 32 32 ASN CA C 13 53.498 0 . . . . . . . 32 ASN CA . 27643 1 389 . 1 1 32 32 ASN CB C 13 40.283 0 . . . . . . . 32 ASN CB . 27643 1 390 . 1 1 32 32 ASN N N 15 116.608 0 . . . . . . . 32 ASN N . 27643 1 391 . 1 1 32 32 ASN ND2 N 15 119.846 0 . . . . . . . 32 ASN ND2 . 27643 1 392 . 1 1 33 33 GLN H H 1 7.435 0 . . . . . . . 33 GLN H . 27643 1 393 . 1 1 33 33 GLN HA H 1 4.02 0 . . . . . . . 33 GLN HA . 27643 1 394 . 1 1 33 33 GLN HB2 H 1 1.942 0 . . . . . . . 33 GLN HB2 . 27643 1 395 . 1 1 33 33 GLN HB3 H 1 1.942 0.01 . . . . . . . 33 GLN HB3 . 27643 1 396 . 1 1 33 33 GLN HG2 H 1 2.091 0 . . . . . . . 33 GLN HG2 . 27643 1 397 . 1 1 33 33 GLN HG3 H 1 2.419 0 . . . . . . . 33 GLN HG3 . 27643 1 398 . 1 1 33 33 GLN HE21 H 1 7.638 0.01 . . . . . . . 33 GLN HE21 . 27643 1 399 . 1 1 33 33 GLN HE22 H 1 8.393 0 . . . . . . . 33 GLN HE22 . 27643 1 400 . 1 1 33 33 GLN C C 13 175.207 0 . . . . . . . 33 GLN C . 27643 1 401 . 1 1 33 33 GLN CA C 13 58.121 0 . . . . . . . 33 GLN CA . 27643 1 402 . 1 1 33 33 GLN CB C 13 28.697 0 . . . . . . . 33 GLN CB . 27643 1 403 . 1 1 33 33 GLN CG C 13 32.736 0 . . . . . . . 33 GLN CG . 27643 1 404 . 1 1 33 33 GLN N N 15 119.707 0 . . . . . . . 33 GLN N . 27643 1 405 . 1 1 33 33 GLN NE2 N 15 113.26 0 . . . . . . . 33 GLN NE2 . 27643 1 406 . 1 1 34 34 ASP H H 1 8.395 0 . . . . . . . 34 ASP H . 27643 1 407 . 1 1 34 34 ASP HA H 1 4.61 0.01 . . . . . . . 34 ASP HA . 27643 1 408 . 1 1 34 34 ASP HB2 H 1 1.464 0 . . . . . . . 34 ASP HB2 . 27643 1 409 . 1 1 34 34 ASP HB3 H 1 2.335 0.01 . . . . . . . 34 ASP HB3 . 27643 1 410 . 1 1 34 34 ASP C C 13 175.026 0 . . . . . . . 34 ASP C . 27643 1 411 . 1 1 34 34 ASP CA C 13 53.502 0 . . . . . . . 34 ASP CA . 27643 1 412 . 1 1 34 34 ASP CB C 13 40.216 0 . . . . . . . 34 ASP CB . 27643 1 413 . 1 1 34 34 ASP N N 15 119.063 0 . . . . . . . 34 ASP N . 27643 1 414 . 1 1 35 35 ASN H H 1 7.436 0 . . . . . . . 35 ASN H . 27643 1 415 . 1 1 35 35 ASN HA H 1 4.087 0.01 . . . . . . . 35 ASN HA . 27643 1 416 . 1 1 35 35 ASN HB2 H 1 1.396 0.01 . . . . . . . 35 ASN HB2 . 27643 1 417 . 1 1 35 35 ASN HB3 H 1 1.779 0.01 . . . . . . . 35 ASN HB3 . 27643 1 418 . 1 1 35 35 ASN HD21 H 1 8.067 0.01 . . . . . . . 35 ASN HD21 . 27643 1 419 . 1 1 35 35 ASN HD22 H 1 8.067 0.01 . . . . . . . 35 ASN HD22 . 27643 1 420 . 1 1 35 35 ASN CA C 13 49.585 0 . . . . . . . 35 ASN CA . 27643 1 421 . 1 1 35 35 ASN N N 15 119.647 0 . . . . . . . 35 ASN N . 27643 1 422 . 1 1 35 35 ASN ND2 N 15 114.186 0.01 . . . . . . . 35 ASN ND2 . 27643 1 423 . 1 1 36 36 PRO HA H 1 4.463 0 . . . . . . . 36 PRO HA . 27643 1 424 . 1 1 36 36 PRO HB2 H 1 2.031 0 . . . . . . . 36 PRO HB2 . 27643 1 425 . 1 1 36 36 PRO HB3 H 1 2.351 0 . . . . . . . 36 PRO HB3 . 27643 1 426 . 1 1 36 36 PRO HG2 H 1 2.035 0.01 . . . . . . . 36 PRO HG2 . 27643 1 427 . 1 1 36 36 PRO HG3 H 1 2.356 0.01 . . . . . . . 36 PRO HG3 . 27643 1 428 . 1 1 36 36 PRO HD2 H 1 3.972 0 . . . . . . . 36 PRO HD2 . 27643 1 429 . 1 1 36 36 PRO HD3 H 1 4.118 0 . . . . . . . 36 PRO HD3 . 27643 1 430 . 1 1 36 36 PRO C C 13 177.335 0 . . . . . . . 36 PRO C . 27643 1 431 . 1 1 36 36 PRO CA C 13 64.095 0 . . . . . . . 36 PRO CA . 27643 1 432 . 1 1 36 36 PRO CB C 13 31.719 0 . . . . . . . 36 PRO CB . 27643 1 433 . 1 1 36 36 PRO CG C 13 26.639 0 . . . . . . . 36 PRO CG . 27643 1 434 . 1 1 36 36 PRO CD C 13 51.004 0 . . . . . . . 36 PRO CD . 27643 1 435 . 1 1 37 37 SER H H 1 7.915 0 . . . . . . . 37 SER H . 27643 1 436 . 1 1 37 37 SER HA H 1 4.485 0.01 . . . . . . . 37 SER HA . 27643 1 437 . 1 1 37 37 SER HB2 H 1 3.909 0.01 . . . . . . . 37 SER HB2 . 27643 1 438 . 1 1 37 37 SER HB3 H 1 4.485 0 . . . . . . . 37 SER HB3 . 27643 1 439 . 1 1 37 37 SER C C 13 173.473 0 . . . . . . . 37 SER C . 27643 1 440 . 1 1 37 37 SER CA C 13 57.474 0 . . . . . . . 37 SER CA . 27643 1 441 . 1 1 37 37 SER CB C 13 63.106 0 . . . . . . . 37 SER CB . 27643 1 442 . 1 1 37 37 SER N N 15 113.641 0 . . . . . . . 37 SER N . 27643 1 443 . 1 1 38 38 TYR H H 1 7.477 0 . . . . . . . 38 TYR H . 27643 1 444 . 1 1 38 38 TYR HA H 1 4.302 0 . . . . . . . 38 TYR HA . 27643 1 445 . 1 1 38 38 TYR HB2 H 1 2.995 0 . . . . . . . 38 TYR HB2 . 27643 1 446 . 1 1 38 38 TYR HB3 H 1 3.11 0 . . . . . . . 38 TYR HB3 . 27643 1 447 . 1 1 38 38 TYR C C 13 176.008 0 . . . . . . . 38 TYR C . 27643 1 448 . 1 1 38 38 TYR CA C 13 59.247 0 . . . . . . . 38 TYR CA . 27643 1 449 . 1 1 38 38 TYR CB C 13 38.65 0 . . . . . . . 38 TYR CB . 27643 1 450 . 1 1 38 38 TYR N N 15 123.347 0 . . . . . . . 38 TYR N . 27643 1 451 . 1 1 39 39 ILE H H 1 8.444 0 . . . . . . . 39 ILE H . 27643 1 452 . 1 1 39 39 ILE HA H 1 3.258 0.01 . . . . . . . 39 ILE HA . 27643 1 453 . 1 1 39 39 ILE HB H 1 1.911 0.01 . . . . . . . 39 ILE HB . 27643 1 454 . 1 1 39 39 ILE HG12 H 1 1.195 0.01 . . . . . . . 39 ILE HG12 . 27643 1 455 . 1 1 39 39 ILE HG13 H 1 1.08 0.01 . . . . . . . 39 ILE HG13 . 27643 1 456 . 1 1 39 39 ILE HG21 H 1 0.32 0.01 . . . . . . . 39 ILE QG2 . 27643 1 457 . 1 1 39 39 ILE HG22 H 1 0.32 0.01 . . . . . . . 39 ILE QG2 . 27643 1 458 . 1 1 39 39 ILE HG23 H 1 0.32 0.01 . . . . . . . 39 ILE QG2 . 27643 1 459 . 1 1 39 39 ILE HD11 H 1 0.333 0.01 . . . . . . . 39 ILE QD1 . 27643 1 460 . 1 1 39 39 ILE HD12 H 1 0.333 0.01 . . . . . . . 39 ILE QD1 . 27643 1 461 . 1 1 39 39 ILE HD13 H 1 0.333 0.01 . . . . . . . 39 ILE QD1 . 27643 1 462 . 1 1 39 39 ILE C C 13 177.826 0.01 . . . . . . . 39 ILE C . 27643 1 463 . 1 1 39 39 ILE CA C 13 59.95 0.01 . . . . . . . 39 ILE CA . 27643 1 464 . 1 1 39 39 ILE CB C 13 29.937 0.01 . . . . . . . 39 ILE CB . 27643 1 465 . 1 1 39 39 ILE CG1 C 13 26.384 0.01 . . . . . . . 39 ILE CG1 . 27643 1 466 . 1 1 39 39 ILE CD1 C 13 10.956 0.01 . . . . . . . 39 ILE CD1 . 27643 1 467 . 1 1 39 39 ILE N N 15 124.81 0 . . . . . . . 39 ILE N . 27643 1 468 . 1 1 40 40 GLY H H 1 8.073 0.01 . . . . . . . 40 GLY H . 27643 1 469 . 1 1 40 40 GLY HA2 H 1 3.341 0 . . . . . . . 40 GLY HA2 . 27643 1 470 . 1 1 40 40 GLY HA3 H 1 4.193 0 . . . . . . . 40 GLY HA3 . 27643 1 471 . 1 1 40 40 GLY C C 13 171.392 0 . . . . . . . 40 GLY C . 27643 1 472 . 1 1 40 40 GLY CA C 13 43.781 0 . . . . . . . 40 GLY CA . 27643 1 473 . 1 1 40 40 GLY N N 15 118.866 0.01 . . . . . . . 40 GLY N . 27643 1 474 . 1 1 41 41 LEU H H 1 8.202 0 . . . . . . . 41 LEU H . 27643 1 475 . 1 1 41 41 LEU HA H 1 4.784 0 . . . . . . . 41 LEU HA . 27643 1 476 . 1 1 41 41 LEU HB2 H 1 -0.199 0.01 . . . . . . . 41 LEU HB2 . 27643 1 477 . 1 1 41 41 LEU HB3 H 1 1.434 0 . . . . . . . 41 LEU HB3 . 27643 1 478 . 1 1 41 41 LEU HG H 1 0.337 0 . . . . . . . 41 LEU HG . 27643 1 479 . 1 1 41 41 LEU HD11 H 1 0.337 0.01 . . . . . . . 41 LEU QD1 . 27643 1 480 . 1 1 41 41 LEU HD12 H 1 0.337 0.01 . . . . . . . 41 LEU QD1 . 27643 1 481 . 1 1 41 41 LEU HD13 H 1 0.337 0.01 . . . . . . . 41 LEU QD1 . 27643 1 482 . 1 1 41 41 LEU HD21 H 1 0.337 0.01 . . . . . . . 41 LEU QD2 . 27643 1 483 . 1 1 41 41 LEU HD22 H 1 0.337 0.01 . . . . . . . 41 LEU QD2 . 27643 1 484 . 1 1 41 41 LEU HD23 H 1 0.337 0.01 . . . . . . . 41 LEU QD2 . 27643 1 485 . 1 1 41 41 LEU C C 13 176.259 0 . . . . . . . 41 LEU C . 27643 1 486 . 1 1 41 41 LEU CA C 13 52.807 0 . . . . . . . 41 LEU CA . 27643 1 487 . 1 1 41 41 LEU CB C 13 43.974 0 . . . . . . . 41 LEU CB . 27643 1 488 . 1 1 41 41 LEU CG C 13 26 0 . . . . . . . 41 LEU CG . 27643 1 489 . 1 1 41 41 LEU CD1 C 13 22.153 0 . . . . . . . 41 LEU CD1 . 27643 1 490 . 1 1 41 41 LEU CD2 C 13 26.013 0.01 . . . . . . . 41 LEU CD2 . 27643 1 491 . 1 1 41 41 LEU N N 15 122.563 0 . . . . . . . 41 LEU N . 27643 1 492 . 1 1 42 42 SER H H 1 9.51 0 . . . . . . . 42 SER H . 27643 1 493 . 1 1 42 42 SER HA H 1 4.457 0 . . . . . . . 42 SER HA . 27643 1 494 . 1 1 42 42 SER HB2 H 1 3.743 0.01 . . . . . . . 42 SER HB2 . 27643 1 495 . 1 1 42 42 SER HB3 H 1 3.918 0.01 . . . . . . . 42 SER HB3 . 27643 1 496 . 1 1 42 42 SER C C 13 174.847 0 . . . . . . . 42 SER C . 27643 1 497 . 1 1 42 42 SER CA C 13 57.545 0 . . . . . . . 42 SER CA . 27643 1 498 . 1 1 42 42 SER CB C 13 64.12 0 . . . . . . . 42 SER CB . 27643 1 499 . 1 1 42 42 SER N N 15 124.892 0 . . . . . . . 42 SER N . 27643 1 500 . 1 1 43 43 PHE H H 1 8.884 0 . . . . . . . 43 PHE H . 27643 1 501 . 1 1 43 43 PHE HA H 1 3.891 0 . . . . . . . 43 PHE HA . 27643 1 502 . 1 1 43 43 PHE HB2 H 1 3.055 0 . . . . . . . 43 PHE HB2 . 27643 1 503 . 1 1 43 43 PHE HB3 H 1 3.055 0.01 . . . . . . . 43 PHE HB3 . 27643 1 504 . 1 1 43 43 PHE C C 13 176.464 0 . . . . . . . 43 PHE C . 27643 1 505 . 1 1 43 43 PHE CA C 13 62.966 0 . . . . . . . 43 PHE CA . 27643 1 506 . 1 1 43 43 PHE CB C 13 39.197 0 . . . . . . . 43 PHE CB . 27643 1 507 . 1 1 43 43 PHE N N 15 122.926 0 . . . . . . . 43 PHE N . 27643 1 508 . 1 1 44 44 GLN H H 1 8.823 0 . . . . . . . 44 GLN H . 27643 1 509 . 1 1 44 44 GLN HA H 1 3.93 0 . . . . . . . 44 GLN HA . 27643 1 510 . 1 1 44 44 GLN HB2 H 1 2.06 0 . . . . . . . 44 GLN HB2 . 27643 1 511 . 1 1 44 44 GLN HB3 H 1 2.163 0 . . . . . . . 44 GLN HB3 . 27643 1 512 . 1 1 44 44 GLN HG2 H 1 2.549 0 . . . . . . . 44 GLN HG2 . 27643 1 513 . 1 1 44 44 GLN HG3 H 1 2.589 0 . . . . . . . 44 GLN HG3 . 27643 1 514 . 1 1 44 44 GLN HE21 H 1 7.991 0.01 . . . . . . . 44 GLN HE21 . 27643 1 515 . 1 1 44 44 GLN HE22 H 1 8.073 0.01 . . . . . . . 44 GLN HE22 . 27643 1 516 . 1 1 44 44 GLN C C 13 178.459 0 . . . . . . . 44 GLN C . 27643 1 517 . 1 1 44 44 GLN CA C 13 59.483 0 . . . . . . . 44 GLN CA . 27643 1 518 . 1 1 44 44 GLN CB C 13 27.633 0 . . . . . . . 44 GLN CB . 27643 1 519 . 1 1 44 44 GLN CG C 13 33.662 0 . . . . . . . 44 GLN CG . 27643 1 520 . 1 1 44 44 GLN N N 15 117.261 0 . . . . . . . 44 GLN N . 27643 1 521 . 1 1 44 44 GLN NE2 N 15 116.56 0.01 . . . . . . . 44 GLN NE2 . 27643 1 522 . 1 1 45 45 ASP H H 1 7.764 0 . . . . . . . 45 ASP H . 27643 1 523 . 1 1 45 45 ASP HA H 1 4.412 0 . . . . . . . 45 ASP HA . 27643 1 524 . 1 1 45 45 ASP HB2 H 1 2.543 0 . . . . . . . 45 ASP HB2 . 27643 1 525 . 1 1 45 45 ASP HB3 H 1 2.688 0 . . . . . . . 45 ASP HB3 . 27643 1 526 . 1 1 45 45 ASP C C 13 178.57 0 . . . . . . . 45 ASP C . 27643 1 527 . 1 1 45 45 ASP CA C 13 56.91 0 . . . . . . . 45 ASP CA . 27643 1 528 . 1 1 45 45 ASP CB C 13 40.111 0 . . . . . . . 45 ASP CB . 27643 1 529 . 1 1 45 45 ASP N N 15 121.408 0 . . . . . . . 45 ASP N . 27643 1 530 . 1 1 46 46 PHE H H 1 8.656 0 . . . . . . . 46 PHE H . 27643 1 531 . 1 1 46 46 PHE HA H 1 4.316 0 . . . . . . . 46 PHE HA . 27643 1 532 . 1 1 46 46 PHE HB2 H 1 2.825 0 . . . . . . . 46 PHE HB2 . 27643 1 533 . 1 1 46 46 PHE HB3 H 1 2.986 0 . . . . . . . 46 PHE HB3 . 27643 1 534 . 1 1 46 46 PHE C C 13 177.652 0 . . . . . . . 46 PHE C . 27643 1 535 . 1 1 46 46 PHE CA C 13 58.516 0 . . . . . . . 46 PHE CA . 27643 1 536 . 1 1 46 46 PHE CB C 13 38.287 0 . . . . . . . 46 PHE CB . 27643 1 537 . 1 1 46 46 PHE N N 15 122.255 0 . . . . . . . 46 PHE N . 27643 1 538 . 1 1 47 47 TYR H H 1 9.138 0 . . . . . . . 47 TYR H . 27643 1 539 . 1 1 47 47 TYR HA H 1 3.623 0 . . . . . . . 47 TYR HA . 27643 1 540 . 1 1 47 47 TYR HB2 H 1 2.736 0.01 . . . . . . . 47 TYR HB2 . 27643 1 541 . 1 1 47 47 TYR HB3 H 1 2.736 0 . . . . . . . 47 TYR HB3 . 27643 1 542 . 1 1 47 47 TYR C C 13 176.299 0 . . . . . . . 47 TYR C . 27643 1 543 . 1 1 47 47 TYR CA C 13 60.139 0 . . . . . . . 47 TYR CA . 27643 1 544 . 1 1 47 47 TYR CB C 13 36.474 0 . . . . . . . 47 TYR CB . 27643 1 545 . 1 1 47 47 TYR N N 15 120.785 0 . . . . . . . 47 TYR N . 27643 1 546 . 1 1 48 48 GLN H H 1 7.641 0 . . . . . . . 48 GLN H . 27643 1 547 . 1 1 48 48 GLN HA H 1 3.434 0 . . . . . . . 48 GLN HA . 27643 1 548 . 1 1 48 48 GLN HB2 H 1 2.096 0 . . . . . . . 48 GLN HB2 . 27643 1 549 . 1 1 48 48 GLN HB3 H 1 2.096 0 . . . . . . . 48 GLN HB3 . 27643 1 550 . 1 1 48 48 GLN HG2 H 1 2.347 0.01 . . . . . . . 48 GLN HG2 . 27643 1 551 . 1 1 48 48 GLN HG3 H 1 2.347 0 . . . . . . . 48 GLN HG3 . 27643 1 552 . 1 1 48 48 GLN HE21 H 1 7.422 0.01 . . . . . . . 48 GLN HE21 . 27643 1 553 . 1 1 48 48 GLN HE22 H 1 8.147 0.01 . . . . . . . 48 GLN HE22 . 27643 1 554 . 1 1 48 48 GLN C C 13 178.169 0 . . . . . . . 48 GLN C . 27643 1 555 . 1 1 48 48 GLN CA C 13 58.933 0 . . . . . . . 48 GLN CA . 27643 1 556 . 1 1 48 48 GLN CB C 13 27.039 0 . . . . . . . 48 GLN CB . 27643 1 557 . 1 1 48 48 GLN CG C 13 32.431 0 . . . . . . . 48 GLN CG . 27643 1 558 . 1 1 48 48 GLN N N 15 118.425 0 . . . . . . . 48 GLN N . 27643 1 559 . 1 1 48 48 GLN NE2 N 15 114.152 0.01 . . . . . . . 48 GLN NE2 . 27643 1 560 . 1 1 49 49 GLN H H 1 7.783 0 . . . . . . . 49 GLN H . 27643 1 561 . 1 1 49 49 GLN HA H 1 3.902 0 . . . . . . . 49 GLN HA . 27643 1 562 . 1 1 49 49 GLN HB2 H 1 2.145 0 . . . . . . . 49 GLN HB2 . 27643 1 563 . 1 1 49 49 GLN HB3 H 1 2.145 0 . . . . . . . 49 GLN HB3 . 27643 1 564 . 1 1 49 49 GLN HG2 H 1 2.374 0 . . . . . . . 49 GLN HG2 . 27643 1 565 . 1 1 49 49 GLN HG3 H 1 2.588 0 . . . . . . . 49 GLN HG3 . 27643 1 566 . 1 1 49 49 GLN HE21 H 1 8.291 0.01 . . . . . . . 49 GLN HE21 . 27643 1 567 . 1 1 49 49 GLN HE22 H 1 8.291 0.01 . . . . . . . 49 GLN HE22 . 27643 1 568 . 1 1 49 49 GLN C C 13 179.793 0 . . . . . . . 49 GLN C . 27643 1 569 . 1 1 49 49 GLN CA C 13 59.04 0 . . . . . . . 49 GLN CA . 27643 1 570 . 1 1 49 49 GLN CB C 13 27.971 0 . . . . . . . 49 GLN CB . 27643 1 571 . 1 1 49 49 GLN CG C 13 33.185 0 . . . . . . . 49 GLN CG . 27643 1 572 . 1 1 49 49 GLN N N 15 118.068 0 . . . . . . . 49 GLN N . 27643 1 573 . 1 1 49 49 GLN NE2 N 15 118.188 0 . . . . . . . 49 GLN NE2 . 27643 1 574 . 1 1 50 50 CYS H H 1 8.292 0 . . . . . . . 50 CYS H . 27643 1 575 . 1 1 50 50 CYS HA H 1 3.766 0 . . . . . . . 50 CYS HA . 27643 1 576 . 1 1 50 50 CYS HB2 H 1 2.117 0 . . . . . . . 50 CYS HB2 . 27643 1 577 . 1 1 50 50 CYS HB3 H 1 2.66 0 . . . . . . . 50 CYS HB3 . 27643 1 578 . 1 1 50 50 CYS C C 13 176.9 0 . . . . . . . 50 CYS C . 27643 1 579 . 1 1 50 50 CYS CA C 13 64.018 0 . . . . . . . 50 CYS CA . 27643 1 580 . 1 1 50 50 CYS CB C 13 27.457 0 . . . . . . . 50 CYS CB . 27643 1 581 . 1 1 50 50 CYS N N 15 118.113 0 . . . . . . . 50 CYS N . 27643 1 582 . 1 1 51 51 ARG H H 1 8.5 0 . . . . . . . 51 ARG H . 27643 1 583 . 1 1 51 51 ARG HA H 1 4.086 0 . . . . . . . 51 ARG HA . 27643 1 584 . 1 1 51 51 ARG HB2 H 1 1.309 0 . . . . . . . 51 ARG HB2 . 27643 1 585 . 1 1 51 51 ARG HB3 H 1 1.446 0 . . . . . . . 51 ARG HB3 . 27643 1 586 . 1 1 51 51 ARG HG2 H 1 1.177 0 . . . . . . . 51 ARG HG2 . 27643 1 587 . 1 1 51 51 ARG HG3 H 1 1.25 0.01 . . . . . . . 51 ARG HG3 . 27643 1 588 . 1 1 51 51 ARG HD2 H 1 2.663 0 . . . . . . . 51 ARG HD2 . 27643 1 589 . 1 1 51 51 ARG HD3 H 1 2.913 0 . . . . . . . 51 ARG HD3 . 27643 1 590 . 1 1 51 51 ARG C C 13 180.856 0 . . . . . . . 51 ARG C . 27643 1 591 . 1 1 51 51 ARG CA C 13 58.45 0 . . . . . . . 51 ARG CA . 27643 1 592 . 1 1 51 51 ARG CB C 13 28.946 0 . . . . . . . 51 ARG CB . 27643 1 593 . 1 1 51 51 ARG CG C 13 26.032 0 . . . . . . . 51 ARG CG . 27643 1 594 . 1 1 51 51 ARG CD C 13 42.194 0 . . . . . . . 51 ARG CD . 27643 1 595 . 1 1 51 51 ARG N N 15 122.767 0 . . . . . . . 51 ARG N . 27643 1 596 . 1 1 52 52 GLU H H 1 8.071 0 . . . . . . . 52 GLU H . 27643 1 597 . 1 1 52 52 GLU HA H 1 3.659 0 . . . . . . . 52 GLU HA . 27643 1 598 . 1 1 52 52 GLU HB2 H 1 1.912 0 . . . . . . . 52 GLU HB2 . 27643 1 599 . 1 1 52 52 GLU HB3 H 1 1.912 0 . . . . . . . 52 GLU HB3 . 27643 1 600 . 1 1 52 52 GLU HG2 H 1 2.162 0 . . . . . . . 52 GLU HG2 . 27643 1 601 . 1 1 52 52 GLU HG3 H 1 2.361 0 . . . . . . . 52 GLU HG3 . 27643 1 602 . 1 1 52 52 GLU C C 13 176.193 0 . . . . . . . 52 GLU C . 27643 1 603 . 1 1 52 52 GLU CA C 13 58.429 0 . . . . . . . 52 GLU CA . 27643 1 604 . 1 1 52 52 GLU CB C 13 28.754 0 . . . . . . . 52 GLU CB . 27643 1 605 . 1 1 52 52 GLU CG C 13 36.312 0 . . . . . . . 52 GLU CG . 27643 1 606 . 1 1 52 52 GLU N N 15 121.984 0 . . . . . . . 52 GLU N . 27643 1 607 . 1 1 53 53 ALA H H 1 6.929 0 . . . . . . . 53 ALA H . 27643 1 608 . 1 1 53 53 ALA HA H 1 4.253 0 . . . . . . . 53 ALA HA . 27643 1 609 . 1 1 53 53 ALA HB1 H 1 1.382 0 . . . . . . . 53 ALA QB . 27643 1 610 . 1 1 53 53 ALA HB2 H 1 1.382 0 . . . . . . . 53 ALA QB . 27643 1 611 . 1 1 53 53 ALA HB3 H 1 1.382 0 . . . . . . . 53 ALA QB . 27643 1 612 . 1 1 53 53 ALA C C 13 175.721 0 . . . . . . . 53 ALA C . 27643 1 613 . 1 1 53 53 ALA CA C 13 51.135 0 . . . . . . . 53 ALA CA . 27643 1 614 . 1 1 53 53 ALA CB C 13 18.95 0 . . . . . . . 53 ALA CB . 27643 1 615 . 1 1 53 53 ALA N N 15 118.182 0 . . . . . . . 53 ALA N . 27643 1 616 . 1 1 54 54 PHE H H 1 7.556 0 . . . . . . . 54 PHE H . 27643 1 617 . 1 1 54 54 PHE HA H 1 4.224 0 . . . . . . . 54 PHE HA . 27643 1 618 . 1 1 54 54 PHE HB2 H 1 3.25 0 . . . . . . . 54 PHE HB2 . 27643 1 619 . 1 1 54 54 PHE HB3 H 1 3.334 0 . . . . . . . 54 PHE HB3 . 27643 1 620 . 1 1 54 54 PHE C C 13 175.8 0 . . . . . . . 54 PHE C . 27643 1 621 . 1 1 54 54 PHE CA C 13 58.685 0 . . . . . . . 54 PHE CA . 27643 1 622 . 1 1 54 54 PHE CB C 13 34.937 0 . . . . . . . 54 PHE CB . 27643 1 623 . 1 1 54 54 PHE N N 15 114.134 0 . . . . . . . 54 PHE N . 27643 1 624 . 1 1 55 55 LEU H H 1 8.183 0 . . . . . . . 55 LEU H . 27643 1 625 . 1 1 55 55 LEU HA H 1 4.368 0 . . . . . . . 55 LEU HA . 27643 1 626 . 1 1 55 55 LEU HB2 H 1 1.457 0 . . . . . . . 55 LEU HB2 . 27643 1 627 . 1 1 55 55 LEU HB3 H 1 1.457 0 . . . . . . . 55 LEU HB3 . 27643 1 628 . 1 1 55 55 LEU HG H 1 1.596 0 . . . . . . . 55 LEU HG . 27643 1 629 . 1 1 55 55 LEU HD11 H 1 0.806 0 . . . . . . . 55 LEU QD1 . 27643 1 630 . 1 1 55 55 LEU HD12 H 1 0.806 0 . . . . . . . 55 LEU QD1 . 27643 1 631 . 1 1 55 55 LEU HD13 H 1 0.806 0 . . . . . . . 55 LEU QD1 . 27643 1 632 . 1 1 55 55 LEU HD21 H 1 0.937 0 . . . . . . . 55 LEU QD2 . 27643 1 633 . 1 1 55 55 LEU HD22 H 1 0.937 0 . . . . . . . 55 LEU QD2 . 27643 1 634 . 1 1 55 55 LEU HD23 H 1 0.937 0 . . . . . . . 55 LEU QD2 . 27643 1 635 . 1 1 55 55 LEU C C 13 177.056 0 . . . . . . . 55 LEU C . 27643 1 636 . 1 1 55 55 LEU CA C 13 55.71 0 . . . . . . . 55 LEU CA . 27643 1 637 . 1 1 55 55 LEU CB C 13 44.032 0 . . . . . . . 55 LEU CB . 27643 1 638 . 1 1 55 55 LEU CG C 13 26.021 0 . . . . . . . 55 LEU CG . 27643 1 639 . 1 1 55 55 LEU CD1 C 13 21.765 0 . . . . . . . 55 LEU CD1 . 27643 1 640 . 1 1 55 55 LEU CD2 C 13 26.021 0.01 . . . . . . . 55 LEU CD2 . 27643 1 641 . 1 1 55 55 LEU N N 15 116.657 0 . . . . . . . 55 LEU N . 27643 1 642 . 1 1 56 56 VAL H H 1 6.9 0 . . . . . . . 56 VAL H . 27643 1 643 . 1 1 56 56 VAL HA H 1 4.125 0.01 . . . . . . . 56 VAL HA . 27643 1 644 . 1 1 56 56 VAL HB H 1 2.056 0.01 . . . . . . . 56 VAL HB . 27643 1 645 . 1 1 56 56 VAL HG11 H 1 1.33 0 . . . . . . . 56 VAL QG1 . 27643 1 646 . 1 1 56 56 VAL HG12 H 1 1.33 0 . . . . . . . 56 VAL QG1 . 27643 1 647 . 1 1 56 56 VAL HG13 H 1 1.33 0 . . . . . . . 56 VAL QG1 . 27643 1 648 . 1 1 56 56 VAL HG21 H 1 1.33 0.01 . . . . . . . 56 VAL QG2 . 27643 1 649 . 1 1 56 56 VAL HG22 H 1 1.33 0.01 . . . . . . . 56 VAL QG2 . 27643 1 650 . 1 1 56 56 VAL HG23 H 1 1.33 0.01 . . . . . . . 56 VAL QG2 . 27643 1 651 . 1 1 56 56 VAL C C 13 172.45 0.01 . . . . . . . 56 VAL C . 27643 1 652 . 1 1 56 56 VAL CA C 13 58.842 0 . . . . . . . 56 VAL CA . 27643 1 653 . 1 1 56 56 VAL CB C 13 35.719 0 . . . . . . . 56 VAL CB . 27643 1 654 . 1 1 56 56 VAL CG1 C 13 17.964 0.01 . . . . . . . 56 VAL CG1 . 27643 1 655 . 1 1 56 56 VAL CG2 C 13 23.991 0.01 . . . . . . . 56 VAL CG2 . 27643 1 656 . 1 1 56 56 VAL N N 15 108.226 0 . . . . . . . 56 VAL N . 27643 1 657 . 1 1 57 57 ASN H H 1 7.952 0 . . . . . . . 57 ASN H . 27643 1 658 . 1 1 57 57 ASN HA H 1 4.853 0.01 . . . . . . . 57 ASN HA . 27643 1 659 . 1 1 57 57 ASN HB2 H 1 2.799 0 . . . . . . . 57 ASN HB2 . 27643 1 660 . 1 1 57 57 ASN HB3 H 1 2.942 0 . . . . . . . 57 ASN HB3 . 27643 1 661 . 1 1 57 57 ASN HD21 H 1 6.947 0 . . . . . . . 57 ASN HD21 . 27643 1 662 . 1 1 57 57 ASN HD22 H 1 7.634 0 . . . . . . . 57 ASN HD22 . 27643 1 663 . 1 1 57 57 ASN C C 13 174.556 0 . . . . . . . 57 ASN C . 27643 1 664 . 1 1 57 57 ASN CA C 13 52.426 0 . . . . . . . 57 ASN CA . 27643 1 665 . 1 1 57 57 ASN CB C 13 39.282 0 . . . . . . . 57 ASN CB . 27643 1 666 . 1 1 57 57 ASN N N 15 131.767 0 . . . . . . . 57 ASN N . 27643 1 667 . 1 1 57 57 ASN ND2 N 15 112.867 0 . . . . . . . 57 ASN ND2 . 27643 1 668 . 1 1 58 58 SER H H 1 7.467 0 . . . . . . . 58 SER H . 27643 1 669 . 1 1 58 58 SER HA H 1 4.134 0.01 . . . . . . . 58 SER HA . 27643 1 670 . 1 1 58 58 SER HB2 H 1 3.886 0 . . . . . . . 58 SER HB2 . 27643 1 671 . 1 1 58 58 SER HB3 H 1 4.134 0.01 . . . . . . . 58 SER HB3 . 27643 1 672 . 1 1 58 58 SER C C 13 174.089 0 . . . . . . . 58 SER C . 27643 1 673 . 1 1 58 58 SER CA C 13 56.676 0 . . . . . . . 58 SER CA . 27643 1 674 . 1 1 58 58 SER CB C 13 65.186 0 . . . . . . . 58 SER CB . 27643 1 675 . 1 1 58 58 SER N N 15 112.671 0 . . . . . . . 58 SER N . 27643 1 676 . 1 1 59 59 ASP H H 1 9.065 0 . . . . . . . 59 ASP H . 27643 1 677 . 1 1 59 59 ASP HA H 1 4.451 0 . . . . . . . 59 ASP HA . 27643 1 678 . 1 1 59 59 ASP HB2 H 1 2.655 0 . . . . . . . 59 ASP HB2 . 27643 1 679 . 1 1 59 59 ASP HB3 H 1 2.883 0 . . . . . . . 59 ASP HB3 . 27643 1 680 . 1 1 59 59 ASP C C 13 176.622 0.01 . . . . . . . 59 ASP C . 27643 1 681 . 1 1 59 59 ASP CA C 13 56.597 0 . . . . . . . 59 ASP CA . 27643 1 682 . 1 1 59 59 ASP CB C 13 38.314 0 . . . . . . . 59 ASP CB . 27643 1 683 . 1 1 59 59 ASP N N 15 125.617 0 . . . . . . . 59 ASP N . 27643 1 684 . 1 1 60 60 LEU H H 1 7.888 0 . . . . . . . 60 LEU H . 27643 1 685 . 1 1 60 60 LEU HA H 1 3.977 0 . . . . . . . 60 LEU HA . 27643 1 686 . 1 1 60 60 LEU HB2 H 1 1.536 0 . . . . . . . 60 LEU HB2 . 27643 1 687 . 1 1 60 60 LEU HB3 H 1 1.688 0 . . . . . . . 60 LEU HB3 . 27643 1 688 . 1 1 60 60 LEU HG H 1 1.538 0.01 . . . . . . . 60 LEU HG . 27643 1 689 . 1 1 60 60 LEU HD11 H 1 0.802 0 . . . . . . . 60 LEU QD1 . 27643 1 690 . 1 1 60 60 LEU HD12 H 1 0.802 0 . . . . . . . 60 LEU QD1 . 27643 1 691 . 1 1 60 60 LEU HD13 H 1 0.802 0 . . . . . . . 60 LEU QD1 . 27643 1 692 . 1 1 60 60 LEU HD21 H 1 0.902 0 . . . . . . . 60 LEU QD2 . 27643 1 693 . 1 1 60 60 LEU HD22 H 1 0.902 0 . . . . . . . 60 LEU QD2 . 27643 1 694 . 1 1 60 60 LEU HD23 H 1 0.902 0 . . . . . . . 60 LEU QD2 . 27643 1 695 . 1 1 60 60 LEU C C 13 180.113 0 . . . . . . . 60 LEU C . 27643 1 696 . 1 1 60 60 LEU CA C 13 57.906 0 . . . . . . . 60 LEU CA . 27643 1 697 . 1 1 60 60 LEU CB C 13 41.054 0 . . . . . . . 60 LEU CB . 27643 1 698 . 1 1 60 60 LEU CG C 13 26.633 0 . . . . . . . 60 LEU CG . 27643 1 699 . 1 1 60 60 LEU CD1 C 13 23.037 0 . . . . . . . 60 LEU CD1 . 27643 1 700 . 1 1 60 60 LEU CD2 C 13 24.355 0 . . . . . . . 60 LEU CD2 . 27643 1 701 . 1 1 60 60 LEU N N 15 123.064 0 . . . . . . . 60 LEU N . 27643 1 702 . 1 1 61 61 THR H H 1 7.616 0 . . . . . . . 61 THR H . 27643 1 703 . 1 1 61 61 THR HA H 1 4.197 0.01 . . . . . . . 61 THR HA . 27643 1 704 . 1 1 61 61 THR HB H 1 4.01 0 . . . . . . . 61 THR HB . 27643 1 705 . 1 1 61 61 THR HG21 H 1 1.326 0 . . . . . . . 61 THR QG2 . 27643 1 706 . 1 1 61 61 THR HG22 H 1 1.326 0 . . . . . . . 61 THR QG2 . 27643 1 707 . 1 1 61 61 THR HG23 H 1 1.326 0 . . . . . . . 61 THR QG2 . 27643 1 708 . 1 1 61 61 THR C C 13 177.192 0 . . . . . . . 61 THR C . 27643 1 709 . 1 1 61 61 THR CA C 13 65.378 0 . . . . . . . 61 THR CA . 27643 1 710 . 1 1 61 61 THR CB C 13 68.261 0.01 . . . . . . . 61 THR CB . 27643 1 711 . 1 1 61 61 THR CG2 C 13 22.364 0 . . . . . . . 61 THR CG2 . 27643 1 712 . 1 1 61 61 THR N N 15 117.116 0 . . . . . . . 61 THR N . 27643 1 713 . 1 1 62 62 LEU H H 1 7.436 0 . . . . . . . 62 LEU H . 27643 1 714 . 1 1 62 62 LEU HA H 1 4.199 0 . . . . . . . 62 LEU HA . 27643 1 715 . 1 1 62 62 LEU HB2 H 1 1.429 0 . . . . . . . 62 LEU HB2 . 27643 1 716 . 1 1 62 62 LEU HB3 H 1 2.13 0.01 . . . . . . . 62 LEU HB3 . 27643 1 717 . 1 1 62 62 LEU HG H 1 1.678 0 . . . . . . . 62 LEU HG . 27643 1 718 . 1 1 62 62 LEU HD11 H 1 0.591 0 . . . . . . . 62 LEU QD1 . 27643 1 719 . 1 1 62 62 LEU HD12 H 1 0.591 0 . . . . . . . 62 LEU QD1 . 27643 1 720 . 1 1 62 62 LEU HD13 H 1 0.591 0 . . . . . . . 62 LEU QD1 . 27643 1 721 . 1 1 62 62 LEU HD21 H 1 0.901 0 . . . . . . . 62 LEU QD2 . 27643 1 722 . 1 1 62 62 LEU HD22 H 1 0.901 0 . . . . . . . 62 LEU QD2 . 27643 1 723 . 1 1 62 62 LEU HD23 H 1 0.901 0 . . . . . . . 62 LEU QD2 . 27643 1 724 . 1 1 62 62 LEU C C 13 177.922 0 . . . . . . . 62 LEU C . 27643 1 725 . 1 1 62 62 LEU CA C 13 57.406 0 . . . . . . . 62 LEU CA . 27643 1 726 . 1 1 62 62 LEU CB C 13 40.927 0 . . . . . . . 62 LEU CB . 27643 1 727 . 1 1 62 62 LEU CG C 13 25.932 0 . . . . . . . 62 LEU CG . 27643 1 728 . 1 1 62 62 LEU CD1 C 13 22.6 0 . . . . . . . 62 LEU CD1 . 27643 1 729 . 1 1 62 62 LEU CD2 C 13 25.932 0.01 . . . . . . . 62 LEU CD2 . 27643 1 730 . 1 1 62 62 LEU N N 15 122.368 0 . . . . . . . 62 LEU N . 27643 1 731 . 1 1 63 63 ARG H H 1 8.783 0 . . . . . . . 63 ARG H . 27643 1 732 . 1 1 63 63 ARG HA H 1 3.929 0 . . . . . . . 63 ARG HA . 27643 1 733 . 1 1 63 63 ARG HB2 H 1 1.842 0 . . . . . . . 63 ARG HB2 . 27643 1 734 . 1 1 63 63 ARG HB3 H 1 1.935 0 . . . . . . . 63 ARG HB3 . 27643 1 735 . 1 1 63 63 ARG HG2 H 1 1.497 0 . . . . . . . 63 ARG HG2 . 27643 1 736 . 1 1 63 63 ARG HG3 H 1 1.751 0 . . . . . . . 63 ARG HG3 . 27643 1 737 . 1 1 63 63 ARG HD2 H 1 2.843 0 . . . . . . . 63 ARG HD2 . 27643 1 738 . 1 1 63 63 ARG HD3 H 1 2.946 0 . . . . . . . 63 ARG HD3 . 27643 1 739 . 1 1 63 63 ARG C C 13 178.759 0 . . . . . . . 63 ARG C . 27643 1 740 . 1 1 63 63 ARG CA C 13 60.405 0 . . . . . . . 63 ARG CA . 27643 1 741 . 1 1 63 63 ARG CB C 13 28.842 0 . . . . . . . 63 ARG CB . 27643 1 742 . 1 1 63 63 ARG CG C 13 27.936 0 . . . . . . . 63 ARG CG . 27643 1 743 . 1 1 63 63 ARG CD C 13 42.26 0 . . . . . . . 63 ARG CD . 27643 1 744 . 1 1 63 63 ARG N N 15 120.092 0 . . . . . . . 63 ARG N . 27643 1 745 . 1 1 64 64 ALA H H 1 7.843 0 . . . . . . . 64 ALA H . 27643 1 746 . 1 1 64 64 ALA HA H 1 4.173 0 . . . . . . . 64 ALA HA . 27643 1 747 . 1 1 64 64 ALA HB1 H 1 1.498 0 . . . . . . . 64 ALA QB . 27643 1 748 . 1 1 64 64 ALA HB2 H 1 1.498 0 . . . . . . . 64 ALA QB . 27643 1 749 . 1 1 64 64 ALA HB3 H 1 1.498 0 . . . . . . . 64 ALA QB . 27643 1 750 . 1 1 64 64 ALA C C 13 180.285 0 . . . . . . . 64 ALA C . 27643 1 751 . 1 1 64 64 ALA CA C 13 54.999 0 . . . . . . . 64 ALA CA . 27643 1 752 . 1 1 64 64 ALA CB C 13 17.26 0 . . . . . . . 64 ALA CB . 27643 1 753 . 1 1 64 64 ALA N N 15 122.535 0 . . . . . . . 64 ALA N . 27643 1 754 . 1 1 65 65 GLN H H 1 7.908 0 . . . . . . . 65 GLN H . 27643 1 755 . 1 1 65 65 GLN HA H 1 4.094 0 . . . . . . . 65 GLN HA . 27643 1 756 . 1 1 65 65 GLN HB2 H 1 1.515 0 . . . . . . . 65 GLN HB2 . 27643 1 757 . 1 1 65 65 GLN HB3 H 1 2.129 0 . . . . . . . 65 GLN HB3 . 27643 1 758 . 1 1 65 65 GLN HG2 H 1 2.076 0.01 . . . . . . . 65 GLN HG2 . 27643 1 759 . 1 1 65 65 GLN HG3 H 1 2.076 0 . . . . . . . 65 GLN HG3 . 27643 1 760 . 1 1 65 65 GLN HE21 H 1 8.08 0.01 . . . . . . . 65 GLN HE21 . 27643 1 761 . 1 1 65 65 GLN HE22 H 1 8.134 0.01 . . . . . . . 65 GLN HE22 . 27643 1 762 . 1 1 65 65 GLN C C 13 178.567 0 . . . . . . . 65 GLN C . 27643 1 763 . 1 1 65 65 GLN CA C 13 56.846 0 . . . . . . . 65 GLN CA . 27643 1 764 . 1 1 65 65 GLN CB C 13 28.627 0 . . . . . . . 65 GLN CB . 27643 1 765 . 1 1 65 65 GLN CG C 13 34.093 0 . . . . . . . 65 GLN CG . 27643 1 766 . 1 1 65 65 GLN N N 15 120.518 0 . . . . . . . 65 GLN N . 27643 1 767 . 1 1 65 65 GLN NE2 N 15 109.212 0.01 . . . . . . . 65 GLN NE2 . 27643 1 768 . 1 1 66 66 LEU H H 1 8.774 0 . . . . . . . 66 LEU H . 27643 1 769 . 1 1 66 66 LEU HA H 1 4.077 0 . . . . . . . 66 LEU HA . 27643 1 770 . 1 1 66 66 LEU HB2 H 1 1.559 0 . . . . . . . 66 LEU HB2 . 27643 1 771 . 1 1 66 66 LEU HB3 H 1 2.155 0 . . . . . . . 66 LEU HB3 . 27643 1 772 . 1 1 66 66 LEU HG H 1 1.172 0.01 . . . . . . . 66 LEU HG . 27643 1 773 . 1 1 66 66 LEU HD11 H 1 1.093 0 . . . . . . . 66 LEU QD1 . 27643 1 774 . 1 1 66 66 LEU HD12 H 1 1.093 0 . . . . . . . 66 LEU QD1 . 27643 1 775 . 1 1 66 66 LEU HD13 H 1 1.093 0 . . . . . . . 66 LEU QD1 . 27643 1 776 . 1 1 66 66 LEU HD21 H 1 1.178 0.01 . . . . . . . 66 LEU QD2 . 27643 1 777 . 1 1 66 66 LEU HD22 H 1 1.178 0.01 . . . . . . . 66 LEU QD2 . 27643 1 778 . 1 1 66 66 LEU HD23 H 1 1.178 0.01 . . . . . . . 66 LEU QD2 . 27643 1 779 . 1 1 66 66 LEU C C 13 179.059 0 . . . . . . . 66 LEU C . 27643 1 780 . 1 1 66 66 LEU CA C 13 58 0 . . . . . . . 66 LEU CA . 27643 1 781 . 1 1 66 66 LEU CB C 13 40.255 0 . . . . . . . 66 LEU CB . 27643 1 782 . 1 1 66 66 LEU CG C 13 26.398 0 . . . . . . . 66 LEU CG . 27643 1 783 . 1 1 66 66 LEU CD1 C 13 22.618 0 . . . . . . . 66 LEU CD1 . 27643 1 784 . 1 1 66 66 LEU CD2 C 13 26.349 0.01 . . . . . . . 66 LEU CD2 . 27643 1 785 . 1 1 66 66 LEU N N 15 120.81 0 . . . . . . . 66 LEU N . 27643 1 786 . 1 1 67 67 THR H H 1 8.145 0 . . . . . . . 67 THR H . 27643 1 787 . 1 1 67 67 THR HA H 1 4.322 0.01 . . . . . . . 67 THR HA . 27643 1 788 . 1 1 67 67 THR HB H 1 3.845 0.01 . . . . . . . 67 THR HB . 27643 1 789 . 1 1 67 67 THR HG21 H 1 1.213 0 . . . . . . . 67 THR QG2 . 27643 1 790 . 1 1 67 67 THR HG22 H 1 1.213 0 . . . . . . . 67 THR QG2 . 27643 1 791 . 1 1 67 67 THR HG23 H 1 1.213 0 . . . . . . . 67 THR QG2 . 27643 1 792 . 1 1 67 67 THR C C 13 175.121 0 . . . . . . . 67 THR C . 27643 1 793 . 1 1 67 67 THR CA C 13 66.931 0 . . . . . . . 67 THR CA . 27643 1 794 . 1 1 67 67 THR CB C 13 68.207 0.01 . . . . . . . 67 THR CB . 27643 1 795 . 1 1 67 67 THR CG2 C 13 21.655 0 . . . . . . . 67 THR CG2 . 27643 1 796 . 1 1 67 67 THR N N 15 118.751 0 . . . . . . . 67 THR N . 27643 1 797 . 1 1 68 68 GLU H H 1 7.31 0 . . . . . . . 68 GLU H . 27643 1 798 . 1 1 68 68 GLU HA H 1 4.23 0 . . . . . . . 68 GLU HA . 27643 1 799 . 1 1 68 68 GLU HB2 H 1 1.67 0.01 . . . . . . . 68 GLU HB2 . 27643 1 800 . 1 1 68 68 GLU HB3 H 1 2.006 0 . . . . . . . 68 GLU HB3 . 27643 1 801 . 1 1 68 68 GLU HG2 H 1 2.359 0 . . . . . . . 68 GLU HG2 . 27643 1 802 . 1 1 68 68 GLU HG3 H 1 2.693 0 . . . . . . . 68 GLU HG3 . 27643 1 803 . 1 1 68 68 GLU C C 13 179.203 0 . . . . . . . 68 GLU C . 27643 1 804 . 1 1 68 68 GLU CA C 13 59.61 0 . . . . . . . 68 GLU CA . 27643 1 805 . 1 1 68 68 GLU CB C 13 29.042 0 . . . . . . . 68 GLU CB . 27643 1 806 . 1 1 68 68 GLU CG C 13 35.368 0 . . . . . . . 68 GLU CG . 27643 1 807 . 1 1 68 68 GLU N N 15 122.346 0 . . . . . . . 68 GLU N . 27643 1 808 . 1 1 69 69 PHE H H 1 8.073 0 . . . . . . . 69 PHE H . 27643 1 809 . 1 1 69 69 PHE HA H 1 4.53 0 . . . . . . . 69 PHE HA . 27643 1 810 . 1 1 69 69 PHE HB2 H 1 3.204 0 . . . . . . . 69 PHE HB2 . 27643 1 811 . 1 1 69 69 PHE HB3 H 1 3.547 0 . . . . . . . 69 PHE HB3 . 27643 1 812 . 1 1 69 69 PHE C C 13 178.75 0 . . . . . . . 69 PHE C . 27643 1 813 . 1 1 69 69 PHE CA C 13 58.045 0 . . . . . . . 69 PHE CA . 27643 1 814 . 1 1 69 69 PHE CB C 13 37.484 0 . . . . . . . 69 PHE CB . 27643 1 815 . 1 1 69 69 PHE N N 15 116.516 0 . . . . . . . 69 PHE N . 27643 1 816 . 1 1 70 70 ARG H H 1 8.969 0 . . . . . . . 70 ARG H . 27643 1 817 . 1 1 70 70 ARG HA H 1 4.12 0 . . . . . . . 70 ARG HA . 27643 1 818 . 1 1 70 70 ARG HB2 H 1 1.962 0 . . . . . . . 70 ARG HB2 . 27643 1 819 . 1 1 70 70 ARG HB3 H 1 2.226 0 . . . . . . . 70 ARG HB3 . 27643 1 820 . 1 1 70 70 ARG HG2 H 1 1.694 0 . . . . . . . 70 ARG HG2 . 27643 1 821 . 1 1 70 70 ARG HG3 H 1 1.916 0 . . . . . . . 70 ARG HG3 . 27643 1 822 . 1 1 70 70 ARG HD2 H 1 3.237 0 . . . . . . . 70 ARG HD2 . 27643 1 823 . 1 1 70 70 ARG HD3 H 1 3.294 0 . . . . . . . 70 ARG HD3 . 27643 1 824 . 1 1 70 70 ARG C C 13 180.497 0 . . . . . . . 70 ARG C . 27643 1 825 . 1 1 70 70 ARG CA C 13 60.174 0 . . . . . . . 70 ARG CA . 27643 1 826 . 1 1 70 70 ARG CB C 13 29.531 0 . . . . . . . 70 ARG CB . 27643 1 827 . 1 1 70 70 ARG CG C 13 27.062 0 . . . . . . . 70 ARG CG . 27643 1 828 . 1 1 70 70 ARG CD C 13 43.272 0 . . . . . . . 70 ARG CD . 27643 1 829 . 1 1 70 70 ARG N N 15 123.776 0 . . . . . . . 70 ARG N . 27643 1 830 . 1 1 71 71 ASP H H 1 8.703 0 . . . . . . . 71 ASP H . 27643 1 831 . 1 1 71 71 ASP HA H 1 4.419 0 . . . . . . . 71 ASP HA . 27643 1 832 . 1 1 71 71 ASP HB2 H 1 2.454 0 . . . . . . . 71 ASP HB2 . 27643 1 833 . 1 1 71 71 ASP HB3 H 1 2.796 0 . . . . . . . 71 ASP HB3 . 27643 1 834 . 1 1 71 71 ASP C C 13 177.631 0 . . . . . . . 71 ASP C . 27643 1 835 . 1 1 71 71 ASP CA C 13 57.163 0 . . . . . . . 71 ASP CA . 27643 1 836 . 1 1 71 71 ASP CB C 13 39.491 0 . . . . . . . 71 ASP CB . 27643 1 837 . 1 1 71 71 ASP N N 15 124.217 0 . . . . . . . 71 ASP N . 27643 1 838 . 1 1 72 72 HIS H H 1 7.381 0 . . . . . . . 72 HIS H . 27643 1 839 . 1 1 72 72 HIS HA H 1 4.633 0 . . . . . . . 72 HIS HA . 27643 1 840 . 1 1 72 72 HIS HB2 H 1 2.727 0 . . . . . . . 72 HIS HB2 . 27643 1 841 . 1 1 72 72 HIS HB3 H 1 3.421 0 . . . . . . . 72 HIS HB3 . 27643 1 842 . 1 1 72 72 HIS C C 13 173.045 0 . . . . . . . 72 HIS C . 27643 1 843 . 1 1 72 72 HIS CA C 13 56.358 0 . . . . . . . 72 HIS CA . 27643 1 844 . 1 1 72 72 HIS CB C 13 30.642 0 . . . . . . . 72 HIS CB . 27643 1 845 . 1 1 72 72 HIS N N 15 116.573 0 . . . . . . . 72 HIS N . 27643 1 846 . 1 1 73 73 LYS H H 1 8.201 0 . . . . . . . 73 LYS H . 27643 1 847 . 1 1 73 73 LYS HA H 1 4.088 0 . . . . . . . 73 LYS HA . 27643 1 848 . 1 1 73 73 LYS HB2 H 1 2.017 0 . . . . . . . 73 LYS HB2 . 27643 1 849 . 1 1 73 73 LYS HB3 H 1 2.2 0 . . . . . . . 73 LYS HB3 . 27643 1 850 . 1 1 73 73 LYS HG2 H 1 1.389 0 . . . . . . . 73 LYS HG2 . 27643 1 851 . 1 1 73 73 LYS HG3 H 1 1.389 0.01 . . . . . . . 73 LYS HG3 . 27643 1 852 . 1 1 73 73 LYS HD2 H 1 1.694 0.01 . . . . . . . 73 LYS HD2 . 27643 1 853 . 1 1 73 73 LYS HD3 H 1 1.764 0.01 . . . . . . . 73 LYS HD3 . 27643 1 854 . 1 1 73 73 LYS HE2 H 1 2.755 0 . . . . . . . 73 LYS HE2 . 27643 1 855 . 1 1 73 73 LYS HE3 H 1 3.043 0 . . . . . . . 73 LYS HE3 . 27643 1 856 . 1 1 73 73 LYS C C 13 175.379 0 . . . . . . . 73 LYS C . 27643 1 857 . 1 1 73 73 LYS CA C 13 57.223 0 . . . . . . . 73 LYS CA . 27643 1 858 . 1 1 73 73 LYS CB C 13 28.104 0 . . . . . . . 73 LYS CB . 27643 1 859 . 1 1 73 73 LYS CG C 13 24.627 0 . . . . . . . 73 LYS CG . 27643 1 860 . 1 1 73 73 LYS CD C 13 28.219 0.01 . . . . . . . 73 LYS CD . 27643 1 861 . 1 1 73 73 LYS CE C 13 41.998 0 . . . . . . . 73 LYS CE . 27643 1 862 . 1 1 73 73 LYS N N 15 114.352 0 . . . . . . . 73 LYS N . 27643 1 863 . 1 1 74 74 LEU H H 1 8.101 0 . . . . . . . 74 LEU H . 27643 1 864 . 1 1 74 74 LEU HA H 1 4.162 0 . . . . . . . 74 LEU HA . 27643 1 865 . 1 1 74 74 LEU HB2 H 1 1.352 0 . . . . . . . 74 LEU HB2 . 27643 1 866 . 1 1 74 74 LEU HB3 H 1 1.462 0 . . . . . . . 74 LEU HB3 . 27643 1 867 . 1 1 74 74 LEU HG H 1 1.472 0.01 . . . . . . . 74 LEU HG . 27643 1 868 . 1 1 74 74 LEU HD11 H 1 0.223 0 . . . . . . . 74 LEU QD1 . 27643 1 869 . 1 1 74 74 LEU HD12 H 1 0.223 0 . . . . . . . 74 LEU QD1 . 27643 1 870 . 1 1 74 74 LEU HD13 H 1 0.223 0 . . . . . . . 74 LEU QD1 . 27643 1 871 . 1 1 74 74 LEU HD21 H 1 0.384 0 . . . . . . . 74 LEU QD2 . 27643 1 872 . 1 1 74 74 LEU HD22 H 1 0.384 0 . . . . . . . 74 LEU QD2 . 27643 1 873 . 1 1 74 74 LEU HD23 H 1 0.384 0 . . . . . . . 74 LEU QD2 . 27643 1 874 . 1 1 74 74 LEU C C 13 175.213 0 . . . . . . . 74 LEU C . 27643 1 875 . 1 1 74 74 LEU CA C 13 54.996 0 . . . . . . . 74 LEU CA . 27643 1 876 . 1 1 74 74 LEU CB C 13 43.436 0 . . . . . . . 74 LEU CB . 27643 1 877 . 1 1 74 74 LEU CG C 13 25.153 0 . . . . . . . 74 LEU CG . 27643 1 878 . 1 1 74 74 LEU CD1 C 13 21.417 0 . . . . . . . 74 LEU CD1 . 27643 1 879 . 1 1 74 74 LEU CD2 C 13 25.153 0.01 . . . . . . . 74 LEU CD2 . 27643 1 880 . 1 1 74 74 LEU N N 15 114.379 0 . . . . . . . 74 LEU N . 27643 1 881 . 1 1 75 75 ILE H H 1 6.833 0 . . . . . . . 75 ILE H . 27643 1 882 . 1 1 75 75 ILE HA H 1 1.69 0 . . . . . . . 75 ILE HA . 27643 1 883 . 1 1 75 75 ILE HB H 1 1.69 0 . . . . . . . 75 ILE HB . 27643 1 884 . 1 1 75 75 ILE HG12 H 1 0.859 0.01 . . . . . . . 75 ILE HG12 . 27643 1 885 . 1 1 75 75 ILE HG13 H 1 0.859 0.01 . . . . . . . 75 ILE HG13 . 27643 1 886 . 1 1 75 75 ILE HG21 H 1 0.859 0.01 . . . . . . . 75 ILE QG2 . 27643 1 887 . 1 1 75 75 ILE HG22 H 1 0.859 0.01 . . . . . . . 75 ILE QG2 . 27643 1 888 . 1 1 75 75 ILE HG23 H 1 0.859 0.01 . . . . . . . 75 ILE QG2 . 27643 1 889 . 1 1 75 75 ILE HD11 H 1 0.092 0.01 . . . . . . . 75 ILE QD1 . 27643 1 890 . 1 1 75 75 ILE HD12 H 1 0.092 0.01 . . . . . . . 75 ILE QD1 . 27643 1 891 . 1 1 75 75 ILE HD13 H 1 0.092 0.01 . . . . . . . 75 ILE QD1 . 27643 1 892 . 1 1 75 75 ILE C C 13 174.065 0 . . . . . . . 75 ILE C . 27643 1 893 . 1 1 75 75 ILE CA C 13 58.167 0 . . . . . . . 75 ILE CA . 27643 1 894 . 1 1 75 75 ILE CB C 13 43.476 0 . . . . . . . 75 ILE CB . 27643 1 895 . 1 1 75 75 ILE CG1 C 13 26.436 0 . . . . . . . 75 ILE CG1 . 27643 1 896 . 1 1 75 75 ILE CG2 C 13 18.043 0 . . . . . . . 75 ILE CG2 . 27643 1 897 . 1 1 75 75 ILE CD1 C 13 14.817 0 . . . . . . . 75 ILE CD1 . 27643 1 898 . 1 1 75 75 ILE N N 15 115.46 0 . . . . . . . 75 ILE N . 27643 1 899 . 1 1 76 76 ARG H H 1 9.228 0 . . . . . . . 76 ARG H . 27643 1 900 . 1 1 76 76 ARG HA H 1 4.715 0 . . . . . . . 76 ARG HA . 27643 1 901 . 1 1 76 76 ARG HB2 H 1 1.66 0 . . . . . . . 76 ARG HB2 . 27643 1 902 . 1 1 76 76 ARG HB3 H 1 1.782 0 . . . . . . . 76 ARG HB3 . 27643 1 903 . 1 1 76 76 ARG HG2 H 1 1.55 0 . . . . . . . 76 ARG HG2 . 27643 1 904 . 1 1 76 76 ARG HG3 H 1 1.789 0.01 . . . . . . . 76 ARG HG3 . 27643 1 905 . 1 1 76 76 ARG HD2 H 1 3.166 0 . . . . . . . 76 ARG HD2 . 27643 1 906 . 1 1 76 76 ARG HD3 H 1 3.166 0.01 . . . . . . . 76 ARG HD3 . 27643 1 907 . 1 1 76 76 ARG C C 13 174.167 0 . . . . . . . 76 ARG C . 27643 1 908 . 1 1 76 76 ARG CA C 13 54.625 0 . . . . . . . 76 ARG CA . 27643 1 909 . 1 1 76 76 ARG CB C 13 33.368 0 . . . . . . . 76 ARG CB . 27643 1 910 . 1 1 76 76 ARG CG C 13 26.547 0 . . . . . . . 76 ARG CG . 27643 1 911 . 1 1 76 76 ARG CD C 13 43.121 0 . . . . . . . 76 ARG CD . 27643 1 912 . 1 1 76 76 ARG N N 15 124.02 0 . . . . . . . 76 ARG N . 27643 1 913 . 1 1 77 77 THR H H 1 8.579 0 . . . . . . . 77 THR H . 27643 1 914 . 1 1 77 77 THR HA H 1 4.046 0 . . . . . . . 77 THR HA . 27643 1 915 . 1 1 77 77 THR HB H 1 4.046 0 . . . . . . . 77 THR HB . 27643 1 916 . 1 1 77 77 THR HG21 H 1 1.08 0 . . . . . . . 77 THR QG2 . 27643 1 917 . 1 1 77 77 THR HG22 H 1 1.08 0 . . . . . . . 77 THR QG2 . 27643 1 918 . 1 1 77 77 THR HG23 H 1 1.08 0 . . . . . . . 77 THR QG2 . 27643 1 919 . 1 1 77 77 THR C C 13 174.047 0 . . . . . . . 77 THR C . 27643 1 920 . 1 1 77 77 THR CA C 13 59.8 0 . . . . . . . 77 THR CA . 27643 1 921 . 1 1 77 77 THR CB C 13 70.39 0 . . . . . . . 77 THR CB . 27643 1 922 . 1 1 77 77 THR CG2 C 13 21.387 0 . . . . . . . 77 THR CG2 . 27643 1 923 . 1 1 77 77 THR N N 15 116.345 0 . . . . . . . 77 THR N . 27643 1 924 . 1 1 78 78 LYS H H 1 8.978 0 . . . . . . . 78 LYS H . 27643 1 925 . 1 1 78 78 LYS HA H 1 4.585 0 . . . . . . . 78 LYS HA . 27643 1 926 . 1 1 78 78 LYS HB2 H 1 1.629 0 . . . . . . . 78 LYS HB2 . 27643 1 927 . 1 1 78 78 LYS HB3 H 1 1.759 0 . . . . . . . 78 LYS HB3 . 27643 1 928 . 1 1 78 78 LYS HG2 H 1 1.31 0 . . . . . . . 78 LYS HG2 . 27643 1 929 . 1 1 78 78 LYS HG3 H 1 1.614 0.01 . . . . . . . 78 LYS HG3 . 27643 1 930 . 1 1 78 78 LYS HD2 H 1 1.31 0.01 . . . . . . . 78 LYS HD2 . 27643 1 931 . 1 1 78 78 LYS HD3 H 1 1.764 0.01 . . . . . . . 78 LYS HD3 . 27643 1 932 . 1 1 78 78 LYS HE2 H 1 2.876 0 . . . . . . . 78 LYS HE2 . 27643 1 933 . 1 1 78 78 LYS HE3 H 1 2.876 0.01 . . . . . . . 78 LYS HE3 . 27643 1 934 . 1 1 78 78 LYS C C 13 174.602 0 . . . . . . . 78 LYS C . 27643 1 935 . 1 1 78 78 LYS CA C 13 54.957 0 . . . . . . . 78 LYS CA . 27643 1 936 . 1 1 78 78 LYS CB C 13 35.317 0 . . . . . . . 78 LYS CB . 27643 1 937 . 1 1 78 78 LYS CG C 13 24.253 0 . . . . . . . 78 LYS CG . 27643 1 938 . 1 1 78 78 LYS CD C 13 28.635 0 . . . . . . . 78 LYS CD . 27643 1 939 . 1 1 78 78 LYS CE C 13 41.42 0 . . . . . . . 78 LYS CE . 27643 1 940 . 1 1 78 78 LYS N N 15 126.162 0 . . . . . . . 78 LYS N . 27643 1 941 . 1 1 79 79 LYS H H 1 8.751 0 . . . . . . . 79 LYS H . 27643 1 942 . 1 1 79 79 LYS HA H 1 2.905 0.01 . . . . . . . 79 LYS HA . 27643 1 943 . 1 1 79 79 LYS HB2 H 1 1.703 0.01 . . . . . . . 79 LYS HB2 . 27643 1 944 . 1 1 79 79 LYS HB3 H 1 1.704 0 . . . . . . . 79 LYS HB3 . 27643 1 945 . 1 1 79 79 LYS HG2 H 1 0.051 0.01 . . . . . . . 79 LYS HG2 . 27643 1 946 . 1 1 79 79 LYS HG3 H 1 1.326 0.01 . . . . . . . 79 LYS HG3 . 27643 1 947 . 1 1 79 79 LYS HD2 H 1 1.326 0.01 . . . . . . . 79 LYS HD2 . 27643 1 948 . 1 1 79 79 LYS HD3 H 1 1.605 0.01 . . . . . . . 79 LYS HD3 . 27643 1 949 . 1 1 79 79 LYS HE2 H 1 2.905 0 . . . . . . . 79 LYS HE2 . 27643 1 950 . 1 1 79 79 LYS HE3 H 1 2.905 0.01 . . . . . . . 79 LYS HE3 . 27643 1 951 . 1 1 79 79 LYS C C 13 177.585 0 . . . . . . . 79 LYS C . 27643 1 952 . 1 1 79 79 LYS CA C 13 55.24 0 . . . . . . . 79 LYS CA . 27643 1 953 . 1 1 79 79 LYS CB C 13 33.043 0 . . . . . . . 79 LYS CB . 27643 1 954 . 1 1 79 79 LYS CG C 13 24.468 0 . . . . . . . 79 LYS CG . 27643 1 955 . 1 1 79 79 LYS CD C 13 28.702 0 . . . . . . . 79 LYS CD . 27643 1 956 . 1 1 79 79 LYS CE C 13 41.382 0 . . . . . . . 79 LYS CE . 27643 1 957 . 1 1 79 79 LYS N N 15 126.412 0 . . . . . . . 79 LYS N . 27643 1 958 . 1 1 80 80 GLY H H 1 9.385 0 . . . . . . . 80 GLY H . 27643 1 959 . 1 1 80 80 GLY HA2 H 1 4.135 0.01 . . . . . . . 80 GLY HA2 . 27643 1 960 . 1 1 80 80 GLY HA3 H 1 4.468 0 . . . . . . . 80 GLY HA3 . 27643 1 961 . 1 1 80 80 GLY CA C 13 44.137 0 . . . . . . . 80 GLY CA . 27643 1 962 . 1 1 80 80 GLY N N 15 113.52 0 . . . . . . . 80 GLY N . 27643 1 963 . 1 1 81 81 THR H H 1 8.922 0 . . . . . . . 81 THR H . 27643 1 964 . 1 1 81 81 THR HA H 1 4.083 0.01 . . . . . . . 81 THR HA . 27643 1 965 . 1 1 81 81 THR HB H 1 4.083 0.01 . . . . . . . 81 THR HB . 27643 1 966 . 1 1 81 81 THR HG21 H 1 1.309 0 . . . . . . . 81 THR QG2 . 27643 1 967 . 1 1 81 81 THR HG22 H 1 1.309 0 . . . . . . . 81 THR QG2 . 27643 1 968 . 1 1 81 81 THR HG23 H 1 1.309 0 . . . . . . . 81 THR QG2 . 27643 1 969 . 1 1 81 81 THR C C 13 174.744 0 . . . . . . . 81 THR C . 27643 1 970 . 1 1 81 81 THR CA C 13 64.483 0 . . . . . . . 81 THR CA . 27643 1 971 . 1 1 81 81 THR CB C 13 68.183 0 . . . . . . . 81 THR CB . 27643 1 972 . 1 1 81 81 THR CG2 C 13 21.744 0 . . . . . . . 81 THR CG2 . 27643 1 973 . 1 1 81 81 THR N N 15 116.461 0 . . . . . . . 81 THR N . 27643 1 974 . 1 1 82 82 ASP H H 1 8.386 0 . . . . . . . 82 ASP H . 27643 1 975 . 1 1 82 82 ASP HA H 1 4.437 0 . . . . . . . 82 ASP HA . 27643 1 976 . 1 1 82 82 ASP HB2 H 1 2.704 0 . . . . . . . 82 ASP HB2 . 27643 1 977 . 1 1 82 82 ASP HB3 H 1 3.006 0 . . . . . . . 82 ASP HB3 . 27643 1 978 . 1 1 82 82 ASP C C 13 176.825 0 . . . . . . . 82 ASP C . 27643 1 979 . 1 1 82 82 ASP CA C 13 53.171 0 . . . . . . . 82 ASP CA . 27643 1 980 . 1 1 82 82 ASP CB C 13 39.727 0 . . . . . . . 82 ASP CB . 27643 1 981 . 1 1 82 82 ASP N N 15 119.819 0 . . . . . . . 82 ASP N . 27643 1 982 . 1 1 83 83 GLY H H 1 8.073 0 . . . . . . . 83 GLY H . 27643 1 983 . 1 1 83 83 GLY HA2 H 1 3.56 0 . . . . . . . 83 GLY HA2 . 27643 1 984 . 1 1 83 83 GLY HA3 H 1 4.171 0 . . . . . . . 83 GLY HA3 . 27643 1 985 . 1 1 83 83 GLY C C 13 173.333 0 . . . . . . . 83 GLY C . 27643 1 986 . 1 1 83 83 GLY CA C 13 45.243 0 . . . . . . . 83 GLY CA . 27643 1 987 . 1 1 83 83 GLY N N 15 108.703 0 . . . . . . . 83 GLY N . 27643 1 988 . 1 1 84 84 VAL H H 1 7.72 0 . . . . . . . 84 VAL H . 27643 1 989 . 1 1 84 84 VAL HA H 1 3.743 0 . . . . . . . 84 VAL HA . 27643 1 990 . 1 1 84 84 VAL HB H 1 2.04 0 . . . . . . . 84 VAL HB . 27643 1 991 . 1 1 84 84 VAL HG11 H 1 0.379 0 . . . . . . . 84 VAL QG1 . 27643 1 992 . 1 1 84 84 VAL HG12 H 1 0.379 0 . . . . . . . 84 VAL QG1 . 27643 1 993 . 1 1 84 84 VAL HG13 H 1 0.379 0 . . . . . . . 84 VAL QG1 . 27643 1 994 . 1 1 84 84 VAL HG21 H 1 0.781 0 . . . . . . . 84 VAL QG2 . 27643 1 995 . 1 1 84 84 VAL HG22 H 1 0.781 0 . . . . . . . 84 VAL QG2 . 27643 1 996 . 1 1 84 84 VAL HG23 H 1 0.781 0 . . . . . . . 84 VAL QG2 . 27643 1 997 . 1 1 84 84 VAL C C 13 174.004 0 . . . . . . . 84 VAL C . 27643 1 998 . 1 1 84 84 VAL CA C 13 62.409 0 . . . . . . . 84 VAL CA . 27643 1 999 . 1 1 84 84 VAL CB C 13 31.732 0 . . . . . . . 84 VAL CB . 27643 1 1000 . 1 1 84 84 VAL CG1 C 13 20.787 0 . . . . . . . 84 VAL CG1 . 27643 1 1001 . 1 1 84 84 VAL CG2 C 13 22.073 0 . . . . . . . 84 VAL CG2 . 27643 1 1002 . 1 1 84 84 VAL N N 15 124.578 0 . . . . . . . 84 VAL N . 27643 1 1003 . 1 1 85 85 GLU H H 1 8.319 0 . . . . . . . 85 GLU H . 27643 1 1004 . 1 1 85 85 GLU HA H 1 4.393 0 . . . . . . . 85 GLU HA . 27643 1 1005 . 1 1 85 85 GLU HB2 H 1 1.83 0 . . . . . . . 85 GLU HB2 . 27643 1 1006 . 1 1 85 85 GLU HB3 H 1 1.906 0 . . . . . . . 85 GLU HB3 . 27643 1 1007 . 1 1 85 85 GLU HG2 H 1 2.123 0 . . . . . . . 85 GLU HG2 . 27643 1 1008 . 1 1 85 85 GLU HG3 H 1 2.123 0 . . . . . . . 85 GLU HG3 . 27643 1 1009 . 1 1 85 85 GLU C C 13 174.024 0 . . . . . . . 85 GLU C . 27643 1 1010 . 1 1 85 85 GLU CA C 13 55.728 0 . . . . . . . 85 GLU CA . 27643 1 1011 . 1 1 85 85 GLU CB C 13 31.276 0 . . . . . . . 85 GLU CB . 27643 1 1012 . 1 1 85 85 GLU CG C 13 36.464 0 . . . . . . . 85 GLU CG . 27643 1 1013 . 1 1 85 85 GLU N N 15 126.97 0 . . . . . . . 85 GLU N . 27643 1 1014 . 1 1 86 86 TYR H H 1 8.895 0 . . . . . . . 86 TYR H . 27643 1 1015 . 1 1 86 86 TYR HA H 1 4.509 0 . . . . . . . 86 TYR HA . 27643 1 1016 . 1 1 86 86 TYR HB2 H 1 2.351 0 . . . . . . . 86 TYR HB2 . 27643 1 1017 . 1 1 86 86 TYR HB3 H 1 2.656 0 . . . . . . . 86 TYR HB3 . 27643 1 1018 . 1 1 86 86 TYR C C 13 175.362 0 . . . . . . . 86 TYR C . 27643 1 1019 . 1 1 86 86 TYR CA C 13 58.044 0 . . . . . . . 86 TYR CA . 27643 1 1020 . 1 1 86 86 TYR CB C 13 40.899 0 . . . . . . . 86 TYR CB . 27643 1 1021 . 1 1 86 86 TYR N N 15 124.42 0 . . . . . . . 86 TYR N . 27643 1 1022 . 1 1 87 87 LEU H H 1 9.08 0 . . . . . . . 87 LEU H . 27643 1 1023 . 1 1 87 87 LEU HA H 1 4.902 0 . . . . . . . 87 LEU HA . 27643 1 1024 . 1 1 87 87 LEU HB2 H 1 1.15 0 . . . . . . . 87 LEU HB2 . 27643 1 1025 . 1 1 87 87 LEU HB3 H 1 1.859 0 . . . . . . . 87 LEU HB3 . 27643 1 1026 . 1 1 87 87 LEU HG H 1 1.852 0.01 . . . . . . . 87 LEU HG . 27643 1 1027 . 1 1 87 87 LEU HD11 H 1 0.85 0 . . . . . . . 87 LEU QD1 . 27643 1 1028 . 1 1 87 87 LEU HD12 H 1 0.85 0 . . . . . . . 87 LEU QD1 . 27643 1 1029 . 1 1 87 87 LEU HD13 H 1 0.85 0 . . . . . . . 87 LEU QD1 . 27643 1 1030 . 1 1 87 87 LEU HD21 H 1 1.163 0.01 . . . . . . . 87 LEU QD2 . 27643 1 1031 . 1 1 87 87 LEU HD22 H 1 1.163 0.01 . . . . . . . 87 LEU QD2 . 27643 1 1032 . 1 1 87 87 LEU HD23 H 1 1.163 0.01 . . . . . . . 87 LEU QD2 . 27643 1 1033 . 1 1 87 87 LEU C C 13 175.876 0 . . . . . . . 87 LEU C . 27643 1 1034 . 1 1 87 87 LEU CA C 13 54.194 0 . . . . . . . 87 LEU CA . 27643 1 1035 . 1 1 87 87 LEU CB C 13 43.766 0 . . . . . . . 87 LEU CB . 27643 1 1036 . 1 1 87 87 LEU CG C 13 27.287 0 . . . . . . . 87 LEU CG . 27643 1 1037 . 1 1 87 87 LEU CD1 C 13 25.213 0 . . . . . . . 87 LEU CD1 . 27643 1 1038 . 1 1 87 87 LEU CD2 C 13 27.297 0.01 . . . . . . . 87 LEU CD2 . 27643 1 1039 . 1 1 87 87 LEU N N 15 121.832 0 . . . . . . . 87 LEU N . 27643 1 1040 . 1 1 88 88 LEU H H 1 8.657 0 . . . . . . . 88 LEU H . 27643 1 1041 . 1 1 88 88 LEU HA H 1 4.536 0 . . . . . . . 88 LEU HA . 27643 1 1042 . 1 1 88 88 LEU HB2 H 1 1.517 0 . . . . . . . 88 LEU HB2 . 27643 1 1043 . 1 1 88 88 LEU HB3 H 1 1.521 0 . . . . . . . 88 LEU HB3 . 27643 1 1044 . 1 1 88 88 LEU HG H 1 1.441 0.01 . . . . . . . 88 LEU HG . 27643 1 1045 . 1 1 88 88 LEU HD11 H 1 0.697 0 . . . . . . . 88 LEU QD1 . 27643 1 1046 . 1 1 88 88 LEU HD12 H 1 0.697 0 . . . . . . . 88 LEU QD1 . 27643 1 1047 . 1 1 88 88 LEU HD13 H 1 0.697 0 . . . . . . . 88 LEU QD1 . 27643 1 1048 . 1 1 88 88 LEU HD21 H 1 1.446 0.01 . . . . . . . 88 LEU QD2 . 27643 1 1049 . 1 1 88 88 LEU HD22 H 1 1.446 0.01 . . . . . . . 88 LEU QD2 . 27643 1 1050 . 1 1 88 88 LEU HD23 H 1 1.446 0.01 . . . . . . . 88 LEU QD2 . 27643 1 1051 . 1 1 88 88 LEU C C 13 174.421 0 . . . . . . . 88 LEU C . 27643 1 1052 . 1 1 88 88 LEU CA C 13 54.086 0 . . . . . . . 88 LEU CA . 27643 1 1053 . 1 1 88 88 LEU CB C 13 46.097 0 . . . . . . . 88 LEU CB . 27643 1 1054 . 1 1 88 88 LEU CG C 13 26.258 0 . . . . . . . 88 LEU CG . 27643 1 1055 . 1 1 88 88 LEU CD1 C 13 24.502 0 . . . . . . . 88 LEU CD1 . 27643 1 1056 . 1 1 88 88 LEU CD2 C 13 26.258 0.01 . . . . . . . 88 LEU CD2 . 27643 1 1057 . 1 1 88 88 LEU N N 15 122.954 0 . . . . . . . 88 LEU N . 27643 1 1058 . 1 1 89 89 ILE H H 1 9.396 0 . . . . . . . 89 ILE H . 27643 1 1059 . 1 1 89 89 ILE CA C 13 58.269 0 . . . . . . . 89 ILE CA . 27643 1 1060 . 1 1 89 89 ILE CB C 13 39.389 0 . . . . . . . 89 ILE CB . 27643 1 1061 . 1 1 89 89 ILE N N 15 124.331 0 . . . . . . . 89 ILE N . 27643 1 1062 . 1 1 90 90 PRO HA H 1 4.605 0.01 . . . . . . . 90 PRO HA . 27643 1 1063 . 1 1 90 90 PRO HB2 H 1 1.488 0.01 . . . . . . . 90 PRO HB2 . 27643 1 1064 . 1 1 90 90 PRO HB3 H 1 2.476 0.01 . . . . . . . 90 PRO HB3 . 27643 1 1065 . 1 1 90 90 PRO HG2 H 1 1.714 0 . . . . . . . 90 PRO HG2 . 27643 1 1066 . 1 1 90 90 PRO HG3 H 1 1.845 0.01 . . . . . . . 90 PRO HG3 . 27643 1 1067 . 1 1 90 90 PRO HD2 H 1 4.076 0 . . . . . . . 90 PRO HD2 . 27643 1 1068 . 1 1 90 90 PRO HD3 H 1 4.145 0 . . . . . . . 90 PRO HD3 . 27643 1 1069 . 1 1 90 90 PRO C C 13 176.235 0 . . . . . . . 90 PRO C . 27643 1 1070 . 1 1 90 90 PRO CA C 13 62.243 0.01 . . . . . . . 90 PRO CA . 27643 1 1071 . 1 1 90 90 PRO CB C 13 28.476 0.01 . . . . . . . 90 PRO CB . 27643 1 1072 . 1 1 90 90 PRO CG C 13 26.464 0 . . . . . . . 90 PRO CG . 27643 1 1073 . 1 1 90 90 PRO CD C 13 50.468 0 . . . . . . . 90 PRO CD . 27643 1 1074 . 1 1 91 91 VAL H H 1 7.961 0 . . . . . . . 91 VAL H . 27643 1 1075 . 1 1 91 91 VAL HA H 1 4.23 0 . . . . . . . 91 VAL HA . 27643 1 1076 . 1 1 91 91 VAL HB H 1 1.57 0 . . . . . . . 91 VAL HB . 27643 1 1077 . 1 1 91 91 VAL HG11 H 1 0.847 0 . . . . . . . 91 VAL QG1 . 27643 1 1078 . 1 1 91 91 VAL HG12 H 1 0.847 0 . . . . . . . 91 VAL QG1 . 27643 1 1079 . 1 1 91 91 VAL HG13 H 1 0.847 0 . . . . . . . 91 VAL QG1 . 27643 1 1080 . 1 1 91 91 VAL HG21 H 1 1.129 0 . . . . . . . 91 VAL QG2 . 27643 1 1081 . 1 1 91 91 VAL HG22 H 1 1.129 0 . . . . . . . 91 VAL QG2 . 27643 1 1082 . 1 1 91 91 VAL HG23 H 1 1.129 0 . . . . . . . 91 VAL QG2 . 27643 1 1083 . 1 1 91 91 VAL C C 13 173.703 0 . . . . . . . 91 VAL C . 27643 1 1084 . 1 1 91 91 VAL CA C 13 60.745 0 . . . . . . . 91 VAL CA . 27643 1 1085 . 1 1 91 91 VAL CB C 13 35.269 0 . . . . . . . 91 VAL CB . 27643 1 1086 . 1 1 91 91 VAL CG1 C 13 21.17 0 . . . . . . . 91 VAL CG1 . 27643 1 1087 . 1 1 91 91 VAL CG2 C 13 21.17 0 . . . . . . . 91 VAL CG2 . 27643 1 1088 . 1 1 91 91 VAL N N 15 123.244 0 . . . . . . . 91 VAL N . 27643 1 1089 . 1 1 92 92 ASP H H 1 8.238 0 . . . . . . . 92 ASP H . 27643 1 1090 . 1 1 92 92 ASP HA H 1 4.38 0 . . . . . . . 92 ASP HA . 27643 1 1091 . 1 1 92 92 ASP HB2 H 1 2.763 0 . . . . . . . 92 ASP HB2 . 27643 1 1092 . 1 1 92 92 ASP HB3 H 1 2.763 0 . . . . . . . 92 ASP HB3 . 27643 1 1093 . 1 1 92 92 ASP C C 13 176.013 0 . . . . . . . 92 ASP C . 27643 1 1094 . 1 1 92 92 ASP CA C 13 54.765 0 . . . . . . . 92 ASP CA . 27643 1 1095 . 1 1 92 92 ASP CB C 13 41.897 0 . . . . . . . 92 ASP CB . 27643 1 1096 . 1 1 92 92 ASP N N 15 125.256 0 . . . . . . . 92 ASP N . 27643 1 1097 . 1 1 93 93 ASN H H 1 8.927 0 . . . . . . . 93 ASN H . 27643 1 1098 . 1 1 93 93 ASN HA H 1 4.364 0 . . . . . . . 93 ASN HA . 27643 1 1099 . 1 1 93 93 ASN HB2 H 1 2.623 0 . . . . . . . 93 ASN HB2 . 27643 1 1100 . 1 1 93 93 ASN HB3 H 1 2.712 0 . . . . . . . 93 ASN HB3 . 27643 1 1101 . 1 1 93 93 ASN HD21 H 1 7.692 0.01 . . . . . . . 93 ASN HD21 . 27643 1 1102 . 1 1 93 93 ASN HD22 H 1 8.847 0.01 . . . . . . . 93 ASN HD22 . 27643 1 1103 . 1 1 93 93 ASN C C 13 178.326 0 . . . . . . . 93 ASN C . 27643 1 1104 . 1 1 93 93 ASN CA C 13 55.993 0 . . . . . . . 93 ASN CA . 27643 1 1105 . 1 1 93 93 ASN CB C 13 37.49 0 . . . . . . . 93 ASN CB . 27643 1 1106 . 1 1 93 93 ASN N N 15 121.73 0 . . . . . . . 93 ASN N . 27643 1 1107 . 1 1 93 93 ASN ND2 N 15 112.635 0.01 . . . . . . . 93 ASN ND2 . 27643 1 1108 . 1 1 94 94 GLY H H 1 8.895 0 . . . . . . . 94 GLY H . 27643 1 1109 . 1 1 94 94 GLY HA2 H 1 3.821 0 . . . . . . . 94 GLY HA2 . 27643 1 1110 . 1 1 94 94 GLY HA3 H 1 3.913 0 . . . . . . . 94 GLY HA3 . 27643 1 1111 . 1 1 94 94 GLY C C 13 175.689 0 . . . . . . . 94 GLY C . 27643 1 1112 . 1 1 94 94 GLY CA C 13 47.173 0 . . . . . . . 94 GLY CA . 27643 1 1113 . 1 1 94 94 GLY N N 15 112.663 0 . . . . . . . 94 GLY N . 27643 1 1114 . 1 1 95 95 THR H H 1 7.867 0 . . . . . . . 95 THR H . 27643 1 1115 . 1 1 95 95 THR HA H 1 4.026 0.01 . . . . . . . 95 THR HA . 27643 1 1116 . 1 1 95 95 THR HB H 1 4.026 0.01 . . . . . . . 95 THR HB . 27643 1 1117 . 1 1 95 95 THR HG21 H 1 1.144 0 . . . . . . . 95 THR QG2 . 27643 1 1118 . 1 1 95 95 THR HG22 H 1 1.144 0 . . . . . . . 95 THR QG2 . 27643 1 1119 . 1 1 95 95 THR HG23 H 1 1.144 0 . . . . . . . 95 THR QG2 . 27643 1 1120 . 1 1 95 95 THR C C 13 176.335 0 . . . . . . . 95 THR C . 27643 1 1121 . 1 1 95 95 THR CA C 13 66.241 0 . . . . . . . 95 THR CA . 27643 1 1122 . 1 1 95 95 THR CB C 13 67.641 0.01 . . . . . . . 95 THR CB . 27643 1 1123 . 1 1 95 95 THR CG2 C 13 21.65 0 . . . . . . . 95 THR CG2 . 27643 1 1124 . 1 1 95 95 THR N N 15 121.944 0 . . . . . . . 95 THR N . 27643 1 1125 . 1 1 96 96 LEU H H 1 7.81 0 . . . . . . . 96 LEU H . 27643 1 1126 . 1 1 96 96 LEU HA H 1 3.942 0 . . . . . . . 96 LEU HA . 27643 1 1127 . 1 1 96 96 LEU HB2 H 1 1.401 0 . . . . . . . 96 LEU HB2 . 27643 1 1128 . 1 1 96 96 LEU HB3 H 1 2.057 0 . . . . . . . 96 LEU HB3 . 27643 1 1129 . 1 1 96 96 LEU HG H 1 1.71 0 . . . . . . . 96 LEU HG . 27643 1 1130 . 1 1 96 96 LEU HD11 H 1 0.665 0 . . . . . . . 96 LEU QD1 . 27643 1 1131 . 1 1 96 96 LEU HD12 H 1 0.665 0 . . . . . . . 96 LEU QD1 . 27643 1 1132 . 1 1 96 96 LEU HD13 H 1 0.665 0 . . . . . . . 96 LEU QD1 . 27643 1 1133 . 1 1 96 96 LEU HD21 H 1 0.861 0 . . . . . . . 96 LEU QD2 . 27643 1 1134 . 1 1 96 96 LEU HD22 H 1 0.861 0 . . . . . . . 96 LEU QD2 . 27643 1 1135 . 1 1 96 96 LEU HD23 H 1 0.861 0 . . . . . . . 96 LEU QD2 . 27643 1 1136 . 1 1 96 96 LEU C C 13 177.975 0 . . . . . . . 96 LEU C . 27643 1 1137 . 1 1 96 96 LEU CA C 13 57.9 0 . . . . . . . 96 LEU CA . 27643 1 1138 . 1 1 96 96 LEU CB C 13 41.004 0 . . . . . . . 96 LEU CB . 27643 1 1139 . 1 1 96 96 LEU CG C 13 25.132 0 . . . . . . . 96 LEU CG . 27643 1 1140 . 1 1 96 96 LEU CD1 C 13 19.303 0 . . . . . . . 96 LEU CD1 . 27643 1 1141 . 1 1 96 96 LEU CD2 C 13 20.824 0 . . . . . . . 96 LEU CD2 . 27643 1 1142 . 1 1 96 96 LEU N N 15 119.967 0 . . . . . . . 96 LEU N . 27643 1 1143 . 1 1 97 97 THR H H 1 8.29 0 . . . . . . . 97 THR H . 27643 1 1144 . 1 1 97 97 THR HA H 1 4.787 0.01 . . . . . . . 97 THR HA . 27643 1 1145 . 1 1 97 97 THR HB H 1 3.712 0.01 . . . . . . . 97 THR HB . 27643 1 1146 . 1 1 97 97 THR HG21 H 1 1.211 0 . . . . . . . 97 THR QG2 . 27643 1 1147 . 1 1 97 97 THR HG22 H 1 1.211 0 . . . . . . . 97 THR QG2 . 27643 1 1148 . 1 1 97 97 THR HG23 H 1 1.211 0 . . . . . . . 97 THR QG2 . 27643 1 1149 . 1 1 97 97 THR C C 13 174.079 0 . . . . . . . 97 THR C . 27643 1 1150 . 1 1 97 97 THR CA C 13 67.212 0 . . . . . . . 97 THR CA . 27643 1 1151 . 1 1 97 97 THR CB C 13 68.372 0 . . . . . . . 97 THR CB . 27643 1 1152 . 1 1 97 97 THR CG2 C 13 20.911 0 . . . . . . . 97 THR CG2 . 27643 1 1153 . 1 1 97 97 THR N N 15 117.053 0 . . . . . . . 97 THR N . 27643 1 1154 . 1 1 98 98 ASP H H 1 7.97 0 . . . . . . . 98 ASP H . 27643 1 1155 . 1 1 98 98 ASP HA H 1 4.334 0 . . . . . . . 98 ASP HA . 27643 1 1156 . 1 1 98 98 ASP HB2 H 1 2.596 0 . . . . . . . 98 ASP HB2 . 27643 1 1157 . 1 1 98 98 ASP HB3 H 1 2.89 0 . . . . . . . 98 ASP HB3 . 27643 1 1158 . 1 1 98 98 ASP C C 13 178.293 0 . . . . . . . 98 ASP C . 27643 1 1159 . 1 1 98 98 ASP CA C 13 57.157 0 . . . . . . . 98 ASP CA . 27643 1 1160 . 1 1 98 98 ASP CB C 13 40.334 0 . . . . . . . 98 ASP CB . 27643 1 1161 . 1 1 98 98 ASP N N 15 123.141 0 . . . . . . . 98 ASP N . 27643 1 1162 . 1 1 99 99 PHE H H 1 8.355 0 . . . . . . . 99 PHE H . 27643 1 1163 . 1 1 99 99 PHE HA H 1 4.018 0.01 . . . . . . . 99 PHE HA . 27643 1 1164 . 1 1 99 99 PHE HB2 H 1 3.058 0 . . . . . . . 99 PHE HB2 . 27643 1 1165 . 1 1 99 99 PHE HB3 H 1 3.253 0.01 . . . . . . . 99 PHE HB3 . 27643 1 1166 . 1 1 99 99 PHE C C 13 176.783 0.01 . . . . . . . 99 PHE C . 27643 1 1167 . 1 1 99 99 PHE CA C 13 61.525 0 . . . . . . . 99 PHE CA . 27643 1 1168 . 1 1 99 99 PHE CB C 13 38.66 0 . . . . . . . 99 PHE CB . 27643 1 1169 . 1 1 99 99 PHE N N 15 120.6 0 . . . . . . . 99 PHE N . 27643 1 1170 . 1 1 100 100 LEU H H 1 8.031 0 . . . . . . . 100 LEU H . 27643 1 1171 . 1 1 100 100 LEU HA H 1 3.801 0 . . . . . . . 100 LEU HA . 27643 1 1172 . 1 1 100 100 LEU HB2 H 1 1.615 0 . . . . . . . 100 LEU HB2 . 27643 1 1173 . 1 1 100 100 LEU HB3 H 1 1.879 0 . . . . . . . 100 LEU HB3 . 27643 1 1174 . 1 1 100 100 LEU HG H 1 1.621 0.01 . . . . . . . 100 LEU HG . 27643 1 1175 . 1 1 100 100 LEU HD11 H 1 0.896 0 . . . . . . . 100 LEU QD1 . 27643 1 1176 . 1 1 100 100 LEU HD12 H 1 0.896 0 . . . . . . . 100 LEU QD1 . 27643 1 1177 . 1 1 100 100 LEU HD13 H 1 0.896 0 . . . . . . . 100 LEU QD1 . 27643 1 1178 . 1 1 100 100 LEU HD21 H 1 0.896 0.01 . . . . . . . 100 LEU QD2 . 27643 1 1179 . 1 1 100 100 LEU HD22 H 1 0.896 0.01 . . . . . . . 100 LEU QD2 . 27643 1 1180 . 1 1 100 100 LEU HD23 H 1 0.896 0.01 . . . . . . . 100 LEU QD2 . 27643 1 1181 . 1 1 100 100 LEU C C 13 178.944 0 . . . . . . . 100 LEU C . 27643 1 1182 . 1 1 100 100 LEU CA C 13 57.027 0 . . . . . . . 100 LEU CA . 27643 1 1183 . 1 1 100 100 LEU CB C 13 41.6 0 . . . . . . . 100 LEU CB . 27643 1 1184 . 1 1 100 100 LEU CG C 13 25.516 0 . . . . . . . 100 LEU CG . 27643 1 1185 . 1 1 100 100 LEU CD1 C 13 21.578 0 . . . . . . . 100 LEU CD1 . 27643 1 1186 . 1 1 100 100 LEU CD2 C 13 23.08 0 . . . . . . . 100 LEU CD2 . 27643 1 1187 . 1 1 100 100 LEU N N 15 118.954 0 . . . . . . . 100 LEU N . 27643 1 1188 . 1 1 101 101 GLU H H 1 7.812 0 . . . . . . . 101 GLU H . 27643 1 1189 . 1 1 101 101 GLU HA H 1 4.014 0 . . . . . . . 101 GLU HA . 27643 1 1190 . 1 1 101 101 GLU HB2 H 1 1.94 0.01 . . . . . . . 101 GLU HB2 . 27643 1 1191 . 1 1 101 101 GLU HB3 H 1 2.056 0 . . . . . . . 101 GLU HB3 . 27643 1 1192 . 1 1 101 101 GLU HG2 H 1 2.199 0 . . . . . . . 101 GLU HG2 . 27643 1 1193 . 1 1 101 101 GLU HG3 H 1 2.419 0 . . . . . . . 101 GLU HG3 . 27643 1 1194 . 1 1 101 101 GLU C C 13 177.865 0 . . . . . . . 101 GLU C . 27643 1 1195 . 1 1 101 101 GLU CA C 13 58.024 0 . . . . . . . 101 GLU CA . 27643 1 1196 . 1 1 101 101 GLU CB C 13 29.736 0 . . . . . . . 101 GLU CB . 27643 1 1197 . 1 1 101 101 GLU CG C 13 36.12 0 . . . . . . . 101 GLU CG . 27643 1 1198 . 1 1 101 101 GLU N N 15 117.24 0 . . . . . . . 101 GLU N . 27643 1 1199 . 1 1 102 102 LYS H H 1 7.638 0 . . . . . . . 102 LYS H . 27643 1 1200 . 1 1 102 102 LYS HA H 1 4.175 0 . . . . . . . 102 LYS HA . 27643 1 1201 . 1 1 102 102 LYS HB2 H 1 1.757 0 . . . . . . . 102 LYS HB2 . 27643 1 1202 . 1 1 102 102 LYS HB3 H 1 1.757 0.01 . . . . . . . 102 LYS HB3 . 27643 1 1203 . 1 1 102 102 LYS HG2 H 1 1.445 0 . . . . . . . 102 LYS HG2 . 27643 1 1204 . 1 1 102 102 LYS HG3 H 1 1.592 0.01 . . . . . . . 102 LYS HG3 . 27643 1 1205 . 1 1 102 102 LYS HD2 H 1 1.592 0.01 . . . . . . . 102 LYS HD2 . 27643 1 1206 . 1 1 102 102 LYS HD3 H 1 2.268 0.01 . . . . . . . 102 LYS HD3 . 27643 1 1207 . 1 1 102 102 LYS HE2 H 1 2.923 0 . . . . . . . 102 LYS HE2 . 27643 1 1208 . 1 1 102 102 LYS HE3 H 1 3.838 0 . . . . . . . 102 LYS HE3 . 27643 1 1209 . 1 1 102 102 LYS C C 13 177.212 0 . . . . . . . 102 LYS C . 27643 1 1210 . 1 1 102 102 LYS CA C 13 56.602 0 . . . . . . . 102 LYS CA . 27643 1 1211 . 1 1 102 102 LYS CB C 13 32.31 0 . . . . . . . 102 LYS CB . 27643 1 1212 . 1 1 102 102 LYS CG C 13 24.498 0 . . . . . . . 102 LYS CG . 27643 1 1213 . 1 1 102 102 LYS CD C 13 28.318 0 . . . . . . . 102 LYS CD . 27643 1 1214 . 1 1 102 102 LYS CE C 13 41.71 0 . . . . . . . 102 LYS CE . 27643 1 1215 . 1 1 102 102 LYS N N 15 119.013 0 . . . . . . . 102 LYS N . 27643 1 1216 . 1 1 103 103 GLU H H 1 7.901 0 . . . . . . . 103 GLU H . 27643 1 1217 . 1 1 103 103 GLU HA H 1 4.051 0 . . . . . . . 103 GLU HA . 27643 1 1218 . 1 1 103 103 GLU HB2 H 1 1.642 0 . . . . . . . 103 GLU HB2 . 27643 1 1219 . 1 1 103 103 GLU HB3 H 1 1.757 0 . . . . . . . 103 GLU HB3 . 27643 1 1220 . 1 1 103 103 GLU HG2 H 1 1.967 0 . . . . . . . 103 GLU HG2 . 27643 1 1221 . 1 1 103 103 GLU HG3 H 1 2.419 0 . . . . . . . 103 GLU HG3 . 27643 1 1222 . 1 1 103 103 GLU C C 13 176.82 0 . . . . . . . 103 GLU C . 27643 1 1223 . 1 1 103 103 GLU CA C 13 56.687 0 . . . . . . . 103 GLU CA . 27643 1 1224 . 1 1 103 103 GLU CB C 13 29.39 0 . . . . . . . 103 GLU CB . 27643 1 1225 . 1 1 103 103 GLU CG C 13 35.849 0 . . . . . . . 103 GLU CG . 27643 1 1226 . 1 1 103 103 GLU N N 15 122.313 0 . . . . . . . 103 GLU N . 27643 1 1227 . 1 1 104 104 GLU H H 1 8.225 0 . . . . . . . 104 GLU H . 27643 1 1228 . 1 1 104 104 GLU HA H 1 4.171 0 . . . . . . . 104 GLU HA . 27643 1 1229 . 1 1 104 104 GLU HB2 H 1 1.887 0 . . . . . . . 104 GLU HB2 . 27643 1 1230 . 1 1 104 104 GLU HB3 H 1 2.007 0.01 . . . . . . . 104 GLU HB3 . 27643 1 1231 . 1 1 104 104 GLU HG2 H 1 2.232 0.01 . . . . . . . 104 GLU HG2 . 27643 1 1232 . 1 1 104 104 GLU HG3 H 1 2.425 0 . . . . . . . 104 GLU HG3 . 27643 1 1233 . 1 1 104 104 GLU C C 13 176.538 0 . . . . . . . 104 GLU C . 27643 1 1234 . 1 1 104 104 GLU CA C 13 56.471 0.01 . . . . . . . 104 GLU CA . 27643 1 1235 . 1 1 104 104 GLU CB C 13 30.035 0 . . . . . . . 104 GLU CB . 27643 1 1236 . 1 1 104 104 GLU CG C 13 35.844 0 . . . . . . . 104 GLU CG . 27643 1 1237 . 1 1 104 104 GLU N N 15 122.279 0 . . . . . . . 104 GLU N . 27643 1 1238 . 1 1 105 105 GLU H H 1 8.266 0 . . . . . . . 105 GLU H . 27643 1 1239 . 1 1 105 105 GLU HA H 1 4.194 0.01 . . . . . . . 105 GLU HA . 27643 1 1240 . 1 1 105 105 GLU HB2 H 1 1.924 0 . . . . . . . 105 GLU HB2 . 27643 1 1241 . 1 1 105 105 GLU HB3 H 1 2.018 0.01 . . . . . . . 105 GLU HB3 . 27643 1 1242 . 1 1 105 105 GLU HG2 H 1 2.252 0.01 . . . . . . . 105 GLU HG2 . 27643 1 1243 . 1 1 105 105 GLU HG3 H 1 2.253 0 . . . . . . . 105 GLU HG3 . 27643 1 1244 . 1 1 105 105 GLU C C 13 176.318 0 . . . . . . . 105 GLU C . 27643 1 1245 . 1 1 105 105 GLU CA C 13 55.297 0.01 . . . . . . . 105 GLU CA . 27643 1 1246 . 1 1 105 105 GLU CB C 13 31.392 0 . . . . . . . 105 GLU CB . 27643 1 1247 . 1 1 105 105 GLU CG C 13 35.815 0 . . . . . . . 105 GLU CG . 27643 1 1248 . 1 1 105 105 GLU N N 15 122.361 0 . . . . . . . 105 GLU N . 27643 1 1249 . 1 1 106 106 GLU H H 1 8.316 0 . . . . . . . 106 GLU H . 27643 1 1250 . 1 1 106 106 GLU HA H 1 4.244 0.01 . . . . . . . 106 GLU HA . 27643 1 1251 . 1 1 106 106 GLU HB2 H 1 1.893 0 . . . . . . . 106 GLU HB2 . 27643 1 1252 . 1 1 106 106 GLU HB3 H 1 2.056 0 . . . . . . . 106 GLU HB3 . 27643 1 1253 . 1 1 106 106 GLU HG2 H 1 2.252 0 . . . . . . . 106 GLU HG2 . 27643 1 1254 . 1 1 106 106 GLU HG3 H 1 2.449 0 . . . . . . . 106 GLU HG3 . 27643 1 1255 . 1 1 106 106 GLU C C 13 175.034 0.01 . . . . . . . 106 GLU C . 27643 1 1256 . 1 1 106 106 GLU CA C 13 56.247 0.01 . . . . . . . 106 GLU CA . 27643 1 1257 . 1 1 106 106 GLU CB C 13 25.5 0.01 . . . . . . . 106 GLU CB . 27643 1 1258 . 1 1 106 106 GLU CG C 13 34.359 0.01 . . . . . . . 106 GLU CG . 27643 1 1259 . 1 1 106 106 GLU N N 15 122.872 0 . . . . . . . 106 GLU N . 27643 1 1260 . 1 1 107 107 ALA H H 1 7.95 0 . . . . . . . 107 ALA H . 27643 1 1261 . 1 1 107 107 ALA CA C 13 53.713 0 . . . . . . . 107 ALA CA . 27643 1 1262 . 1 1 107 107 ALA CB C 13 18.154 0.01 . . . . . . . 107 ALA CB . 27643 1 1263 . 1 1 107 107 ALA N N 15 131.77 0 . . . . . . . 107 ALA N . 27643 1 stop_ save_