data_11278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11278 _Entry.Title ; Solution Structure of the CUE Domain in the Human Activating Signal Cointegrator 1 Complex Subunit 2 (ASCC2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11278 2 T. Kigawa . . . 11278 3 N. Tochio . . . 11278 4 S. Koshiba . . . 11278 5 T. Harada . . . 11278 6 S. Watanabe . . . 11278 7 S. Yokoyama . . . 11278 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 11278 '15N chemical shifts' 70 11278 '1H chemical shifts' 482 11278 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11278 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DI0 'BMRB Entry Tracking System' 11278 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the CUE Domain in the Human Activating Signal Cointegrator 1 Complex Subunit 2 (ASCC2) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11278 1 2 T. Kigawa . . . 11278 1 3 N. Tochio . . . 11278 1 4 S. Koshiba . . . 11278 1 5 T. Harada . . . 11278 1 6 S. Watanabe . . . 11278 1 7 S. Yokoyama . . . 11278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11278 _Assembly.ID 1 _Assembly.Name 'Activating signal cointegrator 1 complex subunit 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CUE domain' 1 $entity_1 A . yes native no no . . . 11278 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2di0 . . . . . . 11278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUE domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMCGVELDSLISQV KDLLPDLGEGFILACLEYYH YDPEQVINNILEERLAPTLS QLDRNLDREMN ; _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 71 _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DI0 . "Solution Structure Of The Cue Domain In The Human Activating Signal Cointegrator 1 Complex Subunit 2 (Ascc2)" . . . . . 100.00 71 100.00 100.00 9.93e-43 . . . . 11278 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUE domain' . 11278 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11278 1 2 . SER . 11278 1 3 . SER . 11278 1 4 . GLY . 11278 1 5 . SER . 11278 1 6 . SER . 11278 1 7 . GLY . 11278 1 8 . MET . 11278 1 9 . CYS . 11278 1 10 . GLY . 11278 1 11 . VAL . 11278 1 12 . GLU . 11278 1 13 . LEU . 11278 1 14 . ASP . 11278 1 15 . SER . 11278 1 16 . LEU . 11278 1 17 . ILE . 11278 1 18 . SER . 11278 1 19 . GLN . 11278 1 20 . VAL . 11278 1 21 . LYS . 11278 1 22 . ASP . 11278 1 23 . LEU . 11278 1 24 . LEU . 11278 1 25 . PRO . 11278 1 26 . ASP . 11278 1 27 . LEU . 11278 1 28 . GLY . 11278 1 29 . GLU . 11278 1 30 . GLY . 11278 1 31 . PHE . 11278 1 32 . ILE . 11278 1 33 . LEU . 11278 1 34 . ALA . 11278 1 35 . CYS . 11278 1 36 . LEU . 11278 1 37 . GLU . 11278 1 38 . TYR . 11278 1 39 . TYR . 11278 1 40 . HIS . 11278 1 41 . TYR . 11278 1 42 . ASP . 11278 1 43 . PRO . 11278 1 44 . GLU . 11278 1 45 . GLN . 11278 1 46 . VAL . 11278 1 47 . ILE . 11278 1 48 . ASN . 11278 1 49 . ASN . 11278 1 50 . ILE . 11278 1 51 . LEU . 11278 1 52 . GLU . 11278 1 53 . GLU . 11278 1 54 . ARG . 11278 1 55 . LEU . 11278 1 56 . ALA . 11278 1 57 . PRO . 11278 1 58 . THR . 11278 1 59 . LEU . 11278 1 60 . SER . 11278 1 61 . GLN . 11278 1 62 . LEU . 11278 1 63 . ASP . 11278 1 64 . ARG . 11278 1 65 . ASN . 11278 1 66 . LEU . 11278 1 67 . ASP . 11278 1 68 . ARG . 11278 1 69 . GLU . 11278 1 70 . MET . 11278 1 71 . ASN . 11278 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11278 1 . SER 2 2 11278 1 . SER 3 3 11278 1 . GLY 4 4 11278 1 . SER 5 5 11278 1 . SER 6 6 11278 1 . GLY 7 7 11278 1 . MET 8 8 11278 1 . CYS 9 9 11278 1 . GLY 10 10 11278 1 . VAL 11 11 11278 1 . GLU 12 12 11278 1 . LEU 13 13 11278 1 . ASP 14 14 11278 1 . SER 15 15 11278 1 . LEU 16 16 11278 1 . ILE 17 17 11278 1 . SER 18 18 11278 1 . GLN 19 19 11278 1 . VAL 20 20 11278 1 . LYS 21 21 11278 1 . ASP 22 22 11278 1 . LEU 23 23 11278 1 . LEU 24 24 11278 1 . PRO 25 25 11278 1 . ASP 26 26 11278 1 . LEU 27 27 11278 1 . GLY 28 28 11278 1 . GLU 29 29 11278 1 . GLY 30 30 11278 1 . PHE 31 31 11278 1 . ILE 32 32 11278 1 . LEU 33 33 11278 1 . ALA 34 34 11278 1 . CYS 35 35 11278 1 . LEU 36 36 11278 1 . GLU 37 37 11278 1 . TYR 38 38 11278 1 . TYR 39 39 11278 1 . HIS 40 40 11278 1 . TYR 41 41 11278 1 . ASP 42 42 11278 1 . PRO 43 43 11278 1 . GLU 44 44 11278 1 . GLN 45 45 11278 1 . VAL 46 46 11278 1 . ILE 47 47 11278 1 . ASN 48 48 11278 1 . ASN 49 49 11278 1 . ILE 50 50 11278 1 . LEU 51 51 11278 1 . GLU 52 52 11278 1 . GLU 53 53 11278 1 . ARG 54 54 11278 1 . LEU 55 55 11278 1 . ALA 56 56 11278 1 . PRO 57 57 11278 1 . THR 58 58 11278 1 . LEU 59 59 11278 1 . SER 60 60 11278 1 . GLN 61 61 11278 1 . LEU 62 62 11278 1 . ASP 63 63 11278 1 . ARG 64 64 11278 1 . ASN 65 65 11278 1 . LEU 66 66 11278 1 . ASP 67 67 11278 1 . ARG 68 68 11278 1 . GLU 69 69 11278 1 . MET 70 70 11278 1 . ASN 71 71 11278 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 11278 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11278 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 11278 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060116-03 . . . . . . 11278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11278 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.24mM CUE domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CUE domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.24 . . mM . . . . 11278 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11278 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11278 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11278 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11278 1 6 H2O . . . . . . solvent 90 . . % . . . . 11278 1 7 D2O . . . . . . solvent 10 . . % . . . . 11278 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11278 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11278 1 pH 7.0 0.05 pH 11278 1 pressure 1 0.001 atm 11278 1 temperature 296.0 0.1 K 11278 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11278 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11278 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11278 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11278 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11278 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11278 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11278 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11278 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11278 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11278 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11278 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11278 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11278 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11278 5 'structure solution' 11278 5 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 11278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11278 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11278 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 11278 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11278 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11278 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11278 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11278 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11278 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11278 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11278 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11278 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11278 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11278 1 2 $NMRPipe . . 11278 1 3 $NMRView . . 11278 1 4 $Kujira . . 11278 1 5 $CYANA . . 11278 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.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 6 6 SER HA H 1 4.415 0.030 . 1 . . . . 6 SER HA . 11278 1 2 . 1 1 6 6 SER HB2 H 1 3.865 0.030 . 1 . . . . 6 SER HB2 . 11278 1 3 . 1 1 6 6 SER HB3 H 1 3.865 0.030 . 1 . . . . 6 SER HB3 . 11278 1 4 . 1 1 6 6 SER C C 13 175.010 0.300 . 1 . . . . 6 SER C . 11278 1 5 . 1 1 6 6 SER CA C 13 58.873 0.300 . 1 . . . . 6 SER CA . 11278 1 6 . 1 1 6 6 SER CB C 13 63.760 0.300 . 1 . . . . 6 SER CB . 11278 1 7 . 1 1 7 7 GLY H H 1 8.325 0.030 . 1 . . . . 7 GLY H . 11278 1 8 . 1 1 7 7 GLY HA2 H 1 3.903 0.030 . 1 . . . . 7 GLY HA2 . 11278 1 9 . 1 1 7 7 GLY HA3 H 1 3.903 0.030 . 1 . . . . 7 GLY HA3 . 11278 1 10 . 1 1 7 7 GLY C C 13 173.850 0.300 . 1 . . . . 7 GLY C . 11278 1 11 . 1 1 7 7 GLY CA C 13 45.322 0.300 . 1 . . . . 7 GLY CA . 11278 1 12 . 1 1 7 7 GLY N N 15 110.391 0.300 . 1 . . . . 7 GLY N . 11278 1 13 . 1 1 8 8 MET H H 1 7.833 0.030 . 1 . . . . 8 MET H . 11278 1 14 . 1 1 8 8 MET HA H 1 4.433 0.030 . 1 . . . . 8 MET HA . 11278 1 15 . 1 1 8 8 MET HB2 H 1 1.697 0.030 . 1 . . . . 8 MET HB2 . 11278 1 16 . 1 1 8 8 MET HB3 H 1 1.697 0.030 . 1 . . . . 8 MET HB3 . 11278 1 17 . 1 1 8 8 MET HE1 H 1 1.787 0.030 . 1 . . . . 8 MET HE . 11278 1 18 . 1 1 8 8 MET HE2 H 1 1.787 0.030 . 1 . . . . 8 MET HE . 11278 1 19 . 1 1 8 8 MET HE3 H 1 1.787 0.030 . 1 . . . . 8 MET HE . 11278 1 20 . 1 1 8 8 MET HG2 H 1 2.164 0.030 . 1 . . . . 8 MET HG2 . 11278 1 21 . 1 1 8 8 MET HG3 H 1 2.164 0.030 . 1 . . . . 8 MET HG3 . 11278 1 22 . 1 1 8 8 MET C C 13 175.449 0.300 . 1 . . . . 8 MET C . 11278 1 23 . 1 1 8 8 MET CA C 13 55.131 0.300 . 1 . . . . 8 MET CA . 11278 1 24 . 1 1 8 8 MET CB C 13 33.095 0.300 . 1 . . . . 8 MET CB . 11278 1 25 . 1 1 8 8 MET CE C 13 16.726 0.300 . 1 . . . . 8 MET CE . 11278 1 26 . 1 1 8 8 MET CG C 13 31.857 0.300 . 1 . . . . 8 MET CG . 11278 1 27 . 1 1 8 8 MET N N 15 119.808 0.300 . 1 . . . . 8 MET N . 11278 1 28 . 1 1 9 9 CYS H H 1 8.518 0.030 . 1 . . . . 9 CYS H . 11278 1 29 . 1 1 9 9 CYS HA H 1 4.548 0.030 . 1 . . . . 9 CYS HA . 11278 1 30 . 1 1 9 9 CYS HB2 H 1 2.958 0.030 . 2 . . . . 9 CYS HB2 . 11278 1 31 . 1 1 9 9 CYS HB3 H 1 2.963 0.030 . 2 . . . . 9 CYS HB3 . 11278 1 32 . 1 1 9 9 CYS C C 13 175.004 0.300 . 1 . . . . 9 CYS C . 11278 1 33 . 1 1 9 9 CYS CA C 13 58.294 0.300 . 1 . . . . 9 CYS CA . 11278 1 34 . 1 1 9 9 CYS CB C 13 28.904 0.300 . 1 . . . . 9 CYS CB . 11278 1 35 . 1 1 9 9 CYS N N 15 120.257 0.300 . 1 . . . . 9 CYS N . 11278 1 36 . 1 1 10 10 GLY H H 1 8.681 0.030 . 1 . . . . 10 GLY H . 11278 1 37 . 1 1 10 10 GLY HA2 H 1 3.844 0.030 . 2 . . . . 10 GLY HA2 . 11278 1 38 . 1 1 10 10 GLY HA3 H 1 4.015 0.030 . 2 . . . . 10 GLY HA3 . 11278 1 39 . 1 1 10 10 GLY C C 13 174.931 0.300 . 1 . . . . 10 GLY C . 11278 1 40 . 1 1 10 10 GLY CA C 13 46.549 0.300 . 1 . . . . 10 GLY CA . 11278 1 41 . 1 1 10 10 GLY N N 15 110.989 0.300 . 1 . . . . 10 GLY N . 11278 1 42 . 1 1 11 11 VAL H H 1 8.170 0.030 . 1 . . . . 11 VAL H . 11278 1 43 . 1 1 11 11 VAL HA H 1 4.005 0.030 . 1 . . . . 11 VAL HA . 11278 1 44 . 1 1 11 11 VAL HB H 1 2.067 0.030 . 1 . . . . 11 VAL HB . 11278 1 45 . 1 1 11 11 VAL HG11 H 1 0.934 0.030 . 1 . . . . 11 VAL HG1 . 11278 1 46 . 1 1 11 11 VAL HG12 H 1 0.934 0.030 . 1 . . . . 11 VAL HG1 . 11278 1 47 . 1 1 11 11 VAL HG13 H 1 0.934 0.030 . 1 . . . . 11 VAL HG1 . 11278 1 48 . 1 1 11 11 VAL HG21 H 1 0.933 0.030 . 1 . . . . 11 VAL HG2 . 11278 1 49 . 1 1 11 11 VAL HG22 H 1 0.933 0.030 . 1 . . . . 11 VAL HG2 . 11278 1 50 . 1 1 11 11 VAL HG23 H 1 0.933 0.030 . 1 . . . . 11 VAL HG2 . 11278 1 51 . 1 1 11 11 VAL C C 13 177.662 0.300 . 1 . . . . 11 VAL C . 11278 1 52 . 1 1 11 11 VAL CA C 13 64.105 0.300 . 1 . . . . 11 VAL CA . 11278 1 53 . 1 1 11 11 VAL CB C 13 32.317 0.300 . 1 . . . . 11 VAL CB . 11278 1 54 . 1 1 11 11 VAL CG1 C 13 21.066 0.300 . 2 . . . . 11 VAL CG1 . 11278 1 55 . 1 1 11 11 VAL CG2 C 13 21.168 0.300 . 2 . . . . 11 VAL CG2 . 11278 1 56 . 1 1 11 11 VAL N N 15 120.292 0.300 . 1 . . . . 11 VAL N . 11278 1 57 . 1 1 12 12 GLU H H 1 8.242 0.030 . 1 . . . . 12 GLU H . 11278 1 58 . 1 1 12 12 GLU HA H 1 4.179 0.030 . 1 . . . . 12 GLU HA . 11278 1 59 . 1 1 12 12 GLU HB2 H 1 2.079 0.030 . 1 . . . . 12 GLU HB2 . 11278 1 60 . 1 1 12 12 GLU HB3 H 1 2.079 0.030 . 1 . . . . 12 GLU HB3 . 11278 1 61 . 1 1 12 12 GLU HG2 H 1 2.309 0.030 . 1 . . . . 12 GLU HG2 . 11278 1 62 . 1 1 12 12 GLU HG3 H 1 2.309 0.030 . 1 . . . . 12 GLU HG3 . 11278 1 63 . 1 1 12 12 GLU C C 13 178.569 0.300 . 1 . . . . 12 GLU C . 11278 1 64 . 1 1 12 12 GLU CA C 13 58.372 0.300 . 1 . . . . 12 GLU CA . 11278 1 65 . 1 1 12 12 GLU CB C 13 29.249 0.300 . 1 . . . . 12 GLU CB . 11278 1 66 . 1 1 12 12 GLU CG C 13 36.625 0.300 . 1 . . . . 12 GLU CG . 11278 1 67 . 1 1 12 12 GLU N N 15 122.960 0.300 . 1 . . . . 12 GLU N . 11278 1 68 . 1 1 13 13 LEU H H 1 7.807 0.030 . 1 . . . . 13 LEU H . 11278 1 69 . 1 1 13 13 LEU HA H 1 4.055 0.030 . 1 . . . . 13 LEU HA . 11278 1 70 . 1 1 13 13 LEU HB2 H 1 1.423 0.030 . 2 . . . . 13 LEU HB2 . 11278 1 71 . 1 1 13 13 LEU HB3 H 1 1.727 0.030 . 2 . . . . 13 LEU HB3 . 11278 1 72 . 1 1 13 13 LEU HD11 H 1 0.941 0.030 . 1 . . . . 13 LEU HD1 . 11278 1 73 . 1 1 13 13 LEU HD12 H 1 0.941 0.030 . 1 . . . . 13 LEU HD1 . 11278 1 74 . 1 1 13 13 LEU HD13 H 1 0.941 0.030 . 1 . . . . 13 LEU HD1 . 11278 1 75 . 1 1 13 13 LEU HD21 H 1 1.004 0.030 . 1 . . . . 13 LEU HD2 . 11278 1 76 . 1 1 13 13 LEU HD22 H 1 1.004 0.030 . 1 . . . . 13 LEU HD2 . 11278 1 77 . 1 1 13 13 LEU HD23 H 1 1.004 0.030 . 1 . . . . 13 LEU HD2 . 11278 1 78 . 1 1 13 13 LEU HG H 1 1.614 0.030 . 1 . . . . 13 LEU HG . 11278 1 79 . 1 1 13 13 LEU C C 13 178.503 0.300 . 1 . . . . 13 LEU C . 11278 1 80 . 1 1 13 13 LEU CA C 13 57.978 0.300 . 1 . . . . 13 LEU CA . 11278 1 81 . 1 1 13 13 LEU CB C 13 41.853 0.300 . 1 . . . . 13 LEU CB . 11278 1 82 . 1 1 13 13 LEU CD1 C 13 24.950 0.300 . 2 . . . . 13 LEU CD1 . 11278 1 83 . 1 1 13 13 LEU CD2 C 13 23.717 0.300 . 2 . . . . 13 LEU CD2 . 11278 1 84 . 1 1 13 13 LEU CG C 13 27.288 0.300 . 1 . . . . 13 LEU CG . 11278 1 85 . 1 1 13 13 LEU N N 15 121.988 0.300 . 1 . . . . 13 LEU N . 11278 1 86 . 1 1 14 14 ASP H H 1 8.471 0.030 . 1 . . . . 14 ASP H . 11278 1 87 . 1 1 14 14 ASP HA H 1 4.303 0.030 . 1 . . . . 14 ASP HA . 11278 1 88 . 1 1 14 14 ASP HB2 H 1 2.747 0.030 . 2 . . . . 14 ASP HB2 . 11278 1 89 . 1 1 14 14 ASP HB3 H 1 2.659 0.030 . 2 . . . . 14 ASP HB3 . 11278 1 90 . 1 1 14 14 ASP C C 13 179.603 0.300 . 1 . . . . 14 ASP C . 11278 1 91 . 1 1 14 14 ASP CA C 13 57.954 0.300 . 1 . . . . 14 ASP CA . 11278 1 92 . 1 1 14 14 ASP CB C 13 39.813 0.300 . 1 . . . . 14 ASP CB . 11278 1 93 . 1 1 14 14 ASP N N 15 118.717 0.300 . 1 . . . . 14 ASP N . 11278 1 94 . 1 1 15 15 SER H H 1 7.946 0.030 . 1 . . . . 15 SER H . 11278 1 95 . 1 1 15 15 SER HA H 1 4.307 0.030 . 1 . . . . 15 SER HA . 11278 1 96 . 1 1 15 15 SER HB2 H 1 4.023 0.030 . 1 . . . . 15 SER HB2 . 11278 1 97 . 1 1 15 15 SER HB3 H 1 4.023 0.030 . 1 . . . . 15 SER HB3 . 11278 1 98 . 1 1 15 15 SER C C 13 176.918 0.300 . 1 . . . . 15 SER C . 11278 1 99 . 1 1 15 15 SER CA C 13 61.367 0.300 . 1 . . . . 15 SER CA . 11278 1 100 . 1 1 15 15 SER CB C 13 62.788 0.300 . 1 . . . . 15 SER CB . 11278 1 101 . 1 1 15 15 SER N N 15 115.362 0.300 . 1 . . . . 15 SER N . 11278 1 102 . 1 1 16 16 LEU H H 1 7.702 0.030 . 1 . . . . 16 LEU H . 11278 1 103 . 1 1 16 16 LEU HA H 1 4.161 0.030 . 1 . . . . 16 LEU HA . 11278 1 104 . 1 1 16 16 LEU HB2 H 1 1.370 0.030 . 2 . . . . 16 LEU HB2 . 11278 1 105 . 1 1 16 16 LEU HB3 H 1 2.164 0.030 . 2 . . . . 16 LEU HB3 . 11278 1 106 . 1 1 16 16 LEU HD11 H 1 1.118 0.030 . 1 . . . . 16 LEU HD1 . 11278 1 107 . 1 1 16 16 LEU HD12 H 1 1.118 0.030 . 1 . . . . 16 LEU HD1 . 11278 1 108 . 1 1 16 16 LEU HD13 H 1 1.118 0.030 . 1 . . . . 16 LEU HD1 . 11278 1 109 . 1 1 16 16 LEU HD21 H 1 0.966 0.030 . 1 . . . . 16 LEU HD2 . 11278 1 110 . 1 1 16 16 LEU HD22 H 1 0.966 0.030 . 1 . . . . 16 LEU HD2 . 11278 1 111 . 1 1 16 16 LEU HD23 H 1 0.966 0.030 . 1 . . . . 16 LEU HD2 . 11278 1 112 . 1 1 16 16 LEU HG H 1 2.012 0.030 . 1 . . . . 16 LEU HG . 11278 1 113 . 1 1 16 16 LEU C C 13 178.651 0.300 . 1 . . . . 16 LEU C . 11278 1 114 . 1 1 16 16 LEU CA C 13 58.058 0.300 . 1 . . . . 16 LEU CA . 11278 1 115 . 1 1 16 16 LEU CB C 13 43.058 0.300 . 1 . . . . 16 LEU CB . 11278 1 116 . 1 1 16 16 LEU CD1 C 13 26.759 0.300 . 2 . . . . 16 LEU CD1 . 11278 1 117 . 1 1 16 16 LEU CD2 C 13 22.987 0.300 . 2 . . . . 16 LEU CD2 . 11278 1 118 . 1 1 16 16 LEU CG C 13 26.486 0.300 . 1 . . . . 16 LEU CG . 11278 1 119 . 1 1 16 16 LEU N N 15 123.139 0.300 . 1 . . . . 16 LEU N . 11278 1 120 . 1 1 17 17 ILE H H 1 8.198 0.030 . 1 . . . . 17 ILE H . 11278 1 121 . 1 1 17 17 ILE HA H 1 3.519 0.030 . 1 . . . . 17 ILE HA . 11278 1 122 . 1 1 17 17 ILE HB H 1 1.946 0.030 . 1 . . . . 17 ILE HB . 11278 1 123 . 1 1 17 17 ILE HD11 H 1 0.904 0.030 . 1 . . . . 17 ILE HD1 . 11278 1 124 . 1 1 17 17 ILE HD12 H 1 0.904 0.030 . 1 . . . . 17 ILE HD1 . 11278 1 125 . 1 1 17 17 ILE HD13 H 1 0.904 0.030 . 1 . . . . 17 ILE HD1 . 11278 1 126 . 1 1 17 17 ILE HG12 H 1 1.845 0.030 . 2 . . . . 17 ILE HG12 . 11278 1 127 . 1 1 17 17 ILE HG13 H 1 0.717 0.030 . 2 . . . . 17 ILE HG13 . 11278 1 128 . 1 1 17 17 ILE HG21 H 1 0.920 0.030 . 1 . . . . 17 ILE HG2 . 11278 1 129 . 1 1 17 17 ILE HG22 H 1 0.920 0.030 . 1 . . . . 17 ILE HG2 . 11278 1 130 . 1 1 17 17 ILE HG23 H 1 0.920 0.030 . 1 . . . . 17 ILE HG2 . 11278 1 131 . 1 1 17 17 ILE C C 13 178.663 0.300 . 1 . . . . 17 ILE C . 11278 1 132 . 1 1 17 17 ILE CA C 13 65.616 0.300 . 1 . . . . 17 ILE CA . 11278 1 133 . 1 1 17 17 ILE CB C 13 38.537 0.300 . 1 . . . . 17 ILE CB . 11278 1 134 . 1 1 17 17 ILE CD1 C 13 14.797 0.300 . 1 . . . . 17 ILE CD1 . 11278 1 135 . 1 1 17 17 ILE CG1 C 13 29.966 0.300 . 1 . . . . 17 ILE CG1 . 11278 1 136 . 1 1 17 17 ILE CG2 C 13 17.057 0.300 . 1 . . . . 17 ILE CG2 . 11278 1 137 . 1 1 17 17 ILE N N 15 117.915 0.300 . 1 . . . . 17 ILE N . 11278 1 138 . 1 1 18 18 SER H H 1 8.174 0.030 . 1 . . . . 18 SER H . 11278 1 139 . 1 1 18 18 SER HA H 1 4.101 0.030 . 1 . . . . 18 SER HA . 11278 1 140 . 1 1 18 18 SER HB2 H 1 3.986 0.030 . 2 . . . . 18 SER HB2 . 11278 1 141 . 1 1 18 18 SER HB3 H 1 3.983 0.030 . 2 . . . . 18 SER HB3 . 11278 1 142 . 1 1 18 18 SER C C 13 175.589 0.300 . 1 . . . . 18 SER C . 11278 1 143 . 1 1 18 18 SER CA C 13 61.990 0.300 . 1 . . . . 18 SER CA . 11278 1 144 . 1 1 18 18 SER CB C 13 62.716 0.300 . 1 . . . . 18 SER CB . 11278 1 145 . 1 1 18 18 SER N N 15 114.631 0.300 . 1 . . . . 18 SER N . 11278 1 146 . 1 1 19 19 GLN H H 1 7.796 0.030 . 1 . . . . 19 GLN H . 11278 1 147 . 1 1 19 19 GLN HA H 1 4.088 0.030 . 1 . . . . 19 GLN HA . 11278 1 148 . 1 1 19 19 GLN HB2 H 1 2.123 0.030 . 2 . . . . 19 GLN HB2 . 11278 1 149 . 1 1 19 19 GLN HB3 H 1 2.290 0.030 . 2 . . . . 19 GLN HB3 . 11278 1 150 . 1 1 19 19 GLN HE21 H 1 6.842 0.030 . 2 . . . . 19 GLN HE21 . 11278 1 151 . 1 1 19 19 GLN HE22 H 1 7.235 0.030 . 2 . . . . 19 GLN HE22 . 11278 1 152 . 1 1 19 19 GLN HG2 H 1 2.620 0.030 . 2 . . . . 19 GLN HG2 . 11278 1 153 . 1 1 19 19 GLN HG3 H 1 2.301 0.030 . 2 . . . . 19 GLN HG3 . 11278 1 154 . 1 1 19 19 GLN C C 13 178.572 0.300 . 1 . . . . 19 GLN C . 11278 1 155 . 1 1 19 19 GLN CA C 13 59.166 0.300 . 1 . . . . 19 GLN CA . 11278 1 156 . 1 1 19 19 GLN CB C 13 28.634 0.300 . 1 . . . . 19 GLN CB . 11278 1 157 . 1 1 19 19 GLN CG C 13 34.417 0.300 . 1 . . . . 19 GLN CG . 11278 1 158 . 1 1 19 19 GLN N N 15 120.545 0.300 . 1 . . . . 19 GLN N . 11278 1 159 . 1 1 19 19 GLN NE2 N 15 110.065 0.300 . 1 . . . . 19 GLN NE2 . 11278 1 160 . 1 1 20 20 VAL H H 1 7.330 0.030 . 1 . . . . 20 VAL H . 11278 1 161 . 1 1 20 20 VAL HA H 1 3.719 0.030 . 1 . . . . 20 VAL HA . 11278 1 162 . 1 1 20 20 VAL HB H 1 2.267 0.030 . 1 . . . . 20 VAL HB . 11278 1 163 . 1 1 20 20 VAL HG11 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11278 1 164 . 1 1 20 20 VAL HG12 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11278 1 165 . 1 1 20 20 VAL HG13 H 1 0.907 0.030 . 1 . . . . 20 VAL HG1 . 11278 1 166 . 1 1 20 20 VAL HG21 H 1 1.023 0.030 . 1 . . . . 20 VAL HG2 . 11278 1 167 . 1 1 20 20 VAL HG22 H 1 1.023 0.030 . 1 . . . . 20 VAL HG2 . 11278 1 168 . 1 1 20 20 VAL HG23 H 1 1.023 0.030 . 1 . . . . 20 VAL HG2 . 11278 1 169 . 1 1 20 20 VAL C C 13 177.489 0.300 . 1 . . . . 20 VAL C . 11278 1 170 . 1 1 20 20 VAL CA C 13 65.956 0.300 . 1 . . . . 20 VAL CA . 11278 1 171 . 1 1 20 20 VAL CB C 13 31.664 0.300 . 1 . . . . 20 VAL CB . 11278 1 172 . 1 1 20 20 VAL CG1 C 13 22.072 0.300 . 2 . . . . 20 VAL CG1 . 11278 1 173 . 1 1 20 20 VAL CG2 C 13 21.250 0.300 . 2 . . . . 20 VAL CG2 . 11278 1 174 . 1 1 20 20 VAL N N 15 117.000 0.300 . 1 . . . . 20 VAL N . 11278 1 175 . 1 1 21 21 LYS H H 1 8.537 0.030 . 1 . . . . 21 LYS H . 11278 1 176 . 1 1 21 21 LYS HA H 1 3.840 0.030 . 1 . . . . 21 LYS HA . 11278 1 177 . 1 1 21 21 LYS HB2 H 1 1.701 0.030 . 2 . . . . 21 LYS HB2 . 11278 1 178 . 1 1 21 21 LYS HB3 H 1 1.954 0.030 . 2 . . . . 21 LYS HB3 . 11278 1 179 . 1 1 21 21 LYS HD2 H 1 1.621 0.030 . 2 . . . . 21 LYS HD2 . 11278 1 180 . 1 1 21 21 LYS HD3 H 1 1.746 0.030 . 2 . . . . 21 LYS HD3 . 11278 1 181 . 1 1 21 21 LYS HE2 H 1 3.086 0.030 . 1 . . . . 21 LYS HE2 . 11278 1 182 . 1 1 21 21 LYS HE3 H 1 3.086 0.030 . 1 . . . . 21 LYS HE3 . 11278 1 183 . 1 1 21 21 LYS HG2 H 1 1.555 0.030 . 1 . . . . 21 LYS HG2 . 11278 1 184 . 1 1 21 21 LYS HG3 H 1 1.555 0.030 . 1 . . . . 21 LYS HG3 . 11278 1 185 . 1 1 21 21 LYS C C 13 177.548 0.300 . 1 . . . . 21 LYS C . 11278 1 186 . 1 1 21 21 LYS CA C 13 58.376 0.300 . 1 . . . . 21 LYS CA . 11278 1 187 . 1 1 21 21 LYS CB C 13 32.995 0.300 . 1 . . . . 21 LYS CB . 11278 1 188 . 1 1 21 21 LYS CD C 13 29.658 0.300 . 1 . . . . 21 LYS CD . 11278 1 189 . 1 1 21 21 LYS CE C 13 42.463 0.300 . 1 . . . . 21 LYS CE . 11278 1 190 . 1 1 21 21 LYS CG C 13 25.279 0.300 . 1 . . . . 21 LYS CG . 11278 1 191 . 1 1 21 21 LYS N N 15 120.947 0.300 . 1 . . . . 21 LYS N . 11278 1 192 . 1 1 22 22 ASP H H 1 8.170 0.030 . 1 . . . . 22 ASP H . 11278 1 193 . 1 1 22 22 ASP HA H 1 4.321 0.030 . 1 . . . . 22 ASP HA . 11278 1 194 . 1 1 22 22 ASP HB2 H 1 2.519 0.030 . 2 . . . . 22 ASP HB2 . 11278 1 195 . 1 1 22 22 ASP HB3 H 1 2.728 0.030 . 2 . . . . 22 ASP HB3 . 11278 1 196 . 1 1 22 22 ASP C C 13 177.685 0.300 . 1 . . . . 22 ASP C . 11278 1 197 . 1 1 22 22 ASP CA C 13 56.898 0.300 . 1 . . . . 22 ASP CA . 11278 1 198 . 1 1 22 22 ASP CB C 13 40.789 0.300 . 1 . . . . 22 ASP CB . 11278 1 199 . 1 1 22 22 ASP N N 15 116.127 0.300 . 1 . . . . 22 ASP N . 11278 1 200 . 1 1 23 23 LEU H H 1 6.951 0.030 . 1 . . . . 23 LEU H . 11278 1 201 . 1 1 23 23 LEU HA H 1 4.425 0.030 . 1 . . . . 23 LEU HA . 11278 1 202 . 1 1 23 23 LEU HB2 H 1 1.645 0.030 . 2 . . . . 23 LEU HB2 . 11278 1 203 . 1 1 23 23 LEU HB3 H 1 1.746 0.030 . 2 . . . . 23 LEU HB3 . 11278 1 204 . 1 1 23 23 LEU HD11 H 1 0.998 0.030 . 1 . . . . 23 LEU HD1 . 11278 1 205 . 1 1 23 23 LEU HD12 H 1 0.998 0.030 . 1 . . . . 23 LEU HD1 . 11278 1 206 . 1 1 23 23 LEU HD13 H 1 0.998 0.030 . 1 . . . . 23 LEU HD1 . 11278 1 207 . 1 1 23 23 LEU HD21 H 1 0.941 0.030 . 1 . . . . 23 LEU HD2 . 11278 1 208 . 1 1 23 23 LEU HD22 H 1 0.941 0.030 . 1 . . . . 23 LEU HD2 . 11278 1 209 . 1 1 23 23 LEU HD23 H 1 0.941 0.030 . 1 . . . . 23 LEU HD2 . 11278 1 210 . 1 1 23 23 LEU HG H 1 1.797 0.030 . 1 . . . . 23 LEU HG . 11278 1 211 . 1 1 23 23 LEU C C 13 176.959 0.300 . 1 . . . . 23 LEU C . 11278 1 212 . 1 1 23 23 LEU CA C 13 55.523 0.300 . 1 . . . . 23 LEU CA . 11278 1 213 . 1 1 23 23 LEU CB C 13 43.888 0.300 . 1 . . . . 23 LEU CB . 11278 1 214 . 1 1 23 23 LEU CD1 C 13 24.985 0.300 . 2 . . . . 23 LEU CD1 . 11278 1 215 . 1 1 23 23 LEU CD2 C 13 23.881 0.300 . 2 . . . . 23 LEU CD2 . 11278 1 216 . 1 1 23 23 LEU CG C 13 28.006 0.300 . 1 . . . . 23 LEU CG . 11278 1 217 . 1 1 23 23 LEU N N 15 117.782 0.300 . 1 . . . . 23 LEU N . 11278 1 218 . 1 1 24 24 LEU H H 1 8.015 0.030 . 1 . . . . 24 LEU H . 11278 1 219 . 1 1 24 24 LEU HA H 1 4.890 0.030 . 1 . . . . 24 LEU HA . 11278 1 220 . 1 1 24 24 LEU HB2 H 1 1.753 0.030 . 2 . . . . 24 LEU HB2 . 11278 1 221 . 1 1 24 24 LEU HB3 H 1 1.444 0.030 . 2 . . . . 24 LEU HB3 . 11278 1 222 . 1 1 24 24 LEU HD11 H 1 0.966 0.030 . 1 . . . . 24 LEU HD1 . 11278 1 223 . 1 1 24 24 LEU HD12 H 1 0.966 0.030 . 1 . . . . 24 LEU HD1 . 11278 1 224 . 1 1 24 24 LEU HD13 H 1 0.966 0.030 . 1 . . . . 24 LEU HD1 . 11278 1 225 . 1 1 24 24 LEU HD21 H 1 0.968 0.030 . 1 . . . . 24 LEU HD2 . 11278 1 226 . 1 1 24 24 LEU HD22 H 1 0.968 0.030 . 1 . . . . 24 LEU HD2 . 11278 1 227 . 1 1 24 24 LEU HD23 H 1 0.968 0.030 . 1 . . . . 24 LEU HD2 . 11278 1 228 . 1 1 24 24 LEU HG H 1 1.522 0.030 . 1 . . . . 24 LEU HG . 11278 1 229 . 1 1 24 24 LEU C C 13 173.552 0.300 . 1 . . . . 24 LEU C . 11278 1 230 . 1 1 24 24 LEU CA C 13 52.409 0.300 . 1 . . . . 24 LEU CA . 11278 1 231 . 1 1 24 24 LEU CB C 13 41.982 0.300 . 1 . . . . 24 LEU CB . 11278 1 232 . 1 1 24 24 LEU CD1 C 13 27.811 0.300 . 2 . . . . 24 LEU CD1 . 11278 1 233 . 1 1 24 24 LEU CD2 C 13 23.876 0.300 . 2 . . . . 24 LEU CD2 . 11278 1 234 . 1 1 24 24 LEU CG C 13 26.373 0.300 . 1 . . . . 24 LEU CG . 11278 1 235 . 1 1 24 24 LEU N N 15 121.862 0.300 . 1 . . . . 24 LEU N . 11278 1 236 . 1 1 25 25 PRO HA H 1 4.646 0.030 . 1 . . . . 25 PRO HA . 11278 1 237 . 1 1 25 25 PRO HB2 H 1 1.938 0.030 . 2 . . . . 25 PRO HB2 . 11278 1 238 . 1 1 25 25 PRO HB3 H 1 2.377 0.030 . 2 . . . . 25 PRO HB3 . 11278 1 239 . 1 1 25 25 PRO HD2 H 1 3.292 0.030 . 2 . . . . 25 PRO HD2 . 11278 1 240 . 1 1 25 25 PRO HD3 H 1 3.644 0.030 . 2 . . . . 25 PRO HD3 . 11278 1 241 . 1 1 25 25 PRO HG2 H 1 1.826 0.030 . 2 . . . . 25 PRO HG2 . 11278 1 242 . 1 1 25 25 PRO HG3 H 1 1.947 0.030 . 2 . . . . 25 PRO HG3 . 11278 1 243 . 1 1 25 25 PRO C C 13 178.423 0.300 . 1 . . . . 25 PRO C . 11278 1 244 . 1 1 25 25 PRO CA C 13 64.592 0.300 . 1 . . . . 25 PRO CA . 11278 1 245 . 1 1 25 25 PRO CB C 13 32.295 0.300 . 1 . . . . 25 PRO CB . 11278 1 246 . 1 1 25 25 PRO CD C 13 50.603 0.300 . 1 . . . . 25 PRO CD . 11278 1 247 . 1 1 25 25 PRO CG C 13 27.025 0.300 . 1 . . . . 25 PRO CG . 11278 1 248 . 1 1 26 26 ASP H H 1 8.580 0.030 . 1 . . . . 26 ASP H . 11278 1 249 . 1 1 26 26 ASP HA H 1 4.558 0.030 . 1 . . . . 26 ASP HA . 11278 1 250 . 1 1 26 26 ASP HB2 H 1 2.529 0.030 . 2 . . . . 26 ASP HB2 . 11278 1 251 . 1 1 26 26 ASP HB3 H 1 2.696 0.030 . 2 . . . . 26 ASP HB3 . 11278 1 252 . 1 1 26 26 ASP C C 13 176.431 0.300 . 1 . . . . 26 ASP C . 11278 1 253 . 1 1 26 26 ASP CA C 13 54.472 0.300 . 1 . . . . 26 ASP CA . 11278 1 254 . 1 1 26 26 ASP CB C 13 40.440 0.300 . 1 . . . . 26 ASP CB . 11278 1 255 . 1 1 26 26 ASP N N 15 117.009 0.300 . 1 . . . . 26 ASP N . 11278 1 256 . 1 1 27 27 LEU H H 1 7.301 0.030 . 1 . . . . 27 LEU H . 11278 1 257 . 1 1 27 27 LEU HA H 1 4.340 0.030 . 1 . . . . 27 LEU HA . 11278 1 258 . 1 1 27 27 LEU HB2 H 1 1.591 0.030 . 2 . . . . 27 LEU HB2 . 11278 1 259 . 1 1 27 27 LEU HB3 H 1 1.976 0.030 . 2 . . . . 27 LEU HB3 . 11278 1 260 . 1 1 27 27 LEU HD11 H 1 1.056 0.030 . 1 . . . . 27 LEU HD1 . 11278 1 261 . 1 1 27 27 LEU HD12 H 1 1.056 0.030 . 1 . . . . 27 LEU HD1 . 11278 1 262 . 1 1 27 27 LEU HD13 H 1 1.056 0.030 . 1 . . . . 27 LEU HD1 . 11278 1 263 . 1 1 27 27 LEU HD21 H 1 0.836 0.030 . 1 . . . . 27 LEU HD2 . 11278 1 264 . 1 1 27 27 LEU HD22 H 1 0.836 0.030 . 1 . . . . 27 LEU HD2 . 11278 1 265 . 1 1 27 27 LEU HD23 H 1 0.836 0.030 . 1 . . . . 27 LEU HD2 . 11278 1 266 . 1 1 27 27 LEU HG H 1 1.840 0.030 . 1 . . . . 27 LEU HG . 11278 1 267 . 1 1 27 27 LEU C C 13 177.235 0.300 . 1 . . . . 27 LEU C . 11278 1 268 . 1 1 27 27 LEU CA C 13 54.304 0.300 . 1 . . . . 27 LEU CA . 11278 1 269 . 1 1 27 27 LEU CB C 13 43.389 0.300 . 1 . . . . 27 LEU CB . 11278 1 270 . 1 1 27 27 LEU CD1 C 13 28.085 0.300 . 2 . . . . 27 LEU CD1 . 11278 1 271 . 1 1 27 27 LEU CD2 C 13 22.812 0.300 . 2 . . . . 27 LEU CD2 . 11278 1 272 . 1 1 27 27 LEU CG C 13 26.486 0.300 . 1 . . . . 27 LEU CG . 11278 1 273 . 1 1 27 27 LEU N N 15 118.797 0.300 . 1 . . . . 27 LEU N . 11278 1 274 . 1 1 28 28 GLY H H 1 9.570 0.030 . 1 . . . . 28 GLY H . 11278 1 275 . 1 1 28 28 GLY HA2 H 1 3.568 0.030 . 2 . . . . 28 GLY HA2 . 11278 1 276 . 1 1 28 28 GLY HA3 H 1 4.154 0.030 . 2 . . . . 28 GLY HA3 . 11278 1 277 . 1 1 28 28 GLY C C 13 176.361 0.300 . 1 . . . . 28 GLY C . 11278 1 278 . 1 1 28 28 GLY CA C 13 44.691 0.300 . 1 . . . . 28 GLY CA . 11278 1 279 . 1 1 28 28 GLY N N 15 108.572 0.300 . 1 . . . . 28 GLY N . 11278 1 280 . 1 1 29 29 GLU H H 1 9.639 0.030 . 1 . . . . 29 GLU H . 11278 1 281 . 1 1 29 29 GLU HA H 1 3.786 0.030 . 1 . . . . 29 GLU HA . 11278 1 282 . 1 1 29 29 GLU HB2 H 1 2.108 0.030 . 2 . . . . 29 GLU HB2 . 11278 1 283 . 1 1 29 29 GLU HB3 H 1 2.038 0.030 . 2 . . . . 29 GLU HB3 . 11278 1 284 . 1 1 29 29 GLU HG2 H 1 2.120 0.030 . 2 . . . . 29 GLU HG2 . 11278 1 285 . 1 1 29 29 GLU HG3 H 1 2.560 0.030 . 2 . . . . 29 GLU HG3 . 11278 1 286 . 1 1 29 29 GLU C C 13 178.685 0.300 . 1 . . . . 29 GLU C . 11278 1 287 . 1 1 29 29 GLU CA C 13 60.633 0.300 . 1 . . . . 29 GLU CA . 11278 1 288 . 1 1 29 29 GLU CB C 13 30.642 0.300 . 1 . . . . 29 GLU CB . 11278 1 289 . 1 1 29 29 GLU CG C 13 38.023 0.300 . 1 . . . . 29 GLU CG . 11278 1 290 . 1 1 29 29 GLU N N 15 122.189 0.300 . 1 . . . . 29 GLU N . 11278 1 291 . 1 1 30 30 GLY H H 1 8.966 0.030 . 1 . . . . 30 GLY H . 11278 1 292 . 1 1 30 30 GLY HA2 H 1 3.497 0.030 . 2 . . . . 30 GLY HA2 . 11278 1 293 . 1 1 30 30 GLY HA3 H 1 3.740 0.030 . 2 . . . . 30 GLY HA3 . 11278 1 294 . 1 1 30 30 GLY C C 13 176.440 0.300 . 1 . . . . 30 GLY C . 11278 1 295 . 1 1 30 30 GLY CA C 13 46.716 0.300 . 1 . . . . 30 GLY CA . 11278 1 296 . 1 1 30 30 GLY N N 15 106.707 0.300 . 1 . . . . 30 GLY N . 11278 1 297 . 1 1 31 31 PHE H H 1 7.292 0.030 . 1 . . . . 31 PHE H . 11278 1 298 . 1 1 31 31 PHE HA H 1 4.185 0.030 . 1 . . . . 31 PHE HA . 11278 1 299 . 1 1 31 31 PHE HB2 H 1 3.227 0.030 . 2 . . . . 31 PHE HB2 . 11278 1 300 . 1 1 31 31 PHE HB3 H 1 3.531 0.030 . 2 . . . . 31 PHE HB3 . 11278 1 301 . 1 1 31 31 PHE HD1 H 1 7.051 0.030 . 1 . . . . 31 PHE HD1 . 11278 1 302 . 1 1 31 31 PHE HD2 H 1 7.051 0.030 . 1 . . . . 31 PHE HD2 . 11278 1 303 . 1 1 31 31 PHE HE1 H 1 7.292 0.030 . 1 . . . . 31 PHE HE1 . 11278 1 304 . 1 1 31 31 PHE HE2 H 1 7.292 0.030 . 1 . . . . 31 PHE HE2 . 11278 1 305 . 1 1 31 31 PHE HZ H 1 6.931 0.030 . 1 . . . . 31 PHE HZ . 11278 1 306 . 1 1 31 31 PHE C C 13 177.042 0.300 . 1 . . . . 31 PHE C . 11278 1 307 . 1 1 31 31 PHE CA C 13 61.688 0.300 . 1 . . . . 31 PHE CA . 11278 1 308 . 1 1 31 31 PHE CB C 13 39.126 0.300 . 1 . . . . 31 PHE CB . 11278 1 309 . 1 1 31 31 PHE CD1 C 13 131.800 0.300 . 1 . . . . 31 PHE CD1 . 11278 1 310 . 1 1 31 31 PHE CD2 C 13 131.800 0.300 . 1 . . . . 31 PHE CD2 . 11278 1 311 . 1 1 31 31 PHE CE1 C 13 131.632 0.300 . 1 . . . . 31 PHE CE1 . 11278 1 312 . 1 1 31 31 PHE CE2 C 13 131.632 0.300 . 1 . . . . 31 PHE CE2 . 11278 1 313 . 1 1 31 31 PHE CZ C 13 129.744 0.300 . 1 . . . . 31 PHE CZ . 11278 1 314 . 1 1 31 31 PHE N N 15 125.435 0.300 . 1 . . . . 31 PHE N . 11278 1 315 . 1 1 32 32 ILE H H 1 8.367 0.030 . 1 . . . . 32 ILE H . 11278 1 316 . 1 1 32 32 ILE HA H 1 3.115 0.030 . 1 . . . . 32 ILE HA . 11278 1 317 . 1 1 32 32 ILE HB H 1 1.856 0.030 . 1 . . . . 32 ILE HB . 11278 1 318 . 1 1 32 32 ILE HD11 H 1 0.870 0.030 . 1 . . . . 32 ILE HD1 . 11278 1 319 . 1 1 32 32 ILE HD12 H 1 0.870 0.030 . 1 . . . . 32 ILE HD1 . 11278 1 320 . 1 1 32 32 ILE HD13 H 1 0.870 0.030 . 1 . . . . 32 ILE HD1 . 11278 1 321 . 1 1 32 32 ILE HG12 H 1 0.760 0.030 . 2 . . . . 32 ILE HG12 . 11278 1 322 . 1 1 32 32 ILE HG13 H 1 2.078 0.030 . 2 . . . . 32 ILE HG13 . 11278 1 323 . 1 1 32 32 ILE HG21 H 1 0.978 0.030 . 1 . . . . 32 ILE HG2 . 11278 1 324 . 1 1 32 32 ILE HG22 H 1 0.978 0.030 . 1 . . . . 32 ILE HG2 . 11278 1 325 . 1 1 32 32 ILE HG23 H 1 0.978 0.030 . 1 . . . . 32 ILE HG2 . 11278 1 326 . 1 1 32 32 ILE C C 13 177.704 0.300 . 1 . . . . 32 ILE C . 11278 1 327 . 1 1 32 32 ILE CA C 13 66.947 0.300 . 1 . . . . 32 ILE CA . 11278 1 328 . 1 1 32 32 ILE CB C 13 37.937 0.300 . 1 . . . . 32 ILE CB . 11278 1 329 . 1 1 32 32 ILE CD1 C 13 14.118 0.300 . 1 . . . . 32 ILE CD1 . 11278 1 330 . 1 1 32 32 ILE CG1 C 13 29.966 0.300 . 1 . . . . 32 ILE CG1 . 11278 1 331 . 1 1 32 32 ILE CG2 C 13 18.619 0.300 . 1 . . . . 32 ILE CG2 . 11278 1 332 . 1 1 32 32 ILE N N 15 119.192 0.300 . 1 . . . . 32 ILE N . 11278 1 333 . 1 1 33 33 LEU H H 1 8.383 0.030 . 1 . . . . 33 LEU H . 11278 1 334 . 1 1 33 33 LEU HA H 1 3.984 0.030 . 1 . . . . 33 LEU HA . 11278 1 335 . 1 1 33 33 LEU HB2 H 1 1.575 0.030 . 2 . . . . 33 LEU HB2 . 11278 1 336 . 1 1 33 33 LEU HB3 H 1 1.946 0.030 . 2 . . . . 33 LEU HB3 . 11278 1 337 . 1 1 33 33 LEU HD11 H 1 0.988 0.030 . 1 . . . . 33 LEU HD1 . 11278 1 338 . 1 1 33 33 LEU HD12 H 1 0.988 0.030 . 1 . . . . 33 LEU HD1 . 11278 1 339 . 1 1 33 33 LEU HD13 H 1 0.988 0.030 . 1 . . . . 33 LEU HD1 . 11278 1 340 . 1 1 33 33 LEU HD21 H 1 1.098 0.030 . 1 . . . . 33 LEU HD2 . 11278 1 341 . 1 1 33 33 LEU HD22 H 1 1.098 0.030 . 1 . . . . 33 LEU HD2 . 11278 1 342 . 1 1 33 33 LEU HD23 H 1 1.098 0.030 . 1 . . . . 33 LEU HD2 . 11278 1 343 . 1 1 33 33 LEU HG H 1 1.645 0.030 . 1 . . . . 33 LEU HG . 11278 1 344 . 1 1 33 33 LEU C C 13 177.230 0.300 . 1 . . . . 33 LEU C . 11278 1 345 . 1 1 33 33 LEU CA C 13 58.726 0.300 . 1 . . . . 33 LEU CA . 11278 1 346 . 1 1 33 33 LEU CB C 13 41.707 0.300 . 1 . . . . 33 LEU CB . 11278 1 347 . 1 1 33 33 LEU CD1 C 13 26.101 0.300 . 2 . . . . 33 LEU CD1 . 11278 1 348 . 1 1 33 33 LEU CD2 C 13 24.477 0.300 . 2 . . . . 33 LEU CD2 . 11278 1 349 . 1 1 33 33 LEU CG C 13 27.233 0.300 . 1 . . . . 33 LEU CG . 11278 1 350 . 1 1 33 33 LEU N N 15 119.698 0.300 . 1 . . . . 33 LEU N . 11278 1 351 . 1 1 34 34 ALA H H 1 7.599 0.030 . 1 . . . . 34 ALA H . 11278 1 352 . 1 1 34 34 ALA HA H 1 4.024 0.030 . 1 . . . . 34 ALA HA . 11278 1 353 . 1 1 34 34 ALA HB1 H 1 1.270 0.030 . 1 . . . . 34 ALA HB . 11278 1 354 . 1 1 34 34 ALA HB2 H 1 1.270 0.030 . 1 . . . . 34 ALA HB . 11278 1 355 . 1 1 34 34 ALA HB3 H 1 1.270 0.030 . 1 . . . . 34 ALA HB . 11278 1 356 . 1 1 34 34 ALA C C 13 181.507 0.300 . 1 . . . . 34 ALA C . 11278 1 357 . 1 1 34 34 ALA CA C 13 55.210 0.300 . 1 . . . . 34 ALA CA . 11278 1 358 . 1 1 34 34 ALA CB C 13 17.489 0.300 . 1 . . . . 34 ALA CB . 11278 1 359 . 1 1 34 34 ALA N N 15 120.842 0.300 . 1 . . . . 34 ALA N . 11278 1 360 . 1 1 35 35 CYS H H 1 7.663 0.030 . 1 . . . . 35 CYS H . 11278 1 361 . 1 1 35 35 CYS HA H 1 4.007 0.030 . 1 . . . . 35 CYS HA . 11278 1 362 . 1 1 35 35 CYS HB2 H 1 2.408 0.030 . 2 . . . . 35 CYS HB2 . 11278 1 363 . 1 1 35 35 CYS HB3 H 1 3.070 0.030 . 2 . . . . 35 CYS HB3 . 11278 1 364 . 1 1 35 35 CYS C C 13 176.730 0.300 . 1 . . . . 35 CYS C . 11278 1 365 . 1 1 35 35 CYS CA C 13 63.067 0.300 . 1 . . . . 35 CYS CA . 11278 1 366 . 1 1 35 35 CYS CB C 13 27.997 0.300 . 1 . . . . 35 CYS CB . 11278 1 367 . 1 1 35 35 CYS N N 15 115.513 0.300 . 1 . . . . 35 CYS N . 11278 1 368 . 1 1 36 36 LEU H H 1 8.816 0.030 . 1 . . . . 36 LEU H . 11278 1 369 . 1 1 36 36 LEU HA H 1 3.442 0.030 . 1 . . . . 36 LEU HA . 11278 1 370 . 1 1 36 36 LEU HB2 H 1 1.048 0.030 . 2 . . . . 36 LEU HB2 . 11278 1 371 . 1 1 36 36 LEU HB3 H 1 2.109 0.030 . 2 . . . . 36 LEU HB3 . 11278 1 372 . 1 1 36 36 LEU HD11 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 11278 1 373 . 1 1 36 36 LEU HD12 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 11278 1 374 . 1 1 36 36 LEU HD13 H 1 0.781 0.030 . 1 . . . . 36 LEU HD1 . 11278 1 375 . 1 1 36 36 LEU HD21 H 1 0.617 0.030 . 1 . . . . 36 LEU HD2 . 11278 1 376 . 1 1 36 36 LEU HD22 H 1 0.617 0.030 . 1 . . . . 36 LEU HD2 . 11278 1 377 . 1 1 36 36 LEU HD23 H 1 0.617 0.030 . 1 . . . . 36 LEU HD2 . 11278 1 378 . 1 1 36 36 LEU HG H 1 1.629 0.030 . 1 . . . . 36 LEU HG . 11278 1 379 . 1 1 36 36 LEU C C 13 177.787 0.300 . 1 . . . . 36 LEU C . 11278 1 380 . 1 1 36 36 LEU CA C 13 58.217 0.300 . 1 . . . . 36 LEU CA . 11278 1 381 . 1 1 36 36 LEU CB C 13 42.269 0.300 . 1 . . . . 36 LEU CB . 11278 1 382 . 1 1 36 36 LEU CD1 C 13 28.074 0.300 . 2 . . . . 36 LEU CD1 . 11278 1 383 . 1 1 36 36 LEU CD2 C 13 23.306 0.300 . 2 . . . . 36 LEU CD2 . 11278 1 384 . 1 1 36 36 LEU CG C 13 27.363 0.300 . 1 . . . . 36 LEU CG . 11278 1 385 . 1 1 36 36 LEU N N 15 121.239 0.300 . 1 . . . . 36 LEU N . 11278 1 386 . 1 1 37 37 GLU H H 1 8.335 0.030 . 1 . . . . 37 GLU H . 11278 1 387 . 1 1 37 37 GLU HA H 1 2.928 0.030 . 1 . . . . 37 GLU HA . 11278 1 388 . 1 1 37 37 GLU HB2 H 1 1.787 0.030 . 2 . . . . 37 GLU HB2 . 11278 1 389 . 1 1 37 37 GLU HB3 H 1 1.936 0.030 . 2 . . . . 37 GLU HB3 . 11278 1 390 . 1 1 37 37 GLU HG2 H 1 2.141 0.030 . 2 . . . . 37 GLU HG2 . 11278 1 391 . 1 1 37 37 GLU HG3 H 1 2.376 0.030 . 2 . . . . 37 GLU HG3 . 11278 1 392 . 1 1 37 37 GLU C C 13 178.659 0.300 . 1 . . . . 37 GLU C . 11278 1 393 . 1 1 37 37 GLU CA C 13 59.380 0.300 . 1 . . . . 37 GLU CA . 11278 1 394 . 1 1 37 37 GLU CB C 13 29.244 0.300 . 1 . . . . 37 GLU CB . 11278 1 395 . 1 1 37 37 GLU CG C 13 36.214 0.300 . 1 . . . . 37 GLU CG . 11278 1 396 . 1 1 37 37 GLU N N 15 117.106 0.300 . 1 . . . . 37 GLU N . 11278 1 397 . 1 1 38 38 TYR H H 1 7.280 0.030 . 1 . . . . 38 TYR H . 11278 1 398 . 1 1 38 38 TYR HA H 1 3.660 0.030 . 1 . . . . 38 TYR HA . 11278 1 399 . 1 1 38 38 TYR HB2 H 1 2.499 0.030 . 2 . . . . 38 TYR HB2 . 11278 1 400 . 1 1 38 38 TYR HB3 H 1 2.776 0.030 . 2 . . . . 38 TYR HB3 . 11278 1 401 . 1 1 38 38 TYR HD1 H 1 5.871 0.030 . 1 . . . . 38 TYR HD1 . 11278 1 402 . 1 1 38 38 TYR HD2 H 1 5.871 0.030 . 1 . . . . 38 TYR HD2 . 11278 1 403 . 1 1 38 38 TYR HE1 H 1 6.488 0.030 . 1 . . . . 38 TYR HE1 . 11278 1 404 . 1 1 38 38 TYR HE2 H 1 6.488 0.030 . 1 . . . . 38 TYR HE2 . 11278 1 405 . 1 1 38 38 TYR C C 13 176.877 0.300 . 1 . . . . 38 TYR C . 11278 1 406 . 1 1 38 38 TYR CA C 13 61.295 0.300 . 1 . . . . 38 TYR CA . 11278 1 407 . 1 1 38 38 TYR CB C 13 39.897 0.300 . 1 . . . . 38 TYR CB . 11278 1 408 . 1 1 38 38 TYR CD1 C 13 133.141 0.300 . 1 . . . . 38 TYR CD1 . 11278 1 409 . 1 1 38 38 TYR CD2 C 13 133.141 0.300 . 1 . . . . 38 TYR CD2 . 11278 1 410 . 1 1 38 38 TYR CE1 C 13 117.500 0.300 . 1 . . . . 38 TYR CE1 . 11278 1 411 . 1 1 38 38 TYR CE2 C 13 117.500 0.300 . 1 . . . . 38 TYR CE2 . 11278 1 412 . 1 1 38 38 TYR N N 15 119.593 0.300 . 1 . . . . 38 TYR N . 11278 1 413 . 1 1 39 39 TYR H H 1 7.715 0.030 . 1 . . . . 39 TYR H . 11278 1 414 . 1 1 39 39 TYR HA H 1 4.476 0.030 . 1 . . . . 39 TYR HA . 11278 1 415 . 1 1 39 39 TYR HB2 H 1 2.417 0.030 . 2 . . . . 39 TYR HB2 . 11278 1 416 . 1 1 39 39 TYR HB3 H 1 3.461 0.030 . 2 . . . . 39 TYR HB3 . 11278 1 417 . 1 1 39 39 TYR HD1 H 1 7.243 0.030 . 1 . . . . 39 TYR HD1 . 11278 1 418 . 1 1 39 39 TYR HD2 H 1 7.243 0.030 . 1 . . . . 39 TYR HD2 . 11278 1 419 . 1 1 39 39 TYR HE1 H 1 6.763 0.030 . 1 . . . . 39 TYR HE1 . 11278 1 420 . 1 1 39 39 TYR HE2 H 1 6.763 0.030 . 1 . . . . 39 TYR HE2 . 11278 1 421 . 1 1 39 39 TYR C C 13 174.664 0.300 . 1 . . . . 39 TYR C . 11278 1 422 . 1 1 39 39 TYR CA C 13 57.822 0.300 . 1 . . . . 39 TYR CA . 11278 1 423 . 1 1 39 39 TYR CB C 13 35.629 0.300 . 1 . . . . 39 TYR CB . 11278 1 424 . 1 1 39 39 TYR CD1 C 13 133.365 0.300 . 1 . . . . 39 TYR CD1 . 11278 1 425 . 1 1 39 39 TYR CD2 C 13 133.365 0.300 . 1 . . . . 39 TYR CD2 . 11278 1 426 . 1 1 39 39 TYR CE1 C 13 118.115 0.300 . 1 . . . . 39 TYR CE1 . 11278 1 427 . 1 1 39 39 TYR CE2 C 13 118.115 0.300 . 1 . . . . 39 TYR CE2 . 11278 1 428 . 1 1 39 39 TYR N N 15 115.538 0.300 . 1 . . . . 39 TYR N . 11278 1 429 . 1 1 40 40 HIS H H 1 7.063 0.030 . 1 . . . . 40 HIS H . 11278 1 430 . 1 1 40 40 HIS HA H 1 4.015 0.030 . 1 . . . . 40 HIS HA . 11278 1 431 . 1 1 40 40 HIS HB2 H 1 3.291 0.030 . 2 . . . . 40 HIS HB2 . 11278 1 432 . 1 1 40 40 HIS HB3 H 1 3.345 0.030 . 2 . . . . 40 HIS HB3 . 11278 1 433 . 1 1 40 40 HIS HD2 H 1 7.131 0.030 . 1 . . . . 40 HIS HD2 . 11278 1 434 . 1 1 40 40 HIS HE1 H 1 8.171 0.030 . 1 . . . . 40 HIS HE1 . 11278 1 435 . 1 1 40 40 HIS C C 13 174.075 0.300 . 1 . . . . 40 HIS C . 11278 1 436 . 1 1 40 40 HIS CA C 13 57.458 0.300 . 1 . . . . 40 HIS CA . 11278 1 437 . 1 1 40 40 HIS CB C 13 26.555 0.300 . 1 . . . . 40 HIS CB . 11278 1 438 . 1 1 40 40 HIS CD2 C 13 119.719 0.300 . 1 . . . . 40 HIS CD2 . 11278 1 439 . 1 1 40 40 HIS CE1 C 13 137.111 0.300 . 1 . . . . 40 HIS CE1 . 11278 1 440 . 1 1 40 40 HIS N N 15 112.438 0.300 . 1 . . . . 40 HIS N . 11278 1 441 . 1 1 41 41 TYR H H 1 9.121 0.030 . 1 . . . . 41 TYR H . 11278 1 442 . 1 1 41 41 TYR HA H 1 3.256 0.030 . 1 . . . . 41 TYR HA . 11278 1 443 . 1 1 41 41 TYR HB2 H 1 3.080 0.030 . 2 . . . . 41 TYR HB2 . 11278 1 444 . 1 1 41 41 TYR HB3 H 1 3.178 0.030 . 2 . . . . 41 TYR HB3 . 11278 1 445 . 1 1 41 41 TYR HD1 H 1 6.729 0.030 . 1 . . . . 41 TYR HD1 . 11278 1 446 . 1 1 41 41 TYR HD2 H 1 6.729 0.030 . 1 . . . . 41 TYR HD2 . 11278 1 447 . 1 1 41 41 TYR HE1 H 1 6.727 0.030 . 1 . . . . 41 TYR HE1 . 11278 1 448 . 1 1 41 41 TYR HE2 H 1 6.727 0.030 . 1 . . . . 41 TYR HE2 . 11278 1 449 . 1 1 41 41 TYR C C 13 173.080 0.300 . 1 . . . . 41 TYR C . 11278 1 450 . 1 1 41 41 TYR CA C 13 60.169 0.300 . 1 . . . . 41 TYR CA . 11278 1 451 . 1 1 41 41 TYR CB C 13 34.438 0.300 . 1 . . . . 41 TYR CB . 11278 1 452 . 1 1 41 41 TYR CD1 C 13 132.750 0.300 . 1 . . . . 41 TYR CD1 . 11278 1 453 . 1 1 41 41 TYR CD2 C 13 132.750 0.300 . 1 . . . . 41 TYR CD2 . 11278 1 454 . 1 1 41 41 TYR CE1 C 13 117.947 0.300 . 1 . . . . 41 TYR CE1 . 11278 1 455 . 1 1 41 41 TYR CE2 C 13 117.947 0.300 . 1 . . . . 41 TYR CE2 . 11278 1 456 . 1 1 41 41 TYR N N 15 109.656 0.300 . 1 . . . . 41 TYR N . 11278 1 457 . 1 1 42 42 ASP H H 1 7.146 0.030 . 1 . . . . 42 ASP H . 11278 1 458 . 1 1 42 42 ASP HA H 1 5.193 0.030 . 1 . . . . 42 ASP HA . 11278 1 459 . 1 1 42 42 ASP HB2 H 1 2.620 0.030 . 2 . . . . 42 ASP HB2 . 11278 1 460 . 1 1 42 42 ASP HB3 H 1 3.243 0.030 . 2 . . . . 42 ASP HB3 . 11278 1 461 . 1 1 42 42 ASP C C 13 175.529 0.300 . 1 . . . . 42 ASP C . 11278 1 462 . 1 1 42 42 ASP CA C 13 50.361 0.300 . 1 . . . . 42 ASP CA . 11278 1 463 . 1 1 42 42 ASP CB C 13 41.932 0.300 . 1 . . . . 42 ASP CB . 11278 1 464 . 1 1 42 42 ASP N N 15 116.718 0.300 . 1 . . . . 42 ASP N . 11278 1 465 . 1 1 43 43 PRO HA H 1 3.856 0.030 . 1 . . . . 43 PRO HA . 11278 1 466 . 1 1 43 43 PRO HB2 H 1 1.933 0.030 . 2 . . . . 43 PRO HB2 . 11278 1 467 . 1 1 43 43 PRO HB3 H 1 2.032 0.030 . 2 . . . . 43 PRO HB3 . 11278 1 468 . 1 1 43 43 PRO HD2 H 1 4.167 0.030 . 2 . . . . 43 PRO HD2 . 11278 1 469 . 1 1 43 43 PRO HD3 H 1 4.282 0.030 . 2 . . . . 43 PRO HD3 . 11278 1 470 . 1 1 43 43 PRO HG2 H 1 2.229 0.030 . 2 . . . . 43 PRO HG2 . 11278 1 471 . 1 1 43 43 PRO HG3 H 1 1.978 0.030 . 2 . . . . 43 PRO HG3 . 11278 1 472 . 1 1 43 43 PRO C C 13 177.593 0.300 . 1 . . . . 43 PRO C . 11278 1 473 . 1 1 43 43 PRO CA C 13 64.955 0.300 . 1 . . . . 43 PRO CA . 11278 1 474 . 1 1 43 43 PRO CB C 13 32.083 0.300 . 1 . . . . 43 PRO CB . 11278 1 475 . 1 1 43 43 PRO CD C 13 51.096 0.300 . 1 . . . . 43 PRO CD . 11278 1 476 . 1 1 43 43 PRO CG C 13 27.417 0.300 . 1 . . . . 43 PRO CG . 11278 1 477 . 1 1 44 44 GLU H H 1 7.745 0.030 . 1 . . . . 44 GLU H . 11278 1 478 . 1 1 44 44 GLU HA H 1 3.920 0.030 . 1 . . . . 44 GLU HA . 11278 1 479 . 1 1 44 44 GLU HB2 H 1 2.074 0.030 . 1 . . . . 44 GLU HB2 . 11278 1 480 . 1 1 44 44 GLU HB3 H 1 2.074 0.030 . 1 . . . . 44 GLU HB3 . 11278 1 481 . 1 1 44 44 GLU HG2 H 1 2.145 0.030 . 2 . . . . 44 GLU HG2 . 11278 1 482 . 1 1 44 44 GLU HG3 H 1 2.279 0.030 . 2 . . . . 44 GLU HG3 . 11278 1 483 . 1 1 44 44 GLU C C 13 178.964 0.300 . 1 . . . . 44 GLU C . 11278 1 484 . 1 1 44 44 GLU CA C 13 59.670 0.300 . 1 . . . . 44 GLU CA . 11278 1 485 . 1 1 44 44 GLU CB C 13 29.317 0.300 . 1 . . . . 44 GLU CB . 11278 1 486 . 1 1 44 44 GLU CG C 13 36.543 0.300 . 1 . . . . 44 GLU CG . 11278 1 487 . 1 1 44 44 GLU N N 15 117.021 0.300 . 1 . . . . 44 GLU N . 11278 1 488 . 1 1 45 45 GLN H H 1 6.998 0.030 . 1 . . . . 45 GLN H . 11278 1 489 . 1 1 45 45 GLN HA H 1 3.871 0.030 . 1 . . . . 45 GLN HA . 11278 1 490 . 1 1 45 45 GLN HB2 H 1 1.746 0.030 . 2 . . . . 45 GLN HB2 . 11278 1 491 . 1 1 45 45 GLN HB3 H 1 1.963 0.030 . 2 . . . . 45 GLN HB3 . 11278 1 492 . 1 1 45 45 GLN HE21 H 1 6.928 0.030 . 2 . . . . 45 GLN HE21 . 11278 1 493 . 1 1 45 45 GLN HE22 H 1 8.026 0.030 . 2 . . . . 45 GLN HE22 . 11278 1 494 . 1 1 45 45 GLN HG2 H 1 2.396 0.030 . 2 . . . . 45 GLN HG2 . 11278 1 495 . 1 1 45 45 GLN HG3 H 1 2.157 0.030 . 2 . . . . 45 GLN HG3 . 11278 1 496 . 1 1 45 45 GLN C C 13 178.079 0.300 . 1 . . . . 45 GLN C . 11278 1 497 . 1 1 45 45 GLN CA C 13 58.444 0.300 . 1 . . . . 45 GLN CA . 11278 1 498 . 1 1 45 45 GLN CB C 13 29.329 0.300 . 1 . . . . 45 GLN CB . 11278 1 499 . 1 1 45 45 GLN CG C 13 34.359 0.300 . 1 . . . . 45 GLN CG . 11278 1 500 . 1 1 45 45 GLN N N 15 116.957 0.300 . 1 . . . . 45 GLN N . 11278 1 501 . 1 1 45 45 GLN NE2 N 15 113.649 0.300 . 1 . . . . 45 GLN NE2 . 11278 1 502 . 1 1 46 46 VAL H H 1 7.276 0.030 . 1 . . . . 46 VAL H . 11278 1 503 . 1 1 46 46 VAL HA H 1 3.003 0.030 . 1 . . . . 46 VAL HA . 11278 1 504 . 1 1 46 46 VAL HB H 1 2.166 0.030 . 1 . . . . 46 VAL HB . 11278 1 505 . 1 1 46 46 VAL HG11 H 1 0.838 0.030 . 1 . . . . 46 VAL HG1 . 11278 1 506 . 1 1 46 46 VAL HG12 H 1 0.838 0.030 . 1 . . . . 46 VAL HG1 . 11278 1 507 . 1 1 46 46 VAL HG13 H 1 0.838 0.030 . 1 . . . . 46 VAL HG1 . 11278 1 508 . 1 1 46 46 VAL HG21 H 1 0.948 0.030 . 1 . . . . 46 VAL HG2 . 11278 1 509 . 1 1 46 46 VAL HG22 H 1 0.948 0.030 . 1 . . . . 46 VAL HG2 . 11278 1 510 . 1 1 46 46 VAL HG23 H 1 0.948 0.030 . 1 . . . . 46 VAL HG2 . 11278 1 511 . 1 1 46 46 VAL C C 13 176.019 0.300 . 1 . . . . 46 VAL C . 11278 1 512 . 1 1 46 46 VAL CA C 13 68.078 0.300 . 1 . . . . 46 VAL CA . 11278 1 513 . 1 1 46 46 VAL CB C 13 31.328 0.300 . 1 . . . . 46 VAL CB . 11278 1 514 . 1 1 46 46 VAL CG1 C 13 22.895 0.300 . 2 . . . . 46 VAL CG1 . 11278 1 515 . 1 1 46 46 VAL CG2 C 13 23.963 0.300 . 2 . . . . 46 VAL CG2 . 11278 1 516 . 1 1 46 46 VAL N N 15 117.898 0.300 . 1 . . . . 46 VAL N . 11278 1 517 . 1 1 47 47 ILE H H 1 8.207 0.030 . 1 . . . . 47 ILE H . 11278 1 518 . 1 1 47 47 ILE HA H 1 3.395 0.030 . 1 . . . . 47 ILE HA . 11278 1 519 . 1 1 47 47 ILE HB H 1 1.710 0.030 . 1 . . . . 47 ILE HB . 11278 1 520 . 1 1 47 47 ILE HD11 H 1 0.878 0.030 . 1 . . . . 47 ILE HD1 . 11278 1 521 . 1 1 47 47 ILE HD12 H 1 0.878 0.030 . 1 . . . . 47 ILE HD1 . 11278 1 522 . 1 1 47 47 ILE HD13 H 1 0.878 0.030 . 1 . . . . 47 ILE HD1 . 11278 1 523 . 1 1 47 47 ILE HG12 H 1 1.820 0.030 . 2 . . . . 47 ILE HG12 . 11278 1 524 . 1 1 47 47 ILE HG13 H 1 0.994 0.030 . 2 . . . . 47 ILE HG13 . 11278 1 525 . 1 1 47 47 ILE HG21 H 1 0.902 0.030 . 1 . . . . 47 ILE HG2 . 11278 1 526 . 1 1 47 47 ILE HG22 H 1 0.902 0.030 . 1 . . . . 47 ILE HG2 . 11278 1 527 . 1 1 47 47 ILE HG23 H 1 0.902 0.030 . 1 . . . . 47 ILE HG2 . 11278 1 528 . 1 1 47 47 ILE C C 13 177.554 0.300 . 1 . . . . 47 ILE C . 11278 1 529 . 1 1 47 47 ILE CA C 13 65.834 0.300 . 1 . . . . 47 ILE CA . 11278 1 530 . 1 1 47 47 ILE CB C 13 39.129 0.300 . 1 . . . . 47 ILE CB . 11278 1 531 . 1 1 47 47 ILE CD1 C 13 14.097 0.300 . 1 . . . . 47 ILE CD1 . 11278 1 532 . 1 1 47 47 ILE CG1 C 13 30.705 0.300 . 1 . . . . 47 ILE CG1 . 11278 1 533 . 1 1 47 47 ILE CG2 C 13 17.879 0.300 . 1 . . . . 47 ILE CG2 . 11278 1 534 . 1 1 47 47 ILE N N 15 116.853 0.300 . 1 . . . . 47 ILE N . 11278 1 535 . 1 1 48 48 ASN H H 1 8.035 0.030 . 1 . . . . 48 ASN H . 11278 1 536 . 1 1 48 48 ASN HA H 1 4.359 0.030 . 1 . . . . 48 ASN HA . 11278 1 537 . 1 1 48 48 ASN HB2 H 1 2.566 0.030 . 2 . . . . 48 ASN HB2 . 11278 1 538 . 1 1 48 48 ASN HB3 H 1 2.652 0.030 . 2 . . . . 48 ASN HB3 . 11278 1 539 . 1 1 48 48 ASN HD21 H 1 6.944 0.030 . 2 . . . . 48 ASN HD21 . 11278 1 540 . 1 1 48 48 ASN HD22 H 1 7.408 0.030 . 2 . . . . 48 ASN HD22 . 11278 1 541 . 1 1 48 48 ASN C C 13 177.275 0.300 . 1 . . . . 48 ASN C . 11278 1 542 . 1 1 48 48 ASN CA C 13 56.663 0.300 . 1 . . . . 48 ASN CA . 11278 1 543 . 1 1 48 48 ASN CB C 13 38.205 0.300 . 1 . . . . 48 ASN CB . 11278 1 544 . 1 1 48 48 ASN N N 15 115.231 0.300 . 1 . . . . 48 ASN N . 11278 1 545 . 1 1 48 48 ASN ND2 N 15 112.365 0.300 . 1 . . . . 48 ASN ND2 . 11278 1 546 . 1 1 49 49 ASN H H 1 8.012 0.030 . 1 . . . . 49 ASN H . 11278 1 547 . 1 1 49 49 ASN HA H 1 4.264 0.030 . 1 . . . . 49 ASN HA . 11278 1 548 . 1 1 49 49 ASN HB2 H 1 2.170 0.030 . 2 . . . . 49 ASN HB2 . 11278 1 549 . 1 1 49 49 ASN HB3 H 1 2.396 0.030 . 2 . . . . 49 ASN HB3 . 11278 1 550 . 1 1 49 49 ASN HD21 H 1 6.987 0.030 . 2 . . . . 49 ASN HD21 . 11278 1 551 . 1 1 49 49 ASN HD22 H 1 5.010 0.030 . 2 . . . . 49 ASN HD22 . 11278 1 552 . 1 1 49 49 ASN C C 13 177.655 0.300 . 1 . . . . 49 ASN C . 11278 1 553 . 1 1 49 49 ASN CA C 13 56.393 0.300 . 1 . . . . 49 ASN CA . 11278 1 554 . 1 1 49 49 ASN CB C 13 37.421 0.300 . 1 . . . . 49 ASN CB . 11278 1 555 . 1 1 49 49 ASN N N 15 115.858 0.300 . 1 . . . . 49 ASN N . 11278 1 556 . 1 1 49 49 ASN ND2 N 15 110.740 0.300 . 1 . . . . 49 ASN ND2 . 11278 1 557 . 1 1 50 50 ILE H H 1 7.987 0.030 . 1 . . . . 50 ILE H . 11278 1 558 . 1 1 50 50 ILE HA H 1 3.765 0.030 . 1 . . . . 50 ILE HA . 11278 1 559 . 1 1 50 50 ILE HB H 1 1.909 0.030 . 1 . . . . 50 ILE HB . 11278 1 560 . 1 1 50 50 ILE HD11 H 1 0.906 0.030 . 1 . . . . 50 ILE HD1 . 11278 1 561 . 1 1 50 50 ILE HD12 H 1 0.906 0.030 . 1 . . . . 50 ILE HD1 . 11278 1 562 . 1 1 50 50 ILE HD13 H 1 0.906 0.030 . 1 . . . . 50 ILE HD1 . 11278 1 563 . 1 1 50 50 ILE HG12 H 1 2.098 0.030 . 2 . . . . 50 ILE HG12 . 11278 1 564 . 1 1 50 50 ILE HG13 H 1 1.002 0.030 . 2 . . . . 50 ILE HG13 . 11278 1 565 . 1 1 50 50 ILE HG21 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 11278 1 566 . 1 1 50 50 ILE HG22 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 11278 1 567 . 1 1 50 50 ILE HG23 H 1 0.958 0.030 . 1 . . . . 50 ILE HG2 . 11278 1 568 . 1 1 50 50 ILE C C 13 180.107 0.300 . 1 . . . . 50 ILE C . 11278 1 569 . 1 1 50 50 ILE CA C 13 66.045 0.300 . 1 . . . . 50 ILE CA . 11278 1 570 . 1 1 50 50 ILE CB C 13 38.068 0.300 . 1 . . . . 50 ILE CB . 11278 1 571 . 1 1 50 50 ILE CD1 C 13 15.084 0.300 . 1 . . . . 50 ILE CD1 . 11278 1 572 . 1 1 50 50 ILE CG1 C 13 30.860 0.300 . 1 . . . . 50 ILE CG1 . 11278 1 573 . 1 1 50 50 ILE CG2 C 13 17.550 0.300 . 1 . . . . 50 ILE CG2 . 11278 1 574 . 1 1 50 50 ILE N N 15 119.973 0.300 . 1 . . . . 50 ILE N . 11278 1 575 . 1 1 51 51 LEU H H 1 8.704 0.030 . 1 . . . . 51 LEU H . 11278 1 576 . 1 1 51 51 LEU HA H 1 4.068 0.030 . 1 . . . . 51 LEU HA . 11278 1 577 . 1 1 51 51 LEU HB2 H 1 1.486 0.030 . 2 . . . . 51 LEU HB2 . 11278 1 578 . 1 1 51 51 LEU HB3 H 1 2.002 0.030 . 2 . . . . 51 LEU HB3 . 11278 1 579 . 1 1 51 51 LEU HD11 H 1 0.884 0.030 . 1 . . . . 51 LEU HD1 . 11278 1 580 . 1 1 51 51 LEU HD12 H 1 0.884 0.030 . 1 . . . . 51 LEU HD1 . 11278 1 581 . 1 1 51 51 LEU HD13 H 1 0.884 0.030 . 1 . . . . 51 LEU HD1 . 11278 1 582 . 1 1 51 51 LEU HD21 H 1 0.918 0.030 . 1 . . . . 51 LEU HD2 . 11278 1 583 . 1 1 51 51 LEU HD22 H 1 0.918 0.030 . 1 . . . . 51 LEU HD2 . 11278 1 584 . 1 1 51 51 LEU HD23 H 1 0.918 0.030 . 1 . . . . 51 LEU HD2 . 11278 1 585 . 1 1 51 51 LEU HG H 1 1.917 0.030 . 1 . . . . 51 LEU HG . 11278 1 586 . 1 1 51 51 LEU C C 13 179.889 0.300 . 1 . . . . 51 LEU C . 11278 1 587 . 1 1 51 51 LEU CA C 13 58.374 0.300 . 1 . . . . 51 LEU CA . 11278 1 588 . 1 1 51 51 LEU CB C 13 41.995 0.300 . 1 . . . . 51 LEU CB . 11278 1 589 . 1 1 51 51 LEU CD1 C 13 25.830 0.300 . 2 . . . . 51 LEU CD1 . 11278 1 590 . 1 1 51 51 LEU CD2 C 13 22.566 0.300 . 2 . . . . 51 LEU CD2 . 11278 1 591 . 1 1 51 51 LEU CG C 13 26.595 0.300 . 1 . . . . 51 LEU CG . 11278 1 592 . 1 1 51 51 LEU N N 15 121.319 0.300 . 1 . . . . 51 LEU N . 11278 1 593 . 1 1 52 52 GLU H H 1 8.104 0.030 . 1 . . . . 52 GLU H . 11278 1 594 . 1 1 52 52 GLU HA H 1 4.279 0.030 . 1 . . . . 52 GLU HA . 11278 1 595 . 1 1 52 52 GLU HB2 H 1 1.760 0.030 . 2 . . . . 52 GLU HB2 . 11278 1 596 . 1 1 52 52 GLU HB3 H 1 2.210 0.030 . 2 . . . . 52 GLU HB3 . 11278 1 597 . 1 1 52 52 GLU HG2 H 1 2.416 0.030 . 2 . . . . 52 GLU HG2 . 11278 1 598 . 1 1 52 52 GLU HG3 H 1 2.204 0.030 . 2 . . . . 52 GLU HG3 . 11278 1 599 . 1 1 52 52 GLU C C 13 174.959 0.300 . 1 . . . . 52 GLU C . 11278 1 600 . 1 1 52 52 GLU CA C 13 55.898 0.300 . 1 . . . . 52 GLU CA . 11278 1 601 . 1 1 52 52 GLU CB C 13 29.270 0.300 . 1 . . . . 52 GLU CB . 11278 1 602 . 1 1 52 52 GLU CG C 13 36.543 0.300 . 1 . . . . 52 GLU CG . 11278 1 603 . 1 1 52 52 GLU N N 15 114.353 0.300 . 1 . . . . 52 GLU N . 11278 1 604 . 1 1 53 53 GLU H H 1 7.675 0.030 . 1 . . . . 53 GLU H . 11278 1 605 . 1 1 53 53 GLU HA H 1 3.944 0.030 . 1 . . . . 53 GLU HA . 11278 1 606 . 1 1 53 53 GLU HB2 H 1 2.157 0.030 . 2 . . . . 53 GLU HB2 . 11278 1 607 . 1 1 53 53 GLU HB3 H 1 2.159 0.030 . 2 . . . . 53 GLU HB3 . 11278 1 608 . 1 1 53 53 GLU HG2 H 1 2.226 0.030 . 1 . . . . 53 GLU HG2 . 11278 1 609 . 1 1 53 53 GLU HG3 H 1 2.226 0.030 . 1 . . . . 53 GLU HG3 . 11278 1 610 . 1 1 53 53 GLU C C 13 176.033 0.300 . 1 . . . . 53 GLU C . 11278 1 611 . 1 1 53 53 GLU CA C 13 57.304 0.300 . 1 . . . . 53 GLU CA . 11278 1 612 . 1 1 53 53 GLU CB C 13 26.486 0.300 . 1 . . . . 53 GLU CB . 11278 1 613 . 1 1 53 53 GLU CG C 13 36.109 0.300 . 1 . . . . 53 GLU CG . 11278 1 614 . 1 1 53 53 GLU N N 15 116.781 0.300 . 1 . . . . 53 GLU N . 11278 1 615 . 1 1 54 54 ARG H H 1 8.683 0.030 . 1 . . . . 54 ARG H . 11278 1 616 . 1 1 54 54 ARG HA H 1 4.689 0.030 . 1 . . . . 54 ARG HA . 11278 1 617 . 1 1 54 54 ARG HB2 H 1 1.493 0.030 . 2 . . . . 54 ARG HB2 . 11278 1 618 . 1 1 54 54 ARG HB3 H 1 1.975 0.030 . 2 . . . . 54 ARG HB3 . 11278 1 619 . 1 1 54 54 ARG HD2 H 1 3.143 0.030 . 2 . . . . 54 ARG HD2 . 11278 1 620 . 1 1 54 54 ARG HD3 H 1 3.191 0.030 . 2 . . . . 54 ARG HD3 . 11278 1 621 . 1 1 54 54 ARG HG2 H 1 1.586 0.030 . 2 . . . . 54 ARG HG2 . 11278 1 622 . 1 1 54 54 ARG HG3 H 1 1.486 0.030 . 2 . . . . 54 ARG HG3 . 11278 1 623 . 1 1 54 54 ARG C C 13 175.719 0.300 . 1 . . . . 54 ARG C . 11278 1 624 . 1 1 54 54 ARG CA C 13 54.041 0.300 . 1 . . . . 54 ARG CA . 11278 1 625 . 1 1 54 54 ARG CB C 13 31.079 0.300 . 1 . . . . 54 ARG CB . 11278 1 626 . 1 1 54 54 ARG CD C 13 43.764 0.300 . 1 . . . . 54 ARG CD . 11278 1 627 . 1 1 54 54 ARG CG C 13 27.361 0.300 . 1 . . . . 54 ARG CG . 11278 1 628 . 1 1 54 54 ARG N N 15 118.683 0.300 . 1 . . . . 54 ARG N . 11278 1 629 . 1 1 55 55 LEU H H 1 7.832 0.030 . 1 . . . . 55 LEU H . 11278 1 630 . 1 1 55 55 LEU HA H 1 4.192 0.030 . 1 . . . . 55 LEU HA . 11278 1 631 . 1 1 55 55 LEU HB2 H 1 1.351 0.030 . 2 . . . . 55 LEU HB2 . 11278 1 632 . 1 1 55 55 LEU HB3 H 1 1.738 0.030 . 2 . . . . 55 LEU HB3 . 11278 1 633 . 1 1 55 55 LEU HD11 H 1 1.012 0.030 . 1 . . . . 55 LEU HD1 . 11278 1 634 . 1 1 55 55 LEU HD12 H 1 1.012 0.030 . 1 . . . . 55 LEU HD1 . 11278 1 635 . 1 1 55 55 LEU HD13 H 1 1.012 0.030 . 1 . . . . 55 LEU HD1 . 11278 1 636 . 1 1 55 55 LEU HD21 H 1 0.985 0.030 . 1 . . . . 55 LEU HD2 . 11278 1 637 . 1 1 55 55 LEU HD22 H 1 0.985 0.030 . 1 . . . . 55 LEU HD2 . 11278 1 638 . 1 1 55 55 LEU HD23 H 1 0.985 0.030 . 1 . . . . 55 LEU HD2 . 11278 1 639 . 1 1 55 55 LEU HG H 1 1.649 0.030 . 1 . . . . 55 LEU HG . 11278 1 640 . 1 1 55 55 LEU C C 13 177.140 0.300 . 1 . . . . 55 LEU C . 11278 1 641 . 1 1 55 55 LEU CA C 13 54.885 0.300 . 1 . . . . 55 LEU CA . 11278 1 642 . 1 1 55 55 LEU CB C 13 43.598 0.300 . 1 . . . . 55 LEU CB . 11278 1 643 . 1 1 55 55 LEU CD1 C 13 26.049 0.300 . 2 . . . . 55 LEU CD1 . 11278 1 644 . 1 1 55 55 LEU CD2 C 13 23.635 0.300 . 2 . . . . 55 LEU CD2 . 11278 1 645 . 1 1 55 55 LEU CG C 13 26.705 0.300 . 1 . . . . 55 LEU CG . 11278 1 646 . 1 1 55 55 LEU N N 15 119.827 0.300 . 1 . . . . 55 LEU N . 11278 1 647 . 1 1 56 56 ALA H H 1 6.596 0.030 . 1 . . . . 56 ALA H . 11278 1 648 . 1 1 56 56 ALA HA H 1 4.468 0.030 . 1 . . . . 56 ALA HA . 11278 1 649 . 1 1 56 56 ALA HB1 H 1 1.024 0.030 . 1 . . . . 56 ALA HB . 11278 1 650 . 1 1 56 56 ALA HB2 H 1 1.024 0.030 . 1 . . . . 56 ALA HB . 11278 1 651 . 1 1 56 56 ALA HB3 H 1 1.024 0.030 . 1 . . . . 56 ALA HB . 11278 1 652 . 1 1 56 56 ALA C C 13 176.453 0.300 . 1 . . . . 56 ALA C . 11278 1 653 . 1 1 56 56 ALA CA C 13 50.713 0.300 . 1 . . . . 56 ALA CA . 11278 1 654 . 1 1 56 56 ALA CB C 13 17.953 0.300 . 1 . . . . 56 ALA CB . 11278 1 655 . 1 1 56 56 ALA N N 15 123.604 0.300 . 1 . . . . 56 ALA N . 11278 1 656 . 1 1 57 57 PRO HA H 1 4.308 0.030 . 1 . . . . 57 PRO HA . 11278 1 657 . 1 1 57 57 PRO HB2 H 1 2.363 0.030 . 2 . . . . 57 PRO HB2 . 11278 1 658 . 1 1 57 57 PRO HB3 H 1 1.954 0.030 . 2 . . . . 57 PRO HB3 . 11278 1 659 . 1 1 57 57 PRO HD2 H 1 3.795 0.030 . 2 . . . . 57 PRO HD2 . 11278 1 660 . 1 1 57 57 PRO HD3 H 1 3.886 0.030 . 2 . . . . 57 PRO HD3 . 11278 1 661 . 1 1 57 57 PRO HG2 H 1 2.073 0.030 . 2 . . . . 57 PRO HG2 . 11278 1 662 . 1 1 57 57 PRO HG3 H 1 2.164 0.030 . 2 . . . . 57 PRO HG3 . 11278 1 663 . 1 1 57 57 PRO CA C 13 65.849 0.300 . 1 . . . . 57 PRO CA . 11278 1 664 . 1 1 57 57 PRO CB C 13 31.889 0.300 . 1 . . . . 57 PRO CB . 11278 1 665 . 1 1 57 57 PRO CD C 13 50.495 0.300 . 1 . . . . 57 PRO CD . 11278 1 666 . 1 1 57 57 PRO CG C 13 27.479 0.300 . 1 . . . . 57 PRO CG . 11278 1 667 . 1 1 58 58 THR H H 1 7.689 0.030 . 1 . . . . 58 THR H . 11278 1 668 . 1 1 58 58 THR HA H 1 3.948 0.030 . 1 . . . . 58 THR HA . 11278 1 669 . 1 1 58 58 THR HB H 1 3.977 0.030 . 1 . . . . 58 THR HB . 11278 1 670 . 1 1 58 58 THR HG21 H 1 1.178 0.030 . 1 . . . . 58 THR HG2 . 11278 1 671 . 1 1 58 58 THR HG22 H 1 1.178 0.030 . 1 . . . . 58 THR HG2 . 11278 1 672 . 1 1 58 58 THR HG23 H 1 1.178 0.030 . 1 . . . . 58 THR HG2 . 11278 1 673 . 1 1 58 58 THR C C 13 175.961 0.300 . 1 . . . . 58 THR C . 11278 1 674 . 1 1 58 58 THR CA C 13 64.601 0.300 . 1 . . . . 58 THR CA . 11278 1 675 . 1 1 58 58 THR CB C 13 68.425 0.300 . 1 . . . . 58 THR CB . 11278 1 676 . 1 1 58 58 THR CG2 C 13 22.331 0.300 . 1 . . . . 58 THR CG2 . 11278 1 677 . 1 1 59 59 LEU H H 1 7.054 0.030 . 1 . . . . 59 LEU H . 11278 1 678 . 1 1 59 59 LEU HA H 1 4.279 0.030 . 1 . . . . 59 LEU HA . 11278 1 679 . 1 1 59 59 LEU HB2 H 1 1.394 0.030 . 2 . . . . 59 LEU HB2 . 11278 1 680 . 1 1 59 59 LEU HB3 H 1 1.793 0.030 . 2 . . . . 59 LEU HB3 . 11278 1 681 . 1 1 59 59 LEU HD11 H 1 0.678 0.030 . 1 . . . . 59 LEU HD1 . 11278 1 682 . 1 1 59 59 LEU HD12 H 1 0.678 0.030 . 1 . . . . 59 LEU HD1 . 11278 1 683 . 1 1 59 59 LEU HD13 H 1 0.678 0.030 . 1 . . . . 59 LEU HD1 . 11278 1 684 . 1 1 59 59 LEU HD21 H 1 0.540 0.030 . 1 . . . . 59 LEU HD2 . 11278 1 685 . 1 1 59 59 LEU HD22 H 1 0.540 0.030 . 1 . . . . 59 LEU HD2 . 11278 1 686 . 1 1 59 59 LEU HD23 H 1 0.540 0.030 . 1 . . . . 59 LEU HD2 . 11278 1 687 . 1 1 59 59 LEU HG H 1 0.985 0.030 . 1 . . . . 59 LEU HG . 11278 1 688 . 1 1 59 59 LEU C C 13 178.999 0.300 . 1 . . . . 59 LEU C . 11278 1 689 . 1 1 59 59 LEU CA C 13 55.548 0.300 . 1 . . . . 59 LEU CA . 11278 1 690 . 1 1 59 59 LEU CB C 13 43.024 0.300 . 1 . . . . 59 LEU CB . 11278 1 691 . 1 1 59 59 LEU CD1 C 13 27.514 0.300 . 2 . . . . 59 LEU CD1 . 11278 1 692 . 1 1 59 59 LEU CD2 C 13 21.661 0.300 . 2 . . . . 59 LEU CD2 . 11278 1 693 . 1 1 59 59 LEU CG C 13 26.825 0.300 . 1 . . . . 59 LEU CG . 11278 1 694 . 1 1 59 59 LEU N N 15 119.290 0.300 . 1 . . . . 59 LEU N . 11278 1 695 . 1 1 60 60 SER H H 1 8.101 0.030 . 1 . . . . 60 SER H . 11278 1 696 . 1 1 60 60 SER HA H 1 4.091 0.030 . 1 . . . . 60 SER HA . 11278 1 697 . 1 1 60 60 SER HB2 H 1 3.943 0.030 . 2 . . . . 60 SER HB2 . 11278 1 698 . 1 1 60 60 SER HB3 H 1 3.783 0.030 . 2 . . . . 60 SER HB3 . 11278 1 699 . 1 1 60 60 SER C C 13 175.549 0.300 . 1 . . . . 60 SER C . 11278 1 700 . 1 1 60 60 SER CA C 13 61.045 0.300 . 1 . . . . 60 SER CA . 11278 1 701 . 1 1 60 60 SER CB C 13 62.893 0.300 . 1 . . . . 60 SER CB . 11278 1 702 . 1 1 60 60 SER N N 15 113.700 0.300 . 1 . . . . 60 SER N . 11278 1 703 . 1 1 61 61 GLN H H 1 7.406 0.030 . 1 . . . . 61 GLN H . 11278 1 704 . 1 1 61 61 GLN HA H 1 4.363 0.030 . 1 . . . . 61 GLN HA . 11278 1 705 . 1 1 61 61 GLN HB2 H 1 1.956 0.030 . 2 . . . . 61 GLN HB2 . 11278 1 706 . 1 1 61 61 GLN HB3 H 1 2.209 0.030 . 2 . . . . 61 GLN HB3 . 11278 1 707 . 1 1 61 61 GLN HE21 H 1 6.796 0.030 . 2 . . . . 61 GLN HE21 . 11278 1 708 . 1 1 61 61 GLN HE22 H 1 7.372 0.030 . 2 . . . . 61 GLN HE22 . 11278 1 709 . 1 1 61 61 GLN HG2 H 1 2.361 0.030 . 1 . . . . 61 GLN HG2 . 11278 1 710 . 1 1 61 61 GLN HG3 H 1 2.361 0.030 . 1 . . . . 61 GLN HG3 . 11278 1 711 . 1 1 61 61 GLN C C 13 176.034 0.300 . 1 . . . . 61 GLN C . 11278 1 712 . 1 1 61 61 GLN CA C 13 55.510 0.300 . 1 . . . . 61 GLN CA . 11278 1 713 . 1 1 61 61 GLN CB C 13 29.102 0.300 . 1 . . . . 61 GLN CB . 11278 1 714 . 1 1 61 61 GLN CG C 13 33.748 0.300 . 1 . . . . 61 GLN CG . 11278 1 715 . 1 1 61 61 GLN N N 15 116.415 0.300 . 1 . . . . 61 GLN N . 11278 1 716 . 1 1 61 61 GLN NE2 N 15 111.774 0.300 . 1 . . . . 61 GLN NE2 . 11278 1 717 . 1 1 62 62 LEU H H 1 7.264 0.030 . 1 . . . . 62 LEU H . 11278 1 718 . 1 1 62 62 LEU HA H 1 4.269 0.030 . 1 . . . . 62 LEU HA . 11278 1 719 . 1 1 62 62 LEU HB2 H 1 1.588 0.030 . 2 . . . . 62 LEU HB2 . 11278 1 720 . 1 1 62 62 LEU HB3 H 1 2.098 0.030 . 2 . . . . 62 LEU HB3 . 11278 1 721 . 1 1 62 62 LEU HD11 H 1 0.946 0.030 . 1 . . . . 62 LEU HD1 . 11278 1 722 . 1 1 62 62 LEU HD12 H 1 0.946 0.030 . 1 . . . . 62 LEU HD1 . 11278 1 723 . 1 1 62 62 LEU HD13 H 1 0.946 0.030 . 1 . . . . 62 LEU HD1 . 11278 1 724 . 1 1 62 62 LEU HD21 H 1 0.878 0.030 . 1 . . . . 62 LEU HD2 . 11278 1 725 . 1 1 62 62 LEU HD22 H 1 0.878 0.030 . 1 . . . . 62 LEU HD2 . 11278 1 726 . 1 1 62 62 LEU HD23 H 1 0.878 0.030 . 1 . . . . 62 LEU HD2 . 11278 1 727 . 1 1 62 62 LEU HG H 1 1.977 0.030 . 1 . . . . 62 LEU HG . 11278 1 728 . 1 1 62 62 LEU C C 13 176.501 0.300 . 1 . . . . 62 LEU C . 11278 1 729 . 1 1 62 62 LEU CA C 13 54.594 0.300 . 1 . . . . 62 LEU CA . 11278 1 730 . 1 1 62 62 LEU CB C 13 43.024 0.300 . 1 . . . . 62 LEU CB . 11278 1 731 . 1 1 62 62 LEU CD1 C 13 25.979 0.300 . 2 . . . . 62 LEU CD1 . 11278 1 732 . 1 1 62 62 LEU CD2 C 13 22.730 0.300 . 2 . . . . 62 LEU CD2 . 11278 1 733 . 1 1 62 62 LEU CG C 13 26.486 0.300 . 1 . . . . 62 LEU CG . 11278 1 734 . 1 1 62 62 LEU N N 15 120.645 0.300 . 1 . . . . 62 LEU N . 11278 1 735 . 1 1 63 63 ASP H H 1 8.262 0.030 . 1 . . . . 63 ASP H . 11278 1 736 . 1 1 63 63 ASP HA H 1 4.300 0.030 . 1 . . . . 63 ASP HA . 11278 1 737 . 1 1 63 63 ASP HB2 H 1 2.601 0.030 . 2 . . . . 63 ASP HB2 . 11278 1 738 . 1 1 63 63 ASP HB3 H 1 2.711 0.030 . 2 . . . . 63 ASP HB3 . 11278 1 739 . 1 1 63 63 ASP C C 13 177.022 0.300 . 1 . . . . 63 ASP C . 11278 1 740 . 1 1 63 63 ASP CA C 13 54.290 0.300 . 1 . . . . 63 ASP CA . 11278 1 741 . 1 1 63 63 ASP CB C 13 41.393 0.300 . 1 . . . . 63 ASP CB . 11278 1 742 . 1 1 63 63 ASP N N 15 121.872 0.300 . 1 . . . . 63 ASP N . 11278 1 743 . 1 1 64 64 ARG H H 1 8.344 0.030 . 1 . . . . 64 ARG H . 11278 1 744 . 1 1 64 64 ARG HA H 1 3.041 0.030 . 1 . . . . 64 ARG HA . 11278 1 745 . 1 1 64 64 ARG HB2 H 1 1.383 0.030 . 1 . . . . 64 ARG HB2 . 11278 1 746 . 1 1 64 64 ARG HB3 H 1 1.383 0.030 . 1 . . . . 64 ARG HB3 . 11278 1 747 . 1 1 64 64 ARG HD2 H 1 2.239 0.030 . 2 . . . . 64 ARG HD2 . 11278 1 748 . 1 1 64 64 ARG HD3 H 1 2.527 0.030 . 2 . . . . 64 ARG HD3 . 11278 1 749 . 1 1 64 64 ARG HE H 1 7.200 0.030 . 1 . . . . 64 ARG HE . 11278 1 750 . 1 1 64 64 ARG HG2 H 1 1.274 0.030 . 2 . . . . 64 ARG HG2 . 11278 1 751 . 1 1 64 64 ARG HG3 H 1 0.639 0.030 . 2 . . . . 64 ARG HG3 . 11278 1 752 . 1 1 64 64 ARG C C 13 176.056 0.300 . 1 . . . . 64 ARG C . 11278 1 753 . 1 1 64 64 ARG CA C 13 57.217 0.300 . 1 . . . . 64 ARG CA . 11278 1 754 . 1 1 64 64 ARG CB C 13 29.263 0.300 . 1 . . . . 64 ARG CB . 11278 1 755 . 1 1 64 64 ARG CD C 13 42.956 0.300 . 1 . . . . 64 ARG CD . 11278 1 756 . 1 1 64 64 ARG CG C 13 27.381 0.300 . 1 . . . . 64 ARG CG . 11278 1 757 . 1 1 64 64 ARG N N 15 124.907 0.300 . 1 . . . . 64 ARG N . 11278 1 758 . 1 1 64 64 ARG NE N 15 84.756 0.300 . 1 . . . . 64 ARG NE . 11278 1 759 . 1 1 65 65 ASN H H 1 8.433 0.030 . 1 . . . . 65 ASN H . 11278 1 760 . 1 1 65 65 ASN HA H 1 4.632 0.030 . 1 . . . . 65 ASN HA . 11278 1 761 . 1 1 65 65 ASN HB2 H 1 2.704 0.030 . 2 . . . . 65 ASN HB2 . 11278 1 762 . 1 1 65 65 ASN HB3 H 1 2.861 0.030 . 2 . . . . 65 ASN HB3 . 11278 1 763 . 1 1 65 65 ASN HD21 H 1 6.822 0.030 . 2 . . . . 65 ASN HD21 . 11278 1 764 . 1 1 65 65 ASN HD22 H 1 7.663 0.030 . 2 . . . . 65 ASN HD22 . 11278 1 765 . 1 1 65 65 ASN C C 13 175.330 0.300 . 1 . . . . 65 ASN C . 11278 1 766 . 1 1 65 65 ASN CA C 13 52.553 0.300 . 1 . . . . 65 ASN CA . 11278 1 767 . 1 1 65 65 ASN CB C 13 39.107 0.300 . 1 . . . . 65 ASN CB . 11278 1 768 . 1 1 65 65 ASN N N 15 113.711 0.300 . 1 . . . . 65 ASN N . 11278 1 769 . 1 1 65 65 ASN ND2 N 15 112.937 0.300 . 1 . . . . 65 ASN ND2 . 11278 1 770 . 1 1 66 66 LEU H H 1 7.212 0.030 . 1 . . . . 66 LEU H . 11278 1 771 . 1 1 66 66 LEU HA H 1 4.070 0.030 . 1 . . . . 66 LEU HA . 11278 1 772 . 1 1 66 66 LEU HB2 H 1 1.708 0.030 . 2 . . . . 66 LEU HB2 . 11278 1 773 . 1 1 66 66 LEU HB3 H 1 1.892 0.030 . 2 . . . . 66 LEU HB3 . 11278 1 774 . 1 1 66 66 LEU HD11 H 1 0.888 0.030 . 1 . . . . 66 LEU HD1 . 11278 1 775 . 1 1 66 66 LEU HD12 H 1 0.888 0.030 . 1 . . . . 66 LEU HD1 . 11278 1 776 . 1 1 66 66 LEU HD13 H 1 0.888 0.030 . 1 . . . . 66 LEU HD1 . 11278 1 777 . 1 1 66 66 LEU HD21 H 1 1.068 0.030 . 1 . . . . 66 LEU HD2 . 11278 1 778 . 1 1 66 66 LEU HD22 H 1 1.068 0.030 . 1 . . . . 66 LEU HD2 . 11278 1 779 . 1 1 66 66 LEU HD23 H 1 1.068 0.030 . 1 . . . . 66 LEU HD2 . 11278 1 780 . 1 1 66 66 LEU HG H 1 1.896 0.030 . 1 . . . . 66 LEU HG . 11278 1 781 . 1 1 66 66 LEU C C 13 176.844 0.300 . 1 . . . . 66 LEU C . 11278 1 782 . 1 1 66 66 LEU CA C 13 56.953 0.300 . 1 . . . . 66 LEU CA . 11278 1 783 . 1 1 66 66 LEU CB C 13 43.729 0.300 . 1 . . . . 66 LEU CB . 11278 1 784 . 1 1 66 66 LEU CD1 C 13 25.393 0.300 . 2 . . . . 66 LEU CD1 . 11278 1 785 . 1 1 66 66 LEU CD2 C 13 24.292 0.300 . 2 . . . . 66 LEU CD2 . 11278 1 786 . 1 1 66 66 LEU CG C 13 26.268 0.300 . 1 . . . . 66 LEU CG . 11278 1 787 . 1 1 66 66 LEU N N 15 121.901 0.300 . 1 . . . . 66 LEU N . 11278 1 788 . 1 1 67 67 ASP H H 1 8.667 0.030 . 1 . . . . 67 ASP H . 11278 1 789 . 1 1 67 67 ASP HA H 1 4.844 0.030 . 1 . . . . 67 ASP HA . 11278 1 790 . 1 1 67 67 ASP HB2 H 1 2.724 0.030 . 2 . . . . 67 ASP HB2 . 11278 1 791 . 1 1 67 67 ASP HB3 H 1 2.817 0.030 . 2 . . . . 67 ASP HB3 . 11278 1 792 . 1 1 67 67 ASP C C 13 176.265 0.300 . 1 . . . . 67 ASP C . 11278 1 793 . 1 1 67 67 ASP CA C 13 53.475 0.300 . 1 . . . . 67 ASP CA . 11278 1 794 . 1 1 67 67 ASP CB C 13 42.243 0.300 . 1 . . . . 67 ASP CB . 11278 1 795 . 1 1 67 67 ASP N N 15 126.863 0.300 . 1 . . . . 67 ASP N . 11278 1 796 . 1 1 68 68 ARG H H 1 8.757 0.030 . 1 . . . . 68 ARG H . 11278 1 797 . 1 1 68 68 ARG HA H 1 4.246 0.030 . 1 . . . . 68 ARG HA . 11278 1 798 . 1 1 68 68 ARG HB2 H 1 1.646 0.030 . 2 . . . . 68 ARG HB2 . 11278 1 799 . 1 1 68 68 ARG HB3 H 1 1.806 0.030 . 2 . . . . 68 ARG HB3 . 11278 1 800 . 1 1 68 68 ARG HD2 H 1 3.082 0.030 . 2 . . . . 68 ARG HD2 . 11278 1 801 . 1 1 68 68 ARG HD3 H 1 3.125 0.030 . 2 . . . . 68 ARG HD3 . 11278 1 802 . 1 1 68 68 ARG HE H 1 7.277 0.030 . 1 . . . . 68 ARG HE . 11278 1 803 . 1 1 68 68 ARG HG2 H 1 1.577 0.030 . 1 . . . . 68 ARG HG2 . 11278 1 804 . 1 1 68 68 ARG HG3 H 1 1.577 0.030 . 1 . . . . 68 ARG HG3 . 11278 1 805 . 1 1 68 68 ARG C C 13 175.772 0.300 . 1 . . . . 68 ARG C . 11278 1 806 . 1 1 68 68 ARG CA C 13 56.331 0.300 . 1 . . . . 68 ARG CA . 11278 1 807 . 1 1 68 68 ARG CB C 13 31.832 0.300 . 1 . . . . 68 ARG CB . 11278 1 808 . 1 1 68 68 ARG CD C 13 43.982 0.300 . 1 . . . . 68 ARG CD . 11278 1 809 . 1 1 68 68 ARG CG C 13 27.088 0.300 . 1 . . . . 68 ARG CG . 11278 1 810 . 1 1 68 68 ARG N N 15 119.481 0.300 . 1 . . . . 68 ARG N . 11278 1 811 . 1 1 68 68 ARG NE N 15 82.915 0.300 . 1 . . . . 68 ARG NE . 11278 1 812 . 1 1 69 69 GLU H H 1 8.553 0.030 . 1 . . . . 69 GLU H . 11278 1 813 . 1 1 69 69 GLU HA H 1 4.243 0.030 . 1 . . . . 69 GLU HA . 11278 1 814 . 1 1 69 69 GLU HB2 H 1 1.934 0.030 . 2 . . . . 69 GLU HB2 . 11278 1 815 . 1 1 69 69 GLU HB3 H 1 2.028 0.030 . 2 . . . . 69 GLU HB3 . 11278 1 816 . 1 1 69 69 GLU HG2 H 1 2.199 0.030 . 2 . . . . 69 GLU HG2 . 11278 1 817 . 1 1 69 69 GLU HG3 H 1 2.281 0.030 . 2 . . . . 69 GLU HG3 . 11278 1 818 . 1 1 69 69 GLU C C 13 176.238 0.300 . 1 . . . . 69 GLU C . 11278 1 819 . 1 1 69 69 GLU CA C 13 56.481 0.300 . 1 . . . . 69 GLU CA . 11278 1 820 . 1 1 69 69 GLU CB C 13 30.150 0.300 . 1 . . . . 69 GLU CB . 11278 1 821 . 1 1 69 69 GLU CG C 13 36.328 0.300 . 1 . . . . 69 GLU CG . 11278 1 822 . 1 1 69 69 GLU N N 15 123.117 0.300 . 1 . . . . 69 GLU N . 11278 1 823 . 1 1 70 70 MET H H 1 8.524 0.030 . 1 . . . . 70 MET H . 11278 1 824 . 1 1 70 70 MET HA H 1 4.491 0.030 . 1 . . . . 70 MET HA . 11278 1 825 . 1 1 70 70 MET HB2 H 1 1.994 0.030 . 2 . . . . 70 MET HB2 . 11278 1 826 . 1 1 70 70 MET HB3 H 1 2.110 0.030 . 2 . . . . 70 MET HB3 . 11278 1 827 . 1 1 70 70 MET HE1 H 1 2.084 0.030 . 1 . . . . 70 MET HE . 11278 1 828 . 1 1 70 70 MET HE2 H 1 2.084 0.030 . 1 . . . . 70 MET HE . 11278 1 829 . 1 1 70 70 MET HE3 H 1 2.084 0.030 . 1 . . . . 70 MET HE . 11278 1 830 . 1 1 70 70 MET HG2 H 1 2.611 0.030 . 2 . . . . 70 MET HG2 . 11278 1 831 . 1 1 70 70 MET HG3 H 1 2.492 0.030 . 2 . . . . 70 MET HG3 . 11278 1 832 . 1 1 70 70 MET C C 13 175.123 0.300 . 1 . . . . 70 MET C . 11278 1 833 . 1 1 70 70 MET CA C 13 55.207 0.300 . 1 . . . . 70 MET CA . 11278 1 834 . 1 1 70 70 MET CB C 13 32.378 0.300 . 1 . . . . 70 MET CB . 11278 1 835 . 1 1 70 70 MET CE C 13 16.984 0.300 . 1 . . . . 70 MET CE . 11278 1 836 . 1 1 70 70 MET CG C 13 32.038 0.300 . 1 . . . . 70 MET CG . 11278 1 837 . 1 1 70 70 MET N N 15 122.418 0.300 . 1 . . . . 70 MET N . 11278 1 838 . 1 1 71 71 ASN H H 1 8.115 0.030 . 1 . . . . 71 ASN H . 11278 1 839 . 1 1 71 71 ASN HA H 1 4.512 0.030 . 1 . . . . 71 ASN HA . 11278 1 840 . 1 1 71 71 ASN HB2 H 1 2.681 0.030 . 2 . . . . 71 ASN HB2 . 11278 1 841 . 1 1 71 71 ASN HB3 H 1 2.766 0.030 . 2 . . . . 71 ASN HB3 . 11278 1 842 . 1 1 71 71 ASN HD21 H 1 6.843 0.030 . 2 . . . . 71 ASN HD21 . 11278 1 843 . 1 1 71 71 ASN HD22 H 1 7.549 0.030 . 2 . . . . 71 ASN HD22 . 11278 1 844 . 1 1 71 71 ASN C C 13 179.554 0.300 . 1 . . . . 71 ASN C . 11278 1 845 . 1 1 71 71 ASN CA C 13 54.886 0.300 . 1 . . . . 71 ASN CA . 11278 1 846 . 1 1 71 71 ASN CB C 13 40.563 0.300 . 1 . . . . 71 ASN CB . 11278 1 847 . 1 1 71 71 ASN N N 15 125.375 0.300 . 1 . . . . 71 ASN N . 11278 1 848 . 1 1 71 71 ASN ND2 N 15 113.236 0.300 . 1 . . . . 71 ASN ND2 . 11278 1 stop_ save_