data_15086 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15086 _Entry.Title ; Solution NMR structure of Hypothetical Protein Cgl2762 from Corynebacterium Glutamicum: Northeast Structural Genomics Consortium Target CgR3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-28 _Entry.Accession_date 2006-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Kiran Kumar' Singarapu . . . 15086 2 Dinesh sukumaran . . . 15086 3 David Parish . . . 15086 4 Chen Chen . X. . 15086 5 Cunningham Kellie . . . 15086 6 Xiao Rong . . . 15086 7 Swapna 'G V T' . . . 15086 8 Gaetano Montelione . T. . 15086 9 Thomas Szyperski . . . 15086 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 15086 '15N chemical shifts' 108 15086 '1H chemical shifts' 671 15086 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-12-28 update BMRB 'complete entry citation' 15086 1 . . 2007-02-23 2006-12-28 original author 'original release' 15086 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JN6 'BMRB Entry Tracking System' 15086 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15086 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18175328 _Citation.Full_citation . _Citation.Title ; NMR structure of protein Cgl2762 from Corynebacterium glutamicum implicated in DNA transposition reveals a helix-turn-helix motif attached to a flexibly disordered leucine zipper. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full 'Proteins: Structure, Function, and Bioinformatics' _Citation.Journal_volume 70 _Citation.Journal_issue 4 _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 1650 _Citation.Page_last 1654 _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 'Kiran Kumar' Singarapu . . . 15086 1 2 Rong Xiao . . . 15086 1 3 Dinesh Sukumaran . K. . 15086 1 4 Thomas Acton . . . 15086 1 5 Gaetano Montelione . T. . 15086 1 6 Thomas Szyperski . . . 15086 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 15086 1 NESGC 15086 1 'Protein Structure' 15086 1 PSI-2 15086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15086 _Assembly.ID 1 _Assembly.Name 'hypothetical protein Cgl2762' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'hypothetical protein Cgl2762' 1 $hypothetical_protein_Cgl2762 A . yes native no no . . . 15086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hypothetical_protein_Cgl2762 _Entity.Sf_category entity _Entity.Sf_framecode hypothetical_protein_Cgl2762 _Entity.Entry_ID 15086 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hypothetical_protein_Cgl2762 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPTKTYSEEFKRDAVALYEN SDGASLQQIANDLGINRVTL KNWIIKYGSNHNVQGTTPSA AVSEAEQIRQLKKENALQRA RTRHPAESCLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11048.383 _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 2JN6 . "Solution Nmr Structure Of Protein Cgl2762 From Corynebacterium Glutamicum: Northeast Structural Genomics Consortium Target Cgr3" . . . . . 100.00 97 100.00 100.00 4.80e-65 . . . . 15086 1 2 no DBJ BAC00156 . "Hypothetical protein [Corynebacterium glutamicum ATCC 13032]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 1 3 no EMBL CAF20784 . "transposase [Corynebacterium glutamicum ATCC 13032]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 1 4 no EMBL CCH25886 . "hypothetical protein WA5_2666 [Corynebacterium glutamicum K051]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 1 5 no GB AGT06475 . "transposase [Corynebacterium glutamicum MB001]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 1 6 no REF NP_601957 . "hypothetical protein NCgl2666 [Corynebacterium glutamicum ATCC 13032]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 1 7 no REF WP_011015358 . "transposase [Corynebacterium glutamicum]" . . . . . 91.75 89 100.00 100.00 1.13e-58 . . . . 15086 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 . MET . 15086 1 2 . PRO . 15086 1 3 . THR . 15086 1 4 . LYS . 15086 1 5 . THR . 15086 1 6 . TYR . 15086 1 7 . SER . 15086 1 8 . GLU . 15086 1 9 . GLU . 15086 1 10 . PHE . 15086 1 11 . LYS . 15086 1 12 . ARG . 15086 1 13 . ASP . 15086 1 14 . ALA . 15086 1 15 . VAL . 15086 1 16 . ALA . 15086 1 17 . LEU . 15086 1 18 . TYR . 15086 1 19 . GLU . 15086 1 20 . ASN . 15086 1 21 . SER . 15086 1 22 . ASP . 15086 1 23 . GLY . 15086 1 24 . ALA . 15086 1 25 . SER . 15086 1 26 . LEU . 15086 1 27 . GLN . 15086 1 28 . GLN . 15086 1 29 . ILE . 15086 1 30 . ALA . 15086 1 31 . ASN . 15086 1 32 . ASP . 15086 1 33 . LEU . 15086 1 34 . GLY . 15086 1 35 . ILE . 15086 1 36 . ASN . 15086 1 37 . ARG . 15086 1 38 . VAL . 15086 1 39 . THR . 15086 1 40 . LEU . 15086 1 41 . LYS . 15086 1 42 . ASN . 15086 1 43 . TRP . 15086 1 44 . ILE . 15086 1 45 . ILE . 15086 1 46 . LYS . 15086 1 47 . TYR . 15086 1 48 . GLY . 15086 1 49 . SER . 15086 1 50 . ASN . 15086 1 51 . HIS . 15086 1 52 . ASN . 15086 1 53 . VAL . 15086 1 54 . GLN . 15086 1 55 . GLY . 15086 1 56 . THR . 15086 1 57 . THR . 15086 1 58 . PRO . 15086 1 59 . SER . 15086 1 60 . ALA . 15086 1 61 . ALA . 15086 1 62 . VAL . 15086 1 63 . SER . 15086 1 64 . GLU . 15086 1 65 . ALA . 15086 1 66 . GLU . 15086 1 67 . GLN . 15086 1 68 . ILE . 15086 1 69 . ARG . 15086 1 70 . GLN . 15086 1 71 . LEU . 15086 1 72 . LYS . 15086 1 73 . LYS . 15086 1 74 . GLU . 15086 1 75 . ASN . 15086 1 76 . ALA . 15086 1 77 . LEU . 15086 1 78 . GLN . 15086 1 79 . ARG . 15086 1 80 . ALA . 15086 1 81 . ARG . 15086 1 82 . THR . 15086 1 83 . ARG . 15086 1 84 . HIS . 15086 1 85 . PRO . 15086 1 86 . ALA . 15086 1 87 . GLU . 15086 1 88 . SER . 15086 1 89 . CYS . 15086 1 90 . LEU . 15086 1 91 . GLU . 15086 1 92 . HIS . 15086 1 93 . HIS . 15086 1 94 . HIS . 15086 1 95 . HIS . 15086 1 96 . HIS . 15086 1 97 . HIS . 15086 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 . MET 1 1 15086 1 . PRO 2 2 15086 1 . THR 3 3 15086 1 . LYS 4 4 15086 1 . THR 5 5 15086 1 . TYR 6 6 15086 1 . SER 7 7 15086 1 . GLU 8 8 15086 1 . GLU 9 9 15086 1 . PHE 10 10 15086 1 . LYS 11 11 15086 1 . ARG 12 12 15086 1 . ASP 13 13 15086 1 . ALA 14 14 15086 1 . VAL 15 15 15086 1 . ALA 16 16 15086 1 . LEU 17 17 15086 1 . TYR 18 18 15086 1 . GLU 19 19 15086 1 . ASN 20 20 15086 1 . SER 21 21 15086 1 . ASP 22 22 15086 1 . GLY 23 23 15086 1 . ALA 24 24 15086 1 . SER 25 25 15086 1 . LEU 26 26 15086 1 . GLN 27 27 15086 1 . GLN 28 28 15086 1 . ILE 29 29 15086 1 . ALA 30 30 15086 1 . ASN 31 31 15086 1 . ASP 32 32 15086 1 . LEU 33 33 15086 1 . GLY 34 34 15086 1 . ILE 35 35 15086 1 . ASN 36 36 15086 1 . ARG 37 37 15086 1 . VAL 38 38 15086 1 . THR 39 39 15086 1 . LEU 40 40 15086 1 . LYS 41 41 15086 1 . ASN 42 42 15086 1 . TRP 43 43 15086 1 . ILE 44 44 15086 1 . ILE 45 45 15086 1 . LYS 46 46 15086 1 . TYR 47 47 15086 1 . GLY 48 48 15086 1 . SER 49 49 15086 1 . ASN 50 50 15086 1 . HIS 51 51 15086 1 . ASN 52 52 15086 1 . VAL 53 53 15086 1 . GLN 54 54 15086 1 . GLY 55 55 15086 1 . THR 56 56 15086 1 . THR 57 57 15086 1 . PRO 58 58 15086 1 . SER 59 59 15086 1 . ALA 60 60 15086 1 . ALA 61 61 15086 1 . VAL 62 62 15086 1 . SER 63 63 15086 1 . GLU 64 64 15086 1 . ALA 65 65 15086 1 . GLU 66 66 15086 1 . GLN 67 67 15086 1 . ILE 68 68 15086 1 . ARG 69 69 15086 1 . GLN 70 70 15086 1 . LEU 71 71 15086 1 . LYS 72 72 15086 1 . LYS 73 73 15086 1 . GLU 74 74 15086 1 . ASN 75 75 15086 1 . ALA 76 76 15086 1 . LEU 77 77 15086 1 . GLN 78 78 15086 1 . ARG 79 79 15086 1 . ALA 80 80 15086 1 . ARG 81 81 15086 1 . THR 82 82 15086 1 . ARG 83 83 15086 1 . HIS 84 84 15086 1 . PRO 85 85 15086 1 . ALA 86 86 15086 1 . GLU 87 87 15086 1 . SER 88 88 15086 1 . CYS 89 89 15086 1 . LEU 90 90 15086 1 . GLU 91 91 15086 1 . HIS 92 92 15086 1 . HIS 93 93 15086 1 . HIS 94 94 15086 1 . HIS 95 95 15086 1 . HIS 96 96 15086 1 . HIS 97 97 15086 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 15086 _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 $hypothetical_protein_Cgl2762 . 1718 organism . 'Corynebacterium glutamicum' 'Corynebacterium glutamicum' . . Bacteria . Corynebacterium glutamicum XL10 . . . . . . . . . . . . . . . . . . . . 15086 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 15086 _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 $hypothetical_protein_Cgl2762 . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3)+magic . . . . . . . . . . . . . . . pET21 . . . . . . 15086 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15086 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'hypothetical protein Cgl2762' '[U-100% 13C; U-100% 15N]' . . 1 $hypothetical_protein_Cgl2762 . . 1.2 . . mM 0.2 . . . 15086 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15086 _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' 100 10 mM 15086 1 pH 4.4 .1 pH 15086 1 pressure 1 . atm 15086 1 temperature 298 1 K 15086 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15086 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15086 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15086 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15086 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15086 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15086 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15086 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15086 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15086 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15086 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione' . . 15086 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15086 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15086 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15086 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15086 5 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15086 _Software.ID 6 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15086 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15086 6 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 15086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15086 _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 Varian INOVA . 750 . . . 15086 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 15086 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 3 '4,3D GFT HNNCABCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 4 '4,3D GFT CABCACONNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 5 '4,3D GFT HABCABCONNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 6 '4,3D GFT HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 8 '3D 13C,15N simulatanious NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15086 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 15086 _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 . . . 1 $entry_citation . . 1 $entry_citation 15086 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15086 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15086 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 15086 _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' . . . 15086 1 3 '4,3D GFT HNNCABCA' . . . 15086 1 4 '4,3D GFT CABCACONNH' . . . 15086 1 5 '4,3D GFT HABCABCONNH' . . . 15086 1 6 '4,3D GFT HCCH TOCSY' . . . 15086 1 7 '3D HCCH-TOCSY' . . . 15086 1 9 '3D HNCO' . . . 15086 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CNS . . 15086 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 2 2 PRO HA H 1 4.477 0.000 . 1 . . . . 2 PRO HA . 15086 1 2 . 1 1 2 2 PRO HB2 H 1 2.061 0.000 . 2 . . . . 2 PRO HB2 . 15086 1 3 . 1 1 2 2 PRO HB3 H 1 2.493 0.000 . 2 . . . . 2 PRO HB3 . 15086 1 4 . 1 1 2 2 PRO HG2 H 1 2.039 0.000 . 2 . . . . 2 PRO HG2 . 15086 1 5 . 1 1 2 2 PRO HG3 H 1 2.077 0.000 . 2 . . . . 2 PRO HG3 . 15086 1 6 . 1 1 2 2 PRO HD2 H 1 3.445 0.000 . 2 . . . . 2 PRO HD2 . 15086 1 7 . 1 1 2 2 PRO HD3 H 1 3.406 0.000 . 2 . . . . 2 PRO HD3 . 15086 1 8 . 1 1 2 2 PRO C C 13 173.760 0.000 . 1 . . . . 2 PRO C . 15086 1 9 . 1 1 2 2 PRO CA C 13 63.194 0.000 . 1 . . . . 2 PRO CA . 15086 1 10 . 1 1 2 2 PRO CB C 13 33.391 0.000 . 1 . . . . 2 PRO CB . 15086 1 11 . 1 1 2 2 PRO CG C 13 27.140 0.000 . 1 . . . . 2 PRO CG . 15086 1 12 . 1 1 2 2 PRO CD C 13 50.040 0.000 . 1 . . . . 2 PRO CD . 15086 1 13 . 1 1 3 3 THR H H 1 8.671 0.000 . 1 . . . . 3 THR H . 15086 1 14 . 1 1 3 3 THR HA H 1 4.332 0.000 . 1 . . . . 3 THR HA . 15086 1 15 . 1 1 3 3 THR HB H 1 4.114 0.000 . 1 . . . . 3 THR HB . 15086 1 16 . 1 1 3 3 THR HG21 H 1 1.222 0.000 . 1 . . . . 3 THR QG2 . 15086 1 17 . 1 1 3 3 THR HG22 H 1 1.222 0.000 . 1 . . . . 3 THR QG2 . 15086 1 18 . 1 1 3 3 THR HG23 H 1 1.222 0.000 . 1 . . . . 3 THR QG2 . 15086 1 19 . 1 1 3 3 THR C C 13 174.941 0.000 . 1 . . . . 3 THR C . 15086 1 20 . 1 1 3 3 THR CA C 13 63.075 0.000 . 1 . . . . 3 THR CA . 15086 1 21 . 1 1 3 3 THR CB C 13 70.569 0.000 . 1 . . . . 3 THR CB . 15086 1 22 . 1 1 3 3 THR CG2 C 13 22.604 0.000 . 1 . . . . 3 THR CG2 . 15086 1 23 . 1 1 3 3 THR N N 15 116.673 0.000 . 1 . . . . 3 THR N . 15086 1 24 . 1 1 4 4 LYS H H 1 8.424 0.000 . 1 . . . . 4 LYS H . 15086 1 25 . 1 1 4 4 LYS HA H 1 4.258 0.000 . 1 . . . . 4 LYS HA . 15086 1 26 . 1 1 4 4 LYS HB2 H 1 1.622 0.001 . 2 . . . . 4 LYS HB2 . 15086 1 27 . 1 1 4 4 LYS HB3 H 1 1.575 0.000 . 2 . . . . 4 LYS HB3 . 15086 1 28 . 1 1 4 4 LYS HG2 H 1 1.234 0.000 . 2 . . . . 4 LYS HG2 . 15086 1 29 . 1 1 4 4 LYS HG3 H 1 1.186 0.000 . 2 . . . . 4 LYS HG3 . 15086 1 30 . 1 1 4 4 LYS HD2 H 1 1.606 0.001 . 2 . . . . 4 LYS HD2 . 15086 1 31 . 1 1 4 4 LYS HD3 H 1 1.608 0.002 . 2 . . . . 4 LYS HD3 . 15086 1 32 . 1 1 4 4 LYS HE2 H 1 2.871 0.003 . 2 . . . . 4 LYS HE2 . 15086 1 33 . 1 1 4 4 LYS HE3 H 1 2.880 0.000 . 2 . . . . 4 LYS HE3 . 15086 1 34 . 1 1 4 4 LYS C C 13 176.525 0.000 . 1 . . . . 4 LYS C . 15086 1 35 . 1 1 4 4 LYS CA C 13 56.880 0.000 . 1 . . . . 4 LYS CA . 15086 1 36 . 1 1 4 4 LYS CB C 13 33.981 0.000 . 1 . . . . 4 LYS CB . 15086 1 37 . 1 1 4 4 LYS CG C 13 25.285 0.000 . 1 . . . . 4 LYS CG . 15086 1 38 . 1 1 4 4 LYS CD C 13 29.723 0.000 . 1 . . . . 4 LYS CD . 15086 1 39 . 1 1 4 4 LYS CE C 13 42.772 0.000 . 1 . . . . 4 LYS CE . 15086 1 40 . 1 1 4 4 LYS N N 15 126.062 0.000 . 1 . . . . 4 LYS N . 15086 1 41 . 1 1 5 5 THR H H 1 8.000 0.000 . 1 . . . . 5 THR H . 15086 1 42 . 1 1 5 5 THR HA H 1 4.355 0.001 . 1 . . . . 5 THR HA . 15086 1 43 . 1 1 5 5 THR HB H 1 4.005 0.000 . 1 . . . . 5 THR HB . 15086 1 44 . 1 1 5 5 THR HG21 H 1 1.095 0.000 . 1 . . . . 5 THR QG2 . 15086 1 45 . 1 1 5 5 THR HG22 H 1 1.095 0.000 . 1 . . . . 5 THR QG2 . 15086 1 46 . 1 1 5 5 THR HG23 H 1 1.095 0.000 . 1 . . . . 5 THR QG2 . 15086 1 47 . 1 1 5 5 THR C C 13 174.274 0.000 . 1 . . . . 5 THR C . 15086 1 48 . 1 1 5 5 THR CA C 13 61.524 0.000 . 1 . . . . 5 THR CA . 15086 1 49 . 1 1 5 5 THR CB C 13 71.093 0.000 . 1 . . . . 5 THR CB . 15086 1 50 . 1 1 5 5 THR CG2 C 13 22.372 0.000 . 1 . . . . 5 THR CG2 . 15086 1 51 . 1 1 5 5 THR N N 15 117.514 0.000 . 1 . . . . 5 THR N . 15086 1 52 . 1 1 6 6 TYR H H 1 8.359 0.000 . 1 . . . . 6 TYR H . 15086 1 53 . 1 1 6 6 TYR HA H 1 4.545 0.000 . 1 . . . . 6 TYR HA . 15086 1 54 . 1 1 6 6 TYR HB2 H 1 2.775 0.000 . 2 . . . . 6 TYR HB2 . 15086 1 55 . 1 1 6 6 TYR HB3 H 1 2.553 0.000 . 2 . . . . 6 TYR HB3 . 15086 1 56 . 1 1 6 6 TYR HD1 H 1 6.795 0.005 . 1 . . . . 6 TYR HD1 . 15086 1 57 . 1 1 6 6 TYR HD2 H 1 6.795 0.005 . 1 . . . . 6 TYR HD2 . 15086 1 58 . 1 1 6 6 TYR HE1 H 1 6.655 0.000 . 1 . . . . 6 TYR HE1 . 15086 1 59 . 1 1 6 6 TYR HE2 H 1 6.655 0.000 . 1 . . . . 6 TYR HE2 . 15086 1 60 . 1 1 6 6 TYR C C 13 176.455 0.000 . 1 . . . . 6 TYR C . 15086 1 61 . 1 1 6 6 TYR CA C 13 57.572 0.000 . 1 . . . . 6 TYR CA . 15086 1 62 . 1 1 6 6 TYR CB C 13 41.715 0.000 . 1 . . . . 6 TYR CB . 15086 1 63 . 1 1 6 6 TYR CD1 C 13 134.152 0.000 . 1 . . . . 6 TYR CD1 . 15086 1 64 . 1 1 6 6 TYR CE1 C 13 118.268 0.000 . 1 . . . . 6 TYR CE1 . 15086 1 65 . 1 1 6 6 TYR N N 15 123.407 0.000 . 1 . . . . 6 TYR N . 15086 1 66 . 1 1 7 7 SER H H 1 8.863 0.001 . 1 . . . . 7 SER H . 15086 1 67 . 1 1 7 7 SER HA H 1 4.401 0.000 . 1 . . . . 7 SER HA . 15086 1 68 . 1 1 7 7 SER HB2 H 1 4.412 0.002 . 2 . . . . 7 SER HB2 . 15086 1 69 . 1 1 7 7 SER HB3 H 1 4.079 0.000 . 2 . . . . 7 SER HB3 . 15086 1 70 . 1 1 7 7 SER C C 13 175.455 0.000 . 1 . . . . 7 SER C . 15086 1 71 . 1 1 7 7 SER CA C 13 57.947 0.000 . 1 . . . . 7 SER CA . 15086 1 72 . 1 1 7 7 SER CB C 13 65.508 0.000 . 1 . . . . 7 SER CB . 15086 1 73 . 1 1 7 7 SER N N 15 120.674 0.000 . 1 . . . . 7 SER N . 15086 1 74 . 1 1 8 8 GLU H H 1 8.915 0.000 . 1 . . . . 8 GLU H . 15086 1 75 . 1 1 8 8 GLU HA H 1 3.596 0.005 . 1 . . . . 8 GLU HA . 15086 1 76 . 1 1 8 8 GLU HB2 H 1 2.004 0.000 . 1 . . . . 8 GLU HB2 . 15086 1 77 . 1 1 8 8 GLU HB3 H 1 2.004 0.000 . 1 . . . . 8 GLU HB3 . 15086 1 78 . 1 1 8 8 GLU HG2 H 1 2.357 0.000 . 2 . . . . 8 GLU HG2 . 15086 1 79 . 1 1 8 8 GLU HG3 H 1 2.246 0.000 . 2 . . . . 8 GLU HG3 . 15086 1 80 . 1 1 8 8 GLU C C 13 179.096 0.000 . 1 . . . . 8 GLU C . 15086 1 81 . 1 1 8 8 GLU CA C 13 60.287 0.000 . 1 . . . . 8 GLU CA . 15086 1 82 . 1 1 8 8 GLU CB C 13 29.630 0.000 . 1 . . . . 8 GLU CB . 15086 1 83 . 1 1 8 8 GLU CG C 13 37.243 0.000 . 1 . . . . 8 GLU CG . 15086 1 84 . 1 1 8 8 GLU N N 15 121.358 0.000 . 1 . . . . 8 GLU N . 15086 1 85 . 1 1 9 9 GLU H H 1 8.407 0.002 . 1 . . . . 9 GLU H . 15086 1 86 . 1 1 9 9 GLU HA H 1 3.717 0.003 . 1 . . . . 9 GLU HA . 15086 1 87 . 1 1 9 9 GLU HB2 H 1 1.873 0.000 . 2 . . . . 9 GLU HB2 . 15086 1 88 . 1 1 9 9 GLU HB3 H 1 2.031 0.000 . 2 . . . . 9 GLU HB3 . 15086 1 89 . 1 1 9 9 GLU HG2 H 1 2.252 0.000 . 2 . . . . 9 GLU HG2 . 15086 1 90 . 1 1 9 9 GLU HG3 H 1 2.339 0.000 . 2 . . . . 9 GLU HG3 . 15086 1 91 . 1 1 9 9 GLU C C 13 178.359 0.000 . 1 . . . . 9 GLU C . 15086 1 92 . 1 1 9 9 GLU CA C 13 60.531 0.000 . 1 . . . . 9 GLU CA . 15086 1 93 . 1 1 9 9 GLU CB C 13 29.511 0.000 . 1 . . . . 9 GLU CB . 15086 1 94 . 1 1 9 9 GLU CG C 13 36.487 0.000 . 1 . . . . 9 GLU CG . 15086 1 95 . 1 1 9 9 GLU N N 15 118.476 0.000 . 1 . . . . 9 GLU N . 15086 1 96 . 1 1 10 10 PHE H H 1 7.894 0.000 . 1 . . . . 10 PHE H . 15086 1 97 . 1 1 10 10 PHE HA H 1 3.968 0.000 . 1 . . . . 10 PHE HA . 15086 1 98 . 1 1 10 10 PHE HB2 H 1 3.219 0.003 . 2 . . . . 10 PHE HB2 . 15086 1 99 . 1 1 10 10 PHE HB3 H 1 3.218 0.000 . 2 . . . . 10 PHE HB3 . 15086 1 100 . 1 1 10 10 PHE HD1 H 1 7.075 0.000 . 1 . . . . 10 PHE HD1 . 15086 1 101 . 1 1 10 10 PHE HD2 H 1 7.075 0.000 . 1 . . . . 10 PHE HD2 . 15086 1 102 . 1 1 10 10 PHE HE1 H 1 7.290 0.000 . 1 . . . . 10 PHE HE1 . 15086 1 103 . 1 1 10 10 PHE HE2 H 1 7.290 0.000 . 1 . . . . 10 PHE HE2 . 15086 1 104 . 1 1 10 10 PHE HZ H 1 7.411 0.002 . 1 . . . . 10 PHE HZ . 15086 1 105 . 1 1 10 10 PHE C C 13 178.943 0.000 . 1 . . . . 10 PHE C . 15086 1 106 . 1 1 10 10 PHE CA C 13 62.309 0.000 . 1 . . . . 10 PHE CA . 15086 1 107 . 1 1 10 10 PHE CB C 13 40.158 0.000 . 1 . . . . 10 PHE CB . 15086 1 108 . 1 1 10 10 PHE CD1 C 13 133.117 0.000 . 1 . . . . 10 PHE CD1 . 15086 1 109 . 1 1 10 10 PHE CE1 C 13 131.742 0.000 . 1 . . . . 10 PHE CE1 . 15086 1 110 . 1 1 10 10 PHE CZ C 13 130.443 0.000 . 1 . . . . 10 PHE CZ . 15086 1 111 . 1 1 10 10 PHE N N 15 121.586 0.000 . 1 . . . . 10 PHE N . 15086 1 112 . 1 1 11 11 LYS H H 1 7.575 0.000 . 1 . . . . 11 LYS H . 15086 1 113 . 1 1 11 11 LYS HA H 1 3.192 0.000 . 1 . . . . 11 LYS HA . 15086 1 114 . 1 1 11 11 LYS HB2 H 1 1.129 0.002 . 2 . . . . 11 LYS HB2 . 15086 1 115 . 1 1 11 11 LYS HB3 H 1 0.421 0.008 . 2 . . . . 11 LYS HB3 . 15086 1 116 . 1 1 11 11 LYS HG2 H 1 -1.447 0.008 . 2 . . . . 11 LYS HG2 . 15086 1 117 . 1 1 11 11 LYS HG3 H 1 0.930 0.000 . 2 . . . . 11 LYS HG3 . 15086 1 118 . 1 1 11 11 LYS HD2 H 1 0.864 0.002 . 2 . . . . 11 LYS HD2 . 15086 1 119 . 1 1 11 11 LYS HD3 H 1 0.662 0.003 . 2 . . . . 11 LYS HD3 . 15086 1 120 . 1 1 11 11 LYS HE2 H 1 2.588 0.005 . 2 . . . . 11 LYS HE2 . 15086 1 121 . 1 1 11 11 LYS HE3 H 1 2.671 0.002 . 2 . . . . 11 LYS HE3 . 15086 1 122 . 1 1 11 11 LYS C C 13 179.234 0.000 . 1 . . . . 11 LYS C . 15086 1 123 . 1 1 11 11 LYS CA C 13 60.013 0.000 . 1 . . . . 11 LYS CA . 15086 1 124 . 1 1 11 11 LYS CB C 13 33.222 0.000 . 1 . . . . 11 LYS CB . 15086 1 125 . 1 1 11 11 LYS CG C 13 24.261 0.000 . 1 . . . . 11 LYS CG . 15086 1 126 . 1 1 11 11 LYS CD C 13 30.630 0.000 . 1 . . . . 11 LYS CD . 15086 1 127 . 1 1 11 11 LYS CE C 13 42.979 0.000 . 1 . . . . 11 LYS CE . 15086 1 128 . 1 1 11 11 LYS N N 15 118.947 0.000 . 1 . . . . 11 LYS N . 15086 1 129 . 1 1 12 12 ARG H H 1 7.814 0.001 . 1 . . . . 12 ARG H . 15086 1 130 . 1 1 12 12 ARG HA H 1 3.389 0.003 . 1 . . . . 12 ARG HA . 15086 1 131 . 1 1 12 12 ARG HB2 H 1 1.590 0.000 . 2 . . . . 12 ARG HB2 . 15086 1 132 . 1 1 12 12 ARG HB3 H 1 1.564 0.000 . 2 . . . . 12 ARG HB3 . 15086 1 133 . 1 1 12 12 ARG HG2 H 1 1.300 0.001 . 2 . . . . 12 ARG HG2 . 15086 1 134 . 1 1 12 12 ARG HG3 H 1 1.048 0.000 . 2 . . . . 12 ARG HG3 . 15086 1 135 . 1 1 12 12 ARG HD2 H 1 3.043 0.000 . 2 . . . . 12 ARG HD2 . 15086 1 136 . 1 1 12 12 ARG HD3 H 1 2.964 0.000 . 2 . . . . 12 ARG HD3 . 15086 1 137 . 1 1 12 12 ARG HE H 1 7.383 0.008 . 1 . . . . 12 ARG HE . 15086 1 138 . 1 1 12 12 ARG C C 13 180.819 0.000 . 1 . . . . 12 ARG C . 15086 1 139 . 1 1 12 12 ARG CA C 13 60.607 0.000 . 1 . . . . 12 ARG CA . 15086 1 140 . 1 1 12 12 ARG CB C 13 30.323 0.000 . 1 . . . . 12 ARG CB . 15086 1 141 . 1 1 12 12 ARG CG C 13 28.993 0.000 . 1 . . . . 12 ARG CG . 15086 1 142 . 1 1 12 12 ARG CD C 13 43.920 0.000 . 1 . . . . 12 ARG CD . 15086 1 143 . 1 1 12 12 ARG N N 15 117.485 0.000 . 1 . . . . 12 ARG N . 15086 1 144 . 1 1 12 12 ARG NE N 15 36.198 0.000 . 1 . . . . 12 ARG NE . 15086 1 145 . 1 1 13 13 ASP H H 1 8.295 0.003 . 1 . . . . 13 ASP H . 15086 1 146 . 1 1 13 13 ASP HA H 1 4.287 0.001 . 1 . . . . 13 ASP HA . 15086 1 147 . 1 1 13 13 ASP HB2 H 1 2.459 0.000 . 2 . . . . 13 ASP HB2 . 15086 1 148 . 1 1 13 13 ASP HB3 H 1 2.683 0.003 . 2 . . . . 13 ASP HB3 . 15086 1 149 . 1 1 13 13 ASP C C 13 178.998 0.000 . 1 . . . . 13 ASP C . 15086 1 150 . 1 1 13 13 ASP CA C 13 57.201 0.000 . 1 . . . . 13 ASP CA . 15086 1 151 . 1 1 13 13 ASP CB C 13 39.311 0.000 . 1 . . . . 13 ASP CB . 15086 1 152 . 1 1 13 13 ASP N N 15 122.021 0.000 . 1 . . . . 13 ASP N . 15086 1 153 . 1 1 14 14 ALA H H 1 8.286 0.000 . 1 . . . . 14 ALA H . 15086 1 154 . 1 1 14 14 ALA HA H 1 3.835 0.000 . 1 . . . . 14 ALA HA . 15086 1 155 . 1 1 14 14 ALA HB1 H 1 1.414 0.001 . 1 . . . . 14 ALA QB . 15086 1 156 . 1 1 14 14 ALA HB2 H 1 1.414 0.001 . 1 . . . . 14 ALA QB . 15086 1 157 . 1 1 14 14 ALA HB3 H 1 1.414 0.001 . 1 . . . . 14 ALA QB . 15086 1 158 . 1 1 14 14 ALA C C 13 179.776 0.000 . 1 . . . . 14 ALA C . 15086 1 159 . 1 1 14 14 ALA CA C 13 55.817 0.000 . 1 . . . . 14 ALA CA . 15086 1 160 . 1 1 14 14 ALA CB C 13 19.181 0.000 . 1 . . . . 14 ALA CB . 15086 1 161 . 1 1 14 14 ALA N N 15 126.000 0.000 . 1 . . . . 14 ALA N . 15086 1 162 . 1 1 15 15 VAL H H 1 7.881 0.000 . 1 . . . . 15 VAL H . 15086 1 163 . 1 1 15 15 VAL HA H 1 3.501 0.000 . 1 . . . . 15 VAL HA . 15086 1 164 . 1 1 15 15 VAL HB H 1 2.109 0.000 . 1 . . . . 15 VAL HB . 15086 1 165 . 1 1 15 15 VAL HG11 H 1 1.215 0.000 . 2 . . . . 15 VAL QG1 . 15086 1 166 . 1 1 15 15 VAL HG12 H 1 1.215 0.000 . 2 . . . . 15 VAL QG1 . 15086 1 167 . 1 1 15 15 VAL HG13 H 1 1.215 0.000 . 2 . . . . 15 VAL QG1 . 15086 1 168 . 1 1 15 15 VAL HG21 H 1 1.007 0.005 . 2 . . . . 15 VAL QG2 . 15086 1 169 . 1 1 15 15 VAL HG22 H 1 1.007 0.005 . 2 . . . . 15 VAL QG2 . 15086 1 170 . 1 1 15 15 VAL HG23 H 1 1.007 0.005 . 2 . . . . 15 VAL QG2 . 15086 1 171 . 1 1 15 15 VAL C C 13 178.220 0.000 . 1 . . . . 15 VAL C . 15086 1 172 . 1 1 15 15 VAL CA C 13 67.639 0.000 . 1 . . . . 15 VAL CA . 15086 1 173 . 1 1 15 15 VAL CB C 13 32.380 0.000 . 1 . . . . 15 VAL CB . 15086 1 174 . 1 1 15 15 VAL CG1 C 13 24.924 0.000 . 1 . . . . 15 VAL CG1 . 15086 1 175 . 1 1 15 15 VAL CG2 C 13 22.625 0.000 . 1 . . . . 15 VAL CG2 . 15086 1 176 . 1 1 15 15 VAL N N 15 117.875 0.000 . 1 . . . . 15 VAL N . 15086 1 177 . 1 1 16 16 ALA H H 1 8.081 0.000 . 1 . . . . 16 ALA H . 15086 1 178 . 1 1 16 16 ALA HA H 1 4.149 0.007 . 1 . . . . 16 ALA HA . 15086 1 179 . 1 1 16 16 ALA HB1 H 1 1.448 0.007 . 1 . . . . 16 ALA QB . 15086 1 180 . 1 1 16 16 ALA HB2 H 1 1.448 0.007 . 1 . . . . 16 ALA QB . 15086 1 181 . 1 1 16 16 ALA HB3 H 1 1.448 0.007 . 1 . . . . 16 ALA QB . 15086 1 182 . 1 1 16 16 ALA C C 13 180.874 0.000 . 1 . . . . 16 ALA C . 15086 1 183 . 1 1 16 16 ALA CA C 13 55.817 0.000 . 1 . . . . 16 ALA CA . 15086 1 184 . 1 1 16 16 ALA CB C 13 18.512 0.000 . 1 . . . . 16 ALA CB . 15086 1 185 . 1 1 16 16 ALA N N 15 123.100 0.000 . 1 . . . . 16 ALA N . 15086 1 186 . 1 1 17 17 LEU H H 1 7.967 0.001 . 1 . . . . 17 LEU H . 15086 1 187 . 1 1 17 17 LEU HA H 1 4.041 0.000 . 1 . . . . 17 LEU HA . 15086 1 188 . 1 1 17 17 LEU HB2 H 1 1.701 0.000 . 2 . . . . 17 LEU HB2 . 15086 1 189 . 1 1 17 17 LEU HB3 H 1 1.858 0.002 . 2 . . . . 17 LEU HB3 . 15086 1 190 . 1 1 17 17 LEU HG H 1 1.559 0.000 . 1 . . . . 17 LEU HG . 15086 1 191 . 1 1 17 17 LEU HD11 H 1 0.839 0.010 . 2 . . . . 17 LEU QD1 . 15086 1 192 . 1 1 17 17 LEU HD12 H 1 0.839 0.010 . 2 . . . . 17 LEU QD1 . 15086 1 193 . 1 1 17 17 LEU HD13 H 1 0.839 0.010 . 2 . . . . 17 LEU QD1 . 15086 1 194 . 1 1 17 17 LEU HD21 H 1 0.885 0.001 . 2 . . . . 17 LEU QD2 . 15086 1 195 . 1 1 17 17 LEU HD22 H 1 0.885 0.001 . 2 . . . . 17 LEU QD2 . 15086 1 196 . 1 1 17 17 LEU HD23 H 1 0.885 0.001 . 2 . . . . 17 LEU QD2 . 15086 1 197 . 1 1 17 17 LEU C C 13 180.805 0.000 . 1 . . . . 17 LEU C . 15086 1 198 . 1 1 17 17 LEU CA C 13 58.668 0.000 . 1 . . . . 17 LEU CA . 15086 1 199 . 1 1 17 17 LEU CB C 13 42.252 0.000 . 1 . . . . 17 LEU CB . 15086 1 200 . 1 1 17 17 LEU CG C 13 27.627 0.000 . 1 . . . . 17 LEU CG . 15086 1 201 . 1 1 17 17 LEU CD1 C 13 24.910 0.000 . 1 . . . . 17 LEU CD1 . 15086 1 202 . 1 1 17 17 LEU CD2 C 13 25.895 0.000 . 1 . . . . 17 LEU CD2 . 15086 1 203 . 1 1 17 17 LEU N N 15 120.170 0.000 . 1 . . . . 17 LEU N . 15086 1 204 . 1 1 18 18 TYR H H 1 7.880 0.000 . 1 . . . . 18 TYR H . 15086 1 205 . 1 1 18 18 TYR HA H 1 4.078 0.000 . 1 . . . . 18 TYR HA . 15086 1 206 . 1 1 18 18 TYR HB2 H 1 3.299 0.003 . 2 . . . . 18 TYR HB2 . 15086 1 207 . 1 1 18 18 TYR HB3 H 1 2.973 0.002 . 2 . . . . 18 TYR HB3 . 15086 1 208 . 1 1 18 18 TYR HD1 H 1 6.902 0.000 . 1 . . . . 18 TYR HD1 . 15086 1 209 . 1 1 18 18 TYR HD2 H 1 6.902 0.000 . 1 . . . . 18 TYR HD2 . 15086 1 210 . 1 1 18 18 TYR HE1 H 1 6.776 0.000 . 1 . . . . 18 TYR HE1 . 15086 1 211 . 1 1 18 18 TYR HE2 H 1 6.776 0.000 . 1 . . . . 18 TYR HE2 . 15086 1 212 . 1 1 18 18 TYR C C 13 179.137 0.000 . 1 . . . . 18 TYR C . 15086 1 213 . 1 1 18 18 TYR CA C 13 62.504 0.000 . 1 . . . . 18 TYR CA . 15086 1 214 . 1 1 18 18 TYR CB C 13 38.802 0.000 . 1 . . . . 18 TYR CB . 15086 1 215 . 1 1 18 18 TYR CD1 C 13 133.230 0.000 . 1 . . . . 18 TYR CD1 . 15086 1 216 . 1 1 18 18 TYR CE1 C 13 119.422 0.000 . 1 . . . . 18 TYR CE1 . 15086 1 217 . 1 1 18 18 TYR N N 15 119.428 0.000 . 1 . . . . 18 TYR N . 15086 1 218 . 1 1 19 19 GLU H H 1 8.903 0.002 . 1 . . . . 19 GLU H . 15086 1 219 . 1 1 19 19 GLU HA H 1 3.753 0.000 . 1 . . . . 19 GLU HA . 15086 1 220 . 1 1 19 19 GLU HB2 H 1 2.095 0.005 . 2 . . . . 19 GLU HB2 . 15086 1 221 . 1 1 19 19 GLU HB3 H 1 2.083 0.000 . 2 . . . . 19 GLU HB3 . 15086 1 222 . 1 1 19 19 GLU HG2 H 1 2.472 0.006 . 2 . . . . 19 GLU HG2 . 15086 1 223 . 1 1 19 19 GLU HG3 H 1 2.828 0.000 . 2 . . . . 19 GLU HG3 . 15086 1 224 . 1 1 19 19 GLU C C 13 178.484 0.000 . 1 . . . . 19 GLU C . 15086 1 225 . 1 1 19 19 GLU CA C 13 59.630 0.000 . 1 . . . . 19 GLU CA . 15086 1 226 . 1 1 19 19 GLU CB C 13 29.616 0.000 . 1 . . . . 19 GLU CB . 15086 1 227 . 1 1 19 19 GLU CG C 13 36.592 0.000 . 1 . . . . 19 GLU CG . 15086 1 228 . 1 1 19 19 GLU N N 15 119.390 0.000 . 1 . . . . 19 GLU N . 15086 1 229 . 1 1 20 20 ASN H H 1 7.992 0.000 . 1 . . . . 20 ASN H . 15086 1 230 . 1 1 20 20 ASN HA H 1 4.817 0.000 . 1 . . . . 20 ASN HA . 15086 1 231 . 1 1 20 20 ASN HB2 H 1 2.902 0.000 . 2 . . . . 20 ASN HB2 . 15086 1 232 . 1 1 20 20 ASN HB3 H 1 2.730 0.002 . 2 . . . . 20 ASN HB3 . 15086 1 233 . 1 1 20 20 ASN HD21 H 1 7.687 0.003 . 2 . . . . 20 ASN HD21 . 15086 1 234 . 1 1 20 20 ASN HD22 H 1 7.022 0.006 . 2 . . . . 20 ASN HD22 . 15086 1 235 . 1 1 20 20 ASN C C 13 176.094 0.000 . 1 . . . . 20 ASN C . 15086 1 236 . 1 1 20 20 ASN CA C 13 54.006 0.000 . 1 . . . . 20 ASN CA . 15086 1 237 . 1 1 20 20 ASN CB C 13 39.792 0.000 . 1 . . . . 20 ASN CB . 15086 1 238 . 1 1 20 20 ASN N N 15 116.272 0.000 . 1 . . . . 20 ASN N . 15086 1 239 . 1 1 20 20 ASN ND2 N 15 114.619 0.000 . 1 . . . . 20 ASN ND2 . 15086 1 240 . 1 1 21 21 SER H H 1 7.321 0.000 . 1 . . . . 21 SER H . 15086 1 241 . 1 1 21 21 SER HA H 1 4.462 0.009 . 1 . . . . 21 SER HA . 15086 1 242 . 1 1 21 21 SER HB2 H 1 3.974 0.008 . 2 . . . . 21 SER HB2 . 15086 1 243 . 1 1 21 21 SER HB3 H 1 3.979 0.001 . 2 . . . . 21 SER HB3 . 15086 1 244 . 1 1 21 21 SER C C 13 174.927 0.000 . 1 . . . . 21 SER C . 15086 1 245 . 1 1 21 21 SER CA C 13 59.494 0.000 . 1 . . . . 21 SER CA . 15086 1 246 . 1 1 21 21 SER CB C 13 64.497 0.000 . 1 . . . . 21 SER CB . 15086 1 247 . 1 1 21 21 SER N N 15 116.410 0.000 . 1 . . . . 21 SER N . 15086 1 248 . 1 1 22 22 ASP H H 1 8.513 0.000 . 1 . . . . 22 ASP H . 15086 1 249 . 1 1 22 22 ASP HA H 1 4.475 0.006 . 1 . . . . 22 ASP HA . 15086 1 250 . 1 1 22 22 ASP HB2 H 1 2.607 0.000 . 2 . . . . 22 ASP HB2 . 15086 1 251 . 1 1 22 22 ASP HB3 H 1 2.793 0.000 . 2 . . . . 22 ASP HB3 . 15086 1 252 . 1 1 22 22 ASP C C 13 177.595 0.000 . 1 . . . . 22 ASP C . 15086 1 253 . 1 1 22 22 ASP CA C 13 55.139 0.000 . 1 . . . . 22 ASP CA . 15086 1 254 . 1 1 22 22 ASP CB C 13 40.619 0.000 . 1 . . . . 22 ASP CB . 15086 1 255 . 1 1 22 22 ASP N N 15 123.059 0.000 . 1 . . . . 22 ASP N . 15086 1 256 . 1 1 23 23 GLY H H 1 8.379 0.000 . 1 . . . . 23 GLY H . 15086 1 257 . 1 1 23 23 GLY HA2 H 1 4.032 0.000 . 2 . . . . 23 GLY HA2 . 15086 1 258 . 1 1 23 23 GLY HA3 H 1 3.674 0.003 . 2 . . . . 23 GLY HA3 . 15086 1 259 . 1 1 23 23 GLY C C 13 175.705 0.000 . 1 . . . . 23 GLY C . 15086 1 260 . 1 1 23 23 GLY CA C 13 46.635 0.000 . 1 . . . . 23 GLY CA . 15086 1 261 . 1 1 23 23 GLY N N 15 109.778 0.000 . 1 . . . . 23 GLY N . 15086 1 262 . 1 1 24 24 ALA H H 1 7.566 0.003 . 1 . . . . 24 ALA H . 15086 1 263 . 1 1 24 24 ALA HA H 1 4.419 0.000 . 1 . . . . 24 ALA HA . 15086 1 264 . 1 1 24 24 ALA HB1 H 1 1.387 0.001 . 1 . . . . 24 ALA QB . 15086 1 265 . 1 1 24 24 ALA HB2 H 1 1.387 0.001 . 1 . . . . 24 ALA QB . 15086 1 266 . 1 1 24 24 ALA HB3 H 1 1.387 0.001 . 1 . . . . 24 ALA QB . 15086 1 267 . 1 1 24 24 ALA C C 13 178.442 0.000 . 1 . . . . 24 ALA C . 15086 1 268 . 1 1 24 24 ALA CA C 13 52.924 0.000 . 1 . . . . 24 ALA CA . 15086 1 269 . 1 1 24 24 ALA CB C 13 20.517 0.000 . 1 . . . . 24 ALA CB . 15086 1 270 . 1 1 24 24 ALA N N 15 123.975 0.000 . 1 . . . . 24 ALA N . 15086 1 271 . 1 1 25 25 SER H H 1 8.475 0.002 . 1 . . . . 25 SER H . 15086 1 272 . 1 1 25 25 SER HA H 1 4.661 0.001 . 1 . . . . 25 SER HA . 15086 1 273 . 1 1 25 25 SER HB2 H 1 4.041 0.000 . 2 . . . . 25 SER HB2 . 15086 1 274 . 1 1 25 25 SER HB3 H 1 4.345 0.000 . 2 . . . . 25 SER HB3 . 15086 1 275 . 1 1 25 25 SER C C 13 175.789 0.000 . 1 . . . . 25 SER C . 15086 1 276 . 1 1 25 25 SER CA C 13 57.667 0.000 . 1 . . . . 25 SER CA . 15086 1 277 . 1 1 25 25 SER CB C 13 65.752 0.000 . 1 . . . . 25 SER CB . 15086 1 278 . 1 1 25 25 SER N N 15 116.854 0.000 . 1 . . . . 25 SER N . 15086 1 279 . 1 1 26 26 LEU H H 1 8.689 0.002 . 1 . . . . 26 LEU H . 15086 1 280 . 1 1 26 26 LEU HA H 1 3.839 0.000 . 1 . . . . 26 LEU HA . 15086 1 281 . 1 1 26 26 LEU HB2 H 1 1.446 0.005 . 2 . . . . 26 LEU HB2 . 15086 1 282 . 1 1 26 26 LEU HB3 H 1 1.693 0.001 . 2 . . . . 26 LEU HB3 . 15086 1 283 . 1 1 26 26 LEU HG H 1 1.423 0.003 . 1 . . . . 26 LEU HG . 15086 1 284 . 1 1 26 26 LEU HD11 H 1 0.601 0.005 . 2 . . . . 26 LEU QD1 . 15086 1 285 . 1 1 26 26 LEU HD12 H 1 0.601 0.005 . 2 . . . . 26 LEU QD1 . 15086 1 286 . 1 1 26 26 LEU HD13 H 1 0.601 0.005 . 2 . . . . 26 LEU QD1 . 15086 1 287 . 1 1 26 26 LEU HD21 H 1 0.536 0.000 . 2 . . . . 26 LEU QD2 . 15086 1 288 . 1 1 26 26 LEU HD22 H 1 0.536 0.000 . 2 . . . . 26 LEU QD2 . 15086 1 289 . 1 1 26 26 LEU HD23 H 1 0.536 0.000 . 2 . . . . 26 LEU QD2 . 15086 1 290 . 1 1 26 26 LEU C C 13 179.429 0.000 . 1 . . . . 26 LEU C . 15086 1 291 . 1 1 26 26 LEU CA C 13 59.691 0.000 . 1 . . . . 26 LEU CA . 15086 1 292 . 1 1 26 26 LEU CB C 13 43.297 0.000 . 1 . . . . 26 LEU CB . 15086 1 293 . 1 1 26 26 LEU CG C 13 28.088 0.000 . 1 . . . . 26 LEU CG . 15086 1 294 . 1 1 26 26 LEU CD1 C 13 26.231 0.000 . 1 . . . . 26 LEU CD1 . 15086 1 295 . 1 1 26 26 LEU CD2 C 13 25.730 0.000 . 1 . . . . 26 LEU CD2 . 15086 1 296 . 1 1 26 26 LEU N N 15 124.286 0.000 . 1 . . . . 26 LEU N . 15086 1 297 . 1 1 27 27 GLN H H 1 8.457 0.005 . 1 . . . . 27 GLN H . 15086 1 298 . 1 1 27 27 GLN HA H 1 3.722 0.000 . 1 . . . . 27 GLN HA . 15086 1 299 . 1 1 27 27 GLN HB2 H 1 1.940 0.000 . 2 . . . . 27 GLN HB2 . 15086 1 300 . 1 1 27 27 GLN HB3 H 1 2.148 0.004 . 2 . . . . 27 GLN HB3 . 15086 1 301 . 1 1 27 27 GLN HG2 H 1 2.394 0.000 . 2 . . . . 27 GLN HG2 . 15086 1 302 . 1 1 27 27 GLN HG3 H 1 2.278 0.000 . 2 . . . . 27 GLN HG3 . 15086 1 303 . 1 1 27 27 GLN HE21 H 1 7.420 0.004 . 2 . . . . 27 GLN HE21 . 15086 1 304 . 1 1 27 27 GLN HE22 H 1 7.147 0.000 . 2 . . . . 27 GLN HE22 . 15086 1 305 . 1 1 27 27 GLN C C 13 178.276 0.000 . 1 . . . . 27 GLN C . 15086 1 306 . 1 1 27 27 GLN CA C 13 59.278 0.000 . 1 . . . . 27 GLN CA . 15086 1 307 . 1 1 27 27 GLN CB C 13 29.680 0.000 . 1 . . . . 27 GLN CB . 15086 1 308 . 1 1 27 27 GLN CG C 13 34.290 0.000 . 1 . . . . 27 GLN CG . 15086 1 309 . 1 1 27 27 GLN N N 15 116.822 0.000 . 1 . . . . 27 GLN N . 15086 1 310 . 1 1 27 27 GLN NE2 N 15 115.163 0.000 . 1 . . . . 27 GLN NE2 . 15086 1 311 . 1 1 28 28 GLN H H 1 7.934 0.000 . 1 . . . . 28 GLN H . 15086 1 312 . 1 1 28 28 GLN HA H 1 3.957 0.000 . 1 . . . . 28 GLN HA . 15086 1 313 . 1 1 28 28 GLN HB2 H 1 2.266 0.000 . 2 . . . . 28 GLN HB2 . 15086 1 314 . 1 1 28 28 GLN HB3 H 1 2.149 0.000 . 2 . . . . 28 GLN HB3 . 15086 1 315 . 1 1 28 28 GLN HG2 H 1 2.420 0.002 . 2 . . . . 28 GLN HG2 . 15086 1 316 . 1 1 28 28 GLN HG3 H 1 2.417 0.001 . 2 . . . . 28 GLN HG3 . 15086 1 317 . 1 1 28 28 GLN HE21 H 1 7.825 0.002 . 2 . . . . 28 GLN HE21 . 15086 1 318 . 1 1 28 28 GLN HE22 H 1 6.955 0.000 . 2 . . . . 28 GLN HE22 . 15086 1 319 . 1 1 28 28 GLN C C 13 179.068 0.000 . 1 . . . . 28 GLN C . 15086 1 320 . 1 1 28 28 GLN CA C 13 59.631 0.000 . 1 . . . . 28 GLN CA . 15086 1 321 . 1 1 28 28 GLN CB C 13 29.518 0.000 . 1 . . . . 28 GLN CB . 15086 1 322 . 1 1 28 28 GLN CG C 13 34.494 0.000 . 1 . . . . 28 GLN CG . 15086 1 323 . 1 1 28 28 GLN N N 15 120.347 0.000 . 1 . . . . 28 GLN N . 15086 1 324 . 1 1 28 28 GLN NE2 N 15 115.134 0.000 . 1 . . . . 28 GLN NE2 . 15086 1 325 . 1 1 29 29 ILE H H 1 7.885 0.002 . 1 . . . . 29 ILE H . 15086 1 326 . 1 1 29 29 ILE HA H 1 3.840 0.000 . 1 . . . . 29 ILE HA . 15086 1 327 . 1 1 29 29 ILE HB H 1 1.973 0.002 . 1 . . . . 29 ILE HB . 15086 1 328 . 1 1 29 29 ILE HG12 H 1 1.695 0.000 . 2 . . . . 29 ILE HG12 . 15086 1 329 . 1 1 29 29 ILE HG13 H 1 1.522 0.003 . 2 . . . . 29 ILE HG13 . 15086 1 330 . 1 1 29 29 ILE HG21 H 1 0.906 0.000 . 1 . . . . 29 ILE QG2 . 15086 1 331 . 1 1 29 29 ILE HG22 H 1 0.906 0.000 . 1 . . . . 29 ILE QG2 . 15086 1 332 . 1 1 29 29 ILE HG23 H 1 0.906 0.000 . 1 . . . . 29 ILE QG2 . 15086 1 333 . 1 1 29 29 ILE HD11 H 1 0.791 0.000 . 1 . . . . 29 ILE QD1 . 15086 1 334 . 1 1 29 29 ILE HD12 H 1 0.791 0.000 . 1 . . . . 29 ILE QD1 . 15086 1 335 . 1 1 29 29 ILE HD13 H 1 0.791 0.000 . 1 . . . . 29 ILE QD1 . 15086 1 336 . 1 1 29 29 ILE C C 13 178.790 0.000 . 1 . . . . 29 ILE C . 15086 1 337 . 1 1 29 29 ILE CA C 13 63.450 0.000 . 1 . . . . 29 ILE CA . 15086 1 338 . 1 1 29 29 ILE CB C 13 36.596 0.000 . 1 . . . . 29 ILE CB . 15086 1 339 . 1 1 29 29 ILE CG1 C 13 28.819 0.000 . 1 . . . . 29 ILE CG1 . 15086 1 340 . 1 1 29 29 ILE CG2 C 13 18.620 0.000 . 1 . . . . 29 ILE CG2 . 15086 1 341 . 1 1 29 29 ILE CD1 C 13 10.830 0.000 . 1 . . . . 29 ILE CD1 . 15086 1 342 . 1 1 29 29 ILE N N 15 119.390 0.000 . 1 . . . . 29 ILE N . 15086 1 343 . 1 1 30 30 ALA H H 1 8.373 0.002 . 1 . . . . 30 ALA H . 15086 1 344 . 1 1 30 30 ALA HA H 1 3.703 0.003 . 1 . . . . 30 ALA HA . 15086 1 345 . 1 1 30 30 ALA HB1 H 1 1.279 0.002 . 1 . . . . 30 ALA QB . 15086 1 346 . 1 1 30 30 ALA HB2 H 1 1.279 0.002 . 1 . . . . 30 ALA QB . 15086 1 347 . 1 1 30 30 ALA HB3 H 1 1.279 0.002 . 1 . . . . 30 ALA QB . 15086 1 348 . 1 1 30 30 ALA C C 13 180.429 0.000 . 1 . . . . 30 ALA C . 15086 1 349 . 1 1 30 30 ALA CA C 13 56.412 0.000 . 1 . . . . 30 ALA CA . 15086 1 350 . 1 1 30 30 ALA CB C 13 17.251 0.000 . 1 . . . . 30 ALA CB . 15086 1 351 . 1 1 30 30 ALA N N 15 122.037 0.000 . 1 . . . . 30 ALA N . 15086 1 352 . 1 1 31 31 ASN H H 1 8.337 0.003 . 1 . . . . 31 ASN H . 15086 1 353 . 1 1 31 31 ASN HA H 1 4.433 0.007 . 1 . . . . 31 ASN HA . 15086 1 354 . 1 1 31 31 ASN HB2 H 1 3.051 0.008 . 2 . . . . 31 ASN HB2 . 15086 1 355 . 1 1 31 31 ASN HB3 H 1 2.933 0.000 . 2 . . . . 31 ASN HB3 . 15086 1 356 . 1 1 31 31 ASN HD21 H 1 7.697 0.001 . 2 . . . . 31 ASN HD21 . 15086 1 357 . 1 1 31 31 ASN HD22 H 1 7.021 0.008 . 2 . . . . 31 ASN HD22 . 15086 1 358 . 1 1 31 31 ASN C C 13 179.790 0.000 . 1 . . . . 31 ASN C . 15086 1 359 . 1 1 31 31 ASN CA C 13 56.565 0.000 . 1 . . . . 31 ASN CA . 15086 1 360 . 1 1 31 31 ASN CB C 13 38.384 0.000 . 1 . . . . 31 ASN CB . 15086 1 361 . 1 1 31 31 ASN N N 15 116.935 0.000 . 1 . . . . 31 ASN N . 15086 1 362 . 1 1 31 31 ASN ND2 N 15 112.164 0.000 . 1 . . . . 31 ASN ND2 . 15086 1 363 . 1 1 32 32 ASP H H 1 8.472 0.001 . 1 . . . . 32 ASP H . 15086 1 364 . 1 1 32 32 ASP HA H 1 4.407 0.000 . 1 . . . . 32 ASP HA . 15086 1 365 . 1 1 32 32 ASP HB2 H 1 2.724 0.005 . 2 . . . . 32 ASP HB2 . 15086 1 366 . 1 1 32 32 ASP HB3 H 1 3.067 0.000 . 2 . . . . 32 ASP HB3 . 15086 1 367 . 1 1 32 32 ASP C C 13 178.957 0.000 . 1 . . . . 32 ASP C . 15086 1 368 . 1 1 32 32 ASP CA C 13 57.690 0.000 . 1 . . . . 32 ASP CA . 15086 1 369 . 1 1 32 32 ASP CB C 13 40.027 0.000 . 1 . . . . 32 ASP CB . 15086 1 370 . 1 1 32 32 ASP N N 15 122.496 0.000 . 1 . . . . 32 ASP N . 15086 1 371 . 1 1 33 33 LEU H H 1 7.937 0.001 . 1 . . . . 33 LEU H . 15086 1 372 . 1 1 33 33 LEU HA H 1 4.426 0.000 . 1 . . . . 33 LEU HA . 15086 1 373 . 1 1 33 33 LEU HB2 H 1 1.669 0.000 . 2 . . . . 33 LEU HB2 . 15086 1 374 . 1 1 33 33 LEU HB3 H 1 1.873 0.000 . 2 . . . . 33 LEU HB3 . 15086 1 375 . 1 1 33 33 LEU HG H 1 1.888 0.000 . 1 . . . . 33 LEU HG . 15086 1 376 . 1 1 33 33 LEU HD11 H 1 0.848 0.006 . 2 . . . . 33 LEU QD1 . 15086 1 377 . 1 1 33 33 LEU HD12 H 1 0.848 0.006 . 2 . . . . 33 LEU QD1 . 15086 1 378 . 1 1 33 33 LEU HD13 H 1 0.848 0.006 . 2 . . . . 33 LEU QD1 . 15086 1 379 . 1 1 33 33 LEU HD21 H 1 0.824 0.000 . 2 . . . . 33 LEU QD2 . 15086 1 380 . 1 1 33 33 LEU HD22 H 1 0.824 0.000 . 2 . . . . 33 LEU QD2 . 15086 1 381 . 1 1 33 33 LEU HD23 H 1 0.824 0.000 . 2 . . . . 33 LEU QD2 . 15086 1 382 . 1 1 33 33 LEU C C 13 178.248 0.000 . 1 . . . . 33 LEU C . 15086 1 383 . 1 1 33 33 LEU CA C 13 55.691 0.000 . 1 . . . . 33 LEU CA . 15086 1 384 . 1 1 33 33 LEU CB C 13 44.940 0.000 . 1 . . . . 33 LEU CB . 15086 1 385 . 1 1 33 33 LEU CG C 13 27.496 0.000 . 1 . . . . 33 LEU CG . 15086 1 386 . 1 1 33 33 LEU CD1 C 13 23.185 0.000 . 1 . . . . 33 LEU CD1 . 15086 1 387 . 1 1 33 33 LEU CD2 C 13 27.689 0.000 . 1 . . . . 33 LEU CD2 . 15086 1 388 . 1 1 33 33 LEU N N 15 118.069 0.000 . 1 . . . . 33 LEU N . 15086 1 389 . 1 1 34 34 GLY H H 1 8.060 0.003 . 1 . . . . 34 GLY H . 15086 1 390 . 1 1 34 34 GLY HA2 H 1 3.972 0.002 . 2 . . . . 34 GLY HA2 . 15086 1 391 . 1 1 34 34 GLY HA3 H 1 4.119 0.000 . 2 . . . . 34 GLY HA3 . 15086 1 392 . 1 1 34 34 GLY C C 13 175.872 0.000 . 1 . . . . 34 GLY C . 15086 1 393 . 1 1 34 34 GLY CA C 13 47.155 0.000 . 1 . . . . 34 GLY CA . 15086 1 394 . 1 1 34 34 GLY N N 15 110.036 0.000 . 1 . . . . 34 GLY N . 15086 1 395 . 1 1 35 35 ILE H H 1 7.957 0.000 . 1 . . . . 35 ILE H . 15086 1 396 . 1 1 35 35 ILE HA H 1 4.726 0.000 . 1 . . . . 35 ILE HA . 15086 1 397 . 1 1 35 35 ILE HB H 1 1.610 0.000 . 1 . . . . 35 ILE HB . 15086 1 398 . 1 1 35 35 ILE HG12 H 1 1.000 0.000 . 2 . . . . 35 ILE HG12 . 15086 1 399 . 1 1 35 35 ILE HG13 H 1 1.098 0.000 . 2 . . . . 35 ILE HG13 . 15086 1 400 . 1 1 35 35 ILE HG21 H 1 0.769 0.000 . 1 . . . . 35 ILE QG2 . 15086 1 401 . 1 1 35 35 ILE HG22 H 1 0.769 0.000 . 1 . . . . 35 ILE QG2 . 15086 1 402 . 1 1 35 35 ILE HG23 H 1 0.769 0.000 . 1 . . . . 35 ILE QG2 . 15086 1 403 . 1 1 35 35 ILE HD11 H 1 0.349 0.000 . 1 . . . . 35 ILE QD1 . 15086 1 404 . 1 1 35 35 ILE HD12 H 1 0.349 0.000 . 1 . . . . 35 ILE QD1 . 15086 1 405 . 1 1 35 35 ILE HD13 H 1 0.349 0.000 . 1 . . . . 35 ILE QD1 . 15086 1 406 . 1 1 35 35 ILE C C 13 175.219 0.000 . 1 . . . . 35 ILE C . 15086 1 407 . 1 1 35 35 ILE CA C 13 59.424 0.000 . 1 . . . . 35 ILE CA . 15086 1 408 . 1 1 35 35 ILE CB C 13 41.892 0.000 . 1 . . . . 35 ILE CB . 15086 1 409 . 1 1 35 35 ILE CG1 C 13 25.420 0.000 . 1 . . . . 35 ILE CG1 . 15086 1 410 . 1 1 35 35 ILE CG2 C 13 17.825 0.000 . 1 . . . . 35 ILE CG2 . 15086 1 411 . 1 1 35 35 ILE CD1 C 13 15.788 0.000 . 1 . . . . 35 ILE CD1 . 15086 1 412 . 1 1 35 35 ILE N N 15 114.255 0.000 . 1 . . . . 35 ILE N . 15086 1 413 . 1 1 36 36 ASN H H 1 8.204 0.002 . 1 . . . . 36 ASN H . 15086 1 414 . 1 1 36 36 ASN HA H 1 4.611 0.004 . 1 . . . . 36 ASN HA . 15086 1 415 . 1 1 36 36 ASN HB2 H 1 2.982 0.000 . 2 . . . . 36 ASN HB2 . 15086 1 416 . 1 1 36 36 ASN HB3 H 1 2.798 0.000 . 2 . . . . 36 ASN HB3 . 15086 1 417 . 1 1 36 36 ASN HD21 H 1 7.771 0.000 . 2 . . . . 36 ASN HD21 . 15086 1 418 . 1 1 36 36 ASN HD22 H 1 7.135 0.000 . 2 . . . . 36 ASN HD22 . 15086 1 419 . 1 1 36 36 ASN C C 13 177.456 0.000 . 1 . . . . 36 ASN C . 15086 1 420 . 1 1 36 36 ASN CA C 13 53.562 0.000 . 1 . . . . 36 ASN CA . 15086 1 421 . 1 1 36 36 ASN CB C 13 40.236 0.000 . 1 . . . . 36 ASN CB . 15086 1 422 . 1 1 36 36 ASN N N 15 119.830 0.000 . 1 . . . . 36 ASN N . 15086 1 423 . 1 1 36 36 ASN ND2 N 15 115.096 0.000 . 1 . . . . 36 ASN ND2 . 15086 1 424 . 1 1 37 37 ARG H H 1 9.015 0.000 . 1 . . . . 37 ARG H . 15086 1 425 . 1 1 37 37 ARG HA H 1 3.489 0.002 . 1 . . . . 37 ARG HA . 15086 1 426 . 1 1 37 37 ARG HB2 H 1 1.687 0.001 . 2 . . . . 37 ARG HB2 . 15086 1 427 . 1 1 37 37 ARG HB3 H 1 1.730 0.002 . 2 . . . . 37 ARG HB3 . 15086 1 428 . 1 1 37 37 ARG HG2 H 1 1.379 0.002 . 2 . . . . 37 ARG HG2 . 15086 1 429 . 1 1 37 37 ARG HG3 H 1 1.486 0.000 . 2 . . . . 37 ARG HG3 . 15086 1 430 . 1 1 37 37 ARG HD2 H 1 3.144 0.000 . 2 . . . . 37 ARG HD2 . 15086 1 431 . 1 1 37 37 ARG HD3 H 1 3.142 0.005 . 2 . . . . 37 ARG HD3 . 15086 1 432 . 1 1 37 37 ARG HE H 1 7.375 0.011 . 1 . . . . 37 ARG HE . 15086 1 433 . 1 1 37 37 ARG C C 13 178.012 0.000 . 1 . . . . 37 ARG C . 15086 1 434 . 1 1 37 37 ARG CA C 13 60.667 0.000 . 1 . . . . 37 ARG CA . 15086 1 435 . 1 1 37 37 ARG CB C 13 30.690 0.000 . 1 . . . . 37 ARG CB . 15086 1 436 . 1 1 37 37 ARG CG C 13 27.757 0.000 . 1 . . . . 37 ARG CG . 15086 1 437 . 1 1 37 37 ARG CD C 13 44.045 0.000 . 1 . . . . 37 ARG CD . 15086 1 438 . 1 1 37 37 ARG N N 15 125.002 0.000 . 1 . . . . 37 ARG N . 15086 1 439 . 1 1 37 37 ARG NE N 15 35.528 0.000 . 1 . . . . 37 ARG NE . 15086 1 440 . 1 1 38 38 VAL H H 1 8.598 0.000 . 1 . . . . 38 VAL H . 15086 1 441 . 1 1 38 38 VAL HA H 1 3.838 0.003 . 1 . . . . 38 VAL HA . 15086 1 442 . 1 1 38 38 VAL HB H 1 1.946 0.000 . 1 . . . . 38 VAL HB . 15086 1 443 . 1 1 38 38 VAL HG11 H 1 2.285 0.000 . 2 . . . . 38 VAL QG1 . 15086 1 444 . 1 1 38 38 VAL HG12 H 1 2.285 0.000 . 2 . . . . 38 VAL QG1 . 15086 1 445 . 1 1 38 38 VAL HG13 H 1 2.285 0.000 . 2 . . . . 38 VAL QG1 . 15086 1 446 . 1 1 38 38 VAL HG21 H 1 2.288 0.000 . 2 . . . . 38 VAL QG2 . 15086 1 447 . 1 1 38 38 VAL HG22 H 1 2.288 0.000 . 2 . . . . 38 VAL QG2 . 15086 1 448 . 1 1 38 38 VAL HG23 H 1 2.288 0.000 . 2 . . . . 38 VAL QG2 . 15086 1 449 . 1 1 38 38 VAL C C 13 179.429 0.000 . 1 . . . . 38 VAL C . 15086 1 450 . 1 1 38 38 VAL CA C 13 59.601 0.000 . 1 . . . . 38 VAL CA . 15086 1 451 . 1 1 38 38 VAL CB C 13 29.353 0.000 . 1 . . . . 38 VAL CB . 15086 1 452 . 1 1 38 38 VAL CG1 C 13 7.969 0.000 . 1 . . . . 38 VAL CG1 . 15086 1 453 . 1 1 38 38 VAL CG2 C 13 8.224 0.000 . 1 . . . . 38 VAL CG2 . 15086 1 454 . 1 1 38 38 VAL N N 15 118.811 0.000 . 1 . . . . 38 VAL N . 15086 1 455 . 1 1 39 39 THR H H 1 7.309 0.000 . 1 . . . . 39 THR H . 15086 1 456 . 1 1 39 39 THR HA H 1 3.624 0.000 . 1 . . . . 39 THR HA . 15086 1 457 . 1 1 39 39 THR HB H 1 3.809 0.000 . 1 . . . . 39 THR HB . 15086 1 458 . 1 1 39 39 THR HG21 H 1 0.449 0.002 . 1 . . . . 39 THR QG2 . 15086 1 459 . 1 1 39 39 THR HG22 H 1 0.449 0.002 . 1 . . . . 39 THR QG2 . 15086 1 460 . 1 1 39 39 THR HG23 H 1 0.449 0.002 . 1 . . . . 39 THR QG2 . 15086 1 461 . 1 1 39 39 THR C C 13 175.288 0.000 . 1 . . . . 39 THR C . 15086 1 462 . 1 1 39 39 THR CA C 13 66.579 0.000 . 1 . . . . 39 THR CA . 15086 1 463 . 1 1 39 39 THR CB C 13 68.621 0.000 . 1 . . . . 39 THR CB . 15086 1 464 . 1 1 39 39 THR CG2 C 13 22.628 0.000 . 1 . . . . 39 THR CG2 . 15086 1 465 . 1 1 39 39 THR N N 15 117.881 0.000 . 1 . . . . 39 THR N . 15086 1 466 . 1 1 40 40 LEU H H 1 6.944 0.003 . 1 . . . . 40 LEU H . 15086 1 467 . 1 1 40 40 LEU HA H 1 3.312 0.000 . 1 . . . . 40 LEU HA . 15086 1 468 . 1 1 40 40 LEU HB2 H 1 0.901 0.001 . 2 . . . . 40 LEU HB2 . 15086 1 469 . 1 1 40 40 LEU HB3 H 1 1.617 0.002 . 2 . . . . 40 LEU HB3 . 15086 1 470 . 1 1 40 40 LEU HG H 1 1.315 0.002 . 1 . . . . 40 LEU HG . 15086 1 471 . 1 1 40 40 LEU HD11 H 1 0.805 0.004 . 2 . . . . 40 LEU QD1 . 15086 1 472 . 1 1 40 40 LEU HD12 H 1 0.805 0.004 . 2 . . . . 40 LEU QD1 . 15086 1 473 . 1 1 40 40 LEU HD13 H 1 0.805 0.004 . 2 . . . . 40 LEU QD1 . 15086 1 474 . 1 1 40 40 LEU HD21 H 1 0.728 0.000 . 2 . . . . 40 LEU QD2 . 15086 1 475 . 1 1 40 40 LEU HD22 H 1 0.728 0.000 . 2 . . . . 40 LEU QD2 . 15086 1 476 . 1 1 40 40 LEU HD23 H 1 0.728 0.000 . 2 . . . . 40 LEU QD2 . 15086 1 477 . 1 1 40 40 LEU C C 13 178.762 0.000 . 1 . . . . 40 LEU C . 15086 1 478 . 1 1 40 40 LEU CA C 13 58.052 0.000 . 1 . . . . 40 LEU CA . 15086 1 479 . 1 1 40 40 LEU CB C 13 41.167 0.000 . 1 . . . . 40 LEU CB . 15086 1 480 . 1 1 40 40 LEU CG C 13 27.509 0.000 . 1 . . . . 40 LEU CG . 15086 1 481 . 1 1 40 40 LEU CD1 C 13 23.325 0.000 . 1 . . . . 40 LEU CD1 . 15086 1 482 . 1 1 40 40 LEU CD2 C 13 28.340 0.000 . 1 . . . . 40 LEU CD2 . 15086 1 483 . 1 1 40 40 LEU N N 15 119.761 0.000 . 1 . . . . 40 LEU N . 15086 1 484 . 1 1 41 41 LYS H H 1 8.082 0.003 . 1 . . . . 41 LYS H . 15086 1 485 . 1 1 41 41 LYS HA H 1 3.657 0.000 . 1 . . . . 41 LYS HA . 15086 1 486 . 1 1 41 41 LYS HB2 H 1 1.855 0.000 . 2 . . . . 41 LYS HB2 . 15086 1 487 . 1 1 41 41 LYS HB3 H 1 1.704 0.001 . 2 . . . . 41 LYS HB3 . 15086 1 488 . 1 1 41 41 LYS HG2 H 1 1.426 0.002 . 2 . . . . 41 LYS HG2 . 15086 1 489 . 1 1 41 41 LYS HG3 H 1 1.293 0.006 . 2 . . . . 41 LYS HG3 . 15086 1 490 . 1 1 41 41 LYS HD2 H 1 1.542 0.000 . 2 . . . . 41 LYS HD2 . 15086 1 491 . 1 1 41 41 LYS HD3 H 1 1.611 0.000 . 2 . . . . 41 LYS HD3 . 15086 1 492 . 1 1 41 41 LYS HE2 H 1 2.857 0.000 . 2 . . . . 41 LYS HE2 . 15086 1 493 . 1 1 41 41 LYS HE3 H 1 2.856 0.000 . 2 . . . . 41 LYS HE3 . 15086 1 494 . 1 1 41 41 LYS C C 13 179.109 0.000 . 1 . . . . 41 LYS C . 15086 1 495 . 1 1 41 41 LYS CA C 13 60.744 0.000 . 1 . . . . 41 LYS CA . 15086 1 496 . 1 1 41 41 LYS CB C 13 32.601 0.000 . 1 . . . . 41 LYS CB . 15086 1 497 . 1 1 41 41 LYS CG C 13 25.831 0.000 . 1 . . . . 41 LYS CG . 15086 1 498 . 1 1 41 41 LYS CD C 13 30.059 0.000 . 1 . . . . 41 LYS CD . 15086 1 499 . 1 1 41 41 LYS CE C 13 42.634 0.000 . 1 . . . . 41 LYS CE . 15086 1 500 . 1 1 41 41 LYS N N 15 118.069 0.000 . 1 . . . . 41 LYS N . 15086 1 501 . 1 1 42 42 ASN H H 1 7.562 0.004 . 1 . . . . 42 ASN H . 15086 1 502 . 1 1 42 42 ASN HA H 1 4.466 0.000 . 1 . . . . 42 ASN HA . 15086 1 503 . 1 1 42 42 ASN HB2 H 1 3.048 0.000 . 2 . . . . 42 ASN HB2 . 15086 1 504 . 1 1 42 42 ASN HB3 H 1 2.904 0.003 . 2 . . . . 42 ASN HB3 . 15086 1 505 . 1 1 42 42 ASN HD21 H 1 6.980 0.000 . 2 . . . . 42 ASN HD21 . 15086 1 506 . 1 1 42 42 ASN HD22 H 1 7.480 0.004 . 2 . . . . 42 ASN HD22 . 15086 1 507 . 1 1 42 42 ASN C C 13 179.610 0.000 . 1 . . . . 42 ASN C . 15086 1 508 . 1 1 42 42 ASN CA C 13 56.905 0.000 . 1 . . . . 42 ASN CA . 15086 1 509 . 1 1 42 42 ASN CB C 13 38.643 0.000 . 1 . . . . 42 ASN CB . 15086 1 510 . 1 1 42 42 ASN N N 15 117.962 0.000 . 1 . . . . 42 ASN N . 15086 1 511 . 1 1 42 42 ASN ND2 N 15 112.991 0.000 . 1 . . . . 42 ASN ND2 . 15086 1 512 . 1 1 43 43 TRP H H 1 8.326 0.001 . 1 . . . . 43 TRP H . 15086 1 513 . 1 1 43 43 TRP HA H 1 4.763 0.003 . 1 . . . . 43 TRP HA . 15086 1 514 . 1 1 43 43 TRP HB2 H 1 3.185 0.000 . 2 . . . . 43 TRP HB2 . 15086 1 515 . 1 1 43 43 TRP HB3 H 1 3.548 0.000 . 2 . . . . 43 TRP HB3 . 15086 1 516 . 1 1 43 43 TRP HD1 H 1 7.195 0.003 . 1 . . . . 43 TRP HD1 . 15086 1 517 . 1 1 43 43 TRP HE1 H 1 10.298 0.000 . 1 . . . . 43 TRP HE1 . 15086 1 518 . 1 1 43 43 TRP HE3 H 1 7.254 0.000 . 1 . . . . 43 TRP HE3 . 15086 1 519 . 1 1 43 43 TRP HZ2 H 1 7.220 0.000 . 1 . . . . 43 TRP HZ2 . 15086 1 520 . 1 1 43 43 TRP HZ3 H 1 6.631 0.003 . 1 . . . . 43 TRP HZ3 . 15086 1 521 . 1 1 43 43 TRP HH2 H 1 6.265 0.004 . 1 . . . . 43 TRP HH2 . 15086 1 522 . 1 1 43 43 TRP C C 13 179.387 0.000 . 1 . . . . 43 TRP C . 15086 1 523 . 1 1 43 43 TRP CA C 13 58.858 0.000 . 1 . . . . 43 TRP CA . 15086 1 524 . 1 1 43 43 TRP CB C 13 29.165 0.000 . 1 . . . . 43 TRP CB . 15086 1 525 . 1 1 43 43 TRP CD1 C 13 125.171 0.000 . 1 . . . . 43 TRP CD1 . 15086 1 526 . 1 1 43 43 TRP CE3 C 13 120.327 0.000 . 1 . . . . 43 TRP CE3 . 15086 1 527 . 1 1 43 43 TRP CZ2 C 13 115.962 0.000 . 1 . . . . 43 TRP CZ2 . 15086 1 528 . 1 1 43 43 TRP CZ3 C 13 121.570 0.000 . 1 . . . . 43 TRP CZ3 . 15086 1 529 . 1 1 43 43 TRP CH2 C 13 124.221 0.000 . 1 . . . . 43 TRP CH2 . 15086 1 530 . 1 1 43 43 TRP N N 15 123.291 0.000 . 1 . . . . 43 TRP N . 15086 1 531 . 1 1 43 43 TRP NE1 N 15 129.549 0.000 . 1 . . . . 43 TRP NE1 . 15086 1 532 . 1 1 44 44 ILE H H 1 8.666 0.000 . 1 . . . . 44 ILE H . 15086 1 533 . 1 1 44 44 ILE HA H 1 3.678 0.000 . 1 . . . . 44 ILE HA . 15086 1 534 . 1 1 44 44 ILE HB H 1 1.931 0.000 . 1 . . . . 44 ILE HB . 15086 1 535 . 1 1 44 44 ILE HG12 H 1 0.919 0.002 . 2 . . . . 44 ILE HG12 . 15086 1 536 . 1 1 44 44 ILE HG13 H 1 1.738 0.003 . 2 . . . . 44 ILE HG13 . 15086 1 537 . 1 1 44 44 ILE HG21 H 1 0.931 0.007 . 1 . . . . 44 ILE QG2 . 15086 1 538 . 1 1 44 44 ILE HG22 H 1 0.931 0.007 . 1 . . . . 44 ILE QG2 . 15086 1 539 . 1 1 44 44 ILE HG23 H 1 0.931 0.007 . 1 . . . . 44 ILE QG2 . 15086 1 540 . 1 1 44 44 ILE HD11 H 1 0.250 0.002 . 1 . . . . 44 ILE QD1 . 15086 1 541 . 1 1 44 44 ILE HD12 H 1 0.250 0.002 . 1 . . . . 44 ILE QD1 . 15086 1 542 . 1 1 44 44 ILE HD13 H 1 0.250 0.002 . 1 . . . . 44 ILE QD1 . 15086 1 543 . 1 1 44 44 ILE C C 13 180.068 0.000 . 1 . . . . 44 ILE C . 15086 1 544 . 1 1 44 44 ILE CA C 13 66.267 0.000 . 1 . . . . 44 ILE CA . 15086 1 545 . 1 1 44 44 ILE CB C 13 38.831 0.000 . 1 . . . . 44 ILE CB . 15086 1 546 . 1 1 44 44 ILE CG1 C 13 31.021 0.000 . 1 . . . . 44 ILE CG1 . 15086 1 547 . 1 1 44 44 ILE CG2 C 13 18.484 0.000 . 1 . . . . 44 ILE CG2 . 15086 1 548 . 1 1 44 44 ILE CD1 C 13 15.965 0.000 . 1 . . . . 44 ILE CD1 . 15086 1 549 . 1 1 44 44 ILE N N 15 122.434 0.000 . 1 . . . . 44 ILE N . 15086 1 550 . 1 1 45 45 ILE H H 1 7.851 0.004 . 1 . . . . 45 ILE H . 15086 1 551 . 1 1 45 45 ILE HA H 1 3.689 0.000 . 1 . . . . 45 ILE HA . 15086 1 552 . 1 1 45 45 ILE HB H 1 1.989 0.000 . 1 . . . . 45 ILE HB . 15086 1 553 . 1 1 45 45 ILE HG12 H 1 1.728 0.000 . 2 . . . . 45 ILE HG12 . 15086 1 554 . 1 1 45 45 ILE HG13 H 1 1.188 0.000 . 2 . . . . 45 ILE HG13 . 15086 1 555 . 1 1 45 45 ILE HG21 H 1 0.899 0.000 . 1 . . . . 45 ILE QG2 . 15086 1 556 . 1 1 45 45 ILE HG22 H 1 0.899 0.000 . 1 . . . . 45 ILE QG2 . 15086 1 557 . 1 1 45 45 ILE HG23 H 1 0.899 0.000 . 1 . . . . 45 ILE QG2 . 15086 1 558 . 1 1 45 45 ILE HD11 H 1 0.874 0.003 . 1 . . . . 45 ILE QD1 . 15086 1 559 . 1 1 45 45 ILE HD12 H 1 0.874 0.003 . 1 . . . . 45 ILE QD1 . 15086 1 560 . 1 1 45 45 ILE HD13 H 1 0.874 0.003 . 1 . . . . 45 ILE QD1 . 15086 1 561 . 1 1 45 45 ILE C C 13 178.679 0.000 . 1 . . . . 45 ILE C . 15086 1 562 . 1 1 45 45 ILE CA C 13 65.398 0.000 . 1 . . . . 45 ILE CA . 15086 1 563 . 1 1 45 45 ILE CB C 13 38.681 0.000 . 1 . . . . 45 ILE CB . 15086 1 564 . 1 1 45 45 ILE CG1 C 13 29.697 0.000 . 1 . . . . 45 ILE CG1 . 15086 1 565 . 1 1 45 45 ILE CG2 C 13 17.846 0.000 . 1 . . . . 45 ILE CG2 . 15086 1 566 . 1 1 45 45 ILE CD1 C 13 13.730 0.000 . 1 . . . . 45 ILE CD1 . 15086 1 567 . 1 1 45 45 ILE N N 15 121.324 0.000 . 1 . . . . 45 ILE N . 15086 1 568 . 1 1 46 46 LYS H H 1 7.561 0.002 . 1 . . . . 46 LYS H . 15086 1 569 . 1 1 46 46 LYS HA H 1 3.983 0.000 . 1 . . . . 46 LYS HA . 15086 1 570 . 1 1 46 46 LYS HB2 H 1 1.359 0.000 . 2 . . . . 46 LYS HB2 . 15086 1 571 . 1 1 46 46 LYS HB3 H 1 1.612 0.002 . 2 . . . . 46 LYS HB3 . 15086 1 572 . 1 1 46 46 LYS HG2 H 1 0.964 0.000 . 2 . . . . 46 LYS HG2 . 15086 1 573 . 1 1 46 46 LYS HG3 H 1 0.486 0.000 . 2 . . . . 46 LYS HG3 . 15086 1 574 . 1 1 46 46 LYS HD2 H 1 1.366 0.000 . 2 . . . . 46 LYS HD2 . 15086 1 575 . 1 1 46 46 LYS HD3 H 1 1.502 0.002 . 2 . . . . 46 LYS HD3 . 15086 1 576 . 1 1 46 46 LYS HE2 H 1 2.826 0.002 . 2 . . . . 46 LYS HE2 . 15086 1 577 . 1 1 46 46 LYS HE3 H 1 2.819 0.000 . 2 . . . . 46 LYS HE3 . 15086 1 578 . 1 1 46 46 LYS C C 13 179.207 0.000 . 1 . . . . 46 LYS C . 15086 1 579 . 1 1 46 46 LYS CA C 13 59.672 0.000 . 1 . . . . 46 LYS CA . 15086 1 580 . 1 1 46 46 LYS CB C 13 34.251 0.000 . 1 . . . . 46 LYS CB . 15086 1 581 . 1 1 46 46 LYS CG C 13 25.386 0.000 . 1 . . . . 46 LYS CG . 15086 1 582 . 1 1 46 46 LYS CD C 13 29.992 0.000 . 1 . . . . 46 LYS CD . 15086 1 583 . 1 1 46 46 LYS CE C 13 42.618 0.000 . 1 . . . . 46 LYS CE . 15086 1 584 . 1 1 46 46 LYS N N 15 119.555 0.000 . 1 . . . . 46 LYS N . 15086 1 585 . 1 1 47 47 TYR H H 1 8.788 0.000 . 1 . . . . 47 TYR H . 15086 1 586 . 1 1 47 47 TYR HA H 1 4.777 0.002 . 1 . . . . 47 TYR HA . 15086 1 587 . 1 1 47 47 TYR HB2 H 1 2.665 0.000 . 2 . . . . 47 TYR HB2 . 15086 1 588 . 1 1 47 47 TYR HB3 H 1 3.329 0.005 . 2 . . . . 47 TYR HB3 . 15086 1 589 . 1 1 47 47 TYR HD1 H 1 7.143 0.004 . 1 . . . . 47 TYR HD1 . 15086 1 590 . 1 1 47 47 TYR HD2 H 1 7.143 0.004 . 1 . . . . 47 TYR HD2 . 15086 1 591 . 1 1 47 47 TYR HE1 H 1 6.607 0.005 . 1 . . . . 47 TYR HE1 . 15086 1 592 . 1 1 47 47 TYR HE2 H 1 6.607 0.005 . 1 . . . . 47 TYR HE2 . 15086 1 593 . 1 1 47 47 TYR C C 13 177.775 0.000 . 1 . . . . 47 TYR C . 15086 1 594 . 1 1 47 47 TYR CA C 13 59.025 0.000 . 1 . . . . 47 TYR CA . 15086 1 595 . 1 1 47 47 TYR CB C 13 40.037 0.000 . 1 . . . . 47 TYR CB . 15086 1 596 . 1 1 47 47 TYR CD1 C 13 133.429 0.000 . 1 . . . . 47 TYR CD1 . 15086 1 597 . 1 1 47 47 TYR CE1 C 13 118.798 0.000 . 1 . . . . 47 TYR CE1 . 15086 1 598 . 1 1 47 47 TYR N N 15 114.356 0.000 . 1 . . . . 47 TYR N . 15086 1 599 . 1 1 48 48 GLY H H 1 8.295 0.003 . 1 . . . . 48 GLY H . 15086 1 600 . 1 1 48 48 GLY HA2 H 1 3.978 0.000 . 2 . . . . 48 GLY HA2 . 15086 1 601 . 1 1 48 48 GLY HA3 H 1 4.188 0.000 . 2 . . . . 48 GLY HA3 . 15086 1 602 . 1 1 48 48 GLY C C 13 175.149 0.000 . 1 . . . . 48 GLY C . 15086 1 603 . 1 1 48 48 GLY CA C 13 46.396 0.000 . 1 . . . . 48 GLY CA . 15086 1 604 . 1 1 48 48 GLY N N 15 110.152 0.000 . 1 . . . . 48 GLY N . 15086 1 605 . 1 1 49 49 SER H H 1 9.235 0.002 . 1 . . . . 49 SER H . 15086 1 606 . 1 1 49 49 SER HA H 1 4.425 0.004 . 1 . . . . 49 SER HA . 15086 1 607 . 1 1 49 49 SER HB2 H 1 3.883 0.000 . 2 . . . . 49 SER HB2 . 15086 1 608 . 1 1 49 49 SER HB3 H 1 3.884 0.000 . 2 . . . . 49 SER HB3 . 15086 1 609 . 1 1 49 49 SER C C 13 175.650 0.000 . 1 . . . . 49 SER C . 15086 1 610 . 1 1 49 49 SER CA C 13 59.757 0.000 . 1 . . . . 49 SER CA . 15086 1 611 . 1 1 49 49 SER CB C 13 64.590 0.000 . 1 . . . . 49 SER CB . 15086 1 612 . 1 1 49 49 SER N N 15 117.783 0.000 . 1 . . . . 49 SER N . 15086 1 613 . 1 1 50 50 ASN H H 1 8.494 0.000 . 1 . . . . 50 ASN H . 15086 1 614 . 1 1 50 50 ASN HA H 1 4.675 0.000 . 1 . . . . 50 ASN HA . 15086 1 615 . 1 1 50 50 ASN HB2 H 1 2.758 0.000 . 2 . . . . 50 ASN HB2 . 15086 1 616 . 1 1 50 50 ASN HB3 H 1 2.845 0.000 . 2 . . . . 50 ASN HB3 . 15086 1 617 . 1 1 50 50 ASN HD21 H 1 7.599 0.000 . 2 . . . . 50 ASN HD21 . 15086 1 618 . 1 1 50 50 ASN HD22 H 1 6.916 0.000 . 2 . . . . 50 ASN HD22 . 15086 1 619 . 1 1 50 50 ASN C C 13 176.205 0.000 . 1 . . . . 50 ASN C . 15086 1 620 . 1 1 50 50 ASN CA C 13 54.095 0.000 . 1 . . . . 50 ASN CA . 15086 1 621 . 1 1 50 50 ASN CB C 13 39.402 0.000 . 1 . . . . 50 ASN CB . 15086 1 622 . 1 1 50 50 ASN N N 15 120.615 0.000 . 1 . . . . 50 ASN N . 15086 1 623 . 1 1 50 50 ASN ND2 N 15 113.306 0.000 . 1 . . . . 50 ASN ND2 . 15086 1 624 . 1 1 51 51 HIS H H 1 8.465 0.000 . 1 . . . . 51 HIS H . 15086 1 625 . 1 1 51 51 HIS HA H 1 4.698 0.000 . 1 . . . . 51 HIS HA . 15086 1 626 . 1 1 51 51 HIS HB2 H 1 3.168 0.000 . 2 . . . . 51 HIS HB2 . 15086 1 627 . 1 1 51 51 HIS HB3 H 1 3.318 0.000 . 2 . . . . 51 HIS HB3 . 15086 1 628 . 1 1 51 51 HIS HD2 H 1 7.080 0.000 . 1 . . . . 51 HIS HD2 . 15086 1 629 . 1 1 51 51 HIS HE1 H 1 8.080 0.000 . 1 . . . . 51 HIS HE1 . 15086 1 630 . 1 1 51 51 HIS C C 13 175.135 0.000 . 1 . . . . 51 HIS C . 15086 1 631 . 1 1 51 51 HIS CA C 13 56.253 0.000 . 1 . . . . 51 HIS CA . 15086 1 632 . 1 1 51 51 HIS CB C 13 29.173 0.000 . 1 . . . . 51 HIS CB . 15086 1 633 . 1 1 51 51 HIS CD2 C 13 119.840 0.000 . 1 . . . . 51 HIS CD2 . 15086 1 634 . 1 1 51 51 HIS CE1 C 13 136.050 0.000 . 1 . . . . 51 HIS CE1 . 15086 1 635 . 1 1 51 51 HIS N N 15 119.380 0.000 . 1 . . . . 51 HIS N . 15086 1 636 . 1 1 52 52 ASN H H 1 8.447 0.000 . 1 . . . . 52 ASN H . 15086 1 637 . 1 1 52 52 ASN HA H 1 4.720 0.000 . 1 . . . . 52 ASN HA . 15086 1 638 . 1 1 52 52 ASN HB2 H 1 2.834 0.002 . 2 . . . . 52 ASN HB2 . 15086 1 639 . 1 1 52 52 ASN HB3 H 1 2.761 0.006 . 2 . . . . 52 ASN HB3 . 15086 1 640 . 1 1 52 52 ASN HD21 H 1 7.599 0.000 . 2 . . . . 52 ASN HD21 . 15086 1 641 . 1 1 52 52 ASN HD22 H 1 6.928 0.001 . 2 . . . . 52 ASN HD22 . 15086 1 642 . 1 1 52 52 ASN C C 13 176.191 0.000 . 1 . . . . 52 ASN C . 15086 1 643 . 1 1 52 52 ASN CA C 13 54.179 0.000 . 1 . . . . 52 ASN CA . 15086 1 644 . 1 1 52 52 ASN CB C 13 39.556 0.000 . 1 . . . . 52 ASN CB . 15086 1 645 . 1 1 52 52 ASN N N 15 120.181 0.000 . 1 . . . . 52 ASN N . 15086 1 646 . 1 1 52 52 ASN ND2 N 15 113.346 0.010 . 1 . . . . 52 ASN ND2 . 15086 1 647 . 1 1 53 53 VAL H H 1 8.159 0.000 . 1 . . . . 53 VAL H . 15086 1 648 . 1 1 53 53 VAL HA H 1 4.119 0.000 . 1 . . . . 53 VAL HA . 15086 1 649 . 1 1 53 53 VAL HB H 1 2.101 0.000 . 1 . . . . 53 VAL HB . 15086 1 650 . 1 1 53 53 VAL HG11 H 1 0.916 0.000 . 2 . . . . 53 VAL QG1 . 15086 1 651 . 1 1 53 53 VAL HG12 H 1 0.916 0.000 . 2 . . . . 53 VAL QG1 . 15086 1 652 . 1 1 53 53 VAL HG13 H 1 0.916 0.000 . 2 . . . . 53 VAL QG1 . 15086 1 653 . 1 1 53 53 VAL HG21 H 1 0.921 0.000 . 2 . . . . 53 VAL QG2 . 15086 1 654 . 1 1 53 53 VAL HG22 H 1 0.921 0.000 . 2 . . . . 53 VAL QG2 . 15086 1 655 . 1 1 53 53 VAL HG23 H 1 0.921 0.000 . 2 . . . . 53 VAL QG2 . 15086 1 656 . 1 1 53 53 VAL C C 13 177.178 0.000 . 1 . . . . 53 VAL C . 15086 1 657 . 1 1 53 53 VAL CA C 13 63.158 0.000 . 1 . . . . 53 VAL CA . 15086 1 658 . 1 1 53 53 VAL CB C 13 33.354 0.000 . 1 . . . . 53 VAL CB . 15086 1 659 . 1 1 53 53 VAL CG1 C 13 22.421 0.000 . 1 . . . . 53 VAL CG1 . 15086 1 660 . 1 1 53 53 VAL CG2 C 13 21.405 0.000 . 1 . . . . 53 VAL CG2 . 15086 1 661 . 1 1 53 53 VAL N N 15 121.138 0.000 . 1 . . . . 53 VAL N . 15086 1 662 . 1 1 54 54 GLN H H 1 8.497 0.000 . 1 . . . . 54 GLN H . 15086 1 663 . 1 1 54 54 GLN HA H 1 4.336 0.000 . 1 . . . . 54 GLN HA . 15086 1 664 . 1 1 54 54 GLN HB2 H 1 2.016 0.000 . 2 . . . . 54 GLN HB2 . 15086 1 665 . 1 1 54 54 GLN HB3 H 1 2.122 0.000 . 2 . . . . 54 GLN HB3 . 15086 1 666 . 1 1 54 54 GLN HG2 H 1 2.397 0.000 . 2 . . . . 54 GLN HG2 . 15086 1 667 . 1 1 54 54 GLN HG3 H 1 2.383 0.000 . 2 . . . . 54 GLN HG3 . 15086 1 668 . 1 1 54 54 GLN HE21 H 1 6.860 0.001 . 2 . . . . 54 GLN HE21 . 15086 1 669 . 1 1 54 54 GLN HE22 H 1 7.522 0.003 . 2 . . . . 54 GLN HE22 . 15086 1 670 . 1 1 54 54 GLN C C 13 177.428 0.000 . 1 . . . . 54 GLN C . 15086 1 671 . 1 1 54 54 GLN CA C 13 56.745 0.000 . 1 . . . . 54 GLN CA . 15086 1 672 . 1 1 54 54 GLN CB C 13 30.213 0.000 . 1 . . . . 54 GLN CB . 15086 1 673 . 1 1 54 54 GLN CG C 13 34.528 0.000 . 1 . . . . 54 GLN CG . 15086 1 674 . 1 1 54 54 GLN N N 15 124.556 0.000 . 1 . . . . 54 GLN N . 15086 1 675 . 1 1 54 54 GLN NE2 N 15 113.049 0.000 . 1 . . . . 54 GLN NE2 . 15086 1 676 . 1 1 55 55 GLY H H 1 8.432 0.000 . 1 . . . . 55 GLY H . 15086 1 677 . 1 1 55 55 GLY HA2 H 1 4.014 0.000 . 2 . . . . 55 GLY HA2 . 15086 1 678 . 1 1 55 55 GLY HA3 H 1 4.015 0.000 . 2 . . . . 55 GLY HA3 . 15086 1 679 . 1 1 55 55 GLY C C 13 175.219 0.000 . 1 . . . . 55 GLY C . 15086 1 680 . 1 1 55 55 GLY CA C 13 46.388 0.000 . 1 . . . . 55 GLY CA . 15086 1 681 . 1 1 55 55 GLY N N 15 110.953 0.000 . 1 . . . . 55 GLY N . 15086 1 682 . 1 1 56 56 THR H H 1 8.092 0.000 . 1 . . . . 56 THR H . 15086 1 683 . 1 1 56 56 THR HA H 1 4.405 0.000 . 1 . . . . 56 THR HA . 15086 1 684 . 1 1 56 56 THR HB H 1 4.208 0.000 . 1 . . . . 56 THR HB . 15086 1 685 . 1 1 56 56 THR HG21 H 1 1.178 0.002 . 1 . . . . 56 THR QG2 . 15086 1 686 . 1 1 56 56 THR HG22 H 1 1.178 0.002 . 1 . . . . 56 THR QG2 . 15086 1 687 . 1 1 56 56 THR HG23 H 1 1.178 0.002 . 1 . . . . 56 THR QG2 . 15086 1 688 . 1 1 56 56 THR C C 13 175.650 0.000 . 1 . . . . 56 THR C . 15086 1 689 . 1 1 56 56 THR CA C 13 62.381 0.000 . 1 . . . . 56 THR CA . 15086 1 690 . 1 1 56 56 THR CB C 13 70.722 0.000 . 1 . . . . 56 THR CB . 15086 1 691 . 1 1 56 56 THR CG2 C 13 22.507 0.000 . 1 . . . . 56 THR CG2 . 15086 1 692 . 1 1 56 56 THR N N 15 114.179 0.000 . 1 . . . . 56 THR N . 15086 1 693 . 1 1 57 57 THR H H 1 8.284 0.000 . 1 . . . . 57 THR H . 15086 1 694 . 1 1 57 57 THR HA H 1 4.629 0.002 . 1 . . . . 57 THR HA . 15086 1 695 . 1 1 57 57 THR HB H 1 4.165 0.000 . 1 . . . . 57 THR HB . 15086 1 696 . 1 1 57 57 THR HG21 H 1 1.252 0.000 . 1 . . . . 57 THR QG2 . 15086 1 697 . 1 1 57 57 THR HG22 H 1 1.252 0.000 . 1 . . . . 57 THR QG2 . 15086 1 698 . 1 1 57 57 THR HG23 H 1 1.252 0.000 . 1 . . . . 57 THR QG2 . 15086 1 699 . 1 1 57 57 THR CA C 13 60.647 0.000 . 1 . . . . 57 THR CA . 15086 1 700 . 1 1 57 57 THR CB C 13 70.376 0.000 . 1 . . . . 57 THR CB . 15086 1 701 . 1 1 57 57 THR CG2 C 13 22.448 0.000 . 1 . . . . 57 THR CG2 . 15086 1 702 . 1 1 57 57 THR N N 15 119.861 0.000 . 1 . . . . 57 THR N . 15086 1 703 . 1 1 58 58 PRO HA H 1 4.444 0.000 . 1 . . . . 58 PRO HA . 15086 1 704 . 1 1 58 58 PRO HB2 H 1 2.317 0.000 . 1 . . . . 58 PRO HB2 . 15086 1 705 . 1 1 58 58 PRO HB3 H 1 2.317 0.000 . 1 . . . . 58 PRO HB3 . 15086 1 706 . 1 1 58 58 PRO HG2 H 1 2.053 0.000 . 2 . . . . 58 PRO HG2 . 15086 1 707 . 1 1 58 58 PRO HG3 H 1 1.992 0.000 . 2 . . . . 58 PRO HG3 . 15086 1 708 . 1 1 58 58 PRO HD2 H 1 3.880 0.003 . 2 . . . . 58 PRO HD2 . 15086 1 709 . 1 1 58 58 PRO HD3 H 1 3.729 0.005 . 2 . . . . 58 PRO HD3 . 15086 1 710 . 1 1 58 58 PRO C C 13 177.678 0.000 . 1 . . . . 58 PRO C . 15086 1 711 . 1 1 58 58 PRO CA C 13 63.931 0.000 . 1 . . . . 58 PRO CA . 15086 1 712 . 1 1 58 58 PRO CB C 13 32.852 0.000 . 1 . . . . 58 PRO CB . 15086 1 713 . 1 1 58 58 PRO CG C 13 28.060 0.000 . 1 . . . . 58 PRO CG . 15086 1 714 . 1 1 58 58 PRO CD C 13 51.743 0.000 . 1 . . . . 58 PRO CD . 15086 1 715 . 1 1 59 59 SER H H 1 8.396 0.000 . 1 . . . . 59 SER H . 15086 1 716 . 1 1 59 59 SER HA H 1 4.773 0.000 . 1 . . . . 59 SER HA . 15086 1 717 . 1 1 59 59 SER HB2 H 1 3.884 0.000 . 1 . . . . 59 SER HB2 . 15086 1 718 . 1 1 59 59 SER HB3 H 1 3.884 0.000 . 1 . . . . 59 SER HB3 . 15086 1 719 . 1 1 59 59 SER C C 13 175.552 0.000 . 1 . . . . 59 SER C . 15086 1 720 . 1 1 59 59 SER CA C 13 59.226 0.000 . 1 . . . . 59 SER CA . 15086 1 721 . 1 1 59 59 SER CB C 13 64.609 0.000 . 1 . . . . 59 SER CB . 15086 1 722 . 1 1 59 59 SER N N 15 116.983 0.000 . 1 . . . . 59 SER N . 15086 1 723 . 1 1 60 60 ALA H H 1 8.336 0.000 . 1 . . . . 60 ALA H . 15086 1 724 . 1 1 60 60 ALA HA H 1 4.306 0.000 . 1 . . . . 60 ALA HA . 15086 1 725 . 1 1 60 60 ALA HB1 H 1 1.393 0.000 . 1 . . . . 60 ALA QB . 15086 1 726 . 1 1 60 60 ALA HB2 H 1 1.393 0.000 . 1 . . . . 60 ALA QB . 15086 1 727 . 1 1 60 60 ALA HB3 H 1 1.393 0.000 . 1 . . . . 60 ALA QB . 15086 1 728 . 1 1 60 60 ALA C C 13 178.609 0.000 . 1 . . . . 60 ALA C . 15086 1 729 . 1 1 60 60 ALA CA C 13 53.371 0.000 . 1 . . . . 60 ALA CA . 15086 1 730 . 1 1 60 60 ALA CB C 13 19.778 0.000 . 1 . . . . 60 ALA CB . 15086 1 731 . 1 1 60 60 ALA N N 15 126.678 0.000 . 1 . . . . 60 ALA N . 15086 1 732 . 1 1 61 61 ALA H H 1 8.204 0.000 . 1 . . . . 61 ALA H . 15086 1 733 . 1 1 61 61 ALA HA H 1 4.296 0.004 . 1 . . . . 61 ALA HA . 15086 1 734 . 1 1 61 61 ALA HB1 H 1 1.372 0.000 . 1 . . . . 61 ALA QB . 15086 1 735 . 1 1 61 61 ALA HB2 H 1 1.372 0.000 . 1 . . . . 61 ALA QB . 15086 1 736 . 1 1 61 61 ALA HB3 H 1 1.372 0.000 . 1 . . . . 61 ALA QB . 15086 1 737 . 1 1 61 61 ALA C C 13 179.179 0.000 . 1 . . . . 61 ALA C . 15086 1 738 . 1 1 61 61 ALA CA C 13 53.423 0.000 . 1 . . . . 61 ALA CA . 15086 1 739 . 1 1 61 61 ALA CB C 13 19.661 0.000 . 1 . . . . 61 ALA CB . 15086 1 740 . 1 1 61 61 ALA N N 15 123.612 0.000 . 1 . . . . 61 ALA N . 15086 1 741 . 1 1 62 62 VAL H H 1 8.001 0.000 . 1 . . . . 62 VAL H . 15086 1 742 . 1 1 62 62 VAL HA H 1 4.108 0.000 . 1 . . . . 62 VAL HA . 15086 1 743 . 1 1 62 62 VAL HB H 1 2.095 0.000 . 1 . . . . 62 VAL HB . 15086 1 744 . 1 1 62 62 VAL HG11 H 1 0.943 0.000 . 2 . . . . 62 VAL QG1 . 15086 1 745 . 1 1 62 62 VAL HG12 H 1 0.943 0.000 . 2 . . . . 62 VAL QG1 . 15086 1 746 . 1 1 62 62 VAL HG13 H 1 0.943 0.000 . 2 . . . . 62 VAL QG1 . 15086 1 747 . 1 1 62 62 VAL HG21 H 1 0.954 0.000 . 2 . . . . 62 VAL QG2 . 15086 1 748 . 1 1 62 62 VAL HG22 H 1 0.954 0.000 . 2 . . . . 62 VAL QG2 . 15086 1 749 . 1 1 62 62 VAL HG23 H 1 0.954 0.000 . 2 . . . . 62 VAL QG2 . 15086 1 750 . 1 1 62 62 VAL C C 13 177.581 0.000 . 1 . . . . 62 VAL C . 15086 1 751 . 1 1 62 62 VAL CA C 13 63.239 0.000 . 1 . . . . 62 VAL CA . 15086 1 752 . 1 1 62 62 VAL CB C 13 33.467 0.000 . 1 . . . . 62 VAL CB . 15086 1 753 . 1 1 62 62 VAL CG1 C 13 21.566 0.000 . 1 . . . . 62 VAL CG1 . 15086 1 754 . 1 1 62 62 VAL CG2 C 13 21.406 0.000 . 1 . . . . 62 VAL CG2 . 15086 1 755 . 1 1 62 62 VAL N N 15 119.900 0.000 . 1 . . . . 62 VAL N . 15086 1 756 . 1 1 63 63 SER H H 1 8.385 0.000 . 1 . . . . 63 SER H . 15086 1 757 . 1 1 63 63 SER HA H 1 4.426 0.002 . 1 . . . . 63 SER HA . 15086 1 758 . 1 1 63 63 SER HB2 H 1 4.047 0.000 . 2 . . . . 63 SER HB2 . 15086 1 759 . 1 1 63 63 SER HB3 H 1 3.927 0.002 . 2 . . . . 63 SER HB3 . 15086 1 760 . 1 1 63 63 SER C C 13 176.233 0.000 . 1 . . . . 63 SER C . 15086 1 761 . 1 1 63 63 SER CA C 13 59.308 0.000 . 1 . . . . 63 SER CA . 15086 1 762 . 1 1 63 63 SER CB C 13 64.488 0.000 . 1 . . . . 63 SER CB . 15086 1 763 . 1 1 63 63 SER N N 15 120.046 0.000 . 1 . . . . 63 SER N . 15086 1 764 . 1 1 64 64 GLU H H 1 8.627 0.000 . 1 . . . . 64 GLU H . 15086 1 765 . 1 1 64 64 GLU HA H 1 4.171 0.000 . 1 . . . . 64 GLU HA . 15086 1 766 . 1 1 64 64 GLU HB2 H 1 2.055 0.003 . 2 . . . . 64 GLU HB2 . 15086 1 767 . 1 1 64 64 GLU HB3 H 1 2.054 0.000 . 2 . . . . 64 GLU HB3 . 15086 1 768 . 1 1 64 64 GLU HG2 H 1 2.387 0.000 . 2 . . . . 64 GLU HG2 . 15086 1 769 . 1 1 64 64 GLU HG3 H 1 2.335 0.000 . 2 . . . . 64 GLU HG3 . 15086 1 770 . 1 1 64 64 GLU C C 13 178.401 0.000 . 1 . . . . 64 GLU C . 15086 1 771 . 1 1 64 64 GLU CA C 13 58.601 0.000 . 1 . . . . 64 GLU CA . 15086 1 772 . 1 1 64 64 GLU CB C 13 30.151 0.000 . 1 . . . . 64 GLU CB . 15086 1 773 . 1 1 64 64 GLU CG C 13 36.106 0.000 . 1 . . . . 64 GLU CG . 15086 1 774 . 1 1 64 64 GLU N N 15 123.946 0.000 . 1 . . . . 64 GLU N . 15086 1 775 . 1 1 65 65 ALA H H 1 8.268 0.000 . 1 . . . . 65 ALA H . 15086 1 776 . 1 1 65 65 ALA HA H 1 4.145 0.000 . 1 . . . . 65 ALA HA . 15086 1 777 . 1 1 65 65 ALA HB1 H 1 1.443 0.000 . 1 . . . . 65 ALA QB . 15086 1 778 . 1 1 65 65 ALA HB2 H 1 1.443 0.000 . 1 . . . . 65 ALA QB . 15086 1 779 . 1 1 65 65 ALA HB3 H 1 1.443 0.000 . 1 . . . . 65 ALA QB . 15086 1 780 . 1 1 65 65 ALA C C 13 180.652 0.000 . 1 . . . . 65 ALA C . 15086 1 781 . 1 1 65 65 ALA CA C 13 55.025 0.000 . 1 . . . . 65 ALA CA . 15086 1 782 . 1 1 65 65 ALA CB C 13 19.114 0.000 . 1 . . . . 65 ALA CB . 15086 1 783 . 1 1 65 65 ALA N N 15 122.717 0.000 . 1 . . . . 65 ALA N . 15086 1 784 . 1 1 66 66 GLU H H 1 8.113 0.000 . 1 . . . . 66 GLU H . 15086 1 785 . 1 1 66 66 GLU HA H 1 4.158 0.000 . 1 . . . . 66 GLU HA . 15086 1 786 . 1 1 66 66 GLU HB2 H 1 2.070 0.000 . 2 . . . . 66 GLU HB2 . 15086 1 787 . 1 1 66 66 GLU HB3 H 1 2.082 0.002 . 2 . . . . 66 GLU HB3 . 15086 1 788 . 1 1 66 66 GLU HG2 H 1 2.334 0.000 . 2 . . . . 66 GLU HG2 . 15086 1 789 . 1 1 66 66 GLU HG3 H 1 2.335 0.000 . 2 . . . . 66 GLU HG3 . 15086 1 790 . 1 1 66 66 GLU C C 13 178.818 0.000 . 1 . . . . 66 GLU C . 15086 1 791 . 1 1 66 66 GLU CA C 13 58.629 0.000 . 1 . . . . 66 GLU CA . 15086 1 792 . 1 1 66 66 GLU CB C 13 30.113 0.010 . 1 . . . . 66 GLU CB . 15086 1 793 . 1 1 66 66 GLU CG C 13 36.279 0.000 . 1 . . . . 66 GLU CG . 15086 1 794 . 1 1 66 66 GLU N N 15 119.800 0.000 . 1 . . . . 66 GLU N . 15086 1 795 . 1 1 67 67 GLN H H 1 8.229 0.003 . 1 . . . . 67 GLN H . 15086 1 796 . 1 1 67 67 GLN HA H 1 4.140 0.000 . 1 . . . . 67 GLN HA . 15086 1 797 . 1 1 67 67 GLN HB2 H 1 2.139 0.000 . 2 . . . . 67 GLN HB2 . 15086 1 798 . 1 1 67 67 GLN HB3 H 1 2.141 0.000 . 2 . . . . 67 GLN HB3 . 15086 1 799 . 1 1 67 67 GLN HG2 H 1 2.443 0.003 . 2 . . . . 67 GLN HG2 . 15086 1 800 . 1 1 67 67 GLN HG3 H 1 2.356 0.000 . 2 . . . . 67 GLN HG3 . 15086 1 801 . 1 1 67 67 GLN HE21 H 1 7.385 0.000 . 2 . . . . 67 GLN HE21 . 15086 1 802 . 1 1 67 67 GLN HE22 H 1 6.849 0.000 . 2 . . . . 67 GLN HE22 . 15086 1 803 . 1 1 67 67 GLN C C 13 178.970 0.000 . 1 . . . . 67 GLN C . 15086 1 804 . 1 1 67 67 GLN CA C 13 58.734 0.000 . 1 . . . . 67 GLN CA . 15086 1 805 . 1 1 67 67 GLN CB C 13 29.616 0.000 . 1 . . . . 67 GLN CB . 15086 1 806 . 1 1 67 67 GLN CG C 13 34.771 0.000 . 1 . . . . 67 GLN CG . 15086 1 807 . 1 1 67 67 GLN N N 15 121.091 0.000 . 1 . . . . 67 GLN N . 15086 1 808 . 1 1 67 67 GLN NE2 N 15 112.595 0.000 . 1 . . . . 67 GLN NE2 . 15086 1 809 . 1 1 68 68 ILE H H 1 8.059 0.000 . 1 . . . . 68 ILE H . 15086 1 810 . 1 1 68 68 ILE HA H 1 3.898 0.000 . 1 . . . . 68 ILE HA . 15086 1 811 . 1 1 68 68 ILE HB H 1 1.927 0.000 . 1 . . . . 68 ILE HB . 15086 1 812 . 1 1 68 68 ILE HG12 H 1 1.608 0.000 . 2 . . . . 68 ILE HG12 . 15086 1 813 . 1 1 68 68 ILE HG13 H 1 1.217 0.000 . 2 . . . . 68 ILE HG13 . 15086 1 814 . 1 1 68 68 ILE HG21 H 1 0.921 0.000 . 1 . . . . 68 ILE QG2 . 15086 1 815 . 1 1 68 68 ILE HG22 H 1 0.921 0.000 . 1 . . . . 68 ILE QG2 . 15086 1 816 . 1 1 68 68 ILE HG23 H 1 0.921 0.000 . 1 . . . . 68 ILE QG2 . 15086 1 817 . 1 1 68 68 ILE HD11 H 1 0.840 0.001 . 1 . . . . 68 ILE QD1 . 15086 1 818 . 1 1 68 68 ILE HD12 H 1 0.840 0.001 . 1 . . . . 68 ILE QD1 . 15086 1 819 . 1 1 68 68 ILE HD13 H 1 0.840 0.001 . 1 . . . . 68 ILE QD1 . 15086 1 820 . 1 1 68 68 ILE C C 13 178.595 0.000 . 1 . . . . 68 ILE C . 15086 1 821 . 1 1 68 68 ILE CA C 13 63.971 0.000 . 1 . . . . 68 ILE CA . 15086 1 822 . 1 1 68 68 ILE CB C 13 38.872 0.000 . 1 . . . . 68 ILE CB . 15086 1 823 . 1 1 68 68 ILE CG1 C 13 29.030 0.000 . 1 . . . . 68 ILE CG1 . 15086 1 824 . 1 1 68 68 ILE CG2 C 13 18.129 0.000 . 1 . . . . 68 ILE CG2 . 15086 1 825 . 1 1 68 68 ILE CD1 C 13 13.512 0.000 . 1 . . . . 68 ILE CD1 . 15086 1 826 . 1 1 68 68 ILE N N 15 120.839 0.000 . 1 . . . . 68 ILE N . 15086 1 827 . 1 1 69 69 ARG H H 1 7.976 0.000 . 1 . . . . 69 ARG H . 15086 1 828 . 1 1 69 69 ARG HA H 1 4.102 0.000 . 1 . . . . 69 ARG HA . 15086 1 829 . 1 1 69 69 ARG HB2 H 1 1.898 0.000 . 2 . . . . 69 ARG HB2 . 15086 1 830 . 1 1 69 69 ARG HB3 H 1 1.896 0.000 . 2 . . . . 69 ARG HB3 . 15086 1 831 . 1 1 69 69 ARG HG2 H 1 1.594 0.000 . 2 . . . . 69 ARG HG2 . 15086 1 832 . 1 1 69 69 ARG HG3 H 1 1.741 0.000 . 2 . . . . 69 ARG HG3 . 15086 1 833 . 1 1 69 69 ARG HD2 H 1 3.229 0.000 . 2 . . . . 69 ARG HD2 . 15086 1 834 . 1 1 69 69 ARG HD3 H 1 3.236 0.000 . 2 . . . . 69 ARG HD3 . 15086 1 835 . 1 1 69 69 ARG HE H 1 7.409 0.001 . 1 . . . . 69 ARG HE . 15086 1 836 . 1 1 69 69 ARG C C 13 179.054 0.000 . 1 . . . . 69 ARG C . 15086 1 837 . 1 1 69 69 ARG CA C 13 59.076 0.000 . 1 . . . . 69 ARG CA . 15086 1 838 . 1 1 69 69 ARG CB C 13 31.403 0.000 . 1 . . . . 69 ARG CB . 15086 1 839 . 1 1 69 69 ARG CG C 13 28.382 0.000 . 1 . . . . 69 ARG CG . 15086 1 840 . 1 1 69 69 ARG CD C 13 44.127 0.000 . 1 . . . . 69 ARG CD . 15086 1 841 . 1 1 69 69 ARG N N 15 122.476 0.000 . 1 . . . . 69 ARG N . 15086 1 842 . 1 1 69 69 ARG NE N 15 35.527 0.000 . 1 . . . . 69 ARG NE . 15086 1 843 . 1 1 70 70 GLN H H 1 8.201 0.001 . 1 . . . . 70 GLN H . 15086 1 844 . 1 1 70 70 GLN HA H 1 4.171 0.000 . 1 . . . . 70 GLN HA . 15086 1 845 . 1 1 70 70 GLN HB2 H 1 2.137 0.000 . 1 . . . . 70 GLN HB2 . 15086 1 846 . 1 1 70 70 GLN HB3 H 1 2.137 0.000 . 1 . . . . 70 GLN HB3 . 15086 1 847 . 1 1 70 70 GLN HG2 H 1 2.463 0.000 . 2 . . . . 70 GLN HG2 . 15086 1 848 . 1 1 70 70 GLN HG3 H 1 2.425 0.000 . 2 . . . . 70 GLN HG3 . 15086 1 849 . 1 1 70 70 GLN HE21 H 1 7.170 0.000 . 2 . . . . 70 GLN HE21 . 15086 1 850 . 1 1 70 70 GLN HE22 H 1 7.055 0.000 . 2 . . . . 70 GLN HE22 . 15086 1 851 . 1 1 70 70 GLN C C 13 178.776 0.000 . 1 . . . . 70 GLN C . 15086 1 852 . 1 1 70 70 GLN CA C 13 58.095 0.000 . 1 . . . . 70 GLN CA . 15086 1 853 . 1 1 70 70 GLN CB C 13 29.369 0.000 . 1 . . . . 70 GLN CB . 15086 1 854 . 1 1 70 70 GLN CG C 13 34.446 0.000 . 1 . . . . 70 GLN CG . 15086 1 855 . 1 1 70 70 GLN N N 15 120.099 0.000 . 1 . . . . 70 GLN N . 15086 1 856 . 1 1 71 71 LEU H H 1 8.078 0.001 . 1 . . . . 71 LEU H . 15086 1 857 . 1 1 71 71 LEU HA H 1 4.223 0.000 . 1 . . . . 71 LEU HA . 15086 1 858 . 1 1 71 71 LEU HB2 H 1 1.753 0.005 . 2 . . . . 71 LEU HB2 . 15086 1 859 . 1 1 71 71 LEU HB3 H 1 1.604 0.000 . 2 . . . . 71 LEU HB3 . 15086 1 860 . 1 1 71 71 LEU HG H 1 1.440 0.000 . 1 . . . . 71 LEU HG . 15086 1 861 . 1 1 71 71 LEU HD11 H 1 0.910 0.000 . 2 . . . . 71 LEU QD1 . 15086 1 862 . 1 1 71 71 LEU HD12 H 1 0.910 0.000 . 2 . . . . 71 LEU QD1 . 15086 1 863 . 1 1 71 71 LEU HD13 H 1 0.910 0.000 . 2 . . . . 71 LEU QD1 . 15086 1 864 . 1 1 71 71 LEU HD21 H 1 0.869 0.000 . 2 . . . . 71 LEU QD2 . 15086 1 865 . 1 1 71 71 LEU HD22 H 1 0.869 0.000 . 2 . . . . 71 LEU QD2 . 15086 1 866 . 1 1 71 71 LEU HD23 H 1 0.869 0.000 . 2 . . . . 71 LEU QD2 . 15086 1 867 . 1 1 71 71 LEU C C 13 179.387 0.000 . 1 . . . . 71 LEU C . 15086 1 868 . 1 1 71 71 LEU CA C 13 57.109 0.000 . 1 . . . . 71 LEU CA . 15086 1 869 . 1 1 71 71 LEU CB C 13 42.742 0.000 . 1 . . . . 71 LEU CB . 15086 1 870 . 1 1 71 71 LEU CG C 13 27.719 0.000 . 1 . . . . 71 LEU CG . 15086 1 871 . 1 1 71 71 LEU CD1 C 13 24.030 0.000 . 1 . . . . 71 LEU CD1 . 15086 1 872 . 1 1 71 71 LEU CD2 C 13 24.100 0.000 . 1 . . . . 71 LEU CD2 . 15086 1 873 . 1 1 71 71 LEU N N 15 122.848 0.000 . 1 . . . . 71 LEU N . 15086 1 874 . 1 1 72 72 LYS H H 1 8.162 0.000 . 1 . . . . 72 LYS H . 15086 1 875 . 1 1 72 72 LYS HA H 1 4.146 0.000 . 1 . . . . 72 LYS HA . 15086 1 876 . 1 1 72 72 LYS HB2 H 1 1.896 0.000 . 2 . . . . 72 LYS HB2 . 15086 1 877 . 1 1 72 72 LYS HB3 H 1 1.894 0.000 . 2 . . . . 72 LYS HB3 . 15086 1 878 . 1 1 72 72 LYS HG2 H 1 2.181 0.000 . 2 . . . . 72 LYS HG2 . 15086 1 879 . 1 1 72 72 LYS HG3 H 1 2.187 0.000 . 2 . . . . 72 LYS HG3 . 15086 1 880 . 1 1 72 72 LYS HD2 H 1 1.586 0.000 . 2 . . . . 72 LYS HD2 . 15086 1 881 . 1 1 72 72 LYS HD3 H 1 1.597 0.000 . 2 . . . . 72 LYS HD3 . 15086 1 882 . 1 1 72 72 LYS HE2 H 1 3.219 0.000 . 2 . . . . 72 LYS HE2 . 15086 1 883 . 1 1 72 72 LYS HE3 H 1 3.213 0.000 . 2 . . . . 72 LYS HE3 . 15086 1 884 . 1 1 72 72 LYS C C 13 178.345 0.000 . 1 . . . . 72 LYS C . 15086 1 885 . 1 1 72 72 LYS CA C 13 57.249 0.000 . 1 . . . . 72 LYS CA . 15086 1 886 . 1 1 72 72 LYS CB C 13 31.105 0.000 . 1 . . . . 72 LYS CB . 15086 1 887 . 1 1 72 72 LYS CG C 13 29.498 0.000 . 1 . . . . 72 LYS CG . 15086 1 888 . 1 1 72 72 LYS CD C 13 28.780 0.000 . 1 . . . . 72 LYS CD . 15086 1 889 . 1 1 72 72 LYS CE C 13 44.274 0.000 . 1 . . . . 72 LYS CE . 15086 1 890 . 1 1 72 72 LYS N N 15 120.894 0.000 . 1 . . . . 72 LYS N . 15086 1 891 . 1 1 73 73 LYS H H 1 8.424 0.000 . 1 . . . . 73 LYS H . 15086 1 892 . 1 1 73 73 LYS HA H 1 4.631 0.000 . 1 . . . . 73 LYS HA . 15086 1 893 . 1 1 73 73 LYS HB2 H 1 2.065 0.000 . 1 . . . . 73 LYS HB2 . 15086 1 894 . 1 1 73 73 LYS HB3 H 1 2.065 0.000 . 1 . . . . 73 LYS HB3 . 15086 1 895 . 1 1 73 73 LYS HG2 H 1 1.380 0.000 . 2 . . . . 73 LYS HG2 . 15086 1 896 . 1 1 73 73 LYS HG3 H 1 1.370 0.000 . 2 . . . . 73 LYS HG3 . 15086 1 897 . 1 1 73 73 LYS HD2 H 1 1.610 0.000 . 1 . . . . 73 LYS HD2 . 15086 1 898 . 1 1 73 73 LYS HD3 H 1 1.610 0.000 . 1 . . . . 73 LYS HD3 . 15086 1 899 . 1 1 73 73 LYS HE2 H 1 2.930 0.000 . 1 . . . . 73 LYS HE2 . 15086 1 900 . 1 1 73 73 LYS HE3 H 1 2.930 0.000 . 1 . . . . 73 LYS HE3 . 15086 1 901 . 1 1 73 73 LYS C C 13 175.399 0.000 . 1 . . . . 73 LYS C . 15086 1 902 . 1 1 73 73 LYS CA C 13 56.026 0.000 . 1 . . . . 73 LYS CA . 15086 1 903 . 1 1 73 73 LYS CB C 13 29.677 0.000 . 1 . . . . 73 LYS CB . 15086 1 904 . 1 1 73 73 LYS CG C 13 24.910 0.000 . 1 . . . . 73 LYS CG . 15086 1 905 . 1 1 73 73 LYS CD C 13 28.780 0.000 . 1 . . . . 73 LYS CD . 15086 1 906 . 1 1 73 73 LYS CE C 13 41.780 0.000 . 1 . . . . 73 LYS CE . 15086 1 907 . 1 1 73 73 LYS N N 15 119.808 0.000 . 1 . . . . 73 LYS N . 15086 1 908 . 1 1 74 74 GLU H H 1 8.495 0.000 . 1 . . . . 74 GLU H . 15086 1 909 . 1 1 74 74 GLU HA H 1 4.204 0.000 . 1 . . . . 74 GLU HA . 15086 1 910 . 1 1 74 74 GLU HB2 H 1 2.056 0.000 . 2 . . . . 74 GLU HB2 . 15086 1 911 . 1 1 74 74 GLU HB3 H 1 1.890 0.000 . 2 . . . . 74 GLU HB3 . 15086 1 912 . 1 1 74 74 GLU HG2 H 1 2.312 0.006 . 2 . . . . 74 GLU HG2 . 15086 1 913 . 1 1 74 74 GLU HG3 H 1 2.310 0.000 . 2 . . . . 74 GLU HG3 . 15086 1 914 . 1 1 74 74 GLU C C 13 177.261 0.000 . 1 . . . . 74 GLU C . 15086 1 915 . 1 1 74 74 GLU CA C 13 56.075 0.000 . 1 . . . . 74 GLU CA . 15086 1 916 . 1 1 74 74 GLU CB C 13 29.813 0.000 . 1 . . . . 74 GLU CB . 15086 1 917 . 1 1 74 74 GLU CG C 13 36.229 0.000 . 1 . . . . 74 GLU CG . 15086 1 918 . 1 1 74 74 GLU N N 15 119.324 0.000 . 1 . . . . 74 GLU N . 15086 1 919 . 1 1 75 75 ASN H H 1 8.425 0.000 . 1 . . . . 75 ASN H . 15086 1 920 . 1 1 75 75 ASN HA H 1 4.611 0.000 . 1 . . . . 75 ASN HA . 15086 1 921 . 1 1 75 75 ASN HB2 H 1 2.843 0.000 . 2 . . . . 75 ASN HB2 . 15086 1 922 . 1 1 75 75 ASN HB3 H 1 2.841 0.000 . 2 . . . . 75 ASN HB3 . 15086 1 923 . 1 1 75 75 ASN HD21 H 1 7.644 0.000 . 2 . . . . 75 ASN HD21 . 15086 1 924 . 1 1 75 75 ASN HD22 H 1 6.913 0.005 . 2 . . . . 75 ASN HD22 . 15086 1 925 . 1 1 75 75 ASN C C 13 177.053 0.000 . 1 . . . . 75 ASN C . 15086 1 926 . 1 1 75 75 ASN CA C 13 54.940 0.000 . 1 . . . . 75 ASN CA . 15086 1 927 . 1 1 75 75 ASN CB C 13 39.531 0.000 . 1 . . . . 75 ASN CB . 15086 1 928 . 1 1 75 75 ASN N N 15 119.638 0.000 . 1 . . . . 75 ASN N . 15086 1 929 . 1 1 75 75 ASN ND2 N 15 113.306 0.000 . 1 . . . . 75 ASN ND2 . 15086 1 930 . 1 1 76 76 ALA H H 1 8.140 0.000 . 1 . . . . 76 ALA H . 15086 1 931 . 1 1 76 76 ALA HA H 1 4.198 0.000 . 1 . . . . 76 ALA HA . 15086 1 932 . 1 1 76 76 ALA HB1 H 1 1.460 0.000 . 1 . . . . 76 ALA QB . 15086 1 933 . 1 1 76 76 ALA HB2 H 1 1.460 0.000 . 1 . . . . 76 ALA QB . 15086 1 934 . 1 1 76 76 ALA HB3 H 1 1.460 0.000 . 1 . . . . 76 ALA QB . 15086 1 935 . 1 1 76 76 ALA C C 13 180.000 0.000 . 1 . . . . 76 ALA C . 15086 1 936 . 1 1 76 76 ALA CA C 13 54.611 0.000 . 1 . . . . 76 ALA CA . 15086 1 937 . 1 1 76 76 ALA CB C 13 19.493 0.000 . 1 . . . . 76 ALA CB . 15086 1 938 . 1 1 76 76 ALA N N 15 123.979 0.000 . 1 . . . . 76 ALA N . 15086 1 939 . 1 1 77 77 LEU H H 1 8.051 0.000 . 1 . . . . 77 LEU H . 15086 1 940 . 1 1 77 77 LEU HA H 1 4.201 0.004 . 1 . . . . 77 LEU HA . 15086 1 941 . 1 1 77 77 LEU HB2 H 1 1.605 0.000 . 2 . . . . 77 LEU HB2 . 15086 1 942 . 1 1 77 77 LEU HB3 H 1 1.754 0.000 . 2 . . . . 77 LEU HB3 . 15086 1 943 . 1 1 77 77 LEU HG H 1 1.722 0.000 . 1 . . . . 77 LEU HG . 15086 1 944 . 1 1 77 77 LEU HD11 H 1 0.928 0.000 . 2 . . . . 77 LEU QD1 . 15086 1 945 . 1 1 77 77 LEU HD12 H 1 0.928 0.000 . 2 . . . . 77 LEU QD1 . 15086 1 946 . 1 1 77 77 LEU HD13 H 1 0.928 0.000 . 2 . . . . 77 LEU QD1 . 15086 1 947 . 1 1 77 77 LEU HD21 H 1 0.879 0.000 . 2 . . . . 77 LEU QD2 . 15086 1 948 . 1 1 77 77 LEU HD22 H 1 0.879 0.000 . 2 . . . . 77 LEU QD2 . 15086 1 949 . 1 1 77 77 LEU HD23 H 1 0.879 0.000 . 2 . . . . 77 LEU QD2 . 15086 1 950 . 1 1 77 77 LEU C C 13 179.332 0.000 . 1 . . . . 77 LEU C . 15086 1 951 . 1 1 77 77 LEU CA C 13 58.094 0.000 . 1 . . . . 77 LEU CA . 15086 1 952 . 1 1 77 77 LEU CB C 13 42.039 0.000 . 1 . . . . 77 LEU CB . 15086 1 953 . 1 1 77 77 LEU CG C 13 27.717 0.000 . 1 . . . . 77 LEU CG . 15086 1 954 . 1 1 77 77 LEU CD1 C 13 25.693 0.000 . 1 . . . . 77 LEU CD1 . 15086 1 955 . 1 1 77 77 LEU CD2 C 13 24.293 0.000 . 1 . . . . 77 LEU CD2 . 15086 1 956 . 1 1 77 77 LEU N N 15 120.665 0.000 . 1 . . . . 77 LEU N . 15086 1 957 . 1 1 78 78 GLN H H 1 8.112 0.000 . 1 . . . . 78 GLN H . 15086 1 958 . 1 1 78 78 GLN HA H 1 4.201 0.000 . 1 . . . . 78 GLN HA . 15086 1 959 . 1 1 78 78 GLN HB2 H 1 2.080 0.000 . 2 . . . . 78 GLN HB2 . 15086 1 960 . 1 1 78 78 GLN HB3 H 1 2.078 0.000 . 2 . . . . 78 GLN HB3 . 15086 1 961 . 1 1 78 78 GLN HG2 H 1 2.404 0.000 . 2 . . . . 78 GLN HG2 . 15086 1 962 . 1 1 78 78 GLN HG3 H 1 2.410 0.000 . 2 . . . . 78 GLN HG3 . 15086 1 963 . 1 1 78 78 GLN HE21 H 1 7.170 0.000 . 2 . . . . 78 GLN HE21 . 15086 1 964 . 1 1 78 78 GLN HE22 H 1 7.070 0.000 . 2 . . . . 78 GLN HE22 . 15086 1 965 . 1 1 78 78 GLN C C 13 178.165 0.000 . 1 . . . . 78 GLN C . 15086 1 966 . 1 1 78 78 GLN CA C 13 57.636 0.000 . 1 . . . . 78 GLN CA . 15086 1 967 . 1 1 78 78 GLN CB C 13 29.624 0.000 . 1 . . . . 78 GLN CB . 15086 1 968 . 1 1 78 78 GLN CG C 13 34.251 0.000 . 1 . . . . 78 GLN CG . 15086 1 969 . 1 1 78 78 GLN N N 15 120.302 0.000 . 1 . . . . 78 GLN N . 15086 1 970 . 1 1 79 79 ARG H H 1 8.151 0.000 . 1 . . . . 79 ARG H . 15086 1 971 . 1 1 79 79 ARG HA H 1 4.223 0.000 . 1 . . . . 79 ARG HA . 15086 1 972 . 1 1 79 79 ARG HB2 H 1 1.820 0.000 . 2 . . . . 79 ARG HB2 . 15086 1 973 . 1 1 79 79 ARG HB3 H 1 1.823 0.000 . 2 . . . . 79 ARG HB3 . 15086 1 974 . 1 1 79 79 ARG HG2 H 1 1.687 0.000 . 2 . . . . 79 ARG HG2 . 15086 1 975 . 1 1 79 79 ARG HG3 H 1 1.686 0.000 . 2 . . . . 79 ARG HG3 . 15086 1 976 . 1 1 79 79 ARG HD2 H 1 3.203 0.000 . 2 . . . . 79 ARG HD2 . 15086 1 977 . 1 1 79 79 ARG HD3 H 1 3.202 0.000 . 2 . . . . 79 ARG HD3 . 15086 1 978 . 1 1 79 79 ARG C C 13 177.817 0.000 . 1 . . . . 79 ARG C . 15086 1 979 . 1 1 79 79 ARG CA C 13 57.727 0.000 . 1 . . . . 79 ARG CA . 15086 1 980 . 1 1 79 79 ARG CB C 13 31.299 0.000 . 1 . . . . 79 ARG CB . 15086 1 981 . 1 1 79 79 ARG CG C 13 27.867 0.000 . 1 . . . . 79 ARG CG . 15086 1 982 . 1 1 79 79 ARG CD C 13 44.026 0.000 . 1 . . . . 79 ARG CD . 15086 1 983 . 1 1 79 79 ARG N N 15 121.266 0.000 . 1 . . . . 79 ARG N . 15086 1 984 . 1 1 80 80 ALA H H 1 8.075 0.000 . 1 . . . . 80 ALA H . 15086 1 985 . 1 1 80 80 ALA HA H 1 4.267 0.000 . 1 . . . . 80 ALA HA . 15086 1 986 . 1 1 80 80 ALA HB1 H 1 1.442 0.000 . 1 . . . . 80 ALA QB . 15086 1 987 . 1 1 80 80 ALA HB2 H 1 1.442 0.000 . 1 . . . . 80 ALA QB . 15086 1 988 . 1 1 80 80 ALA HB3 H 1 1.442 0.000 . 1 . . . . 80 ALA QB . 15086 1 989 . 1 1 80 80 ALA C C 13 179.207 0.000 . 1 . . . . 80 ALA C . 15086 1 990 . 1 1 80 80 ALA CA C 13 53.833 0.000 . 1 . . . . 80 ALA CA . 15086 1 991 . 1 1 80 80 ALA CB C 13 19.651 0.000 . 1 . . . . 80 ALA CB . 15086 1 992 . 1 1 80 80 ALA N N 15 124.124 0.000 . 1 . . . . 80 ALA N . 15086 1 993 . 1 1 81 81 ARG H H 1 8.129 0.000 . 1 . . . . 81 ARG H . 15086 1 994 . 1 1 81 81 ARG HA H 1 4.330 0.000 . 1 . . . . 81 ARG HA . 15086 1 995 . 1 1 81 81 ARG HB2 H 1 1.830 0.000 . 2 . . . . 81 ARG HB2 . 15086 1 996 . 1 1 81 81 ARG HB3 H 1 1.909 0.000 . 2 . . . . 81 ARG HB3 . 15086 1 997 . 1 1 81 81 ARG HG2 H 1 1.741 0.000 . 2 . . . . 81 ARG HG2 . 15086 1 998 . 1 1 81 81 ARG HG3 H 1 1.649 0.000 . 2 . . . . 81 ARG HG3 . 15086 1 999 . 1 1 81 81 ARG HD2 H 1 3.211 0.000 . 2 . . . . 81 ARG HD2 . 15086 1 1000 . 1 1 81 81 ARG HD3 H 1 3.204 0.000 . 2 . . . . 81 ARG HD3 . 15086 1 1001 . 1 1 81 81 ARG C C 13 177.775 0.000 . 1 . . . . 81 ARG C . 15086 1 1002 . 1 1 81 81 ARG CA C 13 57.288 0.000 . 1 . . . . 81 ARG CA . 15086 1 1003 . 1 1 81 81 ARG CB C 13 31.395 0.000 . 1 . . . . 81 ARG CB . 15086 1 1004 . 1 1 81 81 ARG CG C 13 28.049 0.000 . 1 . . . . 81 ARG CG . 15086 1 1005 . 1 1 81 81 ARG CD C 13 44.086 0.000 . 1 . . . . 81 ARG CD . 15086 1 1006 . 1 1 81 81 ARG N N 15 119.956 0.000 . 1 . . . . 81 ARG N . 15086 1 1007 . 1 1 82 82 THR H H 1 7.984 0.000 . 1 . . . . 82 THR H . 15086 1 1008 . 1 1 82 82 THR HA H 1 4.282 0.000 . 1 . . . . 82 THR HA . 15086 1 1009 . 1 1 82 82 THR HB H 1 4.184 0.000 . 1 . . . . 82 THR HB . 15086 1 1010 . 1 1 82 82 THR HG21 H 1 1.183 0.002 . 1 . . . . 82 THR QG2 . 15086 1 1011 . 1 1 82 82 THR HG22 H 1 1.183 0.002 . 1 . . . . 82 THR QG2 . 15086 1 1012 . 1 1 82 82 THR HG23 H 1 1.183 0.002 . 1 . . . . 82 THR QG2 . 15086 1 1013 . 1 1 82 82 THR C C 13 175.358 0.000 . 1 . . . . 82 THR C . 15086 1 1014 . 1 1 82 82 THR CA C 13 62.714 0.000 . 1 . . . . 82 THR CA . 15086 1 1015 . 1 1 82 82 THR CB C 13 70.517 0.000 . 1 . . . . 82 THR CB . 15086 1 1016 . 1 1 82 82 THR CG2 C 13 22.463 0.000 . 1 . . . . 82 THR CG2 . 15086 1 1017 . 1 1 82 82 THR N N 15 115.167 0.000 . 1 . . . . 82 THR N . 15086 1 1018 . 1 1 83 83 ARG H H 1 8.227 0.000 . 1 . . . . 83 ARG H . 15086 1 1019 . 1 1 83 83 ARG HA H 1 4.289 0.000 . 1 . . . . 83 ARG HA . 15086 1 1020 . 1 1 83 83 ARG HB2 H 1 1.772 0.000 . 2 . . . . 83 ARG HB2 . 15086 1 1021 . 1 1 83 83 ARG HB3 H 1 1.724 0.000 . 2 . . . . 83 ARG HB3 . 15086 1 1022 . 1 1 83 83 ARG HG2 H 1 1.622 0.000 . 2 . . . . 83 ARG HG2 . 15086 1 1023 . 1 1 83 83 ARG HG3 H 1 1.562 0.000 . 2 . . . . 83 ARG HG3 . 15086 1 1024 . 1 1 83 83 ARG HD2 H 1 3.169 0.000 . 1 . . . . 83 ARG HD2 . 15086 1 1025 . 1 1 83 83 ARG HD3 H 1 3.169 0.000 . 1 . . . . 83 ARG HD3 . 15086 1 1026 . 1 1 83 83 ARG C C 13 176.747 0.000 . 1 . . . . 83 ARG C . 15086 1 1027 . 1 1 83 83 ARG CA C 13 56.678 0.000 . 1 . . . . 83 ARG CA . 15086 1 1028 . 1 1 83 83 ARG CB C 13 31.595 0.000 . 1 . . . . 83 ARG CB . 15086 1 1029 . 1 1 83 83 ARG CG C 13 27.846 0.000 . 1 . . . . 83 ARG CG . 15086 1 1030 . 1 1 83 83 ARG CD C 13 43.950 0.000 . 1 . . . . 83 ARG CD . 15086 1 1031 . 1 1 83 83 ARG N N 15 123.924 0.000 . 1 . . . . 83 ARG N . 15086 1 1032 . 1 1 84 84 HIS H H 1 8.510 0.000 . 1 . . . . 84 HIS H . 15086 1 1033 . 1 1 84 84 HIS HA H 1 4.985 0.003 . 1 . . . . 84 HIS HA . 15086 1 1034 . 1 1 84 84 HIS HB2 H 1 3.121 0.000 . 2 . . . . 84 HIS HB2 . 15086 1 1035 . 1 1 84 84 HIS HB3 H 1 3.240 0.000 . 2 . . . . 84 HIS HB3 . 15086 1 1036 . 1 1 84 84 HIS HD2 H 1 6.878 0.000 . 1 . . . . 84 HIS HD2 . 15086 1 1037 . 1 1 84 84 HIS HE1 H 1 8.080 0.000 . 1 . . . . 84 HIS HE1 . 15086 1 1038 . 1 1 84 84 HIS CA C 13 53.852 0.000 . 1 . . . . 84 HIS CA . 15086 1 1039 . 1 1 84 84 HIS CB C 13 29.308 0.000 . 1 . . . . 84 HIS CB . 15086 1 1040 . 1 1 84 84 HIS CD2 C 13 119.840 0.000 . 1 . . . . 84 HIS CD2 . 15086 1 1041 . 1 1 84 84 HIS CE1 C 13 136.050 0.000 . 1 . . . . 84 HIS CE1 . 15086 1 1042 . 1 1 84 84 HIS N N 15 120.972 0.000 . 1 . . . . 84 HIS N . 15086 1 1043 . 1 1 85 85 PRO HA H 1 4.419 0.000 . 1 . . . . 85 PRO HA . 15086 1 1044 . 1 1 85 85 PRO HB2 H 1 2.315 0.000 . 2 . . . . 85 PRO HB2 . 15086 1 1045 . 1 1 85 85 PRO HB3 H 1 1.938 0.004 . 2 . . . . 85 PRO HB3 . 15086 1 1046 . 1 1 85 85 PRO HG2 H 1 2.008 0.000 . 2 . . . . 85 PRO HG2 . 15086 1 1047 . 1 1 85 85 PRO HG3 H 1 1.978 0.000 . 2 . . . . 85 PRO HG3 . 15086 1 1048 . 1 1 85 85 PRO HD2 H 1 3.721 0.001 . 2 . . . . 85 PRO HD2 . 15086 1 1049 . 1 1 85 85 PRO HD3 H 1 3.576 0.005 . 2 . . . . 85 PRO HD3 . 15086 1 1050 . 1 1 85 85 PRO C C 13 177.706 0.000 . 1 . . . . 85 PRO C . 15086 1 1051 . 1 1 85 85 PRO CA C 13 63.931 0.000 . 1 . . . . 85 PRO CA . 15086 1 1052 . 1 1 85 85 PRO CB C 13 32.817 0.000 . 1 . . . . 85 PRO CB . 15086 1 1053 . 1 1 85 85 PRO CG C 13 28.069 0.000 . 1 . . . . 85 PRO CG . 15086 1 1054 . 1 1 85 85 PRO CD C 13 51.370 0.000 . 1 . . . . 85 PRO CD . 15086 1 1055 . 1 1 86 86 ALA H H 1 8.544 0.000 . 1 . . . . 86 ALA H . 15086 1 1056 . 1 1 86 86 ALA HA H 1 4.302 0.003 . 1 . . . . 86 ALA HA . 15086 1 1057 . 1 1 86 86 ALA HB1 H 1 1.405 0.000 . 1 . . . . 86 ALA QB . 15086 1 1058 . 1 1 86 86 ALA HB2 H 1 1.405 0.000 . 1 . . . . 86 ALA QB . 15086 1 1059 . 1 1 86 86 ALA HB3 H 1 1.405 0.000 . 1 . . . . 86 ALA QB . 15086 1 1060 . 1 1 86 86 ALA C C 13 178.970 0.000 . 1 . . . . 86 ALA C . 15086 1 1061 . 1 1 86 86 ALA CA C 13 53.466 0.000 . 1 . . . . 86 ALA CA . 15086 1 1062 . 1 1 86 86 ALA CB C 13 19.762 0.000 . 1 . . . . 86 ALA CB . 15086 1 1063 . 1 1 86 86 ALA N N 15 125.151 0.000 . 1 . . . . 86 ALA N . 15086 1 1064 . 1 1 87 87 GLU H H 1 8.432 0.000 . 1 . . . . 87 GLU H . 15086 1 1065 . 1 1 87 87 GLU HA H 1 4.305 0.000 . 1 . . . . 87 GLU HA . 15086 1 1066 . 1 1 87 87 GLU HB2 H 1 1.979 0.000 . 2 . . . . 87 GLU HB2 . 15086 1 1067 . 1 1 87 87 GLU HB3 H 1 2.084 0.000 . 2 . . . . 87 GLU HB3 . 15086 1 1068 . 1 1 87 87 GLU HG2 H 1 2.323 0.003 . 2 . . . . 87 GLU HG2 . 15086 1 1069 . 1 1 87 87 GLU HG3 H 1 2.320 0.000 . 2 . . . . 87 GLU HG3 . 15086 1 1070 . 1 1 87 87 GLU C C 13 178.081 0.000 . 1 . . . . 87 GLU C . 15086 1 1071 . 1 1 87 87 GLU CA C 13 57.346 0.000 . 1 . . . . 87 GLU CA . 15086 1 1072 . 1 1 87 87 GLU CB C 13 30.751 0.000 . 1 . . . . 87 GLU CB . 15086 1 1073 . 1 1 87 87 GLU CG C 13 36.501 0.000 . 1 . . . . 87 GLU CG . 15086 1 1074 . 1 1 87 87 GLU N N 15 120.836 0.000 . 1 . . . . 87 GLU N . 15086 1 1075 . 1 1 88 88 SER H H 1 8.388 0.000 . 1 . . . . 88 SER H . 15086 1 1076 . 1 1 88 88 SER HA H 1 4.441 0.005 . 1 . . . . 88 SER HA . 15086 1 1077 . 1 1 88 88 SER HB2 H 1 3.923 0.001 . 2 . . . . 88 SER HB2 . 15086 1 1078 . 1 1 88 88 SER HB3 H 1 3.864 0.005 . 2 . . . . 88 SER HB3 . 15086 1 1079 . 1 1 88 88 SER C C 13 175.858 0.000 . 1 . . . . 88 SER C . 15086 1 1080 . 1 1 88 88 SER CA C 13 59.211 0.000 . 1 . . . . 88 SER CA . 15086 1 1081 . 1 1 88 88 SER CB C 13 64.532 0.014 . 1 . . . . 88 SER CB . 15086 1 1082 . 1 1 88 88 SER N N 15 116.968 0.000 . 1 . . . . 88 SER N . 15086 1 1083 . 1 1 89 89 CYS H H 1 8.429 0.000 . 1 . . . . 89 CYS H . 15086 1 1084 . 1 1 89 89 CYS HA H 1 4.495 0.000 . 1 . . . . 89 CYS HA . 15086 1 1085 . 1 1 89 89 CYS HB2 H 1 2.952 0.000 . 2 . . . . 89 CYS HB2 . 15086 1 1086 . 1 1 89 89 CYS HB3 H 1 2.954 0.000 . 2 . . . . 89 CYS HB3 . 15086 1 1087 . 1 1 89 89 CYS C C 13 175.775 0.000 . 1 . . . . 89 CYS C . 15086 1 1088 . 1 1 89 89 CYS CA C 13 59.514 0.000 . 1 . . . . 89 CYS CA . 15086 1 1089 . 1 1 89 89 CYS CB C 13 28.372 0.000 . 1 . . . . 89 CYS CB . 15086 1 1090 . 1 1 89 89 CYS N N 15 121.815 0.000 . 1 . . . . 89 CYS N . 15086 1 1091 . 1 1 90 90 LEU H H 1 8.189 0.000 . 1 . . . . 90 LEU H . 15086 1 1092 . 1 1 90 90 LEU HA H 1 4.248 0.000 . 1 . . . . 90 LEU HA . 15086 1 1093 . 1 1 90 90 LEU HB2 H 1 1.517 0.000 . 2 . . . . 90 LEU HB2 . 15086 1 1094 . 1 1 90 90 LEU HB3 H 1 1.609 0.000 . 2 . . . . 90 LEU HB3 . 15086 1 1095 . 1 1 90 90 LEU HG H 1 1.678 0.000 . 1 . . . . 90 LEU HG . 15086 1 1096 . 1 1 90 90 LEU HD11 H 1 0.823 0.000 . 2 . . . . 90 LEU QD1 . 15086 1 1097 . 1 1 90 90 LEU HD12 H 1 0.823 0.000 . 2 . . . . 90 LEU QD1 . 15086 1 1098 . 1 1 90 90 LEU HD13 H 1 0.823 0.000 . 2 . . . . 90 LEU QD1 . 15086 1 1099 . 1 1 90 90 LEU HD21 H 1 0.888 0.000 . 2 . . . . 90 LEU QD2 . 15086 1 1100 . 1 1 90 90 LEU HD22 H 1 0.888 0.000 . 2 . . . . 90 LEU QD2 . 15086 1 1101 . 1 1 90 90 LEU HD23 H 1 0.888 0.000 . 2 . . . . 90 LEU QD2 . 15086 1 1102 . 1 1 90 90 LEU C C 13 180.000 0.000 . 1 . . . . 90 LEU C . 15086 1 1103 . 1 1 90 90 LEU CA C 13 56.145 0.000 . 1 . . . . 90 LEU CA . 15086 1 1104 . 1 1 90 90 LEU CB C 13 42.888 0.000 . 1 . . . . 90 LEU CB . 15086 1 1105 . 1 1 90 90 LEU CG C 13 27.520 0.000 . 1 . . . . 90 LEU CG . 15086 1 1106 . 1 1 90 90 LEU CD1 C 13 24.383 0.000 . 1 . . . . 90 LEU CD1 . 15086 1 1107 . 1 1 90 90 LEU CD2 C 13 25.683 0.000 . 1 . . . . 90 LEU CD2 . 15086 1 1108 . 1 1 90 90 LEU N N 15 124.392 0.000 . 1 . . . . 90 LEU N . 15086 1 1109 . 1 1 91 91 GLU H H 1 8.103 0.000 . 1 . . . . 91 GLU H . 15086 1 1110 . 1 1 91 91 GLU HA H 1 4.154 0.000 . 1 . . . . 91 GLU HA . 15086 1 1111 . 1 1 91 91 GLU HB2 H 1 1.877 0.000 . 1 . . . . 91 GLU HB2 . 15086 1 1112 . 1 1 91 91 GLU HB3 H 1 1.877 0.000 . 1 . . . . 91 GLU HB3 . 15086 1 1113 . 1 1 91 91 GLU HG2 H 1 1.431 0.000 . 2 . . . . 91 GLU HG2 . 15086 1 1114 . 1 1 91 91 GLU HG3 H 1 1.426 0.000 . 2 . . . . 91 GLU HG3 . 15086 1 1115 . 1 1 91 91 GLU C C 13 178.943 0.000 . 1 . . . . 91 GLU C . 15086 1 1116 . 1 1 91 91 GLU CA C 13 58.427 0.000 . 1 . . . . 91 GLU CA . 15086 1 1117 . 1 1 91 91 GLU CB C 13 34.074 0.000 . 1 . . . . 91 GLU CB . 15086 1 1118 . 1 1 91 91 GLU CG C 13 36.010 0.000 . 1 . . . . 91 GLU CG . 15086 1 1119 . 1 1 91 91 GLU N N 15 121.267 0.000 . 1 . . . . 91 GLU N . 15086 1 1120 . 1 1 92 92 HIS H H 1 8.054 0.000 . 1 . . . . 92 HIS H . 15086 1 1121 . 1 1 92 92 HIS HA H 1 4.206 0.000 . 1 . . . . 92 HIS HA . 15086 1 1122 . 1 1 92 92 HIS HB2 H 1 1.865 0.000 . 2 . . . . 92 HIS HB2 . 15086 1 1123 . 1 1 92 92 HIS HB3 H 1 1.863 0.000 . 2 . . . . 92 HIS HB3 . 15086 1 1124 . 1 1 92 92 HIS HD2 H 1 7.080 0.000 . 1 . . . . 92 HIS HD2 . 15086 1 1125 . 1 1 92 92 HIS HE1 H 1 8.080 0.000 . 1 . . . . 92 HIS HE1 . 15086 1 1126 . 1 1 92 92 HIS C C 13 178.595 0.000 . 1 . . . . 92 HIS C . 15086 1 1127 . 1 1 92 92 HIS CA C 13 58.353 0.000 . 1 . . . . 92 HIS CA . 15086 1 1128 . 1 1 92 92 HIS CB C 13 33.340 0.000 . 1 . . . . 92 HIS CB . 15086 1 1129 . 1 1 92 92 HIS CD2 C 13 119.840 0.000 . 1 . . . . 92 HIS CD2 . 15086 1 1130 . 1 1 92 92 HIS CE1 C 13 136.050 0.000 . 1 . . . . 92 HIS CE1 . 15086 1 1131 . 1 1 92 92 HIS N N 15 122.323 0.000 . 1 . . . . 92 HIS N . 15086 1 1132 . 1 1 93 93 HIS H H 1 8.363 0.000 . 1 . . . . 93 HIS H . 15086 1 1133 . 1 1 93 93 HIS HA H 1 4.780 0.000 . 1 . . . . 93 HIS HA . 15086 1 1134 . 1 1 93 93 HIS HB2 H 1 2.365 0.000 . 2 . . . . 93 HIS HB2 . 15086 1 1135 . 1 1 93 93 HIS HB3 H 1 2.053 0.000 . 2 . . . . 93 HIS HB3 . 15086 1 1136 . 1 1 93 93 HIS HD2 H 1 7.080 0.000 . 1 . . . . 93 HIS HD2 . 15086 1 1137 . 1 1 93 93 HIS HE1 H 1 8.080 0.000 . 1 . . . . 93 HIS HE1 . 15086 1 1138 . 1 1 93 93 HIS C C 13 175.260 0.000 . 1 . . . . 93 HIS C . 15086 1 1139 . 1 1 93 93 HIS CA C 13 58.204 0.000 . 1 . . . . 93 HIS CA . 15086 1 1140 . 1 1 93 93 HIS CB C 13 30.372 0.000 . 1 . . . . 93 HIS CB . 15086 1 1141 . 1 1 93 93 HIS CD2 C 13 119.840 0.000 . 1 . . . . 93 HIS CD2 . 15086 1 1142 . 1 1 93 93 HIS CE1 C 13 136.050 0.000 . 1 . . . . 93 HIS CE1 . 15086 1 1143 . 1 1 93 93 HIS N N 15 121.302 0.000 . 1 . . . . 93 HIS N . 15086 1 1144 . 1 1 94 94 HIS H H 1 8.602 0.000 . 1 . . . . 94 HIS H . 15086 1 1145 . 1 1 94 94 HIS HA H 1 4.652 0.000 . 1 . . . . 94 HIS HA . 15086 1 1146 . 1 1 94 94 HIS HB2 H 1 3.210 0.000 . 2 . . . . 94 HIS HB2 . 15086 1 1147 . 1 1 94 94 HIS HB3 H 1 3.092 0.000 . 2 . . . . 94 HIS HB3 . 15086 1 1148 . 1 1 94 94 HIS HD2 H 1 7.080 0.000 . 1 . . . . 94 HIS HD2 . 15086 1 1149 . 1 1 94 94 HIS HE1 H 1 8.080 0.000 . 1 . . . . 94 HIS HE1 . 15086 1 1150 . 1 1 94 94 HIS C C 13 175.247 0.000 . 1 . . . . 94 HIS C . 15086 1 1151 . 1 1 94 94 HIS CA C 13 56.099 0.000 . 1 . . . . 94 HIS CA . 15086 1 1152 . 1 1 94 94 HIS CB C 13 29.808 0.000 . 1 . . . . 94 HIS CB . 15086 1 1153 . 1 1 94 94 HIS CD2 C 13 119.840 0.000 . 1 . . . . 94 HIS CD2 . 15086 1 1154 . 1 1 94 94 HIS CE1 C 13 136.050 0.000 . 1 . . . . 94 HIS CE1 . 15086 1 1155 . 1 1 94 94 HIS N N 15 120.181 0.000 . 1 . . . . 94 HIS N . 15086 1 1156 . 1 1 95 95 HIS H H 1 8.657 0.000 . 1 . . . . 95 HIS H . 15086 1 1157 . 1 1 95 95 HIS HA H 1 4.770 0.000 . 1 . . . . 95 HIS HA . 15086 1 1158 . 1 1 95 95 HIS HB2 H 1 3.119 0.000 . 1 . . . . 95 HIS HB2 . 15086 1 1159 . 1 1 95 95 HIS HB3 H 1 3.119 0.000 . 1 . . . . 95 HIS HB3 . 15086 1 1160 . 1 1 95 95 HIS HD2 H 1 7.080 0.000 . 1 . . . . 95 HIS HD2 . 15086 1 1161 . 1 1 95 95 HIS HE1 H 1 8.080 0.000 . 1 . . . . 95 HIS HE1 . 15086 1 1162 . 1 1 95 95 HIS C C 13 175.052 0.000 . 1 . . . . 95 HIS C . 15086 1 1163 . 1 1 95 95 HIS CA C 13 56.064 0.000 . 1 . . . . 95 HIS CA . 15086 1 1164 . 1 1 95 95 HIS CB C 13 30.106 0.000 . 1 . . . . 95 HIS CB . 15086 1 1165 . 1 1 95 95 HIS CD2 C 13 119.840 0.000 . 1 . . . . 95 HIS CD2 . 15086 1 1166 . 1 1 95 95 HIS CE1 C 13 136.050 0.000 . 1 . . . . 95 HIS CE1 . 15086 1 1167 . 1 1 95 95 HIS N N 15 120.961 0.000 . 1 . . . . 95 HIS N . 15086 1 1168 . 1 1 96 96 HIS H H 1 8.570 0.000 . 1 . . . . 96 HIS H . 15086 1 1169 . 1 1 96 96 HIS HA H 1 4.662 0.000 . 1 . . . . 96 HIS HA . 15086 1 1170 . 1 1 96 96 HIS HB2 H 1 3.187 0.000 . 2 . . . . 96 HIS HB2 . 15086 1 1171 . 1 1 96 96 HIS HB3 H 1 3.173 0.000 . 2 . . . . 96 HIS HB3 . 15086 1 1172 . 1 1 96 96 HIS HD2 H 1 7.080 0.000 . 1 . . . . 96 HIS HD2 . 15086 1 1173 . 1 1 96 96 HIS HE1 H 1 8.080 0.000 . 1 . . . . 96 HIS HE1 . 15086 1 1174 . 1 1 96 96 HIS C C 13 174.594 0.000 . 1 . . . . 96 HIS C . 15086 1 1175 . 1 1 96 96 HIS CA C 13 56.250 0.000 . 1 . . . . 96 HIS CA . 15086 1 1176 . 1 1 96 96 HIS CB C 13 30.229 0.000 . 1 . . . . 96 HIS CB . 15086 1 1177 . 1 1 96 96 HIS CD2 C 13 119.840 0.000 . 1 . . . . 96 HIS CD2 . 15086 1 1178 . 1 1 96 96 HIS CE1 C 13 136.050 0.000 . 1 . . . . 96 HIS CE1 . 15086 1 1179 . 1 1 96 96 HIS N N 15 121.179 0.000 . 1 . . . . 96 HIS N . 15086 1 1180 . 1 1 97 97 HIS H H 1 8.391 0.000 . 1 . . . . 97 HIS H . 15086 1 1181 . 1 1 97 97 HIS HA H 1 4.767 0.000 . 1 . . . . 97 HIS HA . 15086 1 1182 . 1 1 97 97 HIS HB2 H 1 3.120 0.000 . 2 . . . . 97 HIS HB2 . 15086 1 1183 . 1 1 97 97 HIS HB3 H 1 3.110 0.000 . 2 . . . . 97 HIS HB3 . 15086 1 1184 . 1 1 97 97 HIS HD2 H 1 7.080 0.000 . 1 . . . . 97 HIS HD2 . 15086 1 1185 . 1 1 97 97 HIS HE1 H 1 8.080 0.000 . 1 . . . . 97 HIS HE1 . 15086 1 1186 . 1 1 97 97 HIS CA C 13 57.866 0.000 . 1 . . . . 97 HIS CA . 15086 1 1187 . 1 1 97 97 HIS CB C 13 30.396 0.000 . 1 . . . . 97 HIS CB . 15086 1 1188 . 1 1 97 97 HIS CD2 C 13 119.840 0.000 . 1 . . . . 97 HIS CD2 . 15086 1 1189 . 1 1 97 97 HIS CE1 C 13 136.050 0.000 . 1 . . . . 97 HIS CE1 . 15086 1 1190 . 1 1 97 97 HIS N N 15 126.265 0.000 . 1 . . . . 97 HIS N . 15086 1 stop_ save_