data_15677 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15677 _Entry.Title ; Solubilization of transmembrane proteins in water: structural studies of a water-soluble analogue of the potassium channel KcsA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-29 _Entry.Accession_date 2008-02-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'water soluble analogue of potassium channel, KcsA' _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 Dejian Ma . . . 15677 2 Yan Xu . . . 15677 3 Tommy Tillman . . . 15677 4 Pei Tang . . . 15677 5 Eva Meirovitch . . . 15677 6 Roderic Eckenhoff . . . 15677 7 Anna Carnini . . . 15677 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 1 'not applicable' 'not applicable' . 15677 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID homotetramer . 15677 protein . 15677 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15677 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 15677 '15N chemical shifts' 113 15677 '1H chemical shifts' 744 15677 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 3 . . 2010-06-02 2008-02-29 update BMRB 'edit assembly name' 15677 2 . . 2010-04-15 2008-02-29 update BMRB 'add related PDB ID' 15677 1 . . 2008-11-10 2008-02-29 original author 'original release' 15677 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K1E 'BMRB Entry Tracking System' 15677 PDB 2KB1 'BMRB Entry Tracking System' 15677 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15677 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18948596 _Citation.Full_citation . _Citation.Title 'NMR studies of a channel protein without membranes: structure and dynamics of water-solubilized KcsA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 43 _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 16537 _Citation.Page_last 16542 _Citation.Year 2008 _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 Dejian Ma . . . 15677 1 2 Tommy Tillman . S. . 15677 1 3 Pei Tang . . . 15677 1 4 Eva Meirovitch . . . 15677 1 5 Roderic Eckenhoff . . . 15677 1 6 Anna Carnini . . . 15677 1 7 Yan Xu . . . 15677 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15677 _Assembly.ID 1 _Assembly.Name 'water-soluble analogue of KcsA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 entity_1 1 $WSK3 A . yes native no no . . . 15677 1 2 entity_2 1 $WSK3 B . yes native no no . . . 15677 1 3 entity_3 1 $WSK3 C . yes native no no . . . 15677 1 4 entity_4 1 $WSK3 D . yes native no no . . . 15677 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WSK3 _Entity.Sf_category entity _Entity.Sf_framecode WSK3 _Entity.Entry_ID 15677 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WSK3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SADHEREAQKAEEELQKVLE EASKKAVEAERGAPGAALIS YPDAIWWSVETATTVGYGDR YPVTEEGRKVAEQVMKAGIE VFALVTAALATDFVRREEER RGH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the water-soluble analogue of transmembrane domain of potassium channel KcsA' _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11404.746 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2K1E . "Nmr Studies Of A Channel Protein Without Membranes: Structure And Dynamics Of Water-Solubilized Kcsa" . . . . . 100.00 103 100.00 100.00 9.25e-65 . . . . 15677 1 2 no PDB 2KB1 . "Nmr Studies Of A Channel Protein Without Membrane: Structure And Dynamics Of Water-Solubilized Kcsa" . . . . . 100.00 103 100.00 100.00 9.25e-65 . . . . 15677 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 . SER . 15677 1 2 . ALA . 15677 1 3 . ASP . 15677 1 4 . HIS . 15677 1 5 . GLU . 15677 1 6 . ARG . 15677 1 7 . GLU . 15677 1 8 . ALA . 15677 1 9 . GLN . 15677 1 10 . LYS . 15677 1 11 . ALA . 15677 1 12 . GLU . 15677 1 13 . GLU . 15677 1 14 . GLU . 15677 1 15 . LEU . 15677 1 16 . GLN . 15677 1 17 . LYS . 15677 1 18 . VAL . 15677 1 19 . LEU . 15677 1 20 . GLU . 15677 1 21 . GLU . 15677 1 22 . ALA . 15677 1 23 . SER . 15677 1 24 . LYS . 15677 1 25 . LYS . 15677 1 26 . ALA . 15677 1 27 . VAL . 15677 1 28 . GLU . 15677 1 29 . ALA . 15677 1 30 . GLU . 15677 1 31 . ARG . 15677 1 32 . GLY . 15677 1 33 . ALA . 15677 1 34 . PRO . 15677 1 35 . GLY . 15677 1 36 . ALA . 15677 1 37 . ALA . 15677 1 38 . LEU . 15677 1 39 . ILE . 15677 1 40 . SER . 15677 1 41 . TYR . 15677 1 42 . PRO . 15677 1 43 . ASP . 15677 1 44 . ALA . 15677 1 45 . ILE . 15677 1 46 . TRP . 15677 1 47 . TRP . 15677 1 48 . SER . 15677 1 49 . VAL . 15677 1 50 . GLU . 15677 1 51 . THR . 15677 1 52 . ALA . 15677 1 53 . THR . 15677 1 54 . THR . 15677 1 55 . VAL . 15677 1 56 . GLY . 15677 1 57 . TYR . 15677 1 58 . GLY . 15677 1 59 . ASP . 15677 1 60 . ARG . 15677 1 61 . TYR . 15677 1 62 . PRO . 15677 1 63 . VAL . 15677 1 64 . THR . 15677 1 65 . GLU . 15677 1 66 . GLU . 15677 1 67 . GLY . 15677 1 68 . ARG . 15677 1 69 . LYS . 15677 1 70 . VAL . 15677 1 71 . ALA . 15677 1 72 . GLU . 15677 1 73 . GLN . 15677 1 74 . VAL . 15677 1 75 . MET . 15677 1 76 . LYS . 15677 1 77 . ALA . 15677 1 78 . GLY . 15677 1 79 . ILE . 15677 1 80 . GLU . 15677 1 81 . VAL . 15677 1 82 . PHE . 15677 1 83 . ALA . 15677 1 84 . LEU . 15677 1 85 . VAL . 15677 1 86 . THR . 15677 1 87 . ALA . 15677 1 88 . ALA . 15677 1 89 . LEU . 15677 1 90 . ALA . 15677 1 91 . THR . 15677 1 92 . ASP . 15677 1 93 . PHE . 15677 1 94 . VAL . 15677 1 95 . ARG . 15677 1 96 . ARG . 15677 1 97 . GLU . 15677 1 98 . GLU . 15677 1 99 . GLU . 15677 1 100 . ARG . 15677 1 101 . ARG . 15677 1 102 . GLY . 15677 1 103 . HIS . 15677 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 15677 1 . ALA 2 2 15677 1 . ASP 3 3 15677 1 . HIS 4 4 15677 1 . GLU 5 5 15677 1 . ARG 6 6 15677 1 . GLU 7 7 15677 1 . ALA 8 8 15677 1 . GLN 9 9 15677 1 . LYS 10 10 15677 1 . ALA 11 11 15677 1 . GLU 12 12 15677 1 . GLU 13 13 15677 1 . GLU 14 14 15677 1 . LEU 15 15 15677 1 . GLN 16 16 15677 1 . LYS 17 17 15677 1 . VAL 18 18 15677 1 . LEU 19 19 15677 1 . GLU 20 20 15677 1 . GLU 21 21 15677 1 . ALA 22 22 15677 1 . SER 23 23 15677 1 . LYS 24 24 15677 1 . LYS 25 25 15677 1 . ALA 26 26 15677 1 . VAL 27 27 15677 1 . GLU 28 28 15677 1 . ALA 29 29 15677 1 . GLU 30 30 15677 1 . ARG 31 31 15677 1 . GLY 32 32 15677 1 . ALA 33 33 15677 1 . PRO 34 34 15677 1 . GLY 35 35 15677 1 . ALA 36 36 15677 1 . ALA 37 37 15677 1 . LEU 38 38 15677 1 . ILE 39 39 15677 1 . SER 40 40 15677 1 . TYR 41 41 15677 1 . PRO 42 42 15677 1 . ASP 43 43 15677 1 . ALA 44 44 15677 1 . ILE 45 45 15677 1 . TRP 46 46 15677 1 . TRP 47 47 15677 1 . SER 48 48 15677 1 . VAL 49 49 15677 1 . GLU 50 50 15677 1 . THR 51 51 15677 1 . ALA 52 52 15677 1 . THR 53 53 15677 1 . THR 54 54 15677 1 . VAL 55 55 15677 1 . GLY 56 56 15677 1 . TYR 57 57 15677 1 . GLY 58 58 15677 1 . ASP 59 59 15677 1 . ARG 60 60 15677 1 . TYR 61 61 15677 1 . PRO 62 62 15677 1 . VAL 63 63 15677 1 . THR 64 64 15677 1 . GLU 65 65 15677 1 . GLU 66 66 15677 1 . GLY 67 67 15677 1 . ARG 68 68 15677 1 . LYS 69 69 15677 1 . VAL 70 70 15677 1 . ALA 71 71 15677 1 . GLU 72 72 15677 1 . GLN 73 73 15677 1 . VAL 74 74 15677 1 . MET 75 75 15677 1 . LYS 76 76 15677 1 . ALA 77 77 15677 1 . GLY 78 78 15677 1 . ILE 79 79 15677 1 . GLU 80 80 15677 1 . VAL 81 81 15677 1 . PHE 82 82 15677 1 . ALA 83 83 15677 1 . LEU 84 84 15677 1 . VAL 85 85 15677 1 . THR 86 86 15677 1 . ALA 87 87 15677 1 . ALA 88 88 15677 1 . LEU 89 89 15677 1 . ALA 90 90 15677 1 . THR 91 91 15677 1 . ASP 92 92 15677 1 . PHE 93 93 15677 1 . VAL 94 94 15677 1 . ARG 95 95 15677 1 . ARG 96 96 15677 1 . GLU 97 97 15677 1 . GLU 98 98 15677 1 . GLU 99 99 15677 1 . ARG 100 100 15677 1 . ARG 101 101 15677 1 . GLY 102 102 15677 1 . HIS 103 103 15677 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 15677 _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 $WSK3 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . 'no natural source, designed variant of KcsA' . . 15677 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 15677 _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 $WSK3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta(DE3)pLysS . . . . . . . . . . . . . . . pET-24a . . . 'designed variant of KcsA' . . 15677 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_wsk3_15N _Sample.Sf_category sample _Sample.Sf_framecode wsk3_15N _Sample.Entry_ID 15677 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM relative to monomer concentration and 0.3 ml aqueous solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WSK3_15N [U-15N] . . 1 $WSK3 . . 0.2 . . mM . . . . 15677 1 2 D2O [U-2H] . . . . . . 55 . . M . . . . 15677 1 3 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15677 1 stop_ save_ save_wsk3_13C15N _Sample.Sf_category sample _Sample.Sf_framecode wsk3_13C15N _Sample.Entry_ID 15677 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM relative to monomer concentration and 0.3 ml aqueous solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 wsk3 '[U-13C; U-15N]' . . 1 $WSK3 . . 0.2 . . mM . . . . 15677 2 2 D2O [U-2H] . . . . . . 55 . . M . . . . 15677 2 3 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15677 2 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 15677 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15677 1 pH 4.5 . pH 15677 1 pressure 1 . atm 15677 1 temperature 293 . K 15677 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15677 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'program package for NMR structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15677 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15677 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15677 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.15.0 _Software.Details 'NMR structure calculation based on X-PLOR 3.851 by A.T. Brunger' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15677 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15677 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15677 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15677 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15677 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15677 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15677 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15677 4 'data analysis' 15677 4 'peak picking' 15677 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15677 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15677 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15677 5 'peak picking' 15677 5 processing 15677 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 15677 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15677 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15677 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15677 _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 . 800 . . . 15677 1 2 spectrometer_2 Bruker Avance . 700 . . . 15677 1 3 spectrometer_3 Bruker Avance . 600 . . . 15677 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 15677 _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 . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15677 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 3 '3D HNCO' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 4 '3D HNCA' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 5 '3D HNCACB' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 7 'T1, T2, hetNOE' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15677 1 8 'R2 dispersion' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15677 1 9 'diffusion measurement' no . . . . . . . . . . 2 $wsk3_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15677 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 15677 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 . indirect 0.251449530 . . . . . . . . . 15677 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15677 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15677 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 15677 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15677 1 2 '3D CBCA(CO)NH' . . . 15677 1 3 '3D HNCO' . . . 15677 1 6 '3D HCCH-TOCSY' . . . 15677 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 1 1 SER H H 1 8.399 0.010 . 1 . . . . 1 SER H . 15677 1 2 . 1 1 1 1 SER HA H 1 4.094 0.010 . 1 . . . . 1 SER HA . 15677 1 3 . 1 1 1 1 SER HB2 H 1 3.953 0.003 . 2 . . . . 1 SER QB . 15677 1 4 . 1 1 1 1 SER HB3 H 1 3.953 0.003 . 2 . . . . 1 SER QB . 15677 1 5 . 1 1 1 1 SER C C 13 170.732 0.100 . 1 . . . . 1 SER C . 15677 1 6 . 1 1 1 1 SER CA C 13 59.193 0.100 . 1 . . . . 1 SER CA . 15677 1 7 . 1 1 1 1 SER CB C 13 62.908 0.100 . 1 . . . . 1 SER CB . 15677 1 8 . 1 1 1 1 SER N N 15 117.162 0.100 . 1 . . . . 1 SER N . 15677 1 9 . 1 1 2 2 ALA H H 1 8.742 0.009 . 1 . . . . 2 ALA H . 15677 1 10 . 1 1 2 2 ALA HA H 1 4.302 0.004 . 1 . . . . 2 ALA HA . 15677 1 11 . 1 1 2 2 ALA HB1 H 1 1.297 0.001 . 1 . . . . 2 ALA QB . 15677 1 12 . 1 1 2 2 ALA HB2 H 1 1.297 0.001 . 1 . . . . 2 ALA QB . 15677 1 13 . 1 1 2 2 ALA HB3 H 1 1.297 0.001 . 1 . . . . 2 ALA QB . 15677 1 14 . 1 1 2 2 ALA C C 13 177.216 0.100 . 1 . . . . 2 ALA C . 15677 1 15 . 1 1 2 2 ALA CA C 13 52.876 0.058 . 1 . . . . 2 ALA CA . 15677 1 16 . 1 1 2 2 ALA CB C 13 19.182 0.100 . 1 . . . . 2 ALA CB . 15677 1 17 . 1 1 2 2 ALA N N 15 124.657 0.023 . 1 . . . . 2 ALA N . 15677 1 18 . 1 1 3 3 ASP H H 1 8.432 0.002 . 1 . . . . 3 ASP H . 15677 1 19 . 1 1 3 3 ASP HA H 1 4.530 0.010 . 1 . . . . 3 ASP HA . 15677 1 20 . 1 1 3 3 ASP HB2 H 1 2.713 0.001 . 2 . . . . 3 ASP QB . 15677 1 21 . 1 1 3 3 ASP HB3 H 1 2.713 0.001 . 2 . . . . 3 ASP QB . 15677 1 22 . 1 1 3 3 ASP C C 13 176.023 0.100 . 1 . . . . 3 ASP C . 15677 1 23 . 1 1 3 3 ASP CA C 13 53.721 0.148 . 1 . . . . 3 ASP CA . 15677 1 24 . 1 1 3 3 ASP CB C 13 38.752 0.100 . 1 . . . . 3 ASP CB . 15677 1 25 . 1 1 3 3 ASP N N 15 118.729 0.069 . 1 . . . . 3 ASP N . 15677 1 26 . 1 1 4 4 HIS H H 1 8.549 0.012 . 1 . . . . 4 HIS H . 15677 1 27 . 1 1 4 4 HIS HA H 1 4.568 0.019 . 1 . . . . 4 HIS HA . 15677 1 28 . 1 1 4 4 HIS HB2 H 1 3.239 0.002 . 1 . . . . 4 HIS HB2 . 15677 1 29 . 1 1 4 4 HIS HB3 H 1 3.144 0.012 . 1 . . . . 4 HIS HB3 . 15677 1 30 . 1 1 4 4 HIS HD2 H 1 7.219 0.010 . 1 . . . . 4 HIS HD2 . 15677 1 31 . 1 1 4 4 HIS HE1 H 1 8.530 0.010 . 1 . . . . 4 HIS HE1 . 15677 1 32 . 1 1 4 4 HIS C C 13 175.101 0.100 . 1 . . . . 4 HIS C . 15677 1 33 . 1 1 4 4 HIS CA C 13 56.640 0.100 . 1 . . . . 4 HIS CA . 15677 1 34 . 1 1 4 4 HIS CB C 13 28.961 0.100 . 1 . . . . 4 HIS CB . 15677 1 35 . 1 1 4 4 HIS CD2 C 13 119.713 0.100 . 1 . . . . 4 HIS CD2 . 15677 1 36 . 1 1 4 4 HIS CE1 C 13 136.016 0.100 . 1 . . . . 4 HIS CE1 . 15677 1 37 . 1 1 4 4 HIS N N 15 119.650 0.096 . 1 . . . . 4 HIS N . 15677 1 38 . 1 1 5 5 GLU H H 1 8.330 0.005 . 1 . . . . 5 GLU H . 15677 1 39 . 1 1 5 5 GLU HA H 1 4.207 0.001 . 1 . . . . 5 GLU HA . 15677 1 40 . 1 1 5 5 GLU HB2 H 1 2.021 0.011 . 2 . . . . 5 GLU QB . 15677 1 41 . 1 1 5 5 GLU HB3 H 1 2.021 0.011 . 2 . . . . 5 GLU QB . 15677 1 42 . 1 1 5 5 GLU HG2 H 1 2.411 0.010 . 2 . . . . 5 GLU QG . 15677 1 43 . 1 1 5 5 GLU HG3 H 1 2.411 0.010 . 2 . . . . 5 GLU QG . 15677 1 44 . 1 1 5 5 GLU C C 13 175.749 0.100 . 1 . . . . 5 GLU C . 15677 1 45 . 1 1 5 5 GLU CA C 13 56.594 0.100 . 1 . . . . 5 GLU CA . 15677 1 46 . 1 1 5 5 GLU CB C 13 29.285 0.100 . 1 . . . . 5 GLU CB . 15677 1 47 . 1 1 5 5 GLU CG C 13 33.330 0.100 . 1 . . . . 5 GLU CG . 15677 1 48 . 1 1 5 5 GLU N N 15 120.937 0.063 . 1 . . . . 5 GLU N . 15677 1 49 . 1 1 6 6 ARG H H 1 8.325 0.003 . 1 . . . . 6 ARG H . 15677 1 50 . 1 1 6 6 ARG HA H 1 4.571 0.010 . 1 . . . . 6 ARG HA . 15677 1 51 . 1 1 6 6 ARG HB2 H 1 1.803 0.010 . 2 . . . . 6 ARG QB . 15677 1 52 . 1 1 6 6 ARG HB3 H 1 1.803 0.010 . 2 . . . . 6 ARG QB . 15677 1 53 . 1 1 6 6 ARG HD2 H 1 3.263 0.010 . 2 . . . . 6 ARG QD . 15677 1 54 . 1 1 6 6 ARG HD3 H 1 3.263 0.010 . 2 . . . . 6 ARG QD . 15677 1 55 . 1 1 6 6 ARG HE H 1 7.000 0.010 . 1 . . . . 6 ARG HE . 15677 1 56 . 1 1 6 6 ARG HG2 H 1 1.636 0.010 . 2 . . . . 6 ARG QG . 15677 1 57 . 1 1 6 6 ARG HG3 H 1 1.636 0.010 . 2 . . . . 6 ARG QG . 15677 1 58 . 1 1 6 6 ARG HH11 H 1 6.373 0.010 . 2 . . . . 6 ARG QH1 . 15677 1 59 . 1 1 6 6 ARG HH12 H 1 6.373 0.010 . 2 . . . . 6 ARG QH1 . 15677 1 60 . 1 1 6 6 ARG HH21 H 1 6.726 0.010 . 2 . . . . 6 ARG QH2 . 15677 1 61 . 1 1 6 6 ARG HH22 H 1 6.726 0.010 . 2 . . . . 6 ARG QH2 . 15677 1 62 . 1 1 6 6 ARG C C 13 177.578 0.100 . 1 . . . . 6 ARG C . 15677 1 63 . 1 1 6 6 ARG CA C 13 56.716 0.100 . 1 . . . . 6 ARG CA . 15677 1 64 . 1 1 6 6 ARG CB C 13 30.744 0.100 . 1 . . . . 6 ARG CB . 15677 1 65 . 1 1 6 6 ARG CD C 13 43.200 0.100 . 1 . . . . 6 ARG CD . 15677 1 66 . 1 1 6 6 ARG CG C 13 27.165 0.100 . 1 . . . . 6 ARG CG . 15677 1 67 . 1 1 6 6 ARG N N 15 120.267 0.002 . 1 . . . . 6 ARG N . 15677 1 68 . 1 1 6 6 ARG NE N 15 108.520 0.100 . 1 . . . . 6 ARG NE . 15677 1 69 . 1 1 7 7 GLU H H 1 8.136 0.003 . 1 . . . . 7 GLU H . 15677 1 70 . 1 1 7 7 GLU HA H 1 4.165 0.009 . 1 . . . . 7 GLU HA . 15677 1 71 . 1 1 7 7 GLU HB2 H 1 2.007 0.006 . 2 . . . . 7 GLU QB . 15677 1 72 . 1 1 7 7 GLU HB3 H 1 2.007 0.006 . 2 . . . . 7 GLU QB . 15677 1 73 . 1 1 7 7 GLU HG2 H 1 2.448 0.010 . 2 . . . . 7 GLU QG . 15677 1 74 . 1 1 7 7 GLU HG3 H 1 2.448 0.010 . 2 . . . . 7 GLU QG . 15677 1 75 . 1 1 7 7 GLU C C 13 177.156 0.100 . 1 . . . . 7 GLU C . 15677 1 76 . 1 1 7 7 GLU CA C 13 57.125 0.100 . 1 . . . . 7 GLU CA . 15677 1 77 . 1 1 7 7 GLU CB C 13 30.149 0.100 . 1 . . . . 7 GLU CB . 15677 1 78 . 1 1 7 7 GLU CG C 13 33.260 0.100 . 1 . . . . 7 GLU CG . 15677 1 79 . 1 1 7 7 GLU N N 15 121.008 0.007 . 1 . . . . 7 GLU N . 15677 1 80 . 1 1 8 8 ALA H H 1 8.325 0.001 . 1 . . . . 8 ALA H . 15677 1 81 . 1 1 8 8 ALA HA H 1 4.212 0.010 . 1 . . . . 8 ALA HA . 15677 1 82 . 1 1 8 8 ALA HB1 H 1 1.353 0.010 . 1 . . . . 8 ALA QB . 15677 1 83 . 1 1 8 8 ALA HB2 H 1 1.353 0.010 . 1 . . . . 8 ALA QB . 15677 1 84 . 1 1 8 8 ALA HB3 H 1 1.353 0.010 . 1 . . . . 8 ALA QB . 15677 1 85 . 1 1 8 8 ALA C C 13 178.913 0.100 . 1 . . . . 8 ALA C . 15677 1 86 . 1 1 8 8 ALA CA C 13 52.832 0.100 . 1 . . . . 8 ALA CA . 15677 1 87 . 1 1 8 8 ALA CB C 13 18.909 0.100 . 1 . . . . 8 ALA CB . 15677 1 88 . 1 1 8 8 ALA N N 15 124.538 0.048 . 1 . . . . 8 ALA N . 15677 1 89 . 1 1 9 9 GLN H H 1 8.159 0.010 . 1 . . . . 9 GLN H . 15677 1 90 . 1 1 9 9 GLN HA H 1 4.140 0.010 . 1 . . . . 9 GLN HA . 15677 1 91 . 1 1 9 9 GLN HB2 H 1 2.050 0.005 . 2 . . . . 9 GLN QB . 15677 1 92 . 1 1 9 9 GLN HB3 H 1 2.050 0.005 . 2 . . . . 9 GLN QB . 15677 1 93 . 1 1 9 9 GLN HE21 H 1 6.816 0.001 . 1 . . . . 9 GLN HE21 . 15677 1 94 . 1 1 9 9 GLN HE22 H 1 7.456 0.017 . 1 . . . . 9 GLN HE22 . 15677 1 95 . 1 1 9 9 GLN HG2 H 1 2.376 0.018 . 2 . . . . 9 GLN QG . 15677 1 96 . 1 1 9 9 GLN HG3 H 1 2.376 0.018 . 2 . . . . 9 GLN QG . 15677 1 97 . 1 1 9 9 GLN C C 13 175.771 0.100 . 1 . . . . 9 GLN C . 15677 1 98 . 1 1 9 9 GLN CA C 13 57.655 0.100 . 1 . . . . 9 GLN CA . 15677 1 99 . 1 1 9 9 GLN CB C 13 28.606 0.100 . 1 . . . . 9 GLN CB . 15677 1 100 . 1 1 9 9 GLN CG C 13 33.120 0.100 . 1 . . . . 9 GLN CG . 15677 1 101 . 1 1 9 9 GLN N N 15 124.103 0.100 . 1 . . . . 9 GLN N . 15677 1 102 . 1 1 9 9 GLN NE2 N 15 112.089 0.039 . 1 . . . . 9 GLN NE2 . 15677 1 103 . 1 1 10 10 LYS H H 1 8.148 0.010 . 1 . . . . 10 LYS H . 15677 1 104 . 1 1 10 10 LYS HA H 1 4.204 0.010 . 1 . . . . 10 LYS HA . 15677 1 105 . 1 1 10 10 LYS HB2 H 1 1.831 0.010 . 2 . . . . 10 LYS QB . 15677 1 106 . 1 1 10 10 LYS HB3 H 1 1.831 0.010 . 2 . . . . 10 LYS QB . 15677 1 107 . 1 1 10 10 LYS HD2 H 1 1.683 0.010 . 2 . . . . 10 LYS QD . 15677 1 108 . 1 1 10 10 LYS HD3 H 1 1.683 0.010 . 2 . . . . 10 LYS QD . 15677 1 109 . 1 1 10 10 LYS HE2 H 1 2.986 0.010 . 2 . . . . 10 LYS QE . 15677 1 110 . 1 1 10 10 LYS HE3 H 1 2.986 0.010 . 2 . . . . 10 LYS QE . 15677 1 111 . 1 1 10 10 LYS HG2 H 1 1.585 0.010 . 2 . . . . 10 LYS QG . 15677 1 112 . 1 1 10 10 LYS HG3 H 1 1.585 0.010 . 2 . . . . 10 LYS QG . 15677 1 113 . 1 1 10 10 LYS C C 13 177.798 0.100 . 1 . . . . 10 LYS C . 15677 1 114 . 1 1 10 10 LYS CA C 13 57.139 0.100 . 1 . . . . 10 LYS CA . 15677 1 115 . 1 1 10 10 LYS CB C 13 33.040 0.100 . 1 . . . . 10 LYS CB . 15677 1 116 . 1 1 10 10 LYS CD C 13 30.600 0.100 . 1 . . . . 10 LYS CD . 15677 1 117 . 1 1 10 10 LYS CE C 13 42.000 0.100 . 1 . . . . 10 LYS CE . 15677 1 118 . 1 1 10 10 LYS CG C 13 24.850 0.100 . 1 . . . . 10 LYS CG . 15677 1 119 . 1 1 10 10 LYS N N 15 120.635 0.100 . 1 . . . . 10 LYS N . 15677 1 120 . 1 1 11 11 ALA H H 1 8.148 0.010 . 1 . . . . 11 ALA H . 15677 1 121 . 1 1 11 11 ALA HA H 1 4.140 0.010 . 1 . . . . 11 ALA HA . 15677 1 122 . 1 1 11 11 ALA HB1 H 1 1.386 0.010 . 1 . . . . 11 ALA QB . 15677 1 123 . 1 1 11 11 ALA HB2 H 1 1.386 0.010 . 1 . . . . 11 ALA QB . 15677 1 124 . 1 1 11 11 ALA HB3 H 1 1.386 0.010 . 1 . . . . 11 ALA QB . 15677 1 125 . 1 1 11 11 ALA C C 13 178.173 0.100 . 1 . . . . 11 ALA C . 15677 1 126 . 1 1 11 11 ALA CA C 13 53.351 0.100 . 1 . . . . 11 ALA CA . 15677 1 127 . 1 1 11 11 ALA CB C 13 19.128 0.100 . 1 . . . . 11 ALA CB . 15677 1 128 . 1 1 11 11 ALA N N 15 123.171 0.022 . 1 . . . . 11 ALA N . 15677 1 129 . 1 1 12 12 GLU H H 1 8.248 0.001 . 1 . . . . 12 GLU H . 15677 1 130 . 1 1 12 12 GLU HA H 1 4.222 0.010 . 1 . . . . 12 GLU HA . 15677 1 131 . 1 1 12 12 GLU HB2 H 1 1.936 0.010 . 2 . . . . 12 GLU QB . 15677 1 132 . 1 1 12 12 GLU HB3 H 1 1.936 0.010 . 2 . . . . 12 GLU QB . 15677 1 133 . 1 1 12 12 GLU HG2 H 1 2.391 0.010 . 2 . . . . 12 GLU QG . 15677 1 134 . 1 1 12 12 GLU HG3 H 1 2.391 0.010 . 2 . . . . 12 GLU QG . 15677 1 135 . 1 1 12 12 GLU C C 13 176.385 0.100 . 1 . . . . 12 GLU C . 15677 1 136 . 1 1 12 12 GLU CA C 13 57.442 0.100 . 1 . . . . 12 GLU CA . 15677 1 137 . 1 1 12 12 GLU CB C 13 30.001 0.100 . 1 . . . . 12 GLU CB . 15677 1 138 . 1 1 12 12 GLU CG C 13 33.350 0.100 . 1 . . . . 12 GLU CG . 15677 1 139 . 1 1 12 12 GLU N N 15 119.451 0.021 . 1 . . . . 12 GLU N . 15677 1 140 . 1 1 13 13 GLU H H 1 8.372 0.002 . 1 . . . . 13 GLU H . 15677 1 141 . 1 1 13 13 GLU HA H 1 4.265 0.010 . 1 . . . . 13 GLU HA . 15677 1 142 . 1 1 13 13 GLU HB2 H 1 2.008 0.010 . 2 . . . . 13 GLU QB . 15677 1 143 . 1 1 13 13 GLU HB3 H 1 2.008 0.010 . 2 . . . . 13 GLU QB . 15677 1 144 . 1 1 13 13 GLU HG2 H 1 2.397 0.010 . 2 . . . . 13 GLU QG . 15677 1 145 . 1 1 13 13 GLU HG3 H 1 2.397 0.010 . 2 . . . . 13 GLU QG . 15677 1 146 . 1 1 13 13 GLU C C 13 178.060 0.100 . 1 . . . . 13 GLU C . 15677 1 147 . 1 1 13 13 GLU CA C 13 56.828 0.100 . 1 . . . . 13 GLU CA . 15677 1 148 . 1 1 13 13 GLU CB C 13 30.082 0.100 . 1 . . . . 13 GLU CB . 15677 1 149 . 1 1 13 13 GLU CG C 13 33.350 0.100 . 1 . . . . 13 GLU CG . 15677 1 150 . 1 1 13 13 GLU N N 15 121.080 0.049 . 1 . . . . 13 GLU N . 15677 1 151 . 1 1 14 14 GLU H H 1 8.152 0.001 . 1 . . . . 14 GLU H . 15677 1 152 . 1 1 14 14 GLU HA H 1 4.142 0.010 . 1 . . . . 14 GLU HA . 15677 1 153 . 1 1 14 14 GLU HB2 H 1 2.069 0.010 . 2 . . . . 14 GLU QB . 15677 1 154 . 1 1 14 14 GLU HB3 H 1 2.069 0.010 . 2 . . . . 14 GLU QB . 15677 1 155 . 1 1 14 14 GLU HG2 H 1 2.473 0.010 . 2 . . . . 14 GLU QG . 15677 1 156 . 1 1 14 14 GLU HG3 H 1 2.473 0.010 . 2 . . . . 14 GLU QG . 15677 1 157 . 1 1 14 14 GLU C C 13 176.274 0.100 . 1 . . . . 14 GLU C . 15677 1 158 . 1 1 14 14 GLU CA C 13 56.892 0.100 . 1 . . . . 14 GLU CA . 15677 1 159 . 1 1 14 14 GLU CB C 13 28.169 0.100 . 1 . . . . 14 GLU CB . 15677 1 160 . 1 1 14 14 GLU CG C 13 33.530 0.100 . 1 . . . . 14 GLU CG . 15677 1 161 . 1 1 14 14 GLU N N 15 120.236 0.011 . 1 . . . . 14 GLU N . 15677 1 162 . 1 1 15 15 LEU H H 1 8.301 0.002 . 1 . . . . 15 LEU H . 15677 1 163 . 1 1 15 15 LEU HA H 1 4.224 0.010 . 1 . . . . 15 LEU HA . 15677 1 164 . 1 1 15 15 LEU HB2 H 1 1.490 0.010 . 1 . . . . 15 LEU HB2 . 15677 1 165 . 1 1 15 15 LEU HB3 H 1 1.688 0.010 . 1 . . . . 15 LEU HB3 . 15677 1 166 . 1 1 15 15 LEU HD11 H 1 0.814 0.010 . 2 . . . . 15 LEU QD1 . 15677 1 167 . 1 1 15 15 LEU HD12 H 1 0.814 0.010 . 2 . . . . 15 LEU QD1 . 15677 1 168 . 1 1 15 15 LEU HD13 H 1 0.814 0.010 . 2 . . . . 15 LEU QD1 . 15677 1 169 . 1 1 15 15 LEU HD21 H 1 0.787 0.010 . 2 . . . . 15 LEU QD2 . 15677 1 170 . 1 1 15 15 LEU HD22 H 1 0.787 0.010 . 2 . . . . 15 LEU QD2 . 15677 1 171 . 1 1 15 15 LEU HD23 H 1 0.787 0.010 . 2 . . . . 15 LEU QD2 . 15677 1 172 . 1 1 15 15 LEU HG H 1 1.506 0.010 . 1 . . . . 15 LEU HG . 15677 1 173 . 1 1 15 15 LEU C C 13 177.983 0.100 . 1 . . . . 15 LEU C . 15677 1 174 . 1 1 15 15 LEU CA C 13 56.344 0.100 . 1 . . . . 15 LEU CA . 15677 1 175 . 1 1 15 15 LEU CB C 13 42.250 0.100 . 1 . . . . 15 LEU CB . 15677 1 176 . 1 1 15 15 LEU CD1 C 13 24.475 0.100 . 1 . . . . 15 LEU CD1 . 15677 1 177 . 1 1 15 15 LEU CD2 C 13 24.475 0.100 . 1 . . . . 15 LEU CD2 . 15677 1 178 . 1 1 15 15 LEU CG C 13 26.872 0.100 . 1 . . . . 15 LEU CG . 15677 1 179 . 1 1 15 15 LEU N N 15 123.072 0.010 . 1 . . . . 15 LEU N . 15677 1 180 . 1 1 16 16 GLN H H 1 8.132 0.001 . 1 . . . . 16 GLN H . 15677 1 181 . 1 1 16 16 GLN HA H 1 4.145 0.020 . 1 . . . . 16 GLN HA . 15677 1 182 . 1 1 16 16 GLN HB2 H 1 2.066 0.002 . 2 . . . . 16 GLN QB . 15677 1 183 . 1 1 16 16 GLN HB3 H 1 2.066 0.002 . 2 . . . . 16 GLN QB . 15677 1 184 . 1 1 16 16 GLN HE21 H 1 6.820 0.010 . 1 . . . . 16 GLN HE21 . 15677 1 185 . 1 1 16 16 GLN HE22 H 1 7.384 0.003 . 1 . . . . 16 GLN HE22 . 15677 1 186 . 1 1 16 16 GLN HG2 H 1 2.426 0.017 . 2 . . . . 16 GLN QG . 15677 1 187 . 1 1 16 16 GLN HG3 H 1 2.426 0.017 . 2 . . . . 16 GLN QG . 15677 1 188 . 1 1 16 16 GLN C C 13 177.674 0.100 . 1 . . . . 16 GLN C . 15677 1 189 . 1 1 16 16 GLN CA C 13 57.971 0.100 . 1 . . . . 16 GLN CA . 15677 1 190 . 1 1 16 16 GLN CB C 13 29.889 0.100 . 1 . . . . 16 GLN CB . 15677 1 191 . 1 1 16 16 GLN CG C 13 33.120 0.100 . 1 . . . . 16 GLN CG . 15677 1 192 . 1 1 16 16 GLN N N 15 119.160 0.033 . 1 . . . . 16 GLN N . 15677 1 193 . 1 1 16 16 GLN NE2 N 15 112.010 0.016 . 1 . . . . 16 GLN NE2 . 15677 1 194 . 1 1 17 17 LYS H H 1 8.214 0.003 . 1 . . . . 17 LYS H . 15677 1 195 . 1 1 17 17 LYS HA H 1 4.140 0.010 . 1 . . . . 17 LYS HA . 15677 1 196 . 1 1 17 17 LYS HB2 H 1 1.768 0.010 . 2 . . . . 17 LYS QB . 15677 1 197 . 1 1 17 17 LYS HB3 H 1 1.768 0.010 . 2 . . . . 17 LYS QB . 15677 1 198 . 1 1 17 17 LYS HD2 H 1 1.502 0.010 . 2 . . . . 17 LYS QD . 15677 1 199 . 1 1 17 17 LYS HD3 H 1 1.502 0.010 . 2 . . . . 17 LYS QD . 15677 1 200 . 1 1 17 17 LYS HE2 H 1 2.954 0.010 . 2 . . . . 17 LYS QE . 15677 1 201 . 1 1 17 17 LYS HE3 H 1 2.954 0.010 . 2 . . . . 17 LYS QE . 15677 1 202 . 1 1 17 17 LYS HG2 H 1 1.382 0.010 . 2 . . . . 17 LYS QG . 15677 1 203 . 1 1 17 17 LYS HG3 H 1 1.382 0.010 . 2 . . . . 17 LYS QG . 15677 1 204 . 1 1 17 17 LYS C C 13 177.646 0.100 . 1 . . . . 17 LYS C . 15677 1 205 . 1 1 17 17 LYS CA C 13 57.115 0.100 . 1 . . . . 17 LYS CA . 15677 1 206 . 1 1 17 17 LYS CB C 13 32.833 0.100 . 1 . . . . 17 LYS CB . 15677 1 207 . 1 1 17 17 LYS CD C 13 30.600 0.100 . 1 . . . . 17 LYS CD . 15677 1 208 . 1 1 17 17 LYS CE C 13 42.000 0.100 . 1 . . . . 17 LYS CE . 15677 1 209 . 1 1 17 17 LYS CG C 13 24.850 0.100 . 1 . . . . 17 LYS CG . 15677 1 210 . 1 1 17 17 LYS N N 15 120.310 0.030 . 1 . . . . 17 LYS N . 15677 1 211 . 1 1 18 18 VAL H H 1 7.871 0.002 . 1 . . . . 18 VAL H . 15677 1 212 . 1 1 18 18 VAL HA H 1 4.108 0.010 . 1 . . . . 18 VAL HA . 15677 1 213 . 1 1 18 18 VAL HB H 1 2.111 0.010 . 1 . . . . 18 VAL HB . 15677 1 214 . 1 1 18 18 VAL HG11 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 215 . 1 1 18 18 VAL HG12 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 216 . 1 1 18 18 VAL HG13 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 217 . 1 1 18 18 VAL HG21 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 218 . 1 1 18 18 VAL HG22 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 219 . 1 1 18 18 VAL HG23 H 1 0.972 0.010 . 2 . . . . 18 VAL QQG . 15677 1 220 . 1 1 18 18 VAL C C 13 177.476 0.100 . 1 . . . . 18 VAL C . 15677 1 221 . 1 1 18 18 VAL CA C 13 63.634 0.100 . 1 . . . . 18 VAL CA . 15677 1 222 . 1 1 18 18 VAL CB C 13 31.886 0.100 . 1 . . . . 18 VAL CB . 15677 1 223 . 1 1 18 18 VAL CG1 C 13 21.720 0.100 . 1 . . . . 18 VAL CG1 . 15677 1 224 . 1 1 18 18 VAL CG2 C 13 21.720 0.100 . 1 . . . . 18 VAL CG2 . 15677 1 225 . 1 1 18 18 VAL N N 15 120.571 0.021 . 1 . . . . 18 VAL N . 15677 1 226 . 1 1 19 19 LEU H H 1 8.180 0.005 . 1 . . . . 19 LEU H . 15677 1 227 . 1 1 19 19 LEU HA H 1 4.042 0.010 . 1 . . . . 19 LEU HA . 15677 1 228 . 1 1 19 19 LEU HB2 H 1 1.720 0.010 . 2 . . . . 19 LEU QB . 15677 1 229 . 1 1 19 19 LEU HB3 H 1 1.720 0.010 . 2 . . . . 19 LEU QB . 15677 1 230 . 1 1 19 19 LEU HD11 H 1 0.847 0.010 . 2 . . . . 19 LEU QD1 . 15677 1 231 . 1 1 19 19 LEU HD12 H 1 0.847 0.010 . 2 . . . . 19 LEU QD1 . 15677 1 232 . 1 1 19 19 LEU HD13 H 1 0.847 0.010 . 2 . . . . 19 LEU QD1 . 15677 1 233 . 1 1 19 19 LEU HD21 H 1 0.874 0.010 . 2 . . . . 19 LEU QD2 . 15677 1 234 . 1 1 19 19 LEU HD22 H 1 0.874 0.010 . 2 . . . . 19 LEU QD2 . 15677 1 235 . 1 1 19 19 LEU HD23 H 1 0.874 0.010 . 2 . . . . 19 LEU QD2 . 15677 1 236 . 1 1 19 19 LEU HG H 1 1.499 0.010 . 1 . . . . 19 LEU HG . 15677 1 237 . 1 1 19 19 LEU C C 13 179.462 0.100 . 1 . . . . 19 LEU C . 15677 1 238 . 1 1 19 19 LEU CA C 13 57.653 0.100 . 1 . . . . 19 LEU CA . 15677 1 239 . 1 1 19 19 LEU CB C 13 41.800 0.100 . 1 . . . . 19 LEU CB . 15677 1 240 . 1 1 19 19 LEU CD1 C 13 23.876 0.100 . 1 . . . . 19 LEU CD1 . 15677 1 241 . 1 1 19 19 LEU CD2 C 13 23.876 0.100 . 1 . . . . 19 LEU CD2 . 15677 1 242 . 1 1 19 19 LEU CG C 13 26.878 0.100 . 1 . . . . 19 LEU CG . 15677 1 243 . 1 1 19 19 LEU N N 15 122.936 0.023 . 1 . . . . 19 LEU N . 15677 1 244 . 1 1 20 20 GLU H H 1 8.122 0.001 . 1 . . . . 20 GLU H . 15677 1 245 . 1 1 20 20 GLU HA H 1 4.156 0.010 . 1 . . . . 20 GLU HA . 15677 1 246 . 1 1 20 20 GLU HB2 H 1 2.069 0.010 . 2 . . . . 20 GLU QB . 15677 1 247 . 1 1 20 20 GLU HB3 H 1 2.069 0.010 . 2 . . . . 20 GLU QB . 15677 1 248 . 1 1 20 20 GLU HG2 H 1 2.406 0.010 . 2 . . . . 20 GLU QG . 15677 1 249 . 1 1 20 20 GLU HG3 H 1 2.406 0.010 . 2 . . . . 20 GLU QG . 15677 1 250 . 1 1 20 20 GLU C C 13 178.001 0.100 . 1 . . . . 20 GLU C . 15677 1 251 . 1 1 20 20 GLU CA C 13 58.045 0.100 . 1 . . . . 20 GLU CA . 15677 1 252 . 1 1 20 20 GLU CB C 13 30.092 0.100 . 1 . . . . 20 GLU CB . 15677 1 253 . 1 1 20 20 GLU CG C 13 33.530 0.100 . 1 . . . . 20 GLU CG . 15677 1 254 . 1 1 20 20 GLU N N 15 118.745 0.030 . 1 . . . . 20 GLU N . 15677 1 255 . 1 1 21 21 GLU H H 1 8.190 0.005 . 1 . . . . 21 GLU H . 15677 1 256 . 1 1 21 21 GLU HA H 1 4.144 0.010 . 1 . . . . 21 GLU HA . 15677 1 257 . 1 1 21 21 GLU HB2 H 1 2.071 0.010 . 2 . . . . 21 GLU QB . 15677 1 258 . 1 1 21 21 GLU HB3 H 1 2.071 0.010 . 2 . . . . 21 GLU QB . 15677 1 259 . 1 1 21 21 GLU HG2 H 1 2.485 0.010 . 2 . . . . 21 GLU QG . 15677 1 260 . 1 1 21 21 GLU HG3 H 1 2.485 0.010 . 2 . . . . 21 GLU QG . 15677 1 261 . 1 1 21 21 GLU C C 13 177.290 0.100 . 1 . . . . 21 GLU C . 15677 1 262 . 1 1 21 21 GLU CA C 13 58.109 0.100 . 1 . . . . 21 GLU CA . 15677 1 263 . 1 1 21 21 GLU CB C 13 29.868 0.100 . 1 . . . . 21 GLU CB . 15677 1 264 . 1 1 21 21 GLU CG C 13 33.530 0.100 . 1 . . . . 21 GLU CG . 15677 1 265 . 1 1 21 21 GLU N N 15 119.542 0.200 . 1 . . . . 21 GLU N . 15677 1 266 . 1 1 22 22 ALA H H 1 8.092 0.007 . 1 . . . . 22 ALA H . 15677 1 267 . 1 1 22 22 ALA HA H 1 4.173 0.007 . 1 . . . . 22 ALA HA . 15677 1 268 . 1 1 22 22 ALA HB1 H 1 1.406 0.002 . 1 . . . . 22 ALA QB . 15677 1 269 . 1 1 22 22 ALA HB2 H 1 1.406 0.002 . 1 . . . . 22 ALA QB . 15677 1 270 . 1 1 22 22 ALA HB3 H 1 1.406 0.002 . 1 . . . . 22 ALA QB . 15677 1 271 . 1 1 22 22 ALA C C 13 179.020 0.100 . 1 . . . . 22 ALA C . 15677 1 272 . 1 1 22 22 ALA CA C 13 53.944 0.100 . 1 . . . . 22 ALA CA . 15677 1 273 . 1 1 22 22 ALA CB C 13 18.578 0.100 . 1 . . . . 22 ALA CB . 15677 1 274 . 1 1 22 22 ALA N N 15 123.378 0.175 . 1 . . . . 22 ALA N . 15677 1 275 . 1 1 23 23 SER H H 1 8.079 0.001 . 1 . . . . 23 SER H . 15677 1 276 . 1 1 23 23 SER HA H 1 4.300 0.018 . 1 . . . . 23 SER HA . 15677 1 277 . 1 1 23 23 SER HB2 H 1 3.884 0.002 . 2 . . . . 23 SER QB . 15677 1 278 . 1 1 23 23 SER HB3 H 1 3.884 0.002 . 2 . . . . 23 SER QB . 15677 1 279 . 1 1 23 23 SER C C 13 173.125 0.100 . 1 . . . . 23 SER C . 15677 1 280 . 1 1 23 23 SER CA C 13 59.414 0.100 . 1 . . . . 23 SER CA . 15677 1 281 . 1 1 23 23 SER CB C 13 63.520 0.100 . 1 . . . . 23 SER CB . 15677 1 282 . 1 1 23 23 SER N N 15 114.637 0.023 . 1 . . . . 23 SER N . 15677 1 283 . 1 1 24 24 LYS H H 1 8.032 0.003 . 1 . . . . 24 LYS H . 15677 1 284 . 1 1 24 24 LYS HA H 1 4.325 0.010 . 1 . . . . 24 LYS HA . 15677 1 285 . 1 1 24 24 LYS HB2 H 1 1.772 0.010 . 2 . . . . 24 LYS QB . 15677 1 286 . 1 1 24 24 LYS HB3 H 1 1.772 0.010 . 2 . . . . 24 LYS QB . 15677 1 287 . 1 1 24 24 LYS HD2 H 1 1.776 0.010 . 2 . . . . 24 LYS QD . 15677 1 288 . 1 1 24 24 LYS HD3 H 1 1.776 0.010 . 2 . . . . 24 LYS QD . 15677 1 289 . 1 1 24 24 LYS HE2 H 1 2.914 0.010 . 2 . . . . 24 LYS QE . 15677 1 290 . 1 1 24 24 LYS HE3 H 1 2.914 0.010 . 2 . . . . 24 LYS QE . 15677 1 291 . 1 1 24 24 LYS HG2 H 1 1.399 0.010 . 2 . . . . 24 LYS QG . 15677 1 292 . 1 1 24 24 LYS HG3 H 1 1.399 0.010 . 2 . . . . 24 LYS QG . 15677 1 293 . 1 1 24 24 LYS C C 13 175.423 0.100 . 1 . . . . 24 LYS C . 15677 1 294 . 1 1 24 24 LYS CA C 13 57.273 0.100 . 1 . . . . 24 LYS CA . 15677 1 295 . 1 1 24 24 LYS CB C 13 31.200 0.100 . 1 . . . . 24 LYS CB . 15677 1 296 . 1 1 24 24 LYS CD C 13 30.600 0.100 . 1 . . . . 24 LYS CD . 15677 1 297 . 1 1 24 24 LYS CE C 13 42.000 0.100 . 1 . . . . 24 LYS CE . 15677 1 298 . 1 1 24 24 LYS CG C 13 24.850 0.100 . 1 . . . . 24 LYS CG . 15677 1 299 . 1 1 24 24 LYS N N 15 122.635 0.030 . 1 . . . . 24 LYS N . 15677 1 300 . 1 1 25 25 LYS H H 1 8.042 0.003 . 1 . . . . 25 LYS H . 15677 1 301 . 1 1 25 25 LYS HA H 1 4.169 0.010 . 1 . . . . 25 LYS HA . 15677 1 302 . 1 1 25 25 LYS HB2 H 1 1.747 0.010 . 2 . . . . 25 LYS QB . 15677 1 303 . 1 1 25 25 LYS HB3 H 1 1.747 0.010 . 2 . . . . 25 LYS QB . 15677 1 304 . 1 1 25 25 LYS HD2 H 1 1.776 0.010 . 2 . . . . 25 LYS QD . 15677 1 305 . 1 1 25 25 LYS HD3 H 1 1.776 0.010 . 2 . . . . 25 LYS QD . 15677 1 306 . 1 1 25 25 LYS HE2 H 1 2.983 0.010 . 2 . . . . 25 LYS QE . 15677 1 307 . 1 1 25 25 LYS HE3 H 1 2.983 0.010 . 2 . . . . 25 LYS QE . 15677 1 308 . 1 1 25 25 LYS HG2 H 1 1.399 0.010 . 2 . . . . 25 LYS QG . 15677 1 309 . 1 1 25 25 LYS HG3 H 1 1.399 0.010 . 2 . . . . 25 LYS QG . 15677 1 310 . 1 1 25 25 LYS C C 13 177.025 0.100 . 1 . . . . 25 LYS C . 15677 1 311 . 1 1 25 25 LYS CA C 13 56.876 0.100 . 1 . . . . 25 LYS CA . 15677 1 312 . 1 1 25 25 LYS CB C 13 31.200 0.100 . 1 . . . . 25 LYS CB . 15677 1 313 . 1 1 25 25 LYS CD C 13 30.600 0.100 . 1 . . . . 25 LYS CD . 15677 1 314 . 1 1 25 25 LYS CE C 13 42.000 0.100 . 1 . . . . 25 LYS CE . 15677 1 315 . 1 1 25 25 LYS CG C 13 24.850 0.100 . 1 . . . . 25 LYS CG . 15677 1 316 . 1 1 25 25 LYS N N 15 121.079 0.070 . 1 . . . . 25 LYS N . 15677 1 317 . 1 1 26 26 ALA H H 1 8.103 0.009 . 1 . . . . 26 ALA H . 15677 1 318 . 1 1 26 26 ALA HA H 1 4.196 0.020 . 1 . . . . 26 ALA HA . 15677 1 319 . 1 1 26 26 ALA HB1 H 1 1.349 0.009 . 1 . . . . 26 ALA QB . 15677 1 320 . 1 1 26 26 ALA HB2 H 1 1.349 0.009 . 1 . . . . 26 ALA QB . 15677 1 321 . 1 1 26 26 ALA HB3 H 1 1.349 0.009 . 1 . . . . 26 ALA QB . 15677 1 322 . 1 1 26 26 ALA C C 13 178.418 0.100 . 1 . . . . 26 ALA C . 15677 1 323 . 1 1 26 26 ALA CA C 13 53.049 0.100 . 1 . . . . 26 ALA CA . 15677 1 324 . 1 1 26 26 ALA CB C 13 19.055 0.100 . 1 . . . . 26 ALA CB . 15677 1 325 . 1 1 26 26 ALA N N 15 124.589 0.069 . 1 . . . . 26 ALA N . 15677 1 326 . 1 1 27 27 VAL H H 1 8.030 0.002 . 1 . . . . 27 VAL H . 15677 1 327 . 1 1 27 27 VAL HA H 1 3.945 0.001 . 1 . . . . 27 VAL HA . 15677 1 328 . 1 1 27 27 VAL HB H 1 2.025 0.010 . 1 . . . . 27 VAL HB . 15677 1 329 . 1 1 27 27 VAL HG11 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 330 . 1 1 27 27 VAL HG12 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 331 . 1 1 27 27 VAL HG13 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 332 . 1 1 27 27 VAL HG21 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 333 . 1 1 27 27 VAL HG22 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 334 . 1 1 27 27 VAL HG23 H 1 0.906 0.010 . 2 . . . . 27 VAL QQG . 15677 1 335 . 1 1 27 27 VAL C C 13 179.177 0.100 . 1 . . . . 27 VAL C . 15677 1 336 . 1 1 27 27 VAL CA C 13 63.001 0.100 . 1 . . . . 27 VAL CA . 15677 1 337 . 1 1 27 27 VAL CB C 13 32.449 0.100 . 1 . . . . 27 VAL CB . 15677 1 338 . 1 1 27 27 VAL CG1 C 13 20.980 0.100 . 1 . . . . 27 VAL CG1 . 15677 1 339 . 1 1 27 27 VAL CG2 C 13 20.980 0.100 . 1 . . . . 27 VAL CG2 . 15677 1 340 . 1 1 27 27 VAL N N 15 119.340 0.028 . 1 . . . . 27 VAL N . 15677 1 341 . 1 1 28 28 GLU H H 1 8.187 0.002 . 1 . . . . 28 GLU H . 15677 1 342 . 1 1 28 28 GLU HA H 1 4.166 0.010 . 1 . . . . 28 GLU HA . 15677 1 343 . 1 1 28 28 GLU HB2 H 1 2.008 0.008 . 2 . . . . 28 GLU QB . 15677 1 344 . 1 1 28 28 GLU HB3 H 1 2.008 0.008 . 2 . . . . 28 GLU QB . 15677 1 345 . 1 1 28 28 GLU HG2 H 1 2.429 0.010 . 2 . . . . 28 GLU QG . 15677 1 346 . 1 1 28 28 GLU HG3 H 1 2.429 0.010 . 2 . . . . 28 GLU QG . 15677 1 347 . 1 1 28 28 GLU C C 13 176.411 0.100 . 1 . . . . 28 GLU C . 15677 1 348 . 1 1 28 28 GLU CA C 13 57.290 0.100 . 1 . . . . 28 GLU CA . 15677 1 349 . 1 1 28 28 GLU CB C 13 30.025 0.100 . 1 . . . . 28 GLU CB . 15677 1 350 . 1 1 28 28 GLU CG C 13 33.000 0.100 . 1 . . . . 28 GLU CG . 15677 1 351 . 1 1 28 28 GLU N N 15 120.351 0.057 . 1 . . . . 28 GLU N . 15677 1 352 . 1 1 29 29 ALA H H 1 8.173 0.003 . 1 . . . . 29 ALA H . 15677 1 353 . 1 1 29 29 ALA HA H 1 4.230 0.010 . 1 . . . . 29 ALA HA . 15677 1 354 . 1 1 29 29 ALA HB1 H 1 1.356 0.010 . 1 . . . . 29 ALA QB . 15677 1 355 . 1 1 29 29 ALA HB2 H 1 1.356 0.010 . 1 . . . . 29 ALA QB . 15677 1 356 . 1 1 29 29 ALA HB3 H 1 1.356 0.010 . 1 . . . . 29 ALA QB . 15677 1 357 . 1 1 29 29 ALA C C 13 176.924 0.100 . 1 . . . . 29 ALA C . 15677 1 358 . 1 1 29 29 ALA CA C 13 53.338 0.100 . 1 . . . . 29 ALA CA . 15677 1 359 . 1 1 29 29 ALA CB C 13 18.964 0.100 . 1 . . . . 29 ALA CB . 15677 1 360 . 1 1 29 29 ALA N N 15 124.463 0.014 . 1 . . . . 29 ALA N . 15677 1 361 . 1 1 30 30 GLU H H 1 8.239 0.001 . 1 . . . . 30 GLU H . 15677 1 362 . 1 1 30 30 GLU HA H 1 4.251 0.010 . 1 . . . . 30 GLU HA . 15677 1 363 . 1 1 30 30 GLU HB2 H 1 2.008 0.011 . 2 . . . . 30 GLU QB . 15677 1 364 . 1 1 30 30 GLU HB3 H 1 2.008 0.011 . 2 . . . . 30 GLU QB . 15677 1 365 . 1 1 30 30 GLU HG2 H 1 2.449 0.014 . 2 . . . . 30 GLU QG . 15677 1 366 . 1 1 30 30 GLU HG3 H 1 2.449 0.014 . 2 . . . . 30 GLU QG . 15677 1 367 . 1 1 30 30 GLU C C 13 175.016 0.100 . 1 . . . . 30 GLU C . 15677 1 368 . 1 1 30 30 GLU CA C 13 58.033 0.100 . 1 . . . . 30 GLU CA . 15677 1 369 . 1 1 30 30 GLU CB C 13 29.996 0.100 . 1 . . . . 30 GLU CB . 15677 1 370 . 1 1 30 30 GLU CG C 13 33.000 0.100 . 1 . . . . 30 GLU CG . 15677 1 371 . 1 1 30 30 GLU N N 15 122.971 0.022 . 1 . . . . 30 GLU N . 15677 1 372 . 1 1 31 31 ARG H H 1 8.261 0.005 . 1 . . . . 31 ARG H . 15677 1 373 . 1 1 31 31 ARG HA H 1 4.255 0.010 . 1 . . . . 31 ARG HA . 15677 1 374 . 1 1 31 31 ARG HB2 H 1 1.761 0.020 . 2 . . . . 31 ARG QB . 15677 1 375 . 1 1 31 31 ARG HB3 H 1 1.761 0.020 . 2 . . . . 31 ARG QB . 15677 1 376 . 1 1 31 31 ARG HD2 H 1 3.124 0.003 . 2 . . . . 31 ARG QD . 15677 1 377 . 1 1 31 31 ARG HD3 H 1 3.124 0.003 . 2 . . . . 31 ARG QD . 15677 1 378 . 1 1 31 31 ARG HE H 1 7.147 0.010 . 1 . . . . 31 ARG HE . 15677 1 379 . 1 1 31 31 ARG HG2 H 1 1.605 0.002 . 2 . . . . 31 ARG QG . 15677 1 380 . 1 1 31 31 ARG HG3 H 1 1.605 0.002 . 2 . . . . 31 ARG QG . 15677 1 381 . 1 1 31 31 ARG HH11 H 1 6.420 0.010 . 2 . . . . 31 ARG QH1 . 15677 1 382 . 1 1 31 31 ARG HH12 H 1 6.420 0.010 . 2 . . . . 31 ARG QH1 . 15677 1 383 . 1 1 31 31 ARG HH21 H 1 6.726 0.010 . 2 . . . . 31 ARG QH2 . 15677 1 384 . 1 1 31 31 ARG HH22 H 1 6.726 0.010 . 2 . . . . 31 ARG QH2 . 15677 1 385 . 1 1 31 31 ARG C C 13 176.727 0.100 . 1 . . . . 31 ARG C . 15677 1 386 . 1 1 31 31 ARG CA C 13 56.565 0.100 . 1 . . . . 31 ARG CA . 15677 1 387 . 1 1 31 31 ARG CB C 13 30.783 0.100 . 1 . . . . 31 ARG CB . 15677 1 388 . 1 1 31 31 ARG CD C 13 43.200 0.100 . 1 . . . . 31 ARG CD . 15677 1 389 . 1 1 31 31 ARG CG C 13 27.165 0.100 . 1 . . . . 31 ARG CG . 15677 1 390 . 1 1 31 31 ARG N N 15 121.894 0.101 . 1 . . . . 31 ARG N . 15677 1 391 . 1 1 31 31 ARG NE N 15 108.585 0.100 . 1 . . . . 31 ARG NE . 15677 1 392 . 1 1 32 32 GLY H H 1 8.302 0.001 . 1 . . . . 32 GLY H . 15677 1 393 . 1 1 32 32 GLY HA2 H 1 3.852 0.010 . 2 . . . . 32 GLY QA . 15677 1 394 . 1 1 32 32 GLY HA3 H 1 3.852 0.010 . 2 . . . . 32 GLY QA . 15677 1 395 . 1 1 32 32 GLY C C 13 173.994 0.100 . 1 . . . . 32 GLY C . 15677 1 396 . 1 1 32 32 GLY CA C 13 45.077 0.100 . 1 . . . . 32 GLY CA . 15677 1 397 . 1 1 32 32 GLY N N 15 109.773 0.058 . 1 . . . . 32 GLY N . 15677 1 398 . 1 1 33 33 ALA H H 1 8.011 0.012 . 1 . . . . 33 ALA H . 15677 1 399 . 1 1 33 33 ALA HA H 1 4.212 0.010 . 1 . . . . 33 ALA HA . 15677 1 400 . 1 1 33 33 ALA HB1 H 1 1.311 0.004 . 1 . . . . 33 ALA QB . 15677 1 401 . 1 1 33 33 ALA HB2 H 1 1.311 0.004 . 1 . . . . 33 ALA QB . 15677 1 402 . 1 1 33 33 ALA HB3 H 1 1.311 0.004 . 1 . . . . 33 ALA QB . 15677 1 403 . 1 1 33 33 ALA CA C 13 50.522 0.100 . 1 . . . . 33 ALA CA . 15677 1 404 . 1 1 33 33 ALA CB C 13 18.962 0.100 . 1 . . . . 33 ALA CB . 15677 1 405 . 1 1 33 33 ALA N N 15 123.601 0.020 . 1 . . . . 33 ALA N . 15677 1 406 . 1 1 34 34 PRO HA H 1 4.352 0.010 . 1 . . . . 34 PRO HA . 15677 1 407 . 1 1 34 34 PRO HB2 H 1 2.228 0.010 . 2 . . . . 34 PRO QB . 15677 1 408 . 1 1 34 34 PRO HB3 H 1 2.228 0.010 . 2 . . . . 34 PRO QB . 15677 1 409 . 1 1 34 34 PRO HD2 H 1 3.576 0.010 . 1 . . . . 34 PRO HD2 . 15677 1 410 . 1 1 34 34 PRO HD3 H 1 3.680 0.010 . 1 . . . . 34 PRO HD3 . 15677 1 411 . 1 1 34 34 PRO HG2 H 1 1.887 0.010 . 2 . . . . 34 PRO QG . 15677 1 412 . 1 1 34 34 PRO HG3 H 1 1.887 0.010 . 2 . . . . 34 PRO QG . 15677 1 413 . 1 1 34 34 PRO C C 13 177.746 0.100 . 1 . . . . 34 PRO C . 15677 1 414 . 1 1 34 34 PRO CA C 13 63.520 0.100 . 1 . . . . 34 PRO CA . 15677 1 415 . 1 1 34 34 PRO CB C 13 31.938 0.100 . 1 . . . . 34 PRO CB . 15677 1 416 . 1 1 34 34 PRO CD C 13 50.176 0.100 . 1 . . . . 34 PRO CD . 15677 1 417 . 1 1 34 34 PRO CG C 13 27.510 0.100 . 1 . . . . 34 PRO CG . 15677 1 418 . 1 1 35 35 GLY H H 1 8.433 0.001 . 1 . . . . 35 GLY H . 15677 1 419 . 1 1 35 35 GLY HA2 H 1 3.848 0.010 . 2 . . . . 35 GLY QA . 15677 1 420 . 1 1 35 35 GLY HA3 H 1 3.848 0.010 . 2 . . . . 35 GLY QA . 15677 1 421 . 1 1 35 35 GLY C C 13 173.266 0.100 . 1 . . . . 35 GLY C . 15677 1 422 . 1 1 35 35 GLY CA C 13 45.405 0.100 . 1 . . . . 35 GLY CA . 15677 1 423 . 1 1 35 35 GLY N N 15 109.298 0.093 . 1 . . . . 35 GLY N . 15677 1 424 . 1 1 36 36 ALA H H 1 8.095 0.007 . 1 . . . . 36 ALA H . 15677 1 425 . 1 1 36 36 ALA HA H 1 4.196 0.010 . 1 . . . . 36 ALA HA . 15677 1 426 . 1 1 36 36 ALA HB1 H 1 1.363 0.010 . 1 . . . . 36 ALA QB . 15677 1 427 . 1 1 36 36 ALA HB2 H 1 1.363 0.010 . 1 . . . . 36 ALA QB . 15677 1 428 . 1 1 36 36 ALA HB3 H 1 1.363 0.010 . 1 . . . . 36 ALA QB . 15677 1 429 . 1 1 36 36 ALA C C 13 177.944 0.100 . 1 . . . . 36 ALA C . 15677 1 430 . 1 1 36 36 ALA CA C 13 52.551 0.100 . 1 . . . . 36 ALA CA . 15677 1 431 . 1 1 36 36 ALA CB C 13 19.485 0.100 . 1 . . . . 36 ALA CB . 15677 1 432 . 1 1 36 36 ALA N N 15 124.605 0.160 . 1 . . . . 36 ALA N . 15677 1 433 . 1 1 37 37 ALA H H 1 8.199 0.010 . 1 . . . . 37 ALA H . 15677 1 434 . 1 1 37 37 ALA HA H 1 4.491 0.010 . 1 . . . . 37 ALA HA . 15677 1 435 . 1 1 37 37 ALA HB1 H 1 1.353 0.010 . 1 . . . . 37 ALA QB . 15677 1 436 . 1 1 37 37 ALA HB2 H 1 1.353 0.010 . 1 . . . . 37 ALA QB . 15677 1 437 . 1 1 37 37 ALA HB3 H 1 1.353 0.010 . 1 . . . . 37 ALA QB . 15677 1 438 . 1 1 37 37 ALA C C 13 177.456 0.100 . 1 . . . . 37 ALA C . 15677 1 439 . 1 1 37 37 ALA CA C 13 52.453 0.100 . 1 . . . . 37 ALA CA . 15677 1 440 . 1 1 37 37 ALA CB C 13 19.060 0.100 . 1 . . . . 37 ALA CB . 15677 1 441 . 1 1 37 37 ALA N N 15 123.695 0.039 . 1 . . . . 37 ALA N . 15677 1 442 . 1 1 38 38 LEU H H 1 8.099 0.005 . 1 . . . . 38 LEU H . 15677 1 443 . 1 1 38 38 LEU HA H 1 4.243 0.010 . 1 . . . . 38 LEU HA . 15677 1 444 . 1 1 38 38 LEU HB2 H 1 1.537 0.010 . 2 . . . . 38 LEU QB . 15677 1 445 . 1 1 38 38 LEU HB3 H 1 1.537 0.010 . 2 . . . . 38 LEU QB . 15677 1 446 . 1 1 38 38 LEU HD11 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 447 . 1 1 38 38 LEU HD12 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 448 . 1 1 38 38 LEU HD13 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 449 . 1 1 38 38 LEU HD21 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 450 . 1 1 38 38 LEU HD22 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 451 . 1 1 38 38 LEU HD23 H 1 0.840 0.010 . 2 . . . . 38 LEU QQD . 15677 1 452 . 1 1 38 38 LEU HG H 1 1.533 0.010 . 1 . . . . 38 LEU HG . 15677 1 453 . 1 1 38 38 LEU C C 13 177.358 0.100 . 1 . . . . 38 LEU C . 15677 1 454 . 1 1 38 38 LEU CA C 13 55.218 0.100 . 1 . . . . 38 LEU CA . 15677 1 455 . 1 1 38 38 LEU CB C 13 42.228 0.100 . 1 . . . . 38 LEU CB . 15677 1 456 . 1 1 38 38 LEU CD1 C 13 24.475 0.100 . 1 . . . . 38 LEU CD1 . 15677 1 457 . 1 1 38 38 LEU CD2 C 13 24.475 0.100 . 1 . . . . 38 LEU CD2 . 15677 1 458 . 1 1 38 38 LEU CG C 13 26.872 0.100 . 1 . . . . 38 LEU CG . 15677 1 459 . 1 1 38 38 LEU N N 15 121.531 0.076 . 1 . . . . 38 LEU N . 15677 1 460 . 1 1 39 39 ILE H H 1 7.966 0.001 . 1 . . . . 39 ILE H . 15677 1 461 . 1 1 39 39 ILE HA H 1 4.136 0.010 . 1 . . . . 39 ILE HA . 15677 1 462 . 1 1 39 39 ILE HB H 1 1.691 0.010 . 1 . . . . 39 ILE HB . 15677 1 463 . 1 1 39 39 ILE HD11 H 1 0.839 0.010 . 1 . . . . 39 ILE QD1 . 15677 1 464 . 1 1 39 39 ILE HD12 H 1 0.839 0.010 . 1 . . . . 39 ILE QD1 . 15677 1 465 . 1 1 39 39 ILE HD13 H 1 0.839 0.010 . 1 . . . . 39 ILE QD1 . 15677 1 466 . 1 1 39 39 ILE HG12 H 1 0.673 0.010 . 2 . . . . 39 ILE QG1 . 15677 1 467 . 1 1 39 39 ILE HG13 H 1 0.673 0.010 . 2 . . . . 39 ILE QG1 . 15677 1 468 . 1 1 39 39 ILE HG21 H 1 0.649 0.010 . 1 . . . . 39 ILE QG2 . 15677 1 469 . 1 1 39 39 ILE HG22 H 1 0.649 0.010 . 1 . . . . 39 ILE QG2 . 15677 1 470 . 1 1 39 39 ILE HG23 H 1 0.649 0.010 . 1 . . . . 39 ILE QG2 . 15677 1 471 . 1 1 39 39 ILE C C 13 175.586 0.100 . 1 . . . . 39 ILE C . 15677 1 472 . 1 1 39 39 ILE CA C 13 60.873 0.100 . 1 . . . . 39 ILE CA . 15677 1 473 . 1 1 39 39 ILE CB C 13 38.727 0.100 . 1 . . . . 39 ILE CB . 15677 1 474 . 1 1 39 39 ILE CD1 C 13 12.898 0.100 . 1 . . . . 39 ILE CD1 . 15677 1 475 . 1 1 39 39 ILE CG1 C 13 27.261 0.100 . 1 . . . . 39 ILE CG1 . 15677 1 476 . 1 1 39 39 ILE CG2 C 13 17.349 0.100 . 1 . . . . 39 ILE CG2 . 15677 1 477 . 1 1 39 39 ILE N N 15 121.669 0.013 . 1 . . . . 39 ILE N . 15677 1 478 . 1 1 40 40 SER H H 1 8.101 0.001 . 1 . . . . 40 SER H . 15677 1 479 . 1 1 40 40 SER HA H 1 4.347 0.010 . 1 . . . . 40 SER HA . 15677 1 480 . 1 1 40 40 SER HB2 H 1 3.636 0.010 . 2 . . . . 40 SER QB . 15677 1 481 . 1 1 40 40 SER HB3 H 1 3.636 0.010 . 2 . . . . 40 SER QB . 15677 1 482 . 1 1 40 40 SER C C 13 173.336 0.100 . 1 . . . . 40 SER C . 15677 1 483 . 1 1 40 40 SER CA C 13 57.331 0.100 . 1 . . . . 40 SER CA . 15677 1 484 . 1 1 40 40 SER CB C 13 63.983 0.100 . 1 . . . . 40 SER CB . 15677 1 485 . 1 1 40 40 SER N N 15 119.591 0.008 . 1 . . . . 40 SER N . 15677 1 486 . 1 1 41 41 TYR H H 1 8.100 0.010 . 1 . . . . 41 TYR H . 15677 1 487 . 1 1 41 41 TYR HA H 1 4.436 0.010 . 1 . . . . 41 TYR HA . 15677 1 488 . 1 1 41 41 TYR HB2 H 1 3.035 0.010 . 1 . . . . 41 TYR HB2 . 15677 1 489 . 1 1 41 41 TYR HB3 H 1 2.727 0.010 . 1 . . . . 41 TYR HB3 . 15677 1 490 . 1 1 41 41 TYR HD1 H 1 7.000 0.010 . 3 . . . . 41 TYR QR . 15677 1 491 . 1 1 41 41 TYR HD2 H 1 7.000 0.010 . 3 . . . . 41 TYR QR . 15677 1 492 . 1 1 41 41 TYR HE1 H 1 7.000 0.010 . 3 . . . . 41 TYR QR . 15677 1 493 . 1 1 41 41 TYR HE2 H 1 7.000 0.010 . 3 . . . . 41 TYR QR . 15677 1 494 . 1 1 41 41 TYR CA C 13 56.067 0.100 . 1 . . . . 41 TYR CA . 15677 1 495 . 1 1 41 41 TYR CB C 13 38.244 0.100 . 1 . . . . 41 TYR CB . 15677 1 496 . 1 1 41 41 TYR N N 15 122.744 0.100 . 1 . . . . 41 TYR N . 15677 1 497 . 1 1 42 42 PRO HA H 1 4.281 0.010 . 1 . . . . 42 PRO HA . 15677 1 498 . 1 1 42 42 PRO HB2 H 1 2.155 0.010 . 2 . . . . 42 PRO QB . 15677 1 499 . 1 1 42 42 PRO HB3 H 1 2.155 0.010 . 2 . . . . 42 PRO QB . 15677 1 500 . 1 1 42 42 PRO HD2 H 1 3.650 0.010 . 1 . . . . 42 PRO HD2 . 15677 1 501 . 1 1 42 42 PRO HD3 H 1 3.508 0.010 . 1 . . . . 42 PRO HD3 . 15677 1 502 . 1 1 42 42 PRO HG2 H 1 1.876 0.010 . 2 . . . . 42 PRO QG . 15677 1 503 . 1 1 42 42 PRO HG3 H 1 1.876 0.010 . 2 . . . . 42 PRO QG . 15677 1 504 . 1 1 42 42 PRO C C 13 176.765 0.100 . 1 . . . . 42 PRO C . 15677 1 505 . 1 1 42 42 PRO CA C 13 63.650 0.100 . 1 . . . . 42 PRO CA . 15677 1 506 . 1 1 42 42 PRO CB C 13 30.513 0.100 . 1 . . . . 42 PRO CB . 15677 1 507 . 1 1 42 42 PRO CD C 13 50.520 0.100 . 1 . . . . 42 PRO CD . 15677 1 508 . 1 1 42 42 PRO CG C 13 27.384 0.100 . 1 . . . . 42 PRO CG . 15677 1 509 . 1 1 43 43 ASP H H 1 8.305 0.001 . 1 . . . . 43 ASP H . 15677 1 510 . 1 1 43 43 ASP HA H 1 4.548 0.001 . 1 . . . . 43 ASP HA . 15677 1 511 . 1 1 43 43 ASP HB2 H 1 2.904 0.010 . 1 . . . . 43 ASP HB2 . 15677 1 512 . 1 1 43 43 ASP HB3 H 1 2.752 0.014 . 1 . . . . 43 ASP HB3 . 15677 1 513 . 1 1 43 43 ASP C C 13 175.135 0.100 . 1 . . . . 43 ASP C . 15677 1 514 . 1 1 43 43 ASP CA C 13 53.570 0.100 . 1 . . . . 43 ASP CA . 15677 1 515 . 1 1 43 43 ASP CB C 13 38.450 0.100 . 1 . . . . 43 ASP CB . 15677 1 516 . 1 1 43 43 ASP N N 15 118.052 0.055 . 1 . . . . 43 ASP N . 15677 1 517 . 1 1 44 44 ALA H H 1 8.013 0.002 . 1 . . . . 44 ALA H . 15677 1 518 . 1 1 44 44 ALA HA H 1 4.106 0.004 . 1 . . . . 44 ALA HA . 15677 1 519 . 1 1 44 44 ALA HB1 H 1 1.206 0.002 . 1 . . . . 44 ALA QB . 15677 1 520 . 1 1 44 44 ALA HB2 H 1 1.206 0.002 . 1 . . . . 44 ALA QB . 15677 1 521 . 1 1 44 44 ALA HB3 H 1 1.206 0.002 . 1 . . . . 44 ALA QB . 15677 1 522 . 1 1 44 44 ALA C C 13 177.969 0.100 . 1 . . . . 44 ALA C . 15677 1 523 . 1 1 44 44 ALA CA C 13 52.867 0.100 . 1 . . . . 44 ALA CA . 15677 1 524 . 1 1 44 44 ALA CB C 13 19.023 0.100 . 1 . . . . 44 ALA CB . 15677 1 525 . 1 1 44 44 ALA N N 15 123.344 0.004 . 1 . . . . 44 ALA N . 15677 1 526 . 1 1 45 45 ILE H H 1 7.860 0.002 . 1 . . . . 45 ILE H . 15677 1 527 . 1 1 45 45 ILE HA H 1 3.855 0.010 . 1 . . . . 45 ILE HA . 15677 1 528 . 1 1 45 45 ILE HB H 1 1.593 0.010 . 1 . . . . 45 ILE HB . 15677 1 529 . 1 1 45 45 ILE HD11 H 1 0.464 0.010 . 1 . . . . 45 ILE QD1 . 15677 1 530 . 1 1 45 45 ILE HD12 H 1 0.464 0.010 . 1 . . . . 45 ILE QD1 . 15677 1 531 . 1 1 45 45 ILE HD13 H 1 0.464 0.010 . 1 . . . . 45 ILE QD1 . 15677 1 532 . 1 1 45 45 ILE HG12 H 1 0.955 0.010 . 2 . . . . 45 ILE QG1 . 15677 1 533 . 1 1 45 45 ILE HG13 H 1 0.955 0.010 . 2 . . . . 45 ILE QG1 . 15677 1 534 . 1 1 45 45 ILE HG21 H 1 0.688 0.010 . 1 . . . . 45 ILE QG2 . 15677 1 535 . 1 1 45 45 ILE HG22 H 1 0.688 0.010 . 1 . . . . 45 ILE QG2 . 15677 1 536 . 1 1 45 45 ILE HG23 H 1 0.688 0.010 . 1 . . . . 45 ILE QG2 . 15677 1 537 . 1 1 45 45 ILE C C 13 176.287 0.100 . 1 . . . . 45 ILE C . 15677 1 538 . 1 1 45 45 ILE CA C 13 61.465 0.100 . 1 . . . . 45 ILE CA . 15677 1 539 . 1 1 45 45 ILE CB C 13 38.294 0.100 . 1 . . . . 45 ILE CB . 15677 1 540 . 1 1 45 45 ILE CD1 C 13 12.870 0.100 . 1 . . . . 45 ILE CD1 . 15677 1 541 . 1 1 45 45 ILE CG1 C 13 27.244 0.100 . 1 . . . . 45 ILE CG1 . 15677 1 542 . 1 1 45 45 ILE CG2 C 13 17.061 0.100 . 1 . . . . 45 ILE CG2 . 15677 1 543 . 1 1 45 45 ILE N N 15 118.636 0.058 . 1 . . . . 45 ILE N . 15677 1 544 . 1 1 46 46 TRP H H 1 7.646 0.007 . 1 . . . . 46 TRP H . 15677 1 545 . 1 1 46 46 TRP HA H 1 4.504 0.010 . 1 . . . . 46 TRP HA . 15677 1 546 . 1 1 46 46 TRP HB2 H 1 3.130 0.010 . 2 . . . . 46 TRP QB . 15677 1 547 . 1 1 46 46 TRP HB3 H 1 3.130 0.010 . 2 . . . . 46 TRP QB . 15677 1 548 . 1 1 46 46 TRP HD1 H 1 7.075 0.010 . 1 . . . . 46 TRP HD1 . 15677 1 549 . 1 1 46 46 TRP HE1 H 1 10.076 0.002 . 1 . . . . 46 TRP HE1 . 15677 1 550 . 1 1 46 46 TRP HE3 H 1 7.384 0.010 . 1 . . . . 46 TRP HE3 . 15677 1 551 . 1 1 46 46 TRP HH2 H 1 7.046 0.010 . 1 . . . . 46 TRP HH2 . 15677 1 552 . 1 1 46 46 TRP HZ2 H 1 7.367 0.010 . 1 . . . . 46 TRP HZ2 . 15677 1 553 . 1 1 46 46 TRP HZ3 H 1 7.075 0.010 . 1 . . . . 46 TRP HZ3 . 15677 1 554 . 1 1 46 46 TRP C C 13 176.136 0.100 . 1 . . . . 46 TRP C . 15677 1 555 . 1 1 46 46 TRP CA C 13 57.139 0.100 . 1 . . . . 46 TRP CA . 15677 1 556 . 1 1 46 46 TRP CB C 13 28.880 0.100 . 1 . . . . 46 TRP CB . 15677 1 557 . 1 1 46 46 TRP CZ2 C 13 114.596 0.100 . 1 . . . . 46 TRP CZ2 . 15677 1 558 . 1 1 46 46 TRP N N 15 122.947 0.025 . 1 . . . . 46 TRP N . 15677 1 559 . 1 1 46 46 TRP NE1 N 15 129.459 0.013 . 1 . . . . 46 TRP NE1 . 15677 1 560 . 1 1 47 47 TRP H H 1 7.502 0.002 . 1 . . . . 47 TRP H . 15677 1 561 . 1 1 47 47 TRP HA H 1 4.482 0.014 . 1 . . . . 47 TRP HA . 15677 1 562 . 1 1 47 47 TRP HB2 H 1 2.987 0.002 . 1 . . . . 47 TRP HB2 . 15677 1 563 . 1 1 47 47 TRP HB3 H 1 3.128 0.010 . 1 . . . . 47 TRP HB3 . 15677 1 564 . 1 1 47 47 TRP HD1 H 1 6.946 0.010 . 1 . . . . 47 TRP HD1 . 15677 1 565 . 1 1 47 47 TRP HE1 H 1 9.987 0.002 . 1 . . . . 47 TRP HE1 . 15677 1 566 . 1 1 47 47 TRP HE3 H 1 7.143 0.010 . 1 . . . . 47 TRP HE3 . 15677 1 567 . 1 1 47 47 TRP HH2 H 1 7.320 0.010 . 1 . . . . 47 TRP HH2 . 15677 1 568 . 1 1 47 47 TRP HZ2 H 1 7.347 0.010 . 1 . . . . 47 TRP HZ2 . 15677 1 569 . 1 1 47 47 TRP HZ3 H 1 6.826 0.010 . 1 . . . . 47 TRP HZ3 . 15677 1 570 . 1 1 47 47 TRP C C 13 176.149 0.100 . 1 . . . . 47 TRP C . 15677 1 571 . 1 1 47 47 TRP CA C 13 57.197 0.100 . 1 . . . . 47 TRP CA . 15677 1 572 . 1 1 47 47 TRP CB C 13 29.703 0.100 . 1 . . . . 47 TRP CB . 15677 1 573 . 1 1 47 47 TRP N N 15 120.943 0.023 . 1 . . . . 47 TRP N . 15677 1 574 . 1 1 47 47 TRP NE1 N 15 129.409 0.021 . 1 . . . . 47 TRP NE1 . 15677 1 575 . 1 1 48 48 SER H H 1 7.861 0.001 . 1 . . . . 48 SER H . 15677 1 576 . 1 1 48 48 SER HA H 1 4.258 0.010 . 1 . . . . 48 SER HA . 15677 1 577 . 1 1 48 48 SER HB2 H 1 3.694 0.020 . 2 . . . . 48 SER QB . 15677 1 578 . 1 1 48 48 SER HB3 H 1 3.694 0.020 . 2 . . . . 48 SER QB . 15677 1 579 . 1 1 48 48 SER C C 13 174.600 0.100 . 1 . . . . 48 SER C . 15677 1 580 . 1 1 48 48 SER CA C 13 57.844 0.100 . 1 . . . . 48 SER CA . 15677 1 581 . 1 1 48 48 SER CB C 13 64.102 0.100 . 1 . . . . 48 SER CB . 15677 1 582 . 1 1 48 48 SER N N 15 116.339 0.029 . 1 . . . . 48 SER N . 15677 1 583 . 1 1 49 49 VAL H H 1 7.921 0.002 . 1 . . . . 49 VAL H . 15677 1 584 . 1 1 49 49 VAL HA H 1 3.990 0.010 . 1 . . . . 49 VAL HA . 15677 1 585 . 1 1 49 49 VAL HB H 1 2.015 0.010 . 1 . . . . 49 VAL HB . 15677 1 586 . 1 1 49 49 VAL HG11 H 1 0.849 0.004 . 2 . . . . 49 VAL QG1 . 15677 1 587 . 1 1 49 49 VAL HG12 H 1 0.849 0.004 . 2 . . . . 49 VAL QG1 . 15677 1 588 . 1 1 49 49 VAL HG13 H 1 0.849 0.004 . 2 . . . . 49 VAL QG1 . 15677 1 589 . 1 1 49 49 VAL HG21 H 1 0.837 0.001 . 2 . . . . 49 VAL QG2 . 15677 1 590 . 1 1 49 49 VAL HG22 H 1 0.837 0.001 . 2 . . . . 49 VAL QG2 . 15677 1 591 . 1 1 49 49 VAL HG23 H 1 0.837 0.001 . 2 . . . . 49 VAL QG2 . 15677 1 592 . 1 1 49 49 VAL C C 13 176.402 0.100 . 1 . . . . 49 VAL C . 15677 1 593 . 1 1 49 49 VAL CA C 13 62.909 0.100 . 1 . . . . 49 VAL CA . 15677 1 594 . 1 1 49 49 VAL CB C 13 32.467 0.100 . 1 . . . . 49 VAL CB . 15677 1 595 . 1 1 49 49 VAL CG1 C 13 20.946 0.100 . 1 . . . . 49 VAL CG1 . 15677 1 596 . 1 1 49 49 VAL CG2 C 13 20.946 0.100 . 1 . . . . 49 VAL CG2 . 15677 1 597 . 1 1 49 49 VAL N N 15 121.079 0.028 . 1 . . . . 49 VAL N . 15677 1 598 . 1 1 50 50 GLU H H 1 8.229 0.002 . 1 . . . . 50 GLU H . 15677 1 599 . 1 1 50 50 GLU HA H 1 4.307 0.010 . 1 . . . . 50 GLU HA . 15677 1 600 . 1 1 50 50 GLU HB2 H 1 1.824 0.010 . 2 . . . . 50 GLU QB . 15677 1 601 . 1 1 50 50 GLU HB3 H 1 1.824 0.010 . 2 . . . . 50 GLU QB . 15677 1 602 . 1 1 50 50 GLU HG2 H 1 2.298 0.004 . 2 . . . . 50 GLU QG . 15677 1 603 . 1 1 50 50 GLU HG3 H 1 2.298 0.004 . 2 . . . . 50 GLU QG . 15677 1 604 . 1 1 50 50 GLU C C 13 176.506 0.100 . 1 . . . . 50 GLU C . 15677 1 605 . 1 1 50 50 GLU CA C 13 57.040 0.100 . 1 . . . . 50 GLU CA . 15677 1 606 . 1 1 50 50 GLU CB C 13 30.123 0.100 . 1 . . . . 50 GLU CB . 15677 1 607 . 1 1 50 50 GLU CG C 13 33.000 0.100 . 1 . . . . 50 GLU CG . 15677 1 608 . 1 1 50 50 GLU N N 15 122.433 0.013 . 1 . . . . 50 GLU N . 15677 1 609 . 1 1 51 51 THR H H 1 7.993 0.002 . 1 . . . . 51 THR H . 15677 1 610 . 1 1 51 51 THR HA H 1 4.248 0.010 . 1 . . . . 51 THR HA . 15677 1 611 . 1 1 51 51 THR HB H 1 4.180 0.010 . 1 . . . . 51 THR HB . 15677 1 612 . 1 1 51 51 THR HG21 H 1 1.072 0.010 . 1 . . . . 51 THR QG2 . 15677 1 613 . 1 1 51 51 THR HG22 H 1 1.072 0.010 . 1 . . . . 51 THR QG2 . 15677 1 614 . 1 1 51 51 THR HG23 H 1 1.072 0.010 . 1 . . . . 51 THR QG2 . 15677 1 615 . 1 1 51 51 THR C C 13 174.430 0.100 . 1 . . . . 51 THR C . 15677 1 616 . 1 1 51 51 THR CA C 13 62.227 0.100 . 1 . . . . 51 THR CA . 15677 1 617 . 1 1 51 51 THR CB C 13 69.712 0.100 . 1 . . . . 51 THR CB . 15677 1 618 . 1 1 51 51 THR CG2 C 13 21.500 0.100 . 1 . . . . 51 THR CG2 . 15677 1 619 . 1 1 51 51 THR N N 15 114.413 0.021 . 1 . . . . 51 THR N . 15677 1 620 . 1 1 52 52 ALA H H 1 8.160 0.009 . 1 . . . . 52 ALA H . 15677 1 621 . 1 1 52 52 ALA HA H 1 4.212 0.010 . 1 . . . . 52 ALA HA . 15677 1 622 . 1 1 52 52 ALA HB1 H 1 1.334 0.005 . 1 . . . . 52 ALA QB . 15677 1 623 . 1 1 52 52 ALA HB2 H 1 1.334 0.005 . 1 . . . . 52 ALA QB . 15677 1 624 . 1 1 52 52 ALA HB3 H 1 1.334 0.005 . 1 . . . . 52 ALA QB . 15677 1 625 . 1 1 52 52 ALA C C 13 177.976 0.100 . 1 . . . . 52 ALA C . 15677 1 626 . 1 1 52 52 ALA CA C 13 53.069 0.100 . 1 . . . . 52 ALA CA . 15677 1 627 . 1 1 52 52 ALA CB C 13 19.178 0.100 . 1 . . . . 52 ALA CB . 15677 1 628 . 1 1 52 52 ALA N N 15 125.641 0.040 . 1 . . . . 52 ALA N . 15677 1 629 . 1 1 53 53 THR H H 1 8.022 0.002 . 1 . . . . 53 THR H . 15677 1 630 . 1 1 53 53 THR HA H 1 4.231 0.010 . 1 . . . . 53 THR HA . 15677 1 631 . 1 1 53 53 THR HB H 1 4.154 0.010 . 1 . . . . 53 THR HB . 15677 1 632 . 1 1 53 53 THR HG21 H 1 1.122 0.010 . 1 . . . . 53 THR QG2 . 15677 1 633 . 1 1 53 53 THR HG22 H 1 1.122 0.010 . 1 . . . . 53 THR QG2 . 15677 1 634 . 1 1 53 53 THR HG23 H 1 1.122 0.010 . 1 . . . . 53 THR QG2 . 15677 1 635 . 1 1 53 53 THR C C 13 174.750 0.100 . 1 . . . . 53 THR C . 15677 1 636 . 1 1 53 53 THR CA C 13 62.231 0.100 . 1 . . . . 53 THR CA . 15677 1 637 . 1 1 53 53 THR CB C 13 69.726 0.100 . 1 . . . . 53 THR CB . 15677 1 638 . 1 1 53 53 THR CG2 C 13 21.500 0.100 . 1 . . . . 53 THR CG2 . 15677 1 639 . 1 1 53 53 THR N N 15 112.100 0.014 . 1 . . . . 53 THR N . 15677 1 640 . 1 1 54 54 THR H H 1 7.999 0.001 . 1 . . . . 54 THR H . 15677 1 641 . 1 1 54 54 THR HA H 1 4.303 0.010 . 1 . . . . 54 THR HA . 15677 1 642 . 1 1 54 54 THR HB H 1 4.176 0.002 . 1 . . . . 54 THR HB . 15677 1 643 . 1 1 54 54 THR HG21 H 1 1.113 0.010 . 1 . . . . 54 THR QG2 . 15677 1 644 . 1 1 54 54 THR HG22 H 1 1.113 0.010 . 1 . . . . 54 THR QG2 . 15677 1 645 . 1 1 54 54 THR HG23 H 1 1.113 0.010 . 1 . . . . 54 THR QG2 . 15677 1 646 . 1 1 54 54 THR C C 13 174.592 0.100 . 1 . . . . 54 THR C . 15677 1 647 . 1 1 54 54 THR CA C 13 62.002 0.100 . 1 . . . . 54 THR CA . 15677 1 648 . 1 1 54 54 THR CB C 13 69.793 0.100 . 1 . . . . 54 THR CB . 15677 1 649 . 1 1 54 54 THR CG2 C 13 21.500 0.100 . 1 . . . . 54 THR CG2 . 15677 1 650 . 1 1 54 54 THR N N 15 116.238 0.030 . 1 . . . . 54 THR N . 15677 1 651 . 1 1 55 55 VAL H H 1 8.098 0.001 . 1 . . . . 55 VAL H . 15677 1 652 . 1 1 55 55 VAL HA H 1 4.017 0.008 . 1 . . . . 55 VAL HA . 15677 1 653 . 1 1 55 55 VAL HB H 1 1.963 0.001 . 1 . . . . 55 VAL HB . 15677 1 654 . 1 1 55 55 VAL HG11 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 655 . 1 1 55 55 VAL HG12 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 656 . 1 1 55 55 VAL HG13 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 657 . 1 1 55 55 VAL HG21 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 658 . 1 1 55 55 VAL HG22 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 659 . 1 1 55 55 VAL HG23 H 1 0.839 0.001 . 2 . . . . 55 VAL QQG . 15677 1 660 . 1 1 55 55 VAL C C 13 176.453 0.100 . 1 . . . . 55 VAL C . 15677 1 661 . 1 1 55 55 VAL CA C 13 62.650 0.100 . 1 . . . . 55 VAL CA . 15677 1 662 . 1 1 55 55 VAL CB C 13 32.524 0.100 . 1 . . . . 55 VAL CB . 15677 1 663 . 1 1 55 55 VAL CG1 C 13 20.950 0.100 . 1 . . . . 55 VAL CG1 . 15677 1 664 . 1 1 55 55 VAL CG2 C 13 20.950 0.100 . 1 . . . . 55 VAL CG2 . 15677 1 665 . 1 1 55 55 VAL N N 15 122.445 0.046 . 1 . . . . 55 VAL N . 15677 1 666 . 1 1 56 56 GLY H H 1 8.308 0.002 . 1 . . . . 56 GLY H . 15677 1 667 . 1 1 56 56 GLY HA2 H 1 3.839 0.010 . 1 . . . . 56 GLY HA2 . 15677 1 668 . 1 1 56 56 GLY HA3 H 1 4.019 0.010 . 1 . . . . 56 GLY HA3 . 15677 1 669 . 1 1 56 56 GLY C C 13 173.958 0.100 . 1 . . . . 56 GLY C . 15677 1 670 . 1 1 56 56 GLY CA C 13 45.216 0.100 . 1 . . . . 56 GLY CA . 15677 1 671 . 1 1 56 56 GLY N N 15 112.118 0.059 . 1 . . . . 56 GLY N . 15677 1 672 . 1 1 57 57 TYR H H 1 8.051 0.009 . 1 . . . . 57 TYR H . 15677 1 673 . 1 1 57 57 TYR HA H 1 4.402 0.009 . 1 . . . . 57 TYR HA . 15677 1 674 . 1 1 57 57 TYR HB2 H 1 2.878 0.004 . 1 . . . . 57 TYR HB2 . 15677 1 675 . 1 1 57 57 TYR HB3 H 1 3.047 0.010 . 1 . . . . 57 TYR HB3 . 15677 1 676 . 1 1 57 57 TYR HD1 H 1 7.008 0.008 . 3 . . . . 57 TYR QD . 15677 1 677 . 1 1 57 57 TYR HD2 H 1 7.008 0.008 . 3 . . . . 57 TYR QD . 15677 1 678 . 1 1 57 57 TYR HE1 H 1 6.724 0.010 . 3 . . . . 57 TYR QE . 15677 1 679 . 1 1 57 57 TYR HE2 H 1 6.724 0.010 . 3 . . . . 57 TYR QE . 15677 1 680 . 1 1 57 57 TYR C C 13 176.557 0.100 . 1 . . . . 57 TYR C . 15677 1 681 . 1 1 57 57 TYR CA C 13 58.251 0.100 . 1 . . . . 57 TYR CA . 15677 1 682 . 1 1 57 57 TYR CB C 13 38.935 0.100 . 1 . . . . 57 TYR CB . 15677 1 683 . 1 1 57 57 TYR N N 15 120.259 0.077 . 1 . . . . 57 TYR N . 15677 1 684 . 1 1 58 58 GLY H H 1 8.335 0.002 . 1 . . . . 58 GLY H . 15677 1 685 . 1 1 58 58 GLY HA2 H 1 3.801 0.010 . 2 . . . . 58 GLY QA . 15677 1 686 . 1 1 58 58 GLY HA3 H 1 3.801 0.010 . 2 . . . . 58 GLY QA . 15677 1 687 . 1 1 58 58 GLY C C 13 173.911 0.100 . 1 . . . . 58 GLY C . 15677 1 688 . 1 1 58 58 GLY CA C 13 45.311 0.100 . 1 . . . . 58 GLY CA . 15677 1 689 . 1 1 58 58 GLY N N 15 110.220 0.053 . 1 . . . . 58 GLY N . 15677 1 690 . 1 1 59 59 ASP H H 1 8.161 0.010 . 1 . . . . 59 ASP H . 15677 1 691 . 1 1 59 59 ASP HA H 1 4.581 0.010 . 1 . . . . 59 ASP HA . 15677 1 692 . 1 1 59 59 ASP HB2 H 1 2.736 0.003 . 2 . . . . 59 ASP QB . 15677 1 693 . 1 1 59 59 ASP HB3 H 1 2.736 0.003 . 2 . . . . 59 ASP QB . 15677 1 694 . 1 1 59 59 ASP C C 13 175.189 0.100 . 1 . . . . 59 ASP C . 15677 1 695 . 1 1 59 59 ASP CA C 13 53.570 0.100 . 1 . . . . 59 ASP CA . 15677 1 696 . 1 1 59 59 ASP CB C 13 38.750 0.100 . 1 . . . . 59 ASP CB . 15677 1 697 . 1 1 59 59 ASP N N 15 118.765 0.018 . 1 . . . . 59 ASP N . 15677 1 698 . 1 1 60 60 ARG H H 1 8.086 0.001 . 1 . . . . 60 ARG H . 15677 1 699 . 1 1 60 60 ARG HA H 1 4.152 0.010 . 1 . . . . 60 ARG HA . 15677 1 700 . 1 1 60 60 ARG HB2 H 1 1.940 0.010 . 2 . . . . 60 ARG QB . 15677 1 701 . 1 1 60 60 ARG HB3 H 1 1.940 0.010 . 2 . . . . 60 ARG QB . 15677 1 702 . 1 1 60 60 ARG HD2 H 1 3.216 0.010 . 2 . . . . 60 ARG QD . 15677 1 703 . 1 1 60 60 ARG HD3 H 1 3.216 0.010 . 2 . . . . 60 ARG QD . 15677 1 704 . 1 1 60 60 ARG HE H 1 6.993 0.010 . 1 . . . . 60 ARG HE . 15677 1 705 . 1 1 60 60 ARG HG2 H 1 1.558 0.010 . 2 . . . . 60 ARG QG . 15677 1 706 . 1 1 60 60 ARG HG3 H 1 1.558 0.010 . 2 . . . . 60 ARG QG . 15677 1 707 . 1 1 60 60 ARG HH11 H 1 6.373 0.010 . 2 . . . . 60 ARG QH1 . 15677 1 708 . 1 1 60 60 ARG HH12 H 1 6.373 0.010 . 2 . . . . 60 ARG QH1 . 15677 1 709 . 1 1 60 60 ARG HH21 H 1 6.652 0.010 . 2 . . . . 60 ARG QH2 . 15677 1 710 . 1 1 60 60 ARG HH22 H 1 6.652 0.010 . 2 . . . . 60 ARG QH2 . 15677 1 711 . 1 1 60 60 ARG C C 13 176.603 0.100 . 1 . . . . 60 ARG C . 15677 1 712 . 1 1 60 60 ARG CA C 13 56.825 0.100 . 1 . . . . 60 ARG CA . 15677 1 713 . 1 1 60 60 ARG CB C 13 30.935 0.100 . 1 . . . . 60 ARG CB . 15677 1 714 . 1 1 60 60 ARG CD C 13 43.200 0.100 . 1 . . . . 60 ARG CD . 15677 1 715 . 1 1 60 60 ARG CG C 13 27.165 0.100 . 1 . . . . 60 ARG CG . 15677 1 716 . 1 1 60 60 ARG N N 15 120.762 0.016 . 1 . . . . 60 ARG N . 15677 1 717 . 1 1 60 60 ARG NE N 15 108.550 0.100 . 1 . . . . 60 ARG NE . 15677 1 718 . 1 1 61 61 TYR H H 1 8.117 0.010 . 1 . . . . 61 TYR H . 15677 1 719 . 1 1 61 61 TYR HA H 1 4.488 0.010 . 1 . . . . 61 TYR HA . 15677 1 720 . 1 1 61 61 TYR HB2 H 1 3.052 0.010 . 2 . . . . 61 TYR QB . 15677 1 721 . 1 1 61 61 TYR HB3 H 1 3.052 0.010 . 2 . . . . 61 TYR QB . 15677 1 722 . 1 1 61 61 TYR HD1 H 1 7.000 0.010 . 3 . . . . 61 TYR QR . 15677 1 723 . 1 1 61 61 TYR HD2 H 1 7.000 0.010 . 3 . . . . 61 TYR QR . 15677 1 724 . 1 1 61 61 TYR HE1 H 1 7.000 0.010 . 3 . . . . 61 TYR QR . 15677 1 725 . 1 1 61 61 TYR HE2 H 1 7.000 0.010 . 3 . . . . 61 TYR QR . 15677 1 726 . 1 1 61 61 TYR CA C 13 56.688 0.100 . 1 . . . . 61 TYR CA . 15677 1 727 . 1 1 61 61 TYR CB C 13 39.582 0.100 . 1 . . . . 61 TYR CB . 15677 1 728 . 1 1 61 61 TYR N N 15 121.714 0.100 . 1 . . . . 61 TYR N . 15677 1 729 . 1 1 62 62 PRO HA H 1 4.383 0.010 . 1 . . . . 62 PRO HA . 15677 1 730 . 1 1 62 62 PRO HB2 H 1 2.280 0.010 . 2 . . . . 62 PRO QB . 15677 1 731 . 1 1 62 62 PRO HB3 H 1 2.280 0.010 . 2 . . . . 62 PRO QB . 15677 1 732 . 1 1 62 62 PRO HD2 H 1 3.758 0.010 . 2 . . . . 62 PRO QD . 15677 1 733 . 1 1 62 62 PRO HD3 H 1 3.758 0.010 . 2 . . . . 62 PRO QD . 15677 1 734 . 1 1 62 62 PRO HG2 H 1 2.158 0.010 . 2 . . . . 62 PRO QG . 15677 1 735 . 1 1 62 62 PRO HG3 H 1 2.158 0.010 . 2 . . . . 62 PRO QG . 15677 1 736 . 1 1 62 62 PRO C C 13 177.441 0.100 . 1 . . . . 62 PRO C . 15677 1 737 . 1 1 62 62 PRO CA C 13 63.212 0.100 . 1 . . . . 62 PRO CA . 15677 1 738 . 1 1 62 62 PRO CB C 13 31.939 0.100 . 1 . . . . 62 PRO CB . 15677 1 739 . 1 1 62 62 PRO CD C 13 50.471 0.100 . 1 . . . . 62 PRO CD . 15677 1 740 . 1 1 62 62 PRO CG C 13 27.600 0.100 . 1 . . . . 62 PRO CG . 15677 1 741 . 1 1 63 63 VAL H H 1 8.217 0.001 . 1 . . . . 63 VAL H . 15677 1 742 . 1 1 63 63 VAL HA H 1 4.164 0.010 . 1 . . . . 63 VAL HA . 15677 1 743 . 1 1 63 63 VAL HB H 1 2.047 0.020 . 1 . . . . 63 VAL HB . 15677 1 744 . 1 1 63 63 VAL HG11 H 1 0.887 0.010 . 2 . . . . 63 VAL QG1 . 15677 1 745 . 1 1 63 63 VAL HG12 H 1 0.887 0.010 . 2 . . . . 63 VAL QG1 . 15677 1 746 . 1 1 63 63 VAL HG13 H 1 0.887 0.010 . 2 . . . . 63 VAL QG1 . 15677 1 747 . 1 1 63 63 VAL HG21 H 1 0.763 0.010 . 2 . . . . 63 VAL QG2 . 15677 1 748 . 1 1 63 63 VAL HG22 H 1 0.763 0.010 . 2 . . . . 63 VAL QG2 . 15677 1 749 . 1 1 63 63 VAL HG23 H 1 0.763 0.010 . 2 . . . . 63 VAL QG2 . 15677 1 750 . 1 1 63 63 VAL C C 13 176.576 0.100 . 1 . . . . 63 VAL C . 15677 1 751 . 1 1 63 63 VAL CA C 13 62.382 0.100 . 1 . . . . 63 VAL CA . 15677 1 752 . 1 1 63 63 VAL CB C 13 32.862 0.100 . 1 . . . . 63 VAL CB . 15677 1 753 . 1 1 63 63 VAL CG1 C 13 21.030 0.100 . 1 . . . . 63 VAL CG1 . 15677 1 754 . 1 1 63 63 VAL CG2 C 13 21.030 0.100 . 1 . . . . 63 VAL CG2 . 15677 1 755 . 1 1 63 63 VAL N N 15 120.316 0.021 . 1 . . . . 63 VAL N . 15677 1 756 . 1 1 64 64 THR H H 1 8.084 0.001 . 1 . . . . 64 THR H . 15677 1 757 . 1 1 64 64 THR HA H 1 4.313 0.010 . 1 . . . . 64 THR HA . 15677 1 758 . 1 1 64 64 THR HB H 1 4.110 0.010 . 1 . . . . 64 THR HB . 15677 1 759 . 1 1 64 64 THR HG21 H 1 1.136 0.002 . 1 . . . . 64 THR QG2 . 15677 1 760 . 1 1 64 64 THR HG22 H 1 1.136 0.002 . 1 . . . . 64 THR QG2 . 15677 1 761 . 1 1 64 64 THR HG23 H 1 1.136 0.002 . 1 . . . . 64 THR QG2 . 15677 1 762 . 1 1 64 64 THR C C 13 174.558 0.100 . 1 . . . . 64 THR C . 15677 1 763 . 1 1 64 64 THR CA C 13 62.606 0.100 . 1 . . . . 64 THR CA . 15677 1 764 . 1 1 64 64 THR CB C 13 70.496 0.100 . 1 . . . . 64 THR CB . 15677 1 765 . 1 1 64 64 THR CG2 C 13 21.500 0.100 . 1 . . . . 64 THR CG2 . 15677 1 766 . 1 1 64 64 THR N N 15 116.779 0.018 . 1 . . . . 64 THR N . 15677 1 767 . 1 1 65 65 GLU H H 1 8.404 0.011 . 1 . . . . 65 GLU H . 15677 1 768 . 1 1 65 65 GLU HA H 1 4.314 0.010 . 1 . . . . 65 GLU HA . 15677 1 769 . 1 1 65 65 GLU HB2 H 1 2.029 0.010 . 1 . . . . 65 GLU HB2 . 15677 1 770 . 1 1 65 65 GLU HB3 H 1 1.890 0.010 . 1 . . . . 65 GLU HB3 . 15677 1 771 . 1 1 65 65 GLU HG2 H 1 2.369 0.010 . 2 . . . . 65 GLU QG . 15677 1 772 . 1 1 65 65 GLU HG3 H 1 2.369 0.010 . 2 . . . . 65 GLU QG . 15677 1 773 . 1 1 65 65 GLU C C 13 175.016 0.100 . 1 . . . . 65 GLU C . 15677 1 774 . 1 1 65 65 GLU CA C 13 57.750 0.100 . 1 . . . . 65 GLU CA . 15677 1 775 . 1 1 65 65 GLU CB C 13 30.083 0.100 . 1 . . . . 65 GLU CB . 15677 1 776 . 1 1 65 65 GLU CG C 13 33.000 0.100 . 1 . . . . 65 GLU CG . 15677 1 777 . 1 1 65 65 GLU N N 15 122.323 0.063 . 1 . . . . 65 GLU N . 15677 1 778 . 1 1 66 66 GLU H H 1 8.397 0.010 . 1 . . . . 66 GLU H . 15677 1 779 . 1 1 66 66 GLU HA H 1 4.224 0.010 . 1 . . . . 66 GLU HA . 15677 1 780 . 1 1 66 66 GLU HB2 H 1 2.013 0.010 . 2 . . . . 66 GLU QB . 15677 1 781 . 1 1 66 66 GLU HB3 H 1 2.013 0.010 . 2 . . . . 66 GLU QB . 15677 1 782 . 1 1 66 66 GLU HG2 H 1 2.392 0.010 . 2 . . . . 66 GLU QG . 15677 1 783 . 1 1 66 66 GLU HG3 H 1 2.392 0.010 . 2 . . . . 66 GLU QG . 15677 1 784 . 1 1 66 66 GLU C C 13 176.855 0.100 . 1 . . . . 66 GLU C . 15677 1 785 . 1 1 66 66 GLU CA C 13 58.023 0.100 . 1 . . . . 66 GLU CA . 15677 1 786 . 1 1 66 66 GLU CB C 13 29.857 0.100 . 1 . . . . 66 GLU CB . 15677 1 787 . 1 1 66 66 GLU CG C 13 33.000 0.100 . 1 . . . . 66 GLU CG . 15677 1 788 . 1 1 66 66 GLU N N 15 122.201 0.100 . 1 . . . . 66 GLU N . 15677 1 789 . 1 1 67 67 GLY H H 1 8.376 0.003 . 1 . . . . 67 GLY H . 15677 1 790 . 1 1 67 67 GLY HA2 H 1 3.834 0.010 . 2 . . . . 67 GLY QA . 15677 1 791 . 1 1 67 67 GLY HA3 H 1 3.834 0.010 . 2 . . . . 67 GLY QA . 15677 1 792 . 1 1 67 67 GLY C C 13 173.071 0.100 . 1 . . . . 67 GLY C . 15677 1 793 . 1 1 67 67 GLY CA C 13 45.871 0.100 . 1 . . . . 67 GLY CA . 15677 1 794 . 1 1 67 67 GLY N N 15 109.499 0.056 . 1 . . . . 67 GLY N . 15677 1 795 . 1 1 68 68 ARG H H 1 8.011 0.006 . 1 . . . . 68 ARG H . 15677 1 796 . 1 1 68 68 ARG HA H 1 4.482 0.010 . 1 . . . . 68 ARG HA . 15677 1 797 . 1 1 68 68 ARG HB2 H 1 1.733 0.010 . 2 . . . . 68 ARG QB . 15677 1 798 . 1 1 68 68 ARG HB3 H 1 1.733 0.010 . 2 . . . . 68 ARG QB . 15677 1 799 . 1 1 68 68 ARG HD2 H 1 3.132 0.010 . 2 . . . . 68 ARG QD . 15677 1 800 . 1 1 68 68 ARG HD3 H 1 3.132 0.010 . 2 . . . . 68 ARG QD . 15677 1 801 . 1 1 68 68 ARG HE H 1 7.160 0.010 . 1 . . . . 68 ARG HE . 15677 1 802 . 1 1 68 68 ARG HG2 H 1 1.576 0.010 . 2 . . . . 68 ARG QG . 15677 1 803 . 1 1 68 68 ARG HG3 H 1 1.576 0.010 . 2 . . . . 68 ARG QG . 15677 1 804 . 1 1 68 68 ARG HH11 H 1 6.424 0.010 . 2 . . . . 68 ARG QH1 . 15677 1 805 . 1 1 68 68 ARG HH12 H 1 6.424 0.010 . 2 . . . . 68 ARG QH1 . 15677 1 806 . 1 1 68 68 ARG HH21 H 1 6.743 0.010 . 2 . . . . 68 ARG QH2 . 15677 1 807 . 1 1 68 68 ARG HH22 H 1 6.743 0.010 . 2 . . . . 68 ARG QH2 . 15677 1 808 . 1 1 68 68 ARG C C 13 177.494 0.100 . 1 . . . . 68 ARG C . 15677 1 809 . 1 1 68 68 ARG CA C 13 57.574 0.100 . 1 . . . . 68 ARG CA . 15677 1 810 . 1 1 68 68 ARG CB C 13 30.325 0.100 . 1 . . . . 68 ARG CB . 15677 1 811 . 1 1 68 68 ARG CD C 13 43.200 0.100 . 1 . . . . 68 ARG CD . 15677 1 812 . 1 1 68 68 ARG CG C 13 27.165 0.100 . 1 . . . . 68 ARG CG . 15677 1 813 . 1 1 68 68 ARG N N 15 122.501 0.022 . 1 . . . . 68 ARG N . 15677 1 814 . 1 1 68 68 ARG NE N 15 108.423 0.100 . 1 . . . . 68 ARG NE . 15677 1 815 . 1 1 69 69 LYS H H 1 7.986 0.003 . 1 . . . . 69 LYS H . 15677 1 816 . 1 1 69 69 LYS HA H 1 4.150 0.010 . 1 . . . . 69 LYS HA . 15677 1 817 . 1 1 69 69 LYS HB2 H 1 1.874 0.010 . 2 . . . . 69 LYS QB . 15677 1 818 . 1 1 69 69 LYS HB3 H 1 1.874 0.010 . 2 . . . . 69 LYS QB . 15677 1 819 . 1 1 69 69 LYS HD2 H 1 1.593 0.010 . 2 . . . . 69 LYS QD . 15677 1 820 . 1 1 69 69 LYS HD3 H 1 1.593 0.010 . 2 . . . . 69 LYS QD . 15677 1 821 . 1 1 69 69 LYS HE2 H 1 3.028 0.010 . 2 . . . . 69 LYS QE . 15677 1 822 . 1 1 69 69 LYS HE3 H 1 3.028 0.010 . 2 . . . . 69 LYS QE . 15677 1 823 . 1 1 69 69 LYS HG2 H 1 1.429 0.010 . 2 . . . . 69 LYS QG . 15677 1 824 . 1 1 69 69 LYS HG3 H 1 1.429 0.010 . 2 . . . . 69 LYS QG . 15677 1 825 . 1 1 69 69 LYS C C 13 178.168 0.100 . 1 . . . . 69 LYS C . 15677 1 826 . 1 1 69 69 LYS CA C 13 57.781 0.100 . 1 . . . . 69 LYS CA . 15677 1 827 . 1 1 69 69 LYS CB C 13 32.705 0.100 . 1 . . . . 69 LYS CB . 15677 1 828 . 1 1 69 69 LYS CD C 13 30.600 0.100 . 1 . . . . 69 LYS CD . 15677 1 829 . 1 1 69 69 LYS CE C 13 42.000 0.100 . 1 . . . . 69 LYS CE . 15677 1 830 . 1 1 69 69 LYS CG C 13 24.850 0.100 . 1 . . . . 69 LYS CG . 15677 1 831 . 1 1 69 69 LYS N N 15 120.934 0.100 . 1 . . . . 69 LYS N . 15677 1 832 . 1 1 70 70 VAL H H 1 7.848 0.002 . 1 . . . . 70 VAL H . 15677 1 833 . 1 1 70 70 VAL HA H 1 4.088 0.010 . 1 . . . . 70 VAL HA . 15677 1 834 . 1 1 70 70 VAL HB H 1 2.125 0.010 . 1 . . . . 70 VAL HB . 15677 1 835 . 1 1 70 70 VAL HG11 H 1 0.818 0.010 . 2 . . . . 70 VAL QG1 . 15677 1 836 . 1 1 70 70 VAL HG12 H 1 0.818 0.010 . 2 . . . . 70 VAL QG1 . 15677 1 837 . 1 1 70 70 VAL HG13 H 1 0.818 0.010 . 2 . . . . 70 VAL QG1 . 15677 1 838 . 1 1 70 70 VAL HG21 H 1 0.926 0.010 . 2 . . . . 70 VAL QG2 . 15677 1 839 . 1 1 70 70 VAL HG22 H 1 0.926 0.010 . 2 . . . . 70 VAL QG2 . 15677 1 840 . 1 1 70 70 VAL HG23 H 1 0.926 0.010 . 2 . . . . 70 VAL QG2 . 15677 1 841 . 1 1 70 70 VAL C C 13 175.998 0.100 . 1 . . . . 70 VAL C . 15677 1 842 . 1 1 70 70 VAL CA C 13 64.206 0.100 . 1 . . . . 70 VAL CA . 15677 1 843 . 1 1 70 70 VAL CB C 13 31.873 0.100 . 1 . . . . 70 VAL CB . 15677 1 844 . 1 1 70 70 VAL CG1 C 13 20.980 0.100 . 1 . . . . 70 VAL CG1 . 15677 1 845 . 1 1 70 70 VAL CG2 C 13 20.980 0.100 . 1 . . . . 70 VAL CG2 . 15677 1 846 . 1 1 70 70 VAL N N 15 120.324 0.100 . 1 . . . . 70 VAL N . 15677 1 847 . 1 1 71 71 ALA H H 1 8.300 0.002 . 1 . . . . 71 ALA H . 15677 1 848 . 1 1 71 71 ALA HA H 1 4.221 0.010 . 1 . . . . 71 ALA HA . 15677 1 849 . 1 1 71 71 ALA HB1 H 1 1.305 0.010 . 1 . . . . 71 ALA QB . 15677 1 850 . 1 1 71 71 ALA HB2 H 1 1.305 0.010 . 1 . . . . 71 ALA QB . 15677 1 851 . 1 1 71 71 ALA HB3 H 1 1.305 0.010 . 1 . . . . 71 ALA QB . 15677 1 852 . 1 1 71 71 ALA C C 13 178.225 0.100 . 1 . . . . 71 ALA C . 15677 1 853 . 1 1 71 71 ALA CA C 13 53.106 0.100 . 1 . . . . 71 ALA CA . 15677 1 854 . 1 1 71 71 ALA CB C 13 19.128 0.100 . 1 . . . . 71 ALA CB . 15677 1 855 . 1 1 71 71 ALA N N 15 127.025 0.028 . 1 . . . . 71 ALA N . 15677 1 856 . 1 1 72 72 GLU H H 1 8.181 0.006 . 1 . . . . 72 GLU H . 15677 1 857 . 1 1 72 72 GLU HA H 1 4.219 0.010 . 1 . . . . 72 GLU HA . 15677 1 858 . 1 1 72 72 GLU HB2 H 1 2.113 0.010 . 2 . . . . 72 GLU QB . 15677 1 859 . 1 1 72 72 GLU HB3 H 1 2.113 0.010 . 2 . . . . 72 GLU QB . 15677 1 860 . 1 1 72 72 GLU HG2 H 1 2.329 0.010 . 2 . . . . 72 GLU QG . 15677 1 861 . 1 1 72 72 GLU HG3 H 1 2.329 0.010 . 2 . . . . 72 GLU QG . 15677 1 862 . 1 1 72 72 GLU C C 13 176.779 0.100 . 1 . . . . 72 GLU C . 15677 1 863 . 1 1 72 72 GLU CA C 13 56.776 0.100 . 1 . . . . 72 GLU CA . 15677 1 864 . 1 1 72 72 GLU CB C 13 28.610 0.100 . 1 . . . . 72 GLU CB . 15677 1 865 . 1 1 72 72 GLU CG C 13 33.000 0.100 . 1 . . . . 72 GLU CG . 15677 1 866 . 1 1 72 72 GLU N N 15 123.008 0.034 . 1 . . . . 72 GLU N . 15677 1 867 . 1 1 73 73 GLN H H 1 8.132 0.001 . 1 . . . . 73 GLN H . 15677 1 868 . 1 1 73 73 GLN HA H 1 4.141 0.010 . 1 . . . . 73 GLN HA . 15677 1 869 . 1 1 73 73 GLN HB2 H 1 2.064 0.010 . 2 . . . . 73 GLN QB . 15677 1 870 . 1 1 73 73 GLN HB3 H 1 2.064 0.010 . 2 . . . . 73 GLN QB . 15677 1 871 . 1 1 73 73 GLN HE21 H 1 7.461 0.010 . 1 . . . . 73 GLN HE21 . 15677 1 872 . 1 1 73 73 GLN HE22 H 1 6.815 0.010 . 1 . . . . 73 GLN HE22 . 15677 1 873 . 1 1 73 73 GLN HG2 H 1 2.376 0.010 . 2 . . . . 73 GLN QG . 15677 1 874 . 1 1 73 73 GLN HG3 H 1 2.376 0.010 . 2 . . . . 73 GLN QG . 15677 1 875 . 1 1 73 73 GLN C C 13 175.803 0.200 . 1 . . . . 73 GLN C . 15677 1 876 . 1 1 73 73 GLN CA C 13 56.456 0.100 . 1 . . . . 73 GLN CA . 15677 1 877 . 1 1 73 73 GLN CB C 13 28.290 0.100 . 1 . . . . 73 GLN CB . 15677 1 878 . 1 1 73 73 GLN CG C 13 33.040 0.100 . 1 . . . . 73 GLN CG . 15677 1 879 . 1 1 73 73 GLN N N 15 120.564 0.100 . 1 . . . . 73 GLN N . 15677 1 880 . 1 1 73 73 GLN NE2 N 15 112.169 0.012 . 1 . . . . 73 GLN NE2 . 15677 1 881 . 1 1 74 74 VAL H H 1 8.088 0.004 . 1 . . . . 74 VAL H . 15677 1 882 . 1 1 74 74 VAL HA H 1 3.986 0.010 . 1 . . . . 74 VAL HA . 15677 1 883 . 1 1 74 74 VAL HB H 1 1.885 0.010 . 1 . . . . 74 VAL HB . 15677 1 884 . 1 1 74 74 VAL HG11 H 1 0.803 0.010 . 2 . . . . 74 VAL QG1 . 15677 1 885 . 1 1 74 74 VAL HG12 H 1 0.803 0.010 . 2 . . . . 74 VAL QG1 . 15677 1 886 . 1 1 74 74 VAL HG13 H 1 0.803 0.010 . 2 . . . . 74 VAL QG1 . 15677 1 887 . 1 1 74 74 VAL HG21 H 1 0.941 0.010 . 2 . . . . 74 VAL QG2 . 15677 1 888 . 1 1 74 74 VAL HG22 H 1 0.941 0.010 . 2 . . . . 74 VAL QG2 . 15677 1 889 . 1 1 74 74 VAL HG23 H 1 0.941 0.010 . 2 . . . . 74 VAL QG2 . 15677 1 890 . 1 1 74 74 VAL C C 13 176.167 0.100 . 1 . . . . 74 VAL C . 15677 1 891 . 1 1 74 74 VAL CA C 13 63.123 0.100 . 1 . . . . 74 VAL CA . 15677 1 892 . 1 1 74 74 VAL CB C 13 30.082 0.100 . 1 . . . . 74 VAL CB . 15677 1 893 . 1 1 74 74 VAL CG1 C 13 21.264 0.100 . 1 . . . . 74 VAL CG1 . 15677 1 894 . 1 1 74 74 VAL CG2 C 13 21.264 0.100 . 1 . . . . 74 VAL CG2 . 15677 1 895 . 1 1 74 74 VAL N N 15 121.828 0.035 . 1 . . . . 74 VAL N . 15677 1 896 . 1 1 75 75 MET H H 1 8.167 0.010 . 1 . . . . 75 MET H . 15677 1 897 . 1 1 75 75 MET HA H 1 4.093 0.010 . 1 . . . . 75 MET HA . 15677 1 898 . 1 1 75 75 MET HB2 H 1 2.018 0.010 . 2 . . . . 75 MET QB . 15677 1 899 . 1 1 75 75 MET HB3 H 1 2.018 0.010 . 2 . . . . 75 MET QB . 15677 1 900 . 1 1 75 75 MET HE1 H 1 2.078 0.010 . 1 . . . . 75 MET QE . 15677 1 901 . 1 1 75 75 MET HE2 H 1 2.078 0.010 . 1 . . . . 75 MET QE . 15677 1 902 . 1 1 75 75 MET HE3 H 1 2.078 0.010 . 1 . . . . 75 MET QE . 15677 1 903 . 1 1 75 75 MET C C 13 176.455 0.100 . 1 . . . . 75 MET C . 15677 1 904 . 1 1 75 75 MET N N 15 123.990 0.100 . 1 . . . . 75 MET N . 15677 1 905 . 1 1 76 76 LYS H H 1 8.287 0.003 . 1 . . . . 76 LYS H . 15677 1 906 . 1 1 76 76 LYS HA H 1 4.234 0.010 . 1 . . . . 76 LYS HA . 15677 1 907 . 1 1 76 76 LYS HB2 H 1 1.913 0.010 . 2 . . . . 76 LYS QB . 15677 1 908 . 1 1 76 76 LYS HB3 H 1 1.913 0.010 . 2 . . . . 76 LYS QB . 15677 1 909 . 1 1 76 76 LYS HD2 H 1 1.704 0.010 . 2 . . . . 76 LYS QD . 15677 1 910 . 1 1 76 76 LYS HD3 H 1 1.704 0.010 . 2 . . . . 76 LYS QD . 15677 1 911 . 1 1 76 76 LYS HE2 H 1 3.001 0.010 . 2 . . . . 76 LYS QE . 15677 1 912 . 1 1 76 76 LYS HE3 H 1 3.001 0.010 . 2 . . . . 76 LYS QE . 15677 1 913 . 1 1 76 76 LYS HG2 H 1 1.440 0.010 . 2 . . . . 76 LYS QG . 15677 1 914 . 1 1 76 76 LYS HG3 H 1 1.440 0.010 . 2 . . . . 76 LYS QG . 15677 1 915 . 1 1 76 76 LYS C C 13 176.220 0.100 . 1 . . . . 76 LYS C . 15677 1 916 . 1 1 76 76 LYS CA C 13 56.765 0.100 . 1 . . . . 76 LYS CA . 15677 1 917 . 1 1 76 76 LYS CB C 13 33.055 0.100 . 1 . . . . 76 LYS CB . 15677 1 918 . 1 1 76 76 LYS CD C 13 30.600 0.100 . 1 . . . . 76 LYS CD . 15677 1 919 . 1 1 76 76 LYS CE C 13 42.000 0.100 . 1 . . . . 76 LYS CE . 15677 1 920 . 1 1 76 76 LYS CG C 13 24.850 0.100 . 1 . . . . 76 LYS CG . 15677 1 921 . 1 1 76 76 LYS N N 15 122.725 0.067 . 1 . . . . 76 LYS N . 15677 1 922 . 1 1 77 77 ALA H H 1 8.308 0.002 . 1 . . . . 77 ALA H . 15677 1 923 . 1 1 77 77 ALA HA H 1 4.213 0.004 . 1 . . . . 77 ALA HA . 15677 1 924 . 1 1 77 77 ALA HB1 H 1 1.348 0.015 . 1 . . . . 77 ALA QB . 15677 1 925 . 1 1 77 77 ALA HB2 H 1 1.348 0.015 . 1 . . . . 77 ALA QB . 15677 1 926 . 1 1 77 77 ALA HB3 H 1 1.348 0.015 . 1 . . . . 77 ALA QB . 15677 1 927 . 1 1 77 77 ALA C C 13 178.097 0.100 . 1 . . . . 77 ALA C . 15677 1 928 . 1 1 77 77 ALA CA C 13 52.740 0.100 . 1 . . . . 77 ALA CA . 15677 1 929 . 1 1 77 77 ALA CB C 13 19.427 0.100 . 1 . . . . 77 ALA CB . 15677 1 930 . 1 1 77 77 ALA N N 15 125.316 0.032 . 1 . . . . 77 ALA N . 15677 1 931 . 1 1 78 78 GLY H H 1 8.284 0.013 . 1 . . . . 78 GLY H . 15677 1 932 . 1 1 78 78 GLY HA2 H 1 3.873 0.001 . 2 . . . . 78 GLY QA . 15677 1 933 . 1 1 78 78 GLY HA3 H 1 3.873 0.001 . 2 . . . . 78 GLY QA . 15677 1 934 . 1 1 78 78 GLY C C 13 174.065 0.100 . 1 . . . . 78 GLY C . 15677 1 935 . 1 1 78 78 GLY CA C 13 45.497 0.100 . 1 . . . . 78 GLY CA . 15677 1 936 . 1 1 78 78 GLY N N 15 107.778 0.014 . 1 . . . . 78 GLY N . 15677 1 937 . 1 1 79 79 ILE H H 1 7.882 0.001 . 1 . . . . 79 ILE H . 15677 1 938 . 1 1 79 79 ILE HA H 1 4.119 0.006 . 1 . . . . 79 ILE HA . 15677 1 939 . 1 1 79 79 ILE HB H 1 1.834 0.010 . 1 . . . . 79 ILE HB . 15677 1 940 . 1 1 79 79 ILE HD11 H 1 0.877 0.010 . 1 . . . . 79 ILE QD1 . 15677 1 941 . 1 1 79 79 ILE HD12 H 1 0.877 0.010 . 1 . . . . 79 ILE QD1 . 15677 1 942 . 1 1 79 79 ILE HD13 H 1 0.877 0.010 . 1 . . . . 79 ILE QD1 . 15677 1 943 . 1 1 79 79 ILE HG12 H 1 1.369 0.010 . 2 . . . . 79 ILE QG1 . 15677 1 944 . 1 1 79 79 ILE HG13 H 1 1.369 0.010 . 2 . . . . 79 ILE QG1 . 15677 1 945 . 1 1 79 79 ILE HG21 H 1 1.110 0.010 . 1 . . . . 79 ILE QG2 . 15677 1 946 . 1 1 79 79 ILE HG22 H 1 1.110 0.010 . 1 . . . . 79 ILE QG2 . 15677 1 947 . 1 1 79 79 ILE HG23 H 1 1.110 0.010 . 1 . . . . 79 ILE QG2 . 15677 1 948 . 1 1 79 79 ILE C C 13 176.160 0.100 . 1 . . . . 79 ILE C . 15677 1 949 . 1 1 79 79 ILE CA C 13 61.436 0.100 . 1 . . . . 79 ILE CA . 15677 1 950 . 1 1 79 79 ILE CB C 13 38.904 0.100 . 1 . . . . 79 ILE CB . 15677 1 951 . 1 1 79 79 ILE CD1 C 13 12.982 0.100 . 1 . . . . 79 ILE CD1 . 15677 1 952 . 1 1 79 79 ILE CG1 C 13 27.280 0.100 . 1 . . . . 79 ILE CG1 . 15677 1 953 . 1 1 79 79 ILE CG2 C 13 17.516 0.100 . 1 . . . . 79 ILE CG2 . 15677 1 954 . 1 1 79 79 ILE N N 15 119.794 0.022 . 1 . . . . 79 ILE N . 15677 1 955 . 1 1 80 80 GLU H H 1 8.354 0.002 . 1 . . . . 80 GLU H . 15677 1 956 . 1 1 80 80 GLU HA H 1 4.282 0.013 . 1 . . . . 80 GLU HA . 15677 1 957 . 1 1 80 80 GLU HB2 H 1 1.871 0.010 . 2 . . . . 80 GLU QB . 15677 1 958 . 1 1 80 80 GLU HB3 H 1 1.871 0.010 . 2 . . . . 80 GLU QB . 15677 1 959 . 1 1 80 80 GLU HG2 H 1 2.294 0.010 . 2 . . . . 80 GLU QG . 15677 1 960 . 1 1 80 80 GLU HG3 H 1 2.294 0.010 . 2 . . . . 80 GLU QG . 15677 1 961 . 1 1 80 80 GLU C C 13 176.174 0.100 . 1 . . . . 80 GLU C . 15677 1 962 . 1 1 80 80 GLU CA C 13 57.178 0.100 . 1 . . . . 80 GLU CA . 15677 1 963 . 1 1 80 80 GLU CB C 13 30.019 0.100 . 1 . . . . 80 GLU CB . 15677 1 964 . 1 1 80 80 GLU CG C 13 33.000 0.100 . 1 . . . . 80 GLU CG . 15677 1 965 . 1 1 80 80 GLU N N 15 124.311 0.023 . 1 . . . . 80 GLU N . 15677 1 966 . 1 1 81 81 VAL H H 1 8.205 0.003 . 1 . . . . 81 VAL H . 15677 1 967 . 1 1 81 81 VAL HA H 1 3.985 0.010 . 1 . . . . 81 VAL HA . 15677 1 968 . 1 1 81 81 VAL HB H 1 1.978 0.010 . 1 . . . . 81 VAL HB . 15677 1 969 . 1 1 81 81 VAL HG11 H 1 0.854 0.010 . 2 . . . . 81 VAL QG1 . 15677 1 970 . 1 1 81 81 VAL HG12 H 1 0.854 0.010 . 2 . . . . 81 VAL QG1 . 15677 1 971 . 1 1 81 81 VAL HG13 H 1 0.854 0.010 . 2 . . . . 81 VAL QG1 . 15677 1 972 . 1 1 81 81 VAL HG21 H 1 1.042 0.010 . 2 . . . . 81 VAL QG2 . 15677 1 973 . 1 1 81 81 VAL HG22 H 1 1.042 0.010 . 2 . . . . 81 VAL QG2 . 15677 1 974 . 1 1 81 81 VAL HG23 H 1 1.042 0.010 . 2 . . . . 81 VAL QG2 . 15677 1 975 . 1 1 81 81 VAL C C 13 175.815 0.100 . 1 . . . . 81 VAL C . 15677 1 976 . 1 1 81 81 VAL CA C 13 62.865 0.100 . 1 . . . . 81 VAL CA . 15677 1 977 . 1 1 81 81 VAL CB C 13 32.629 0.100 . 1 . . . . 81 VAL CB . 15677 1 978 . 1 1 81 81 VAL CG1 C 13 20.946 0.100 . 1 . . . . 81 VAL CG1 . 15677 1 979 . 1 1 81 81 VAL CG2 C 13 20.946 0.100 . 1 . . . . 81 VAL CG2 . 15677 1 980 . 1 1 81 81 VAL N N 15 121.106 0.200 . 1 . . . . 81 VAL N . 15677 1 981 . 1 1 82 82 PHE H H 1 8.252 0.002 . 1 . . . . 82 PHE H . 15677 1 982 . 1 1 82 82 PHE HA H 1 4.551 0.010 . 1 . . . . 82 PHE HA . 15677 1 983 . 1 1 82 82 PHE HB2 H 1 3.043 0.010 . 1 . . . . 82 PHE HB2 . 15677 1 984 . 1 1 82 82 PHE HB3 H 1 2.900 0.010 . 1 . . . . 82 PHE HB3 . 15677 1 985 . 1 1 82 82 PHE HD1 H 1 7.155 0.010 . 3 . . . . 82 PHE QD . 15677 1 986 . 1 1 82 82 PHE HD2 H 1 7.155 0.010 . 3 . . . . 82 PHE QD . 15677 1 987 . 1 1 82 82 PHE HE1 H 1 7.544 0.010 . 3 . . . . 82 PHE QE . 15677 1 988 . 1 1 82 82 PHE HE2 H 1 7.544 0.010 . 3 . . . . 82 PHE QE . 15677 1 989 . 1 1 82 82 PHE HZ H 1 7.155 0.010 . 1 . . . . 82 PHE HZ . 15677 1 990 . 1 1 82 82 PHE C C 13 175.631 0.100 . 1 . . . . 82 PHE C . 15677 1 991 . 1 1 82 82 PHE CA C 13 58.206 0.100 . 1 . . . . 82 PHE CA . 15677 1 992 . 1 1 82 82 PHE CB C 13 39.431 0.100 . 1 . . . . 82 PHE CB . 15677 1 993 . 1 1 82 82 PHE N N 15 123.622 0.024 . 1 . . . . 82 PHE N . 15677 1 994 . 1 1 83 83 ALA H H 1 8.184 0.001 . 1 . . . . 83 ALA H . 15677 1 995 . 1 1 83 83 ALA HA H 1 4.230 0.010 . 1 . . . . 83 ALA HA . 15677 1 996 . 1 1 83 83 ALA HB1 H 1 1.300 0.010 . 1 . . . . 83 ALA QB . 15677 1 997 . 1 1 83 83 ALA HB2 H 1 1.300 0.010 . 1 . . . . 83 ALA QB . 15677 1 998 . 1 1 83 83 ALA HB3 H 1 1.300 0.010 . 1 . . . . 83 ALA QB . 15677 1 999 . 1 1 83 83 ALA C C 13 178.025 0.100 . 1 . . . . 83 ALA C . 15677 1 1000 . 1 1 83 83 ALA CA C 13 52.731 0.100 . 1 . . . . 83 ALA CA . 15677 1 1001 . 1 1 83 83 ALA CB C 13 19.359 0.100 . 1 . . . . 83 ALA CB . 15677 1 1002 . 1 1 83 83 ALA N N 15 125.081 0.012 . 1 . . . . 83 ALA N . 15677 1 1003 . 1 1 84 84 LEU H H 1 8.104 0.010 . 1 . . . . 84 LEU H . 15677 1 1004 . 1 1 84 84 LEU HA H 1 4.167 0.010 . 1 . . . . 84 LEU HA . 15677 1 1005 . 1 1 84 84 LEU HB2 H 1 1.605 0.010 . 2 . . . . 84 LEU QB . 15677 1 1006 . 1 1 84 84 LEU HB3 H 1 1.605 0.010 . 2 . . . . 84 LEU QB . 15677 1 1007 . 1 1 84 84 LEU HD11 H 1 0.859 0.010 . 2 . . . . 84 LEU QD1 . 15677 1 1008 . 1 1 84 84 LEU HD12 H 1 0.859 0.010 . 2 . . . . 84 LEU QD1 . 15677 1 1009 . 1 1 84 84 LEU HD13 H 1 0.859 0.010 . 2 . . . . 84 LEU QD1 . 15677 1 1010 . 1 1 84 84 LEU HD21 H 1 0.838 0.010 . 2 . . . . 84 LEU QD2 . 15677 1 1011 . 1 1 84 84 LEU HD22 H 1 0.838 0.010 . 2 . . . . 84 LEU QD2 . 15677 1 1012 . 1 1 84 84 LEU HD23 H 1 0.838 0.010 . 2 . . . . 84 LEU QD2 . 15677 1 1013 . 1 1 84 84 LEU HG H 1 1.600 0.010 . 1 . . . . 84 LEU HG . 15677 1 1014 . 1 1 84 84 LEU C C 13 176.390 0.100 . 1 . . . . 84 LEU C . 15677 1 1015 . 1 1 84 84 LEU CA C 13 55.786 0.100 . 1 . . . . 84 LEU CA . 15677 1 1016 . 1 1 84 84 LEU CB C 13 42.179 0.100 . 1 . . . . 84 LEU CB . 15677 1 1017 . 1 1 84 84 LEU CD1 C 13 24.265 0.100 . 1 . . . . 84 LEU CD1 . 15677 1 1018 . 1 1 84 84 LEU CD2 C 13 24.265 0.100 . 1 . . . . 84 LEU CD2 . 15677 1 1019 . 1 1 84 84 LEU CG C 13 26.878 0.100 . 1 . . . . 84 LEU CG . 15677 1 1020 . 1 1 84 84 LEU N N 15 119.064 0.100 . 1 . . . . 84 LEU N . 15677 1 1021 . 1 1 85 85 VAL H H 1 8.155 0.006 . 1 . . . . 85 VAL H . 15677 1 1022 . 1 1 85 85 VAL HA H 1 4.073 0.010 . 1 . . . . 85 VAL HA . 15677 1 1023 . 1 1 85 85 VAL HB H 1 2.023 0.004 . 1 . . . . 85 VAL HB . 15677 1 1024 . 1 1 85 85 VAL HG11 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1025 . 1 1 85 85 VAL HG12 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1026 . 1 1 85 85 VAL HG13 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1027 . 1 1 85 85 VAL HG21 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1028 . 1 1 85 85 VAL HG22 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1029 . 1 1 85 85 VAL HG23 H 1 0.855 0.003 . 2 . . . . 85 VAL QQG . 15677 1 1030 . 1 1 85 85 VAL C C 13 176.521 0.100 . 1 . . . . 85 VAL C . 15677 1 1031 . 1 1 85 85 VAL CA C 13 62.762 0.100 . 1 . . . . 85 VAL CA . 15677 1 1032 . 1 1 85 85 VAL CB C 13 32.498 0.100 . 1 . . . . 85 VAL CB . 15677 1 1033 . 1 1 85 85 VAL CG1 C 13 21.248 0.100 . 1 . . . . 85 VAL CG1 . 15677 1 1034 . 1 1 85 85 VAL CG2 C 13 21.248 0.100 . 1 . . . . 85 VAL CG2 . 15677 1 1035 . 1 1 85 85 VAL N N 15 121.743 0.047 . 1 . . . . 85 VAL N . 15677 1 1036 . 1 1 86 86 THR H H 1 8.052 0.002 . 1 . . . . 86 THR H . 15677 1 1037 . 1 1 86 86 THR HA H 1 4.141 0.010 . 1 . . . . 86 THR HA . 15677 1 1038 . 1 1 86 86 THR HB H 1 4.050 0.010 . 1 . . . . 86 THR HB . 15677 1 1039 . 1 1 86 86 THR HG21 H 1 1.118 0.010 . 1 . . . . 86 THR QG2 . 15677 1 1040 . 1 1 86 86 THR HG22 H 1 1.118 0.010 . 1 . . . . 86 THR QG2 . 15677 1 1041 . 1 1 86 86 THR HG23 H 1 1.118 0.010 . 1 . . . . 86 THR QG2 . 15677 1 1042 . 1 1 86 86 THR C C 13 174.706 0.100 . 1 . . . . 86 THR C . 15677 1 1043 . 1 1 86 86 THR CA C 13 62.351 0.100 . 1 . . . . 86 THR CA . 15677 1 1044 . 1 1 86 86 THR CB C 13 69.618 0.100 . 1 . . . . 86 THR CB . 15677 1 1045 . 1 1 86 86 THR CG2 C 13 21.500 0.100 . 1 . . . . 86 THR CG2 . 15677 1 1046 . 1 1 86 86 THR N N 15 117.693 0.072 . 1 . . . . 86 THR N . 15677 1 1047 . 1 1 87 87 ALA H H 1 8.216 0.002 . 1 . . . . 87 ALA H . 15677 1 1048 . 1 1 87 87 ALA HA H 1 4.170 0.010 . 1 . . . . 87 ALA HA . 15677 1 1049 . 1 1 87 87 ALA HB1 H 1 1.329 0.001 . 1 . . . . 87 ALA QB . 15677 1 1050 . 1 1 87 87 ALA HB2 H 1 1.329 0.001 . 1 . . . . 87 ALA QB . 15677 1 1051 . 1 1 87 87 ALA HB3 H 1 1.329 0.001 . 1 . . . . 87 ALA QB . 15677 1 1052 . 1 1 87 87 ALA C C 13 178.003 0.100 . 1 . . . . 87 ALA C . 15677 1 1053 . 1 1 87 87 ALA CA C 13 52.967 0.100 . 1 . . . . 87 ALA CA . 15677 1 1054 . 1 1 87 87 ALA CB C 13 18.326 0.100 . 1 . . . . 87 ALA CB . 15677 1 1055 . 1 1 87 87 ALA N N 15 126.174 0.005 . 1 . . . . 87 ALA N . 15677 1 1056 . 1 1 88 88 ALA H H 1 8.129 0.001 . 1 . . . . 88 ALA H . 15677 1 1057 . 1 1 88 88 ALA HA H 1 4.147 0.010 . 1 . . . . 88 ALA HA . 15677 1 1058 . 1 1 88 88 ALA HB1 H 1 1.325 0.010 . 1 . . . . 88 ALA QB . 15677 1 1059 . 1 1 88 88 ALA HB2 H 1 1.325 0.010 . 1 . . . . 88 ALA QB . 15677 1 1060 . 1 1 88 88 ALA HB3 H 1 1.325 0.010 . 1 . . . . 88 ALA QB . 15677 1 1061 . 1 1 88 88 ALA C C 13 178.246 0.100 . 1 . . . . 88 ALA C . 15677 1 1062 . 1 1 88 88 ALA CA C 13 52.961 0.100 . 1 . . . . 88 ALA CA . 15677 1 1063 . 1 1 88 88 ALA CB C 13 19.290 0.100 . 1 . . . . 88 ALA CB . 15677 1 1064 . 1 1 88 88 ALA N N 15 122.649 0.024 . 1 . . . . 88 ALA N . 15677 1 1065 . 1 1 89 89 LEU H H 1 7.992 0.002 . 1 . . . . 89 LEU H . 15677 1 1066 . 1 1 89 89 LEU HA H 1 4.153 0.010 . 1 . . . . 89 LEU HA . 15677 1 1067 . 1 1 89 89 LEU HB2 H 1 1.599 0.002 . 2 . . . . 89 LEU QB . 15677 1 1068 . 1 1 89 89 LEU HB3 H 1 1.599 0.002 . 2 . . . . 89 LEU QB . 15677 1 1069 . 1 1 89 89 LEU HD11 H 1 0.835 0.010 . 2 . . . . 89 LEU QD1 . 15677 1 1070 . 1 1 89 89 LEU HD12 H 1 0.835 0.010 . 2 . . . . 89 LEU QD1 . 15677 1 1071 . 1 1 89 89 LEU HD13 H 1 0.835 0.010 . 2 . . . . 89 LEU QD1 . 15677 1 1072 . 1 1 89 89 LEU HD21 H 1 0.776 0.010 . 2 . . . . 89 LEU QD2 . 15677 1 1073 . 1 1 89 89 LEU HD22 H 1 0.776 0.010 . 2 . . . . 89 LEU QD2 . 15677 1 1074 . 1 1 89 89 LEU HD23 H 1 0.776 0.010 . 2 . . . . 89 LEU QD2 . 15677 1 1075 . 1 1 89 89 LEU HG H 1 1.506 0.010 . 1 . . . . 89 LEU HG . 15677 1 1076 . 1 1 89 89 LEU C C 13 176.375 0.100 . 1 . . . . 89 LEU C . 15677 1 1077 . 1 1 89 89 LEU CA C 13 57.099 0.100 . 1 . . . . 89 LEU CA . 15677 1 1078 . 1 1 89 89 LEU CB C 13 42.055 0.100 . 1 . . . . 89 LEU CB . 15677 1 1079 . 1 1 89 89 LEU CD1 C 13 24.440 0.100 . 1 . . . . 89 LEU CD1 . 15677 1 1080 . 1 1 89 89 LEU CD2 C 13 24.440 0.100 . 1 . . . . 89 LEU CD2 . 15677 1 1081 . 1 1 89 89 LEU CG C 13 26.870 0.100 . 1 . . . . 89 LEU CG . 15677 1 1082 . 1 1 89 89 LEU N N 15 120.616 0.049 . 1 . . . . 89 LEU N . 15677 1 1083 . 1 1 90 90 ALA H H 1 8.168 0.009 . 1 . . . . 90 ALA H . 15677 1 1084 . 1 1 90 90 ALA HA H 1 4.218 0.010 . 1 . . . . 90 ALA HA . 15677 1 1085 . 1 1 90 90 ALA HB1 H 1 1.360 0.006 . 1 . . . . 90 ALA QB . 15677 1 1086 . 1 1 90 90 ALA HB2 H 1 1.360 0.006 . 1 . . . . 90 ALA QB . 15677 1 1087 . 1 1 90 90 ALA HB3 H 1 1.360 0.006 . 1 . . . . 90 ALA QB . 15677 1 1088 . 1 1 90 90 ALA C C 13 178.487 0.100 . 1 . . . . 90 ALA C . 15677 1 1089 . 1 1 90 90 ALA CA C 13 53.043 0.100 . 1 . . . . 90 ALA CA . 15677 1 1090 . 1 1 90 90 ALA CB C 13 19.269 0.100 . 1 . . . . 90 ALA CB . 15677 1 1091 . 1 1 90 90 ALA N N 15 124.243 0.081 . 1 . . . . 90 ALA N . 15677 1 1092 . 1 1 91 91 THR H H 1 7.988 0.002 . 1 . . . . 91 THR H . 15677 1 1093 . 1 1 91 91 THR HA H 1 4.181 0.010 . 1 . . . . 91 THR HA . 15677 1 1094 . 1 1 91 91 THR HB H 1 4.137 0.010 . 1 . . . . 91 THR HB . 15677 1 1095 . 1 1 91 91 THR HG21 H 1 1.128 0.010 . 1 . . . . 91 THR QG2 . 15677 1 1096 . 1 1 91 91 THR HG22 H 1 1.128 0.010 . 1 . . . . 91 THR QG2 . 15677 1 1097 . 1 1 91 91 THR HG23 H 1 1.128 0.010 . 1 . . . . 91 THR QG2 . 15677 1 1098 . 1 1 91 91 THR C C 13 174.931 0.100 . 1 . . . . 91 THR C . 15677 1 1099 . 1 1 91 91 THR CA C 13 62.190 0.100 . 1 . . . . 91 THR CA . 15677 1 1100 . 1 1 91 91 THR CB C 13 69.198 0.100 . 1 . . . . 91 THR CB . 15677 1 1101 . 1 1 91 91 THR CG2 C 13 21.500 0.100 . 1 . . . . 91 THR CG2 . 15677 1 1102 . 1 1 91 91 THR N N 15 112.659 0.075 . 1 . . . . 91 THR N . 15677 1 1103 . 1 1 92 92 ASP H H 1 8.254 0.009 . 1 . . . . 92 ASP H . 15677 1 1104 . 1 1 92 92 ASP HA H 1 4.541 0.010 . 1 . . . . 92 ASP HA . 15677 1 1105 . 1 1 92 92 ASP HB2 H 1 2.765 0.006 . 2 . . . . 92 ASP QB . 15677 1 1106 . 1 1 92 92 ASP HB3 H 1 2.765 0.006 . 2 . . . . 92 ASP QB . 15677 1 1107 . 1 1 92 92 ASP C C 13 175.823 0.100 . 1 . . . . 92 ASP C . 15677 1 1108 . 1 1 92 92 ASP CA C 13 53.570 0.100 . 1 . . . . 92 ASP CA . 15677 1 1109 . 1 1 92 92 ASP CB C 13 38.750 0.100 . 1 . . . . 92 ASP CB . 15677 1 1110 . 1 1 92 92 ASP N N 15 120.688 0.032 . 1 . . . . 92 ASP N . 15677 1 1111 . 1 1 93 93 PHE H H 1 8.048 0.001 . 1 . . . . 93 PHE H . 15677 1 1112 . 1 1 93 93 PHE HA H 1 4.547 0.010 . 1 . . . . 93 PHE HA . 15677 1 1113 . 1 1 93 93 PHE HB2 H 1 3.060 0.002 . 2 . . . . 93 PHE QB . 15677 1 1114 . 1 1 93 93 PHE HB3 H 1 3.060 0.002 . 2 . . . . 93 PHE QB . 15677 1 1115 . 1 1 93 93 PHE HD1 H 1 7.131 0.010 . 3 . . . . 93 PHE QD . 15677 1 1116 . 1 1 93 93 PHE HD2 H 1 7.131 0.010 . 3 . . . . 93 PHE QD . 15677 1 1117 . 1 1 93 93 PHE HE1 H 1 7.010 0.010 . 3 . . . . 93 PHE QE . 15677 1 1118 . 1 1 93 93 PHE HE2 H 1 7.010 0.010 . 3 . . . . 93 PHE QE . 15677 1 1119 . 1 1 93 93 PHE HZ H 1 7.367 0.010 . 1 . . . . 93 PHE HZ . 15677 1 1120 . 1 1 93 93 PHE C C 13 176.384 0.100 . 1 . . . . 93 PHE C . 15677 1 1121 . 1 1 93 93 PHE CA C 13 58.633 0.100 . 1 . . . . 93 PHE CA . 15677 1 1122 . 1 1 93 93 PHE CB C 13 39.451 0.100 . 1 . . . . 93 PHE CB . 15677 1 1123 . 1 1 93 93 PHE N N 15 120.763 0.020 . 1 . . . . 93 PHE N . 15677 1 1124 . 1 1 94 94 VAL H H 1 7.904 0.001 . 1 . . . . 94 VAL H . 15677 1 1125 . 1 1 94 94 VAL HA H 1 4.364 0.010 . 1 . . . . 94 VAL HA . 15677 1 1126 . 1 1 94 94 VAL HB H 1 2.006 0.010 . 1 . . . . 94 VAL HB . 15677 1 1127 . 1 1 94 94 VAL HG11 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1128 . 1 1 94 94 VAL HG12 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1129 . 1 1 94 94 VAL HG13 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1130 . 1 1 94 94 VAL HG21 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1131 . 1 1 94 94 VAL HG22 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1132 . 1 1 94 94 VAL HG23 H 1 0.902 0.010 . 2 . . . . 94 VAL QQG . 15677 1 1133 . 1 1 94 94 VAL C C 13 176.851 0.100 . 1 . . . . 94 VAL C . 15677 1 1134 . 1 1 94 94 VAL CA C 13 63.297 0.100 . 1 . . . . 94 VAL CA . 15677 1 1135 . 1 1 94 94 VAL CB C 13 29.241 0.100 . 1 . . . . 94 VAL CB . 15677 1 1136 . 1 1 94 94 VAL CG1 C 13 21.714 0.100 . 1 . . . . 94 VAL CG1 . 15677 1 1137 . 1 1 94 94 VAL CG2 C 13 21.444 0.100 . 1 . . . . 94 VAL CG2 . 15677 1 1138 . 1 1 94 94 VAL N N 15 121.478 0.001 . 1 . . . . 94 VAL N . 15677 1 1139 . 1 1 95 95 ARG H H 1 8.146 0.010 . 1 . . . . 95 ARG H . 15677 1 1140 . 1 1 95 95 ARG HA H 1 4.134 0.010 . 1 . . . . 95 ARG HA . 15677 1 1141 . 1 1 95 95 ARG HB2 H 1 1.799 0.007 . 2 . . . . 95 ARG QB . 15677 1 1142 . 1 1 95 95 ARG HB3 H 1 1.799 0.007 . 2 . . . . 95 ARG QB . 15677 1 1143 . 1 1 95 95 ARG HD2 H 1 3.176 0.010 . 2 . . . . 95 ARG QD . 15677 1 1144 . 1 1 95 95 ARG HD3 H 1 3.176 0.010 . 2 . . . . 95 ARG QD . 15677 1 1145 . 1 1 95 95 ARG HE H 1 7.134 0.010 . 1 . . . . 95 ARG HE . 15677 1 1146 . 1 1 95 95 ARG HG2 H 1 1.606 0.010 . 2 . . . . 95 ARG QG . 15677 1 1147 . 1 1 95 95 ARG HG3 H 1 1.606 0.010 . 2 . . . . 95 ARG QG . 15677 1 1148 . 1 1 95 95 ARG HH11 H 1 6.420 0.010 . 2 . . . . 95 ARG QH1 . 15677 1 1149 . 1 1 95 95 ARG HH12 H 1 6.420 0.010 . 2 . . . . 95 ARG QH1 . 15677 1 1150 . 1 1 95 95 ARG HH21 H 1 6.726 0.010 . 2 . . . . 95 ARG QH2 . 15677 1 1151 . 1 1 95 95 ARG HH22 H 1 6.726 0.010 . 2 . . . . 95 ARG QH2 . 15677 1 1152 . 1 1 95 95 ARG C C 13 177.395 0.100 . 1 . . . . 95 ARG C . 15677 1 1153 . 1 1 95 95 ARG CA C 13 55.978 0.100 . 1 . . . . 95 ARG CA . 15677 1 1154 . 1 1 95 95 ARG CB C 13 31.070 0.100 . 1 . . . . 95 ARG CB . 15677 1 1155 . 1 1 95 95 ARG CD C 13 43.200 0.100 . 1 . . . . 95 ARG CD . 15677 1 1156 . 1 1 95 95 ARG CG C 13 27.165 0.100 . 1 . . . . 95 ARG CG . 15677 1 1157 . 1 1 95 95 ARG N N 15 122.920 0.100 . 1 . . . . 95 ARG N . 15677 1 1158 . 1 1 95 95 ARG NE N 15 108.600 0.100 . 1 . . . . 95 ARG NE . 15677 1 1159 . 1 1 96 96 ARG H H 1 8.313 0.002 . 1 . . . . 96 ARG H . 15677 1 1160 . 1 1 96 96 ARG HA H 1 4.180 0.010 . 1 . . . . 96 ARG HA . 15677 1 1161 . 1 1 96 96 ARG HB2 H 1 1.791 0.010 . 2 . . . . 96 ARG QB . 15677 1 1162 . 1 1 96 96 ARG HB3 H 1 1.791 0.010 . 2 . . . . 96 ARG QB . 15677 1 1163 . 1 1 96 96 ARG HD2 H 1 3.136 0.010 . 2 . . . . 96 ARG QD . 15677 1 1164 . 1 1 96 96 ARG HD3 H 1 3.136 0.010 . 2 . . . . 96 ARG QD . 15677 1 1165 . 1 1 96 96 ARG HE H 1 7.141 0.010 . 1 . . . . 96 ARG HE . 15677 1 1166 . 1 1 96 96 ARG HG2 H 1 1.604 0.010 . 2 . . . . 96 ARG QG . 15677 1 1167 . 1 1 96 96 ARG HG3 H 1 1.604 0.010 . 2 . . . . 96 ARG QG . 15677 1 1168 . 1 1 96 96 ARG HH11 H 1 6.420 0.010 . 2 . . . . 96 ARG QH1 . 15677 1 1169 . 1 1 96 96 ARG HH12 H 1 6.420 0.010 . 2 . . . . 96 ARG QH1 . 15677 1 1170 . 1 1 96 96 ARG HH21 H 1 6.726 0.010 . 2 . . . . 96 ARG QH2 . 15677 1 1171 . 1 1 96 96 ARG HH22 H 1 6.726 0.010 . 2 . . . . 96 ARG QH2 . 15677 1 1172 . 1 1 96 96 ARG C C 13 176.839 0.100 . 1 . . . . 96 ARG C . 15677 1 1173 . 1 1 96 96 ARG CA C 13 56.831 0.100 . 1 . . . . 96 ARG CA . 15677 1 1174 . 1 1 96 96 ARG CB C 13 30.952 0.100 . 1 . . . . 96 ARG CB . 15677 1 1175 . 1 1 96 96 ARG CD C 13 43.200 0.100 . 1 . . . . 96 ARG CD . 15677 1 1176 . 1 1 96 96 ARG CG C 13 27.165 0.100 . 1 . . . . 96 ARG CG . 15677 1 1177 . 1 1 96 96 ARG N N 15 121.064 0.038 . 1 . . . . 96 ARG N . 15677 1 1178 . 1 1 96 96 ARG NE N 15 108.617 0.100 . 1 . . . . 96 ARG NE . 15677 1 1179 . 1 1 97 97 GLU H H 1 8.356 0.001 . 1 . . . . 97 GLU H . 15677 1 1180 . 1 1 97 97 GLU HA H 1 4.220 0.010 . 1 . . . . 97 GLU HA . 15677 1 1181 . 1 1 97 97 GLU HB2 H 1 2.013 0.010 . 2 . . . . 97 GLU QB . 15677 1 1182 . 1 1 97 97 GLU HB3 H 1 2.013 0.010 . 2 . . . . 97 GLU QB . 15677 1 1183 . 1 1 97 97 GLU HG2 H 1 2.373 0.010 . 2 . . . . 97 GLU QG . 15677 1 1184 . 1 1 97 97 GLU HG3 H 1 2.373 0.010 . 2 . . . . 97 GLU QG . 15677 1 1185 . 1 1 97 97 GLU C C 13 176.319 0.100 . 1 . . . . 97 GLU C . 15677 1 1186 . 1 1 97 97 GLU CA C 13 57.408 0.100 . 1 . . . . 97 GLU CA . 15677 1 1187 . 1 1 97 97 GLU CB C 13 28.610 0.100 . 1 . . . . 97 GLU CB . 15677 1 1188 . 1 1 97 97 GLU CG C 13 33.000 0.100 . 1 . . . . 97 GLU CG . 15677 1 1189 . 1 1 97 97 GLU N N 15 121.754 0.036 . 1 . . . . 97 GLU N . 15677 1 1190 . 1 1 98 98 GLU H H 1 8.328 0.002 . 1 . . . . 98 GLU H . 15677 1 1191 . 1 1 98 98 GLU HA H 1 4.240 0.010 . 1 . . . . 98 GLU HA . 15677 1 1192 . 1 1 98 98 GLU HB2 H 1 1.999 0.010 . 2 . . . . 98 GLU QB . 15677 1 1193 . 1 1 98 98 GLU HB3 H 1 1.999 0.010 . 2 . . . . 98 GLU QB . 15677 1 1194 . 1 1 98 98 GLU HG2 H 1 2.268 0.010 . 2 . . . . 98 GLU QG . 15677 1 1195 . 1 1 98 98 GLU HG3 H 1 2.268 0.010 . 2 . . . . 98 GLU QG . 15677 1 1196 . 1 1 98 98 GLU C C 13 176.132 0.100 . 1 . . . . 98 GLU C . 15677 1 1197 . 1 1 98 98 GLU CA C 13 57.666 0.100 . 1 . . . . 98 GLU CA . 15677 1 1198 . 1 1 98 98 GLU CB C 13 30.045 0.100 . 1 . . . . 98 GLU CB . 15677 1 1199 . 1 1 98 98 GLU CG C 13 33.000 0.100 . 1 . . . . 98 GLU CG . 15677 1 1200 . 1 1 98 98 GLU N N 15 121.414 0.037 . 1 . . . . 98 GLU N . 15677 1 1201 . 1 1 99 99 GLU H H 1 8.418 0.002 . 1 . . . . 99 GLU H . 15677 1 1202 . 1 1 99 99 GLU HA H 1 4.299 0.010 . 1 . . . . 99 GLU HA . 15677 1 1203 . 1 1 99 99 GLU HB2 H 1 2.016 0.009 . 2 . . . . 99 GLU QB . 15677 1 1204 . 1 1 99 99 GLU HB3 H 1 2.016 0.009 . 2 . . . . 99 GLU QB . 15677 1 1205 . 1 1 99 99 GLU HG2 H 1 2.399 0.006 . 2 . . . . 99 GLU QG . 15677 1 1206 . 1 1 99 99 GLU HG3 H 1 2.399 0.006 . 2 . . . . 99 GLU QG . 15677 1 1207 . 1 1 99 99 GLU C C 13 177.021 0.100 . 1 . . . . 99 GLU C . 15677 1 1208 . 1 1 99 99 GLU CA C 13 57.397 0.100 . 1 . . . . 99 GLU CA . 15677 1 1209 . 1 1 99 99 GLU CB C 13 30.309 0.100 . 1 . . . . 99 GLU CB . 15677 1 1210 . 1 1 99 99 GLU CG C 13 33.000 0.100 . 1 . . . . 99 GLU CG . 15677 1 1211 . 1 1 99 99 GLU N N 15 121.312 0.041 . 1 . . . . 99 GLU N . 15677 1 1212 . 1 1 100 100 ARG H H 1 8.013 0.002 . 1 . . . . 100 ARG H . 15677 1 1213 . 1 1 100 100 ARG HA H 1 4.180 0.010 . 1 . . . . 100 ARG HA . 15677 1 1214 . 1 1 100 100 ARG HB2 H 1 1.749 0.010 . 2 . . . . 100 ARG QB . 15677 1 1215 . 1 1 100 100 ARG HB3 H 1 1.749 0.010 . 2 . . . . 100 ARG QB . 15677 1 1216 . 1 1 100 100 ARG HD2 H 1 3.192 0.010 . 2 . . . . 100 ARG QD . 15677 1 1217 . 1 1 100 100 ARG HD3 H 1 3.192 0.010 . 2 . . . . 100 ARG QD . 15677 1 1218 . 1 1 100 100 ARG HE H 1 7.094 0.010 . 1 . . . . 100 ARG HE . 15677 1 1219 . 1 1 100 100 ARG HG2 H 1 1.663 0.010 . 2 . . . . 100 ARG QG . 15677 1 1220 . 1 1 100 100 ARG HG3 H 1 1.663 0.010 . 2 . . . . 100 ARG QG . 15677 1 1221 . 1 1 100 100 ARG HH11 H 1 6.671 0.010 . 2 . . . . 100 ARG QH1 . 15677 1 1222 . 1 1 100 100 ARG HH12 H 1 6.671 0.010 . 2 . . . . 100 ARG QH1 . 15677 1 1223 . 1 1 100 100 ARG HH21 H 1 6.671 0.010 . 2 . . . . 100 ARG QH2 . 15677 1 1224 . 1 1 100 100 ARG HH22 H 1 6.671 0.010 . 2 . . . . 100 ARG QH2 . 15677 1 1225 . 1 1 100 100 ARG C C 13 176.313 0.100 . 1 . . . . 100 ARG C . 15677 1 1226 . 1 1 100 100 ARG CA C 13 57.238 0.100 . 1 . . . . 100 ARG CA . 15677 1 1227 . 1 1 100 100 ARG CB C 13 30.298 0.100 . 1 . . . . 100 ARG CB . 15677 1 1228 . 1 1 100 100 ARG CD C 13 43.200 0.100 . 1 . . . . 100 ARG CD . 15677 1 1229 . 1 1 100 100 ARG CG C 13 27.165 0.100 . 1 . . . . 100 ARG CG . 15677 1 1230 . 1 1 100 100 ARG N N 15 121.871 0.100 . 1 . . . . 100 ARG N . 15677 1 1231 . 1 1 100 100 ARG NE N 15 108.571 0.100 . 1 . . . . 100 ARG NE . 15677 1 1232 . 1 1 101 101 ARG H H 1 8.260 0.003 . 1 . . . . 101 ARG H . 15677 1 1233 . 1 1 101 101 ARG HA H 1 4.260 0.010 . 1 . . . . 101 ARG HA . 15677 1 1234 . 1 1 101 101 ARG HB2 H 1 1.768 0.010 . 2 . . . . 101 ARG QB . 15677 1 1235 . 1 1 101 101 ARG HB3 H 1 1.768 0.010 . 2 . . . . 101 ARG QB . 15677 1 1236 . 1 1 101 101 ARG HD2 H 1 3.222 0.010 . 2 . . . . 101 ARG QD . 15677 1 1237 . 1 1 101 101 ARG HD3 H 1 3.222 0.010 . 2 . . . . 101 ARG QD . 15677 1 1238 . 1 1 101 101 ARG HE H 1 7.094 0.010 . 1 . . . . 101 ARG HE . 15677 1 1239 . 1 1 101 101 ARG HG2 H 1 1.578 0.010 . 2 . . . . 101 ARG QG . 15677 1 1240 . 1 1 101 101 ARG HG3 H 1 1.578 0.010 . 2 . . . . 101 ARG QG . 15677 1 1241 . 1 1 101 101 ARG HH11 H 1 6.671 0.010 . 2 . . . . 101 ARG QH1 . 15677 1 1242 . 1 1 101 101 ARG HH12 H 1 6.671 0.010 . 2 . . . . 101 ARG QH1 . 15677 1 1243 . 1 1 101 101 ARG HH21 H 1 6.671 0.010 . 2 . . . . 101 ARG QH2 . 15677 1 1244 . 1 1 101 101 ARG HH22 H 1 6.671 0.010 . 2 . . . . 101 ARG QH2 . 15677 1 1245 . 1 1 101 101 ARG C C 13 176.753 0.100 . 1 . . . . 101 ARG C . 15677 1 1246 . 1 1 101 101 ARG CA C 13 56.492 0.100 . 1 . . . . 101 ARG CA . 15677 1 1247 . 1 1 101 101 ARG CB C 13 30.838 0.100 . 1 . . . . 101 ARG CB . 15677 1 1248 . 1 1 101 101 ARG CD C 13 43.200 0.100 . 1 . . . . 101 ARG CD . 15677 1 1249 . 1 1 101 101 ARG CG C 13 27.165 0.100 . 1 . . . . 101 ARG CG . 15677 1 1250 . 1 1 101 101 ARG N N 15 122.019 0.100 . 1 . . . . 101 ARG N . 15677 1 1251 . 1 1 101 101 ARG NE N 15 108.571 0.100 . 1 . . . . 101 ARG NE . 15677 1 1252 . 1 1 102 102 GLY H H 1 8.380 0.002 . 1 . . . . 102 GLY H . 15677 1 1253 . 1 1 102 102 GLY HA2 H 1 3.849 0.010 . 2 . . . . 102 GLY QA . 15677 1 1254 . 1 1 102 102 GLY HA3 H 1 3.849 0.010 . 2 . . . . 102 GLY QA . 15677 1 1255 . 1 1 102 102 GLY C C 13 173.145 0.100 . 1 . . . . 102 GLY C . 15677 1 1256 . 1 1 102 102 GLY CA C 13 45.401 0.100 . 1 . . . . 102 GLY CA . 15677 1 1257 . 1 1 102 102 GLY N N 15 110.110 0.023 . 1 . . . . 102 GLY N . 15677 1 1258 . 1 1 103 103 HIS H H 1 7.992 0.007 . 1 . . . . 103 HIS H . 15677 1 1259 . 1 1 103 103 HIS HA H 1 4.442 0.010 . 1 . . . . 103 HIS HA . 15677 1 1260 . 1 1 103 103 HIS HB2 H 1 3.202 0.010 . 1 . . . . 103 HIS HB2 . 15677 1 1261 . 1 1 103 103 HIS HB3 H 1 3.043 0.010 . 1 . . . . 103 HIS HB3 . 15677 1 1262 . 1 1 103 103 HIS HD2 H 1 6.884 0.010 . 1 . . . . 103 HIS HD2 . 15677 1 1263 . 1 1 103 103 HIS HE1 H 1 8.577 0.010 . 1 . . . . 103 HIS HE1 . 15677 1 1264 . 1 1 103 103 HIS CA C 13 57.164 0.100 . 1 . . . . 103 HIS CA . 15677 1 1265 . 1 1 103 103 HIS CB C 13 29.612 0.100 . 1 . . . . 103 HIS CB . 15677 1 1266 . 1 1 103 103 HIS CD2 C 13 119.982 0.100 . 1 . . . . 103 HIS CD2 . 15677 1 1267 . 1 1 103 103 HIS CE1 C 13 136.494 0.100 . 1 . . . . 103 HIS CE1 . 15677 1 1268 . 1 1 103 103 HIS N N 15 122.017 0.110 . 1 . . . . 103 HIS N . 15677 1 stop_ save_