data_15645 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15645 _Entry.Title ; NMR STRUCTURE OF A MUTANT COLICIN E7 IMMUNITY PROTEIN IM7 WITH AN EXTENDED HELIX III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-01 _Entry.Accession_date 2008-02-01 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Angelo Figueiredo . MMP. . 15645 2 Sara Whittaker . B. . 15645 3 Chris Spronk . A. . 15645 4 Stuart Knowling . MMP. . 15645 5 Sheena Radford . E. . 15645 6 Geoffrey Moore . R. . 15645 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 . 'not applicable' 'not applicable' . 15645 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 15645 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15645 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 15645 '15N chemical shifts' 95 15645 '1H chemical shifts' 641 15645 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-14 2008-02-01 original author . 15645 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K0D 'BMRB Entry Tracking System' 15645 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15645 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19651139 _Citation.Full_citation . _Citation.Title 'Amino acid insertion reveals a necessary three-helical intermediate in the folding pathway of the colicin E7 immunity protein Im7.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 392 _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 1074 _Citation.Page_last 1086 _Citation.Year 2009 _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 Stuart Knowling . E. . 15645 1 2 'Angelo Miguel' Figueiredo . . . 15645 1 3 'Sara B-M' Whittaker . . . 15645 1 4 Geoffrey Moore . R. . 15645 1 5 Sheena Radford . E. . 15645 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15645 _Assembly.ID 1 _Assembly.Name 'Im7 mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Im7_mutant 1 $Im7_mutant A . yes native no no . . . 15645 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Im7_mutant _Entity.Sf_category entity _Entity.Sf_framecode Im7_mutant _Entity.Entry_ID 15645 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Im7_mutant _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEHHHHHHELKNSISDYTEA EFVQLLKEIEKENVAATDDV LDVLLEHFVKITEHPDGTAL IYEAAARAAANPGGDGGGPE GIVKEIKEWRAANGKPGFKQ G ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10009.231 _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 BMRB 15666 . Im7_mutant . . . . . 100.00 101 100.00 100.00 1.82e-65 . . . . 15645 1 2 no PDB 2K0D . "Nmr Structure Of A Mutant Colicin E7 Immunity Protein Im7 With An Extended Helix Iii" . . . . . 100.00 101 100.00 100.00 1.82e-65 . . . . 15645 1 3 no GB EYB47026 . "colicin immunity protein, partial [Escherichia coli]" . . . . . 51.49 53 98.08 98.08 1.72e-25 . . . . 15645 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 -6 MET . 15645 1 2 -5 GLU . 15645 1 3 -4 HIS . 15645 1 4 -3 HIS . 15645 1 5 -2 HIS . 15645 1 6 -1 HIS . 15645 1 7 0 HIS . 15645 1 8 1 HIS . 15645 1 9 2 GLU . 15645 1 10 3 LEU . 15645 1 11 4 LYS . 15645 1 12 5 ASN . 15645 1 13 6 SER . 15645 1 14 7 ILE . 15645 1 15 8 SER . 15645 1 16 9 ASP . 15645 1 17 10 TYR . 15645 1 18 11 THR . 15645 1 19 12 GLU . 15645 1 20 13 ALA . 15645 1 21 14 GLU . 15645 1 22 15 PHE . 15645 1 23 16 VAL . 15645 1 24 17 GLN . 15645 1 25 18 LEU . 15645 1 26 19 LEU . 15645 1 27 20 LYS . 15645 1 28 21 GLU . 15645 1 29 22 ILE . 15645 1 30 23 GLU . 15645 1 31 24 LYS . 15645 1 32 25 GLU . 15645 1 33 26 ASN . 15645 1 34 27 VAL . 15645 1 35 28 ALA . 15645 1 36 29 ALA . 15645 1 37 30 THR . 15645 1 38 31 ASP . 15645 1 39 32 ASP . 15645 1 40 33 VAL . 15645 1 41 34 LEU . 15645 1 42 35 ASP . 15645 1 43 36 VAL . 15645 1 44 37 LEU . 15645 1 45 38 LEU . 15645 1 46 39 GLU . 15645 1 47 40 HIS . 15645 1 48 41 PHE . 15645 1 49 42 VAL . 15645 1 50 43 LYS . 15645 1 51 44 ILE . 15645 1 52 45 THR . 15645 1 53 46 GLU . 15645 1 54 47 HIS . 15645 1 55 48 PRO . 15645 1 56 49 ASP . 15645 1 57 50 GLY . 15645 1 58 51 THR . 15645 1 59 52 ALA . 15645 1 60 53 LEU . 15645 1 61 54 ILE . 15645 1 62 55 TYR . 15645 1 63 56 GLU . 15645 1 64 57 ALA . 15645 1 65 58 ALA . 15645 1 66 59 ALA . 15645 1 67 60 ARG . 15645 1 68 61 ALA . 15645 1 69 62 ALA . 15645 1 70 63 ALA . 15645 1 71 64 ASN . 15645 1 72 65 PRO . 15645 1 73 66 GLY . 15645 1 74 67 GLY . 15645 1 75 68 ASP . 15645 1 76 69 GLY . 15645 1 77 70 GLY . 15645 1 78 71 GLY . 15645 1 79 72 PRO . 15645 1 80 73 GLU . 15645 1 81 74 GLY . 15645 1 82 75 ILE . 15645 1 83 76 VAL . 15645 1 84 77 LYS . 15645 1 85 78 GLU . 15645 1 86 79 ILE . 15645 1 87 80 LYS . 15645 1 88 81 GLU . 15645 1 89 82 TRP . 15645 1 90 83 ARG . 15645 1 91 84 ALA . 15645 1 92 85 ALA . 15645 1 93 86 ASN . 15645 1 94 87 GLY . 15645 1 95 88 LYS . 15645 1 96 89 PRO . 15645 1 97 90 GLY . 15645 1 98 91 PHE . 15645 1 99 92 LYS . 15645 1 100 93 GLN . 15645 1 101 94 GLY . 15645 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 15645 1 . GLU 2 2 15645 1 . HIS 3 3 15645 1 . HIS 4 4 15645 1 . HIS 5 5 15645 1 . HIS 6 6 15645 1 . HIS 7 7 15645 1 . HIS 8 8 15645 1 . GLU 9 9 15645 1 . LEU 10 10 15645 1 . LYS 11 11 15645 1 . ASN 12 12 15645 1 . SER 13 13 15645 1 . ILE 14 14 15645 1 . SER 15 15 15645 1 . ASP 16 16 15645 1 . TYR 17 17 15645 1 . THR 18 18 15645 1 . GLU 19 19 15645 1 . ALA 20 20 15645 1 . GLU 21 21 15645 1 . PHE 22 22 15645 1 . VAL 23 23 15645 1 . GLN 24 24 15645 1 . LEU 25 25 15645 1 . LEU 26 26 15645 1 . LYS 27 27 15645 1 . GLU 28 28 15645 1 . ILE 29 29 15645 1 . GLU 30 30 15645 1 . LYS 31 31 15645 1 . GLU 32 32 15645 1 . ASN 33 33 15645 1 . VAL 34 34 15645 1 . ALA 35 35 15645 1 . ALA 36 36 15645 1 . THR 37 37 15645 1 . ASP 38 38 15645 1 . ASP 39 39 15645 1 . VAL 40 40 15645 1 . LEU 41 41 15645 1 . ASP 42 42 15645 1 . VAL 43 43 15645 1 . LEU 44 44 15645 1 . LEU 45 45 15645 1 . GLU 46 46 15645 1 . HIS 47 47 15645 1 . PHE 48 48 15645 1 . VAL 49 49 15645 1 . LYS 50 50 15645 1 . ILE 51 51 15645 1 . THR 52 52 15645 1 . GLU 53 53 15645 1 . HIS 54 54 15645 1 . PRO 55 55 15645 1 . ASP 56 56 15645 1 . GLY 57 57 15645 1 . THR 58 58 15645 1 . ALA 59 59 15645 1 . LEU 60 60 15645 1 . ILE 61 61 15645 1 . TYR 62 62 15645 1 . GLU 63 63 15645 1 . ALA 64 64 15645 1 . ALA 65 65 15645 1 . ALA 66 66 15645 1 . ARG 67 67 15645 1 . ALA 68 68 15645 1 . ALA 69 69 15645 1 . ALA 70 70 15645 1 . ASN 71 71 15645 1 . PRO 72 72 15645 1 . GLY 73 73 15645 1 . GLY 74 74 15645 1 . ASP 75 75 15645 1 . GLY 76 76 15645 1 . GLY 77 77 15645 1 . GLY 78 78 15645 1 . PRO 79 79 15645 1 . GLU 80 80 15645 1 . GLY 81 81 15645 1 . ILE 82 82 15645 1 . VAL 83 83 15645 1 . LYS 84 84 15645 1 . GLU 85 85 15645 1 . ILE 86 86 15645 1 . LYS 87 87 15645 1 . GLU 88 88 15645 1 . TRP 89 89 15645 1 . ARG 90 90 15645 1 . ALA 91 91 15645 1 . ALA 92 92 15645 1 . ASN 93 93 15645 1 . GLY 94 94 15645 1 . LYS 95 95 15645 1 . PRO 96 96 15645 1 . GLY 97 97 15645 1 . PHE 98 98 15645 1 . LYS 99 99 15645 1 . GLN 100 100 15645 1 . GLY 101 101 15645 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 15645 _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 $Im7_mutant . 562 plasmid . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli JM109 . . . . . . . . . . . . . . . . . . . . 15645 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 15645 _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 $Im7_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli JM109 . . . . . . . . . . . . . . . pTrc99A . . . . . . 15645 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15645 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' '[U-99% 13C; U-99% 15N]' . . 1 $Im7_mutant . . 1 . . mM 0.2 . . . 15645 1 2 'Phosphate buffer' . . . . . . . 50 . . mM . . . . 15645 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15645 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' '[U-99% 15N]' . . 1 $Im7_mutant . . 1 . . mM 0.2 . . . 15645 2 2 'Phosphate buffer' . . . . . . . 50 . . mM . . . . 15645 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15645 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' '[U-99% 13C; U-99% 15N]' . . 1 $Im7_mutant . . 1 . . mM 0.2 . . . 15645 3 2 'Phosphate buffer' . . . . . . . 50 . . mM . . . . 15645 3 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 15645 _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' 50 . mM 15645 1 pH* 7 . pH 15645 1 pressure 1 . atm 15645 1 temperature 298 . K 15645 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15645 _Software.ID 1 _Software.Name NMRView _Software.Version 5.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15645 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15645 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15645 _Software.ID 2 _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' . . 15645 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15645 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15645 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15645 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15645 3 'structure solution' 15645 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15645 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15645 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15645 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15645 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15645 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15645 5 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 15645 _Software.ID 6 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 15645 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15645 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15645 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15645 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15645 7 stop_ save_ save_AtnosCandid _Software.Sf_category software _Software.Sf_framecode AtnosCandid _Software.Entry_ID 15645 _Software.ID 8 _Software.Name ATHNOS-CANDID _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 15645 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15645 8 'peak picking' 15645 8 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 15645 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15645 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15645 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15645 _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 . 900 . . . 15645 1 2 spectrometer_2 Varian INOVA . 600 . . . 15645 1 3 spectrometer_3 Varian INOVA . 500 . . . 15645 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 15645 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15645 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15645 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15645 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15645 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15645 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15645 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15645 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15645 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15645 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 15645 _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 . . . . . . . . . 15645 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15645 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15645 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 15645 _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 '3D HNCACB' . . . 15645 1 2 '3D CBCA(CO)NH' . . . 15645 1 3 '3D HNCO' . . . 15645 1 7 '3D HCCH-TOCSY' . . . 15645 1 8 '3D H(CCO)NH' . . . 15645 1 9 '3D C(CO)NH' . . . 15645 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 9 9 GLU H H 1 8.343 0.002 . 1 . . . . 2 GLU HN . 15645 1 2 . 1 1 9 9 GLU HA H 1 4.152 0.002 . 1 . . . . 2 GLU HA . 15645 1 3 . 1 1 9 9 GLU HB2 H 1 1.932 0.002 . 2 . . . . 2 GLU HB2 . 15645 1 4 . 1 1 9 9 GLU HB3 H 1 1.873 0.002 . 2 . . . . 2 GLU HB3 . 15645 1 5 . 1 1 9 9 GLU HG2 H 1 2.112 0.002 . 2 . . . . 2 GLU HG2 . 15645 1 6 . 1 1 9 9 GLU HG3 H 1 2.087 0.002 . 2 . . . . 2 GLU HG3 . 15645 1 7 . 1 1 9 9 GLU C C 13 175.919 0.002 . 1 . . . . 2 GLU C . 15645 1 8 . 1 1 9 9 GLU CA C 13 56.605 0.002 . 1 . . . . 2 GLU CA . 15645 1 9 . 1 1 9 9 GLU CB C 13 29.994 0.002 . 1 . . . . 2 GLU CB . 15645 1 10 . 1 1 9 9 GLU CG C 13 36.341 0.002 . 1 . . . . 2 GLU CG . 15645 1 11 . 1 1 9 9 GLU N N 15 122.165 0.002 . 1 . . . . 2 GLU N . 15645 1 12 . 1 1 10 10 LEU H H 1 8.121 0.002 . 1 . . . . 3 LEU HN . 15645 1 13 . 1 1 10 10 LEU HA H 1 4.240 0.002 . 1 . . . . 3 LEU HA . 15645 1 14 . 1 1 10 10 LEU HB2 H 1 1.535 0.002 . 2 . . . . 3 LEU HB2 . 15645 1 15 . 1 1 10 10 LEU HB3 H 1 0.790 0.002 . 2 . . . . 3 LEU HB3 . 15645 1 16 . 1 1 10 10 LEU HD11 H 1 0.586 0.002 . 2 . . . . 3 LEU QD1 . 15645 1 17 . 1 1 10 10 LEU HD12 H 1 0.586 0.002 . 2 . . . . 3 LEU QD1 . 15645 1 18 . 1 1 10 10 LEU HD13 H 1 0.586 0.002 . 2 . . . . 3 LEU QD1 . 15645 1 19 . 1 1 10 10 LEU HD21 H 1 0.509 0.002 . 2 . . . . 3 LEU QD2 . 15645 1 20 . 1 1 10 10 LEU HD22 H 1 0.509 0.002 . 2 . . . . 3 LEU QD2 . 15645 1 21 . 1 1 10 10 LEU HD23 H 1 0.509 0.002 . 2 . . . . 3 LEU QD2 . 15645 1 22 . 1 1 10 10 LEU HG H 1 1.439 0.002 . 1 . . . . 3 LEU HG . 15645 1 23 . 1 1 10 10 LEU C C 13 176.909 0.002 . 1 . . . . 3 LEU C . 15645 1 24 . 1 1 10 10 LEU CA C 13 54.748 0.002 . 1 . . . . 3 LEU CA . 15645 1 25 . 1 1 10 10 LEU CB C 13 41.272 0.002 . 1 . . . . 3 LEU CB . 15645 1 26 . 1 1 10 10 LEU CD1 C 13 25.108 0.002 . 2 . . . . 3 LEU CD1 . 15645 1 27 . 1 1 10 10 LEU CD2 C 13 22.491 0.002 . 2 . . . . 3 LEU CD2 . 15645 1 28 . 1 1 10 10 LEU CG C 13 26.199 0.002 . 1 . . . . 3 LEU CG . 15645 1 29 . 1 1 10 10 LEU N N 15 123.688 0.002 . 1 . . . . 3 LEU N . 15645 1 30 . 1 1 11 11 LYS H H 1 7.677 0.002 . 1 . . . . 4 LYS HN . 15645 1 31 . 1 1 11 11 LYS HA H 1 4.404 0.002 . 1 . . . . 4 LYS HA . 15645 1 32 . 1 1 11 11 LYS HB2 H 1 1.779 0.002 . 2 . . . . 4 LYS HB2 . 15645 1 33 . 1 1 11 11 LYS HB3 H 1 1.525 0.002 . 2 . . . . 4 LYS HB3 . 15645 1 34 . 1 1 11 11 LYS HD2 H 1 1.102 0.002 . 2 . . . . 4 LYS HD2 . 15645 1 35 . 1 1 11 11 LYS HD3 H 1 0.710 0.002 . 2 . . . . 4 LYS HD3 . 15645 1 36 . 1 1 11 11 LYS HE2 H 1 2.619 0.002 . 2 . . . . 4 LYS HE2 . 15645 1 37 . 1 1 11 11 LYS HE3 H 1 2.537 0.002 . 2 . . . . 4 LYS HE3 . 15645 1 38 . 1 1 11 11 LYS HG2 H 1 1.157 0.002 . 2 . . . . 4 LYS QG . 15645 1 39 . 1 1 11 11 LYS HG3 H 1 1.157 0.002 . 2 . . . . 4 LYS QG . 15645 1 40 . 1 1 11 11 LYS C C 13 176.184 0.002 . 1 . . . . 4 LYS C . 15645 1 41 . 1 1 11 11 LYS CA C 13 55.828 0.002 . 1 . . . . 4 LYS CA . 15645 1 42 . 1 1 11 11 LYS CB C 13 33.482 0.002 . 1 . . . . 4 LYS CB . 15645 1 43 . 1 1 11 11 LYS CD C 13 29.230 0.002 . 1 . . . . 4 LYS CD . 15645 1 44 . 1 1 11 11 LYS CE C 13 42.080 0.002 . 1 . . . . 4 LYS CE . 15645 1 45 . 1 1 11 11 LYS CG C 13 24.788 0.002 . 1 . . . . 4 LYS CG . 15645 1 46 . 1 1 11 11 LYS N N 15 122.221 0.002 . 1 . . . . 4 LYS N . 15645 1 47 . 1 1 12 12 ASN H H 1 8.538 0.002 . 1 . . . . 5 ASN HN . 15645 1 48 . 1 1 12 12 ASN HA H 1 4.685 0.002 . 1 . . . . 5 ASN HA . 15645 1 49 . 1 1 12 12 ASN HB2 H 1 2.839 0.002 . 2 . . . . 5 ASN QB . 15645 1 50 . 1 1 12 12 ASN HB3 H 1 2.839 0.002 . 2 . . . . 5 ASN QB . 15645 1 51 . 1 1 12 12 ASN HD21 H 1 7.723 0.002 . 2 . . . . 5 ASN HD21 . 15645 1 52 . 1 1 12 12 ASN HD22 H 1 6.913 0.002 . 2 . . . . 5 ASN HD22 . 15645 1 53 . 1 1 12 12 ASN C C 13 174.925 0.002 . 1 . . . . 5 ASN C . 15645 1 54 . 1 1 12 12 ASN CA C 13 55.721 0.002 . 1 . . . . 5 ASN CA . 15645 1 55 . 1 1 12 12 ASN CB C 13 40.409 0.002 . 1 . . . . 5 ASN CB . 15645 1 56 . 1 1 12 12 ASN CG C 13 176.819 0.002 . 1 . . . . 5 ASN CG . 15645 1 57 . 1 1 12 12 ASN N N 15 116.610 0.002 . 1 . . . . 5 ASN N . 15645 1 58 . 1 1 12 12 ASN ND2 N 15 113.670 0.002 . 1 . . . . 5 ASN ND2 . 15645 1 59 . 1 1 13 13 SER H H 1 8.144 0.002 . 1 . . . . 6 SER HN . 15645 1 60 . 1 1 13 13 SER HA H 1 4.819 0.002 . 1 . . . . 6 SER HA . 15645 1 61 . 1 1 13 13 SER HB2 H 1 3.909 0.002 . 2 . . . . 6 SER HB2 . 15645 1 62 . 1 1 13 13 SER HB3 H 1 3.708 0.002 . 2 . . . . 6 SER HB3 . 15645 1 63 . 1 1 13 13 SER C C 13 175.123 0.002 . 1 . . . . 6 SER C . 15645 1 64 . 1 1 13 13 SER CA C 13 56.778 0.002 . 1 . . . . 6 SER CA . 15645 1 65 . 1 1 13 13 SER CB C 13 65.949 0.002 . 1 . . . . 6 SER CB . 15645 1 66 . 1 1 13 13 SER N N 15 112.138 0.002 . 1 . . . . 6 SER N . 15645 1 67 . 1 1 14 14 ILE H H 1 9.318 0.002 . 1 . . . . 7 ILE HN . 15645 1 68 . 1 1 14 14 ILE HA H 1 3.966 0.002 . 1 . . . . 7 ILE HA . 15645 1 69 . 1 1 14 14 ILE HB H 1 1.545 0.002 . 1 . . . . 7 ILE HB . 15645 1 70 . 1 1 14 14 ILE HD11 H 1 -0.052 0.002 . 1 . . . . 7 ILE QD1 . 15645 1 71 . 1 1 14 14 ILE HD12 H 1 -0.052 0.002 . 1 . . . . 7 ILE QD1 . 15645 1 72 . 1 1 14 14 ILE HD13 H 1 -0.052 0.002 . 1 . . . . 7 ILE QD1 . 15645 1 73 . 1 1 14 14 ILE HG12 H 1 0.798 0.002 . 2 . . . . 7 ILE HG12 . 15645 1 74 . 1 1 14 14 ILE HG13 H 1 0.688 0.002 . 2 . . . . 7 ILE HG13 . 15645 1 75 . 1 1 14 14 ILE HG21 H 1 0.389 0.002 . 1 . . . . 7 ILE QG2 . 15645 1 76 . 1 1 14 14 ILE HG22 H 1 0.389 0.002 . 1 . . . . 7 ILE QG2 . 15645 1 77 . 1 1 14 14 ILE HG23 H 1 0.389 0.002 . 1 . . . . 7 ILE QG2 . 15645 1 78 . 1 1 14 14 ILE C C 13 175.537 0.002 . 1 . . . . 7 ILE C . 15645 1 79 . 1 1 14 14 ILE CA C 13 64.956 0.002 . 1 . . . . 7 ILE CA . 15645 1 80 . 1 1 14 14 ILE CB C 13 37.062 0.002 . 1 . . . . 7 ILE CB . 15645 1 81 . 1 1 14 14 ILE CD1 C 13 13.669 0.002 . 1 . . . . 7 ILE CD1 . 15645 1 82 . 1 1 14 14 ILE CG1 C 13 28.306 0.002 . 1 . . . . 7 ILE CG1 . 15645 1 83 . 1 1 14 14 ILE CG2 C 13 15.582 0.002 . 1 . . . . 7 ILE CG2 . 15645 1 84 . 1 1 14 14 ILE N N 15 126.034 0.002 . 1 . . . . 7 ILE N . 15645 1 85 . 1 1 15 15 SER H H 1 7.504 0.002 . 1 . . . . 8 SER HN . 15645 1 86 . 1 1 15 15 SER HA H 1 4.694 0.002 . 1 . . . . 8 SER HA . 15645 1 87 . 1 1 15 15 SER HB2 H 1 3.843 0.002 . 2 . . . . 8 SER QB . 15645 1 88 . 1 1 15 15 SER HB3 H 1 3.843 0.002 . 2 . . . . 8 SER QB . 15645 1 89 . 1 1 15 15 SER C C 13 174.278 0.002 . 1 . . . . 8 SER C . 15645 1 90 . 1 1 15 15 SER CA C 13 59.481 0.002 . 1 . . . . 8 SER CA . 15645 1 91 . 1 1 15 15 SER CB C 13 63.241 0.002 . 1 . . . . 8 SER CB . 15645 1 92 . 1 1 15 15 SER N N 15 112.517 0.002 . 1 . . . . 8 SER N . 15645 1 93 . 1 1 16 16 ASP H H 1 7.783 0.002 . 1 . . . . 9 ASP HN . 15645 1 94 . 1 1 16 16 ASP HA H 1 4.791 0.002 . 1 . . . . 9 ASP HA . 15645 1 95 . 1 1 16 16 ASP HB2 H 1 2.802 0.002 . 2 . . . . 9 ASP HB2 . 15645 1 96 . 1 1 16 16 ASP HB3 H 1 2.750 0.002 . 2 . . . . 9 ASP HB3 . 15645 1 97 . 1 1 16 16 ASP C C 13 175.976 0.002 . 1 . . . . 9 ASP C . 15645 1 98 . 1 1 16 16 ASP CA C 13 55.243 0.002 . 1 . . . . 9 ASP CA . 15645 1 99 . 1 1 16 16 ASP CB C 13 43.327 0.002 . 1 . . . . 9 ASP CB . 15645 1 100 . 1 1 16 16 ASP N N 15 117.795 0.002 . 1 . . . . 9 ASP N . 15645 1 101 . 1 1 17 17 TYR H H 1 8.279 0.002 . 1 . . . . 10 TYR HN . 15645 1 102 . 1 1 17 17 TYR HA H 1 4.962 0.002 . 1 . . . . 10 TYR HA . 15645 1 103 . 1 1 17 17 TYR HB2 H 1 3.518 0.002 . 2 . . . . 10 TYR QB . 15645 1 104 . 1 1 17 17 TYR HB3 H 1 3.518 0.002 . 2 . . . . 10 TYR QB . 15645 1 105 . 1 1 17 17 TYR HD1 H 1 7.372 0.002 . 3 . . . . 10 TYR QD . 15645 1 106 . 1 1 17 17 TYR HD2 H 1 7.372 0.002 . 3 . . . . 10 TYR QD . 15645 1 107 . 1 1 17 17 TYR HE1 H 1 6.925 0.002 . 3 . . . . 10 TYR QE . 15645 1 108 . 1 1 17 17 TYR HE2 H 1 6.925 0.002 . 3 . . . . 10 TYR QE . 15645 1 109 . 1 1 17 17 TYR C C 13 177.535 0.002 . 1 . . . . 10 TYR C . 15645 1 110 . 1 1 17 17 TYR CA C 13 58.573 0.002 . 1 . . . . 10 TYR CA . 15645 1 111 . 1 1 17 17 TYR CB C 13 41.015 0.002 . 1 . . . . 10 TYR CB . 15645 1 112 . 1 1 17 17 TYR CD1 C 13 132.455 0.002 . 3 . . . . 10 TYR CD1 . 15645 1 113 . 1 1 17 17 TYR CD2 C 13 132.455 0.002 . 3 . . . . 10 TYR CD2 . 15645 1 114 . 1 1 17 17 TYR CE1 C 13 118.549 0.002 . 3 . . . . 10 TYR CE1 . 15645 1 115 . 1 1 17 17 TYR CE2 C 13 118.549 0.002 . 3 . . . . 10 TYR CE2 . 15645 1 116 . 1 1 17 17 TYR N N 15 120.484 0.002 . 1 . . . . 10 TYR N . 15645 1 117 . 1 1 18 18 THR H H 1 8.796 0.002 . 1 . . . . 11 THR HN . 15645 1 118 . 1 1 18 18 THR HA H 1 5.040 0.002 . 1 . . . . 11 THR HA . 15645 1 119 . 1 1 18 18 THR HB H 1 4.685 0.002 . 1 . . . . 11 THR HB . 15645 1 120 . 1 1 18 18 THR HG21 H 1 1.216 0.002 . 1 . . . . 11 THR QG2 . 15645 1 121 . 1 1 18 18 THR HG22 H 1 1.216 0.002 . 1 . . . . 11 THR QG2 . 15645 1 122 . 1 1 18 18 THR HG23 H 1 1.216 0.002 . 1 . . . . 11 THR QG2 . 15645 1 123 . 1 1 18 18 THR C C 13 176.099 0.002 . 1 . . . . 11 THR C . 15645 1 124 . 1 1 18 18 THR CA C 13 60.775 0.002 . 1 . . . . 11 THR CA . 15645 1 125 . 1 1 18 18 THR CB C 13 71.041 0.002 . 1 . . . . 11 THR CB . 15645 1 126 . 1 1 18 18 THR CG2 C 13 21.910 0.002 . 1 . . . . 11 THR CG2 . 15645 1 127 . 1 1 18 18 THR N N 15 112.143 0.002 . 1 . . . . 11 THR N . 15645 1 128 . 1 1 19 19 GLU H H 1 9.173 0.002 . 1 . . . . 12 GLU HN . 15645 1 129 . 1 1 19 19 GLU HA H 1 2.757 0.002 . 1 . . . . 12 GLU HA . 15645 1 130 . 1 1 19 19 GLU HB2 H 1 1.780 0.002 . 2 . . . . 12 GLU QB . 15645 1 131 . 1 1 19 19 GLU HB3 H 1 1.780 0.002 . 2 . . . . 12 GLU QB . 15645 1 132 . 1 1 19 19 GLU HG2 H 1 1.932 0.002 . 2 . . . . 12 GLU HG2 . 15645 1 133 . 1 1 19 19 GLU HG3 H 1 1.594 0.002 . 2 . . . . 12 GLU HG3 . 15645 1 134 . 1 1 19 19 GLU C C 13 178.378 0.002 . 1 . . . . 12 GLU C . 15645 1 135 . 1 1 19 19 GLU CA C 13 60.906 0.002 . 1 . . . . 12 GLU CA . 15645 1 136 . 1 1 19 19 GLU CB C 13 29.442 0.002 . 1 . . . . 12 GLU CB . 15645 1 137 . 1 1 19 19 GLU CG C 13 37.058 0.002 . 1 . . . . 12 GLU CG . 15645 1 138 . 1 1 19 19 GLU N N 15 122.386 0.002 . 1 . . . . 12 GLU N . 15645 1 139 . 1 1 20 20 ALA H H 1 8.356 0.002 . 1 . . . . 13 ALA HN . 15645 1 140 . 1 1 20 20 ALA HA H 1 4.069 0.002 . 1 . . . . 13 ALA HA . 15645 1 141 . 1 1 20 20 ALA HB1 H 1 1.423 0.002 . 1 . . . . 13 ALA QB . 15645 1 142 . 1 1 20 20 ALA HB2 H 1 1.423 0.002 . 1 . . . . 13 ALA QB . 15645 1 143 . 1 1 20 20 ALA HB3 H 1 1.423 0.002 . 1 . . . . 13 ALA QB . 15645 1 144 . 1 1 20 20 ALA C C 13 181.816 0.002 . 1 . . . . 13 ALA C . 15645 1 145 . 1 1 20 20 ALA CA C 13 55.388 0.002 . 1 . . . . 13 ALA CA . 15645 1 146 . 1 1 20 20 ALA CB C 13 18.308 0.002 . 1 . . . . 13 ALA CB . 15645 1 147 . 1 1 20 20 ALA N N 15 118.695 0.002 . 1 . . . . 13 ALA N . 15645 1 148 . 1 1 21 21 GLU H H 1 8.013 0.002 . 1 . . . . 14 GLU HN . 15645 1 149 . 1 1 21 21 GLU HA H 1 4.131 0.002 . 1 . . . . 14 GLU HA . 15645 1 150 . 1 1 21 21 GLU HB2 H 1 2.714 0.002 . 2 . . . . 14 GLU HB2 . 15645 1 151 . 1 1 21 21 GLU HB3 H 1 2.301 0.002 . 2 . . . . 14 GLU HB3 . 15645 1 152 . 1 1 21 21 GLU HG2 H 1 2.509 0.002 . 2 . . . . 14 GLU HG2 . 15645 1 153 . 1 1 21 21 GLU HG3 H 1 2.367 0.002 . 2 . . . . 14 GLU HG3 . 15645 1 154 . 1 1 21 21 GLU C C 13 179.649 0.002 . 1 . . . . 14 GLU C . 15645 1 155 . 1 1 21 21 GLU CA C 13 58.916 0.002 . 1 . . . . 14 GLU CA . 15645 1 156 . 1 1 21 21 GLU CB C 13 31.632 0.002 . 1 . . . . 14 GLU CB . 15645 1 157 . 1 1 21 21 GLU CG C 13 37.577 0.002 . 1 . . . . 14 GLU CG . 15645 1 158 . 1 1 21 21 GLU N N 15 118.978 0.002 . 1 . . . . 14 GLU N . 15645 1 159 . 1 1 22 22 PHE H H 1 8.635 0.002 . 1 . . . . 15 PHE HN . 15645 1 160 . 1 1 22 22 PHE HA H 1 4.049 0.002 . 1 . . . . 15 PHE HA . 15645 1 161 . 1 1 22 22 PHE HB2 H 1 2.959 0.002 . 2 . . . . 15 PHE HB2 . 15645 1 162 . 1 1 22 22 PHE HB3 H 1 2.925 0.002 . 2 . . . . 15 PHE HB3 . 15645 1 163 . 1 1 22 22 PHE HD1 H 1 6.686 0.002 . 3 . . . . 15 PHE QD . 15645 1 164 . 1 1 22 22 PHE HD2 H 1 6.686 0.002 . 3 . . . . 15 PHE QD . 15645 1 165 . 1 1 22 22 PHE HE1 H 1 6.931 0.002 . 3 . . . . 15 PHE QE . 15645 1 166 . 1 1 22 22 PHE HE2 H 1 6.931 0.002 . 3 . . . . 15 PHE QE . 15645 1 167 . 1 1 22 22 PHE C C 13 177.402 0.002 . 1 . . . . 15 PHE C . 15645 1 168 . 1 1 22 22 PHE CA C 13 62.183 0.002 . 1 . . . . 15 PHE CA . 15645 1 169 . 1 1 22 22 PHE CB C 13 40.545 0.002 . 1 . . . . 15 PHE CB . 15645 1 170 . 1 1 22 22 PHE CD1 C 13 131.093 0.002 . 3 . . . . 15 PHE CD1 . 15645 1 171 . 1 1 22 22 PHE CD2 C 13 131.093 0.002 . 3 . . . . 15 PHE CD2 . 15645 1 172 . 1 1 22 22 PHE CE1 C 13 129.405 0.002 . 3 . . . . 15 PHE CE1 . 15645 1 173 . 1 1 22 22 PHE CE2 C 13 129.405 0.002 . 3 . . . . 15 PHE CE2 . 15645 1 174 . 1 1 22 22 PHE N N 15 124.639 0.002 . 1 . . . . 15 PHE N . 15645 1 175 . 1 1 23 23 VAL H H 1 8.647 0.002 . 1 . . . . 16 VAL HN . 15645 1 176 . 1 1 23 23 VAL HA H 1 3.416 0.002 . 1 . . . . 16 VAL HA . 15645 1 177 . 1 1 23 23 VAL HB H 1 2.281 0.002 . 1 . . . . 16 VAL HB . 15645 1 178 . 1 1 23 23 VAL HG11 H 1 1.081 0.002 . 2 . . . . 16 VAL QG1 . 15645 1 179 . 1 1 23 23 VAL HG12 H 1 1.081 0.002 . 2 . . . . 16 VAL QG1 . 15645 1 180 . 1 1 23 23 VAL HG13 H 1 1.081 0.002 . 2 . . . . 16 VAL QG1 . 15645 1 181 . 1 1 23 23 VAL HG21 H 1 0.903 0.002 . 2 . . . . 16 VAL QG2 . 15645 1 182 . 1 1 23 23 VAL HG22 H 1 0.903 0.002 . 2 . . . . 16 VAL QG2 . 15645 1 183 . 1 1 23 23 VAL HG23 H 1 0.903 0.002 . 2 . . . . 16 VAL QG2 . 15645 1 184 . 1 1 23 23 VAL C C 13 177.798 0.002 . 1 . . . . 16 VAL C . 15645 1 185 . 1 1 23 23 VAL CA C 13 67.917 0.002 . 1 . . . . 16 VAL CA . 15645 1 186 . 1 1 23 23 VAL CB C 13 31.579 0.002 . 1 . . . . 16 VAL CB . 15645 1 187 . 1 1 23 23 VAL CG1 C 13 24.515 0.002 . 2 . . . . 16 VAL CG1 . 15645 1 188 . 1 1 23 23 VAL CG2 C 13 21.738 0.002 . 2 . . . . 16 VAL CG2 . 15645 1 189 . 1 1 23 23 VAL N N 15 119.817 0.002 . 1 . . . . 16 VAL N . 15645 1 190 . 1 1 24 24 GLN H H 1 7.569 0.002 . 1 . . . . 17 GLN HN . 15645 1 191 . 1 1 24 24 GLN HA H 1 3.943 0.002 . 1 . . . . 17 GLN HA . 15645 1 192 . 1 1 24 24 GLN HB2 H 1 2.283 0.002 . 2 . . . . 17 GLN HB2 . 15645 1 193 . 1 1 24 24 GLN HB3 H 1 2.228 0.002 . 2 . . . . 17 GLN HB3 . 15645 1 194 . 1 1 24 24 GLN HE21 H 1 7.672 0.002 . 2 . . . . 17 GLN HE21 . 15645 1 195 . 1 1 24 24 GLN HE22 H 1 6.887 0.002 . 2 . . . . 17 GLN HE22 . 15645 1 196 . 1 1 24 24 GLN HG2 H 1 2.488 0.002 . 2 . . . . 17 GLN QG . 15645 1 197 . 1 1 24 24 GLN HG3 H 1 2.488 0.002 . 2 . . . . 17 GLN QG . 15645 1 198 . 1 1 24 24 GLN C C 13 178.313 0.002 . 1 . . . . 17 GLN C . 15645 1 199 . 1 1 24 24 GLN CA C 13 59.289 0.002 . 1 . . . . 17 GLN CA . 15645 1 200 . 1 1 24 24 GLN CB C 13 27.814 0.002 . 1 . . . . 17 GLN CB . 15645 1 201 . 1 1 24 24 GLN CD C 13 179.973 0.002 . 1 . . . . 17 GLN CD . 15645 1 202 . 1 1 24 24 GLN CG C 13 33.822 0.002 . 1 . . . . 17 GLN CG . 15645 1 203 . 1 1 24 24 GLN N N 15 117.658 0.002 . 1 . . . . 17 GLN N . 15645 1 204 . 1 1 24 24 GLN NE2 N 15 112.329 0.002 . 1 . . . . 17 GLN NE2 . 15645 1 205 . 1 1 25 25 LEU H H 1 7.512 0.002 . 1 . . . . 18 LEU HN . 15645 1 206 . 1 1 25 25 LEU HA H 1 4.136 0.002 . 1 . . . . 18 LEU HA . 15645 1 207 . 1 1 25 25 LEU HB2 H 1 1.889 0.002 . 2 . . . . 18 LEU HB2 . 15645 1 208 . 1 1 25 25 LEU HB3 H 1 1.500 0.002 . 2 . . . . 18 LEU HB3 . 15645 1 209 . 1 1 25 25 LEU HD11 H 1 0.640 0.002 . 2 . . . . 18 LEU QD1 . 15645 1 210 . 1 1 25 25 LEU HD12 H 1 0.640 0.002 . 2 . . . . 18 LEU QD1 . 15645 1 211 . 1 1 25 25 LEU HD13 H 1 0.640 0.002 . 2 . . . . 18 LEU QD1 . 15645 1 212 . 1 1 25 25 LEU HD21 H 1 0.929 0.002 . 2 . . . . 18 LEU QD2 . 15645 1 213 . 1 1 25 25 LEU HD22 H 1 0.929 0.002 . 2 . . . . 18 LEU QD2 . 15645 1 214 . 1 1 25 25 LEU HD23 H 1 0.929 0.002 . 2 . . . . 18 LEU QD2 . 15645 1 215 . 1 1 25 25 LEU HG H 1 1.343 0.002 . 1 . . . . 18 LEU HG . 15645 1 216 . 1 1 25 25 LEU C C 13 178.440 0.002 . 1 . . . . 18 LEU C . 15645 1 217 . 1 1 25 25 LEU CA C 13 58.651 0.002 . 1 . . . . 18 LEU CA . 15645 1 218 . 1 1 25 25 LEU CB C 13 40.626 0.002 . 1 . . . . 18 LEU CB . 15645 1 219 . 1 1 25 25 LEU CD1 C 13 25.816 0.002 . 2 . . . . 18 LEU CD1 . 15645 1 220 . 1 1 25 25 LEU CD2 C 13 23.975 0.002 . 2 . . . . 18 LEU CD2 . 15645 1 221 . 1 1 25 25 LEU CG C 13 27.893 0.002 . 1 . . . . 18 LEU CG . 15645 1 222 . 1 1 25 25 LEU N N 15 122.037 0.002 . 1 . . . . 18 LEU N . 15645 1 223 . 1 1 26 26 LEU H H 1 7.761 0.002 . 1 . . . . 19 LEU HN . 15645 1 224 . 1 1 26 26 LEU HA H 1 3.748 0.002 . 1 . . . . 19 LEU HA . 15645 1 225 . 1 1 26 26 LEU HB2 H 1 2.047 0.002 . 2 . . . . 19 LEU HB2 . 15645 1 226 . 1 1 26 26 LEU HB3 H 1 1.292 0.002 . 2 . . . . 19 LEU HB3 . 15645 1 227 . 1 1 26 26 LEU HD11 H 1 0.921 0.002 . 2 . . . . 19 LEU QD1 . 15645 1 228 . 1 1 26 26 LEU HD12 H 1 0.921 0.002 . 2 . . . . 19 LEU QD1 . 15645 1 229 . 1 1 26 26 LEU HD13 H 1 0.921 0.002 . 2 . . . . 19 LEU QD1 . 15645 1 230 . 1 1 26 26 LEU HD21 H 1 0.614 0.002 . 2 . . . . 19 LEU QD2 . 15645 1 231 . 1 1 26 26 LEU HD22 H 1 0.614 0.002 . 2 . . . . 19 LEU QD2 . 15645 1 232 . 1 1 26 26 LEU HD23 H 1 0.614 0.002 . 2 . . . . 19 LEU QD2 . 15645 1 233 . 1 1 26 26 LEU HG H 1 1.508 0.002 . 1 . . . . 19 LEU HG . 15645 1 234 . 1 1 26 26 LEU C C 13 180.080 0.002 . 1 . . . . 19 LEU C . 15645 1 235 . 1 1 26 26 LEU CA C 13 58.041 0.002 . 1 . . . . 19 LEU CA . 15645 1 236 . 1 1 26 26 LEU CB C 13 41.009 0.002 . 1 . . . . 19 LEU CB . 15645 1 237 . 1 1 26 26 LEU CD1 C 13 27.674 0.002 . 2 . . . . 19 LEU CD1 . 15645 1 238 . 1 1 26 26 LEU CD2 C 13 23.353 0.002 . 2 . . . . 19 LEU CD2 . 15645 1 239 . 1 1 26 26 LEU CG C 13 26.917 0.002 . 1 . . . . 19 LEU CG . 15645 1 240 . 1 1 26 26 LEU N N 15 118.502 0.002 . 1 . . . . 19 LEU N . 15645 1 241 . 1 1 27 27 LYS H H 1 8.357 0.002 . 1 . . . . 20 LYS HN . 15645 1 242 . 1 1 27 27 LYS HA H 1 4.019 0.002 . 1 . . . . 20 LYS HA . 15645 1 243 . 1 1 27 27 LYS HB2 H 1 2.014 0.002 . 2 . . . . 20 LYS HB2 . 15645 1 244 . 1 1 27 27 LYS HB3 H 1 1.857 0.002 . 2 . . . . 20 LYS HB3 . 15645 1 245 . 1 1 27 27 LYS HD2 H 1 1.637 0.002 . 2 . . . . 20 LYS QD . 15645 1 246 . 1 1 27 27 LYS HD3 H 1 1.637 0.002 . 2 . . . . 20 LYS QD . 15645 1 247 . 1 1 27 27 LYS HE2 H 1 2.877 0.002 . 2 . . . . 20 LYS QE . 15645 1 248 . 1 1 27 27 LYS HE3 H 1 2.877 0.002 . 2 . . . . 20 LYS QE . 15645 1 249 . 1 1 27 27 LYS HG2 H 1 1.613 0.002 . 2 . . . . 20 LYS HG2 . 15645 1 250 . 1 1 27 27 LYS HG3 H 1 1.453 0.002 . 2 . . . . 20 LYS HG3 . 15645 1 251 . 1 1 27 27 LYS C C 13 179.559 0.002 . 1 . . . . 20 LYS C . 15645 1 252 . 1 1 27 27 LYS CA C 13 59.648 0.002 . 1 . . . . 20 LYS CA . 15645 1 253 . 1 1 27 27 LYS CB C 13 31.995 0.002 . 1 . . . . 20 LYS CB . 15645 1 254 . 1 1 27 27 LYS CD C 13 29.191 0.002 . 1 . . . . 20 LYS CD . 15645 1 255 . 1 1 27 27 LYS CE C 13 42.018 0.002 . 1 . . . . 20 LYS CE . 15645 1 256 . 1 1 27 27 LYS CG C 13 26.156 0.002 . 1 . . . . 20 LYS CG . 15645 1 257 . 1 1 27 27 LYS N N 15 120.427 0.002 . 1 . . . . 20 LYS N . 15645 1 258 . 1 1 28 28 GLU H H 1 8.123 0.002 . 1 . . . . 21 GLU HN . 15645 1 259 . 1 1 28 28 GLU HA H 1 4.082 0.002 . 1 . . . . 21 GLU HA . 15645 1 260 . 1 1 28 28 GLU HB2 H 1 2.296 0.002 . 2 . . . . 21 GLU HB2 . 15645 1 261 . 1 1 28 28 GLU HB3 H 1 2.112 0.002 . 2 . . . . 21 GLU HB3 . 15645 1 262 . 1 1 28 28 GLU HG2 H 1 2.384 0.002 . 2 . . . . 21 GLU QG . 15645 1 263 . 1 1 28 28 GLU HG3 H 1 2.384 0.002 . 2 . . . . 21 GLU QG . 15645 1 264 . 1 1 28 28 GLU C C 13 179.063 0.002 . 1 . . . . 21 GLU C . 15645 1 265 . 1 1 28 28 GLU CA C 13 59.406 0.002 . 1 . . . . 21 GLU CA . 15645 1 266 . 1 1 28 28 GLU CB C 13 29.146 0.002 . 1 . . . . 21 GLU CB . 15645 1 267 . 1 1 28 28 GLU CG C 13 36.360 0.002 . 1 . . . . 21 GLU CG . 15645 1 268 . 1 1 28 28 GLU N N 15 122.374 0.002 . 1 . . . . 21 GLU N . 15645 1 269 . 1 1 29 29 ILE H H 1 8.049 0.002 . 1 . . . . 22 ILE HN . 15645 1 270 . 1 1 29 29 ILE HA H 1 3.343 0.002 . 1 . . . . 22 ILE HA . 15645 1 271 . 1 1 29 29 ILE HB H 1 1.838 0.002 . 1 . . . . 22 ILE HB . 15645 1 272 . 1 1 29 29 ILE HD11 H 1 0.535 0.002 . 1 . . . . 22 ILE QD1 . 15645 1 273 . 1 1 29 29 ILE HD12 H 1 0.535 0.002 . 1 . . . . 22 ILE QD1 . 15645 1 274 . 1 1 29 29 ILE HD13 H 1 0.535 0.002 . 1 . . . . 22 ILE QD1 . 15645 1 275 . 1 1 29 29 ILE HG12 H 1 1.789 0.002 . 2 . . . . 22 ILE HG12 . 15645 1 276 . 1 1 29 29 ILE HG13 H 1 0.686 0.002 . 2 . . . . 22 ILE HG13 . 15645 1 277 . 1 1 29 29 ILE HG21 H 1 0.623 0.002 . 1 . . . . 22 ILE QG2 . 15645 1 278 . 1 1 29 29 ILE HG22 H 1 0.623 0.002 . 1 . . . . 22 ILE QG2 . 15645 1 279 . 1 1 29 29 ILE HG23 H 1 0.623 0.002 . 1 . . . . 22 ILE QG2 . 15645 1 280 . 1 1 29 29 ILE C C 13 177.151 0.002 . 1 . . . . 22 ILE C . 15645 1 281 . 1 1 29 29 ILE CA C 13 66.435 0.002 . 1 . . . . 22 ILE CA . 15645 1 282 . 1 1 29 29 ILE CB C 13 37.954 0.002 . 1 . . . . 22 ILE CB . 15645 1 283 . 1 1 29 29 ILE CD1 C 13 13.328 0.002 . 1 . . . . 22 ILE CD1 . 15645 1 284 . 1 1 29 29 ILE CG1 C 13 31.758 0.002 . 1 . . . . 22 ILE CG1 . 15645 1 285 . 1 1 29 29 ILE CG2 C 13 17.196 0.002 . 1 . . . . 22 ILE CG2 . 15645 1 286 . 1 1 29 29 ILE N N 15 120.195 0.002 . 1 . . . . 22 ILE N . 15645 1 287 . 1 1 30 30 GLU H H 1 7.820 0.002 . 1 . . . . 23 GLU HN . 15645 1 288 . 1 1 30 30 GLU HA H 1 3.983 0.002 . 1 . . . . 23 GLU HA . 15645 1 289 . 1 1 30 30 GLU HB2 H 1 2.098 0.002 . 2 . . . . 23 GLU HB2 . 15645 1 290 . 1 1 30 30 GLU HB3 H 1 2.069 0.002 . 2 . . . . 23 GLU HB3 . 15645 1 291 . 1 1 30 30 GLU HG2 H 1 2.339 0.002 . 2 . . . . 23 GLU HG2 . 15645 1 292 . 1 1 30 30 GLU HG3 H 1 2.134 0.002 . 2 . . . . 23 GLU HG3 . 15645 1 293 . 1 1 30 30 GLU C C 13 178.990 0.002 . 1 . . . . 23 GLU C . 15645 1 294 . 1 1 30 30 GLU CA C 13 59.460 0.002 . 1 . . . . 23 GLU CA . 15645 1 295 . 1 1 30 30 GLU CB C 13 30.012 0.002 . 1 . . . . 23 GLU CB . 15645 1 296 . 1 1 30 30 GLU CG C 13 36.417 0.002 . 1 . . . . 23 GLU CG . 15645 1 297 . 1 1 30 30 GLU N N 15 118.917 0.002 . 1 . . . . 23 GLU N . 15645 1 298 . 1 1 31 31 LYS H H 1 7.678 0.002 . 1 . . . . 24 LYS HN . 15645 1 299 . 1 1 31 31 LYS HA H 1 4.059 0.002 . 1 . . . . 24 LYS HA . 15645 1 300 . 1 1 31 31 LYS HB2 H 1 1.969 0.002 . 2 . . . . 24 LYS QB . 15645 1 301 . 1 1 31 31 LYS HB3 H 1 1.969 0.002 . 2 . . . . 24 LYS QB . 15645 1 302 . 1 1 31 31 LYS HD2 H 1 1.693 0.002 . 2 . . . . 24 LYS QD . 15645 1 303 . 1 1 31 31 LYS HD3 H 1 1.693 0.002 . 2 . . . . 24 LYS QD . 15645 1 304 . 1 1 31 31 LYS HE2 H 1 2.945 0.002 . 2 . . . . 24 LYS QE . 15645 1 305 . 1 1 31 31 LYS HE3 H 1 2.945 0.002 . 2 . . . . 24 LYS QE . 15645 1 306 . 1 1 31 31 LYS HG2 H 1 1.593 0.002 . 2 . . . . 24 LYS HG2 . 15645 1 307 . 1 1 31 31 LYS HG3 H 1 1.428 0.002 . 2 . . . . 24 LYS HG3 . 15645 1 308 . 1 1 31 31 LYS C C 13 179.231 0.002 . 1 . . . . 24 LYS C . 15645 1 309 . 1 1 31 31 LYS CA C 13 59.152 0.002 . 1 . . . . 24 LYS CA . 15645 1 310 . 1 1 31 31 LYS CB C 13 32.712 0.002 . 1 . . . . 24 LYS CB . 15645 1 311 . 1 1 31 31 LYS CD C 13 29.556 0.002 . 1 . . . . 24 LYS CD . 15645 1 312 . 1 1 31 31 LYS CE C 13 42.029 0.002 . 1 . . . . 24 LYS CE . 15645 1 313 . 1 1 31 31 LYS CG C 13 25.059 0.002 . 1 . . . . 24 LYS CG . 15645 1 314 . 1 1 31 31 LYS N N 15 118.807 0.002 . 1 . . . . 24 LYS N . 15645 1 315 . 1 1 32 32 GLU H H 1 8.182 0.002 . 1 . . . . 25 GLU HN . 15645 1 316 . 1 1 32 32 GLU HA H 1 4.309 0.002 . 1 . . . . 25 GLU HA . 15645 1 317 . 1 1 32 32 GLU HB2 H 1 2.210 0.002 . 2 . . . . 25 GLU HB2 . 15645 1 318 . 1 1 32 32 GLU HB3 H 1 1.872 0.002 . 2 . . . . 25 GLU HB3 . 15645 1 319 . 1 1 32 32 GLU HG2 H 1 2.453 0.002 . 2 . . . . 25 GLU HG2 . 15645 1 320 . 1 1 32 32 GLU HG3 H 1 2.151 0.002 . 2 . . . . 25 GLU HG3 . 15645 1 321 . 1 1 32 32 GLU C C 13 177.897 0.002 . 1 . . . . 25 GLU C . 15645 1 322 . 1 1 32 32 GLU CA C 13 57.449 0.002 . 1 . . . . 25 GLU CA . 15645 1 323 . 1 1 32 32 GLU CB C 13 29.522 0.002 . 1 . . . . 25 GLU CB . 15645 1 324 . 1 1 32 32 GLU CG C 13 36.029 0.002 . 1 . . . . 25 GLU CG . 15645 1 325 . 1 1 32 32 GLU N N 15 118.578 0.002 . 1 . . . . 25 GLU N . 15645 1 326 . 1 1 33 33 ASN H H 1 8.343 0.002 . 1 . . . . 26 ASN HN . 15645 1 327 . 1 1 33 33 ASN HA H 1 4.608 0.002 . 1 . . . . 26 ASN HA . 15645 1 328 . 1 1 33 33 ASN HB2 H 1 2.884 0.002 . 2 . . . . 26 ASN QB . 15645 1 329 . 1 1 33 33 ASN HB3 H 1 2.884 0.002 . 2 . . . . 26 ASN QB . 15645 1 330 . 1 1 33 33 ASN C C 13 176.524 0.002 . 1 . . . . 26 ASN C . 15645 1 331 . 1 1 33 33 ASN CA C 13 55.463 0.002 . 1 . . . . 26 ASN CA . 15645 1 332 . 1 1 33 33 ASN CB C 13 39.074 0.002 . 1 . . . . 26 ASN CB . 15645 1 333 . 1 1 33 33 ASN N N 15 118.483 0.002 . 1 . . . . 26 ASN N . 15645 1 334 . 1 1 34 34 VAL H H 1 7.434 0.002 . 1 . . . . 27 VAL HN . 15645 1 335 . 1 1 34 34 VAL HA H 1 4.182 0.002 . 1 . . . . 27 VAL HA . 15645 1 336 . 1 1 34 34 VAL HB H 1 2.286 0.002 . 1 . . . . 27 VAL HB . 15645 1 337 . 1 1 34 34 VAL HG11 H 1 0.958 0.002 . 2 . . . . 27 VAL QG1 . 15645 1 338 . 1 1 34 34 VAL HG12 H 1 0.958 0.002 . 2 . . . . 27 VAL QG1 . 15645 1 339 . 1 1 34 34 VAL HG13 H 1 0.958 0.002 . 2 . . . . 27 VAL QG1 . 15645 1 340 . 1 1 34 34 VAL HG21 H 1 1.001 0.002 . 2 . . . . 27 VAL QG2 . 15645 1 341 . 1 1 34 34 VAL HG22 H 1 1.001 0.002 . 2 . . . . 27 VAL QG2 . 15645 1 342 . 1 1 34 34 VAL HG23 H 1 1.001 0.002 . 2 . . . . 27 VAL QG2 . 15645 1 343 . 1 1 34 34 VAL C C 13 176.315 0.002 . 1 . . . . 27 VAL C . 15645 1 344 . 1 1 34 34 VAL CA C 13 62.829 0.002 . 1 . . . . 27 VAL CA . 15645 1 345 . 1 1 34 34 VAL CB C 13 32.178 0.002 . 1 . . . . 27 VAL CB . 15645 1 346 . 1 1 34 34 VAL CG1 C 13 21.571 0.002 . 2 . . . . 27 VAL CG1 . 15645 1 347 . 1 1 34 34 VAL CG2 C 13 20.633 0.002 . 2 . . . . 27 VAL CG2 . 15645 1 348 . 1 1 34 34 VAL N N 15 114.036 0.002 . 1 . . . . 27 VAL N . 15645 1 349 . 1 1 35 35 ALA H H 1 7.648 0.002 . 1 . . . . 28 ALA HN . 15645 1 350 . 1 1 35 35 ALA HA H 1 4.346 0.002 . 1 . . . . 28 ALA HA . 15645 1 351 . 1 1 35 35 ALA HB1 H 1 1.549 0.002 . 1 . . . . 28 ALA QB . 15645 1 352 . 1 1 35 35 ALA HB2 H 1 1.549 0.002 . 1 . . . . 28 ALA QB . 15645 1 353 . 1 1 35 35 ALA HB3 H 1 1.549 0.002 . 1 . . . . 28 ALA QB . 15645 1 354 . 1 1 35 35 ALA C C 13 177.126 0.002 . 1 . . . . 28 ALA C . 15645 1 355 . 1 1 35 35 ALA CA C 13 52.712 0.002 . 1 . . . . 28 ALA CA . 15645 1 356 . 1 1 35 35 ALA CB C 13 19.915 0.002 . 1 . . . . 28 ALA CB . 15645 1 357 . 1 1 35 35 ALA N N 15 124.066 0.002 . 1 . . . . 28 ALA N . 15645 1 358 . 1 1 36 36 ALA H H 1 8.337 0.002 . 1 . . . . 29 ALA HN . 15645 1 359 . 1 1 36 36 ALA HA H 1 4.260 0.002 . 1 . . . . 29 ALA HA . 15645 1 360 . 1 1 36 36 ALA HB1 H 1 1.473 0.002 . 1 . . . . 29 ALA QB . 15645 1 361 . 1 1 36 36 ALA HB2 H 1 1.473 0.002 . 1 . . . . 29 ALA QB . 15645 1 362 . 1 1 36 36 ALA HB3 H 1 1.473 0.002 . 1 . . . . 29 ALA QB . 15645 1 363 . 1 1 36 36 ALA C C 13 177.999 0.002 . 1 . . . . 29 ALA C . 15645 1 364 . 1 1 36 36 ALA CA C 13 53.660 0.002 . 1 . . . . 29 ALA CA . 15645 1 365 . 1 1 36 36 ALA CB C 13 19.175 0.002 . 1 . . . . 29 ALA CB . 15645 1 366 . 1 1 36 36 ALA N N 15 121.695 0.002 . 1 . . . . 29 ALA N . 15645 1 367 . 1 1 37 37 THR H H 1 8.093 0.002 . 1 . . . . 30 THR HN . 15645 1 368 . 1 1 37 37 THR HA H 1 4.533 0.002 . 1 . . . . 30 THR HA . 15645 1 369 . 1 1 37 37 THR HB H 1 4.344 0.002 . 1 . . . . 30 THR HB . 15645 1 370 . 1 1 37 37 THR HG21 H 1 1.212 0.002 . 1 . . . . 30 THR QG2 . 15645 1 371 . 1 1 37 37 THR HG22 H 1 1.212 0.002 . 1 . . . . 30 THR QG2 . 15645 1 372 . 1 1 37 37 THR HG23 H 1 1.212 0.002 . 1 . . . . 30 THR QG2 . 15645 1 373 . 1 1 37 37 THR C C 13 174.715 0.002 . 1 . . . . 30 THR C . 15645 1 374 . 1 1 37 37 THR CA C 13 60.860 0.002 . 1 . . . . 30 THR CA . 15645 1 375 . 1 1 37 37 THR CB C 13 70.424 0.002 . 1 . . . . 30 THR CB . 15645 1 376 . 1 1 37 37 THR CG2 C 13 21.755 0.002 . 1 . . . . 30 THR CG2 . 15645 1 377 . 1 1 37 37 THR N N 15 110.112 0.002 . 1 . . . . 30 THR N . 15645 1 378 . 1 1 38 38 ASP H H 1 8.488 0.002 . 1 . . . . 31 ASP HN . 15645 1 379 . 1 1 38 38 ASP HA H 1 4.685 0.002 . 1 . . . . 31 ASP HA . 15645 1 380 . 1 1 38 38 ASP HB2 H 1 2.835 0.002 . 2 . . . . 31 ASP HB2 . 15645 1 381 . 1 1 38 38 ASP HB3 H 1 2.752 0.002 . 2 . . . . 31 ASP HB3 . 15645 1 382 . 1 1 38 38 ASP C C 13 175.896 0.002 . 1 . . . . 31 ASP C . 15645 1 383 . 1 1 38 38 ASP CA C 13 54.704 0.002 . 1 . . . . 31 ASP CA . 15645 1 384 . 1 1 38 38 ASP CB C 13 41.389 0.002 . 1 . . . . 31 ASP CB . 15645 1 385 . 1 1 38 38 ASP N N 15 121.899 0.002 . 1 . . . . 31 ASP N . 15645 1 386 . 1 1 39 39 ASP H H 1 8.368 0.002 . 1 . . . . 32 ASP HN . 15645 1 387 . 1 1 39 39 ASP HA H 1 4.459 0.002 . 1 . . . . 32 ASP HA . 15645 1 388 . 1 1 39 39 ASP HB2 H 1 2.705 0.002 . 2 . . . . 32 ASP QB . 15645 1 389 . 1 1 39 39 ASP HB3 H 1 2.705 0.002 . 2 . . . . 32 ASP QB . 15645 1 390 . 1 1 39 39 ASP C C 13 177.499 0.002 . 1 . . . . 32 ASP C . 15645 1 391 . 1 1 39 39 ASP CA C 13 56.443 0.002 . 1 . . . . 32 ASP CA . 15645 1 392 . 1 1 39 39 ASP CB C 13 40.737 0.002 . 1 . . . . 32 ASP CB . 15645 1 393 . 1 1 39 39 ASP N N 15 118.770 0.002 . 1 . . . . 32 ASP N . 15645 1 394 . 1 1 40 40 VAL H H 1 7.963 0.002 . 1 . . . . 33 VAL HN . 15645 1 395 . 1 1 40 40 VAL HA H 1 3.800 0.002 . 1 . . . . 33 VAL HA . 15645 1 396 . 1 1 40 40 VAL HB H 1 1.999 0.002 . 1 . . . . 33 VAL HB . 15645 1 397 . 1 1 40 40 VAL HG11 H 1 0.856 0.002 . 2 . . . . 33 VAL QG1 . 15645 1 398 . 1 1 40 40 VAL HG12 H 1 0.856 0.002 . 2 . . . . 33 VAL QG1 . 15645 1 399 . 1 1 40 40 VAL HG13 H 1 0.856 0.002 . 2 . . . . 33 VAL QG1 . 15645 1 400 . 1 1 40 40 VAL HG21 H 1 0.805 0.002 . 2 . . . . 33 VAL QG2 . 15645 1 401 . 1 1 40 40 VAL HG22 H 1 0.805 0.002 . 2 . . . . 33 VAL QG2 . 15645 1 402 . 1 1 40 40 VAL HG23 H 1 0.805 0.002 . 2 . . . . 33 VAL QG2 . 15645 1 403 . 1 1 40 40 VAL C C 13 177.362 0.002 . 1 . . . . 33 VAL C . 15645 1 404 . 1 1 40 40 VAL CA C 13 64.970 0.002 . 1 . . . . 33 VAL CA . 15645 1 405 . 1 1 40 40 VAL CB C 13 32.256 0.002 . 1 . . . . 33 VAL CB . 15645 1 406 . 1 1 40 40 VAL CG1 C 13 22.161 0.002 . 2 . . . . 33 VAL CG1 . 15645 1 407 . 1 1 40 40 VAL CG2 C 13 21.540 0.002 . 2 . . . . 33 VAL CG2 . 15645 1 408 . 1 1 40 40 VAL N N 15 119.409 0.002 . 1 . . . . 33 VAL N . 15645 1 409 . 1 1 41 41 LEU H H 1 8.508 0.002 . 1 . . . . 34 LEU HN . 15645 1 410 . 1 1 41 41 LEU HA H 1 3.857 0.002 . 1 . . . . 34 LEU HA . 15645 1 411 . 1 1 41 41 LEU HB2 H 1 1.806 0.002 . 2 . . . . 34 LEU HB2 . 15645 1 412 . 1 1 41 41 LEU HB3 H 1 1.579 0.002 . 2 . . . . 34 LEU HB3 . 15645 1 413 . 1 1 41 41 LEU HD11 H 1 0.967 0.002 . 2 . . . . 34 LEU QD1 . 15645 1 414 . 1 1 41 41 LEU HD12 H 1 0.967 0.002 . 2 . . . . 34 LEU QD1 . 15645 1 415 . 1 1 41 41 LEU HD13 H 1 0.967 0.002 . 2 . . . . 34 LEU QD1 . 15645 1 416 . 1 1 41 41 LEU HD21 H 1 0.899 0.002 . 2 . . . . 34 LEU QD2 . 15645 1 417 . 1 1 41 41 LEU HD22 H 1 0.899 0.002 . 2 . . . . 34 LEU QD2 . 15645 1 418 . 1 1 41 41 LEU HD23 H 1 0.899 0.002 . 2 . . . . 34 LEU QD2 . 15645 1 419 . 1 1 41 41 LEU HG H 1 1.605 0.002 . 1 . . . . 34 LEU HG . 15645 1 420 . 1 1 41 41 LEU C C 13 177.633 0.002 . 1 . . . . 34 LEU C . 15645 1 421 . 1 1 41 41 LEU CA C 13 58.428 0.002 . 1 . . . . 34 LEU CA . 15645 1 422 . 1 1 41 41 LEU CB C 13 41.755 0.002 . 1 . . . . 34 LEU CB . 15645 1 423 . 1 1 41 41 LEU CD1 C 13 26.199 0.002 . 2 . . . . 34 LEU CD1 . 15645 1 424 . 1 1 41 41 LEU CD2 C 13 23.977 0.002 . 2 . . . . 34 LEU CD2 . 15645 1 425 . 1 1 41 41 LEU CG C 13 26.967 0.002 . 1 . . . . 34 LEU CG . 15645 1 426 . 1 1 41 41 LEU N N 15 122.150 0.002 . 1 . . . . 34 LEU N . 15645 1 427 . 1 1 42 42 ASP H H 1 8.236 0.002 . 1 . . . . 35 ASP HN . 15645 1 428 . 1 1 42 42 ASP HA H 1 4.370 0.002 . 1 . . . . 35 ASP HA . 15645 1 429 . 1 1 42 42 ASP HB2 H 1 2.705 0.002 . 2 . . . . 35 ASP HB2 . 15645 1 430 . 1 1 42 42 ASP HB3 H 1 2.636 0.002 . 2 . . . . 35 ASP HB3 . 15645 1 431 . 1 1 42 42 ASP C C 13 179.155 0.002 . 1 . . . . 35 ASP C . 15645 1 432 . 1 1 42 42 ASP CA C 13 57.925 0.002 . 1 . . . . 35 ASP CA . 15645 1 433 . 1 1 42 42 ASP CB C 13 40.417 0.002 . 1 . . . . 35 ASP CB . 15645 1 434 . 1 1 42 42 ASP N N 15 116.374 0.002 . 1 . . . . 35 ASP N . 15645 1 435 . 1 1 43 43 VAL H H 1 7.320 0.002 . 1 . . . . 36 VAL HN . 15645 1 436 . 1 1 43 43 VAL HA H 1 3.782 0.002 . 1 . . . . 36 VAL HA . 15645 1 437 . 1 1 43 43 VAL HB H 1 2.223 0.002 . 1 . . . . 36 VAL HB . 15645 1 438 . 1 1 43 43 VAL HG11 H 1 1.063 0.002 . 2 . . . . 36 VAL QG1 . 15645 1 439 . 1 1 43 43 VAL HG12 H 1 1.063 0.002 . 2 . . . . 36 VAL QG1 . 15645 1 440 . 1 1 43 43 VAL HG13 H 1 1.063 0.002 . 2 . . . . 36 VAL QG1 . 15645 1 441 . 1 1 43 43 VAL HG21 H 1 0.886 0.002 . 2 . . . . 36 VAL QG2 . 15645 1 442 . 1 1 43 43 VAL HG22 H 1 0.886 0.002 . 2 . . . . 36 VAL QG2 . 15645 1 443 . 1 1 43 43 VAL HG23 H 1 0.886 0.002 . 2 . . . . 36 VAL QG2 . 15645 1 444 . 1 1 43 43 VAL C C 13 179.309 0.002 . 1 . . . . 36 VAL C . 15645 1 445 . 1 1 43 43 VAL CA C 13 66.080 0.002 . 1 . . . . 36 VAL CA . 15645 1 446 . 1 1 43 43 VAL CB C 13 32.245 0.002 . 1 . . . . 36 VAL CB . 15645 1 447 . 1 1 43 43 VAL CG1 C 13 22.395 0.002 . 2 . . . . 36 VAL CG1 . 15645 1 448 . 1 1 43 43 VAL CG2 C 13 21.242 0.002 . 2 . . . . 36 VAL CG2 . 15645 1 449 . 1 1 43 43 VAL N N 15 119.754 0.002 . 1 . . . . 36 VAL N . 15645 1 450 . 1 1 44 44 LEU H H 1 8.122 0.002 . 1 . . . . 37 LEU HN . 15645 1 451 . 1 1 44 44 LEU HA H 1 4.008 0.002 . 1 . . . . 37 LEU HA . 15645 1 452 . 1 1 44 44 LEU HB2 H 1 1.933 0.002 . 2 . . . . 37 LEU HB2 . 15645 1 453 . 1 1 44 44 LEU HB3 H 1 1.278 0.002 . 2 . . . . 37 LEU HB3 . 15645 1 454 . 1 1 44 44 LEU HD11 H 1 0.662 0.002 . 2 . . . . 37 LEU QD1 . 15645 1 455 . 1 1 44 44 LEU HD12 H 1 0.662 0.002 . 2 . . . . 37 LEU QD1 . 15645 1 456 . 1 1 44 44 LEU HD13 H 1 0.662 0.002 . 2 . . . . 37 LEU QD1 . 15645 1 457 . 1 1 44 44 LEU HD21 H 1 0.558 0.002 . 2 . . . . 37 LEU QD2 . 15645 1 458 . 1 1 44 44 LEU HD22 H 1 0.558 0.002 . 2 . . . . 37 LEU QD2 . 15645 1 459 . 1 1 44 44 LEU HD23 H 1 0.558 0.002 . 2 . . . . 37 LEU QD2 . 15645 1 460 . 1 1 44 44 LEU HG H 1 1.774 0.002 . 1 . . . . 37 LEU HG . 15645 1 461 . 1 1 44 44 LEU C C 13 179.518 0.002 . 1 . . . . 37 LEU C . 15645 1 462 . 1 1 44 44 LEU CA C 13 58.048 0.002 . 1 . . . . 37 LEU CA . 15645 1 463 . 1 1 44 44 LEU CB C 13 42.374 0.002 . 1 . . . . 37 LEU CB . 15645 1 464 . 1 1 44 44 LEU CD1 C 13 26.199 0.002 . 2 . . . . 37 LEU CD1 . 15645 1 465 . 1 1 44 44 LEU CD2 C 13 21.835 0.002 . 2 . . . . 37 LEU CD2 . 15645 1 466 . 1 1 44 44 LEU CG C 13 26.515 0.002 . 1 . . . . 37 LEU CG . 15645 1 467 . 1 1 44 44 LEU N N 15 120.608 0.002 . 1 . . . . 37 LEU N . 15645 1 468 . 1 1 45 45 LEU H H 1 8.898 0.002 . 1 . . . . 38 LEU HN . 15645 1 469 . 1 1 45 45 LEU HA H 1 4.030 0.002 . 1 . . . . 38 LEU HA . 15645 1 470 . 1 1 45 45 LEU HB2 H 1 2.014 0.002 . 2 . . . . 38 LEU HB2 . 15645 1 471 . 1 1 45 45 LEU HB3 H 1 1.480 0.002 . 2 . . . . 38 LEU HB3 . 15645 1 472 . 1 1 45 45 LEU HD11 H 1 0.997 0.002 . 2 . . . . 38 LEU QD1 . 15645 1 473 . 1 1 45 45 LEU HD12 H 1 0.997 0.002 . 2 . . . . 38 LEU QD1 . 15645 1 474 . 1 1 45 45 LEU HD13 H 1 0.997 0.002 . 2 . . . . 38 LEU QD1 . 15645 1 475 . 1 1 45 45 LEU HD21 H 1 0.717 0.002 . 2 . . . . 38 LEU QD2 . 15645 1 476 . 1 1 45 45 LEU HD22 H 1 0.717 0.002 . 2 . . . . 38 LEU QD2 . 15645 1 477 . 1 1 45 45 LEU HD23 H 1 0.717 0.002 . 2 . . . . 38 LEU QD2 . 15645 1 478 . 1 1 45 45 LEU HG H 1 1.857 0.002 . 1 . . . . 38 LEU HG . 15645 1 479 . 1 1 45 45 LEU C C 13 179.166 0.002 . 1 . . . . 38 LEU C . 15645 1 480 . 1 1 45 45 LEU CA C 13 58.184 0.002 . 1 . . . . 38 LEU CA . 15645 1 481 . 1 1 45 45 LEU CB C 13 41.506 0.002 . 1 . . . . 38 LEU CB . 15645 1 482 . 1 1 45 45 LEU CD1 C 13 26.199 0.002 . 2 . . . . 38 LEU CD1 . 15645 1 483 . 1 1 45 45 LEU CD2 C 13 22.996 0.002 . 2 . . . . 38 LEU CD2 . 15645 1 484 . 1 1 45 45 LEU CG C 13 26.864 0.002 . 1 . . . . 38 LEU CG . 15645 1 485 . 1 1 45 45 LEU N N 15 119.199 0.002 . 1 . . . . 38 LEU N . 15645 1 486 . 1 1 46 46 GLU H H 1 7.964 0.002 . 1 . . . . 39 GLU HN . 15645 1 487 . 1 1 46 46 GLU HA H 1 4.066 0.002 . 1 . . . . 39 GLU HA . 15645 1 488 . 1 1 46 46 GLU HB2 H 1 2.197 0.002 . 2 . . . . 39 GLU HB2 . 15645 1 489 . 1 1 46 46 GLU HB3 H 1 2.172 0.002 . 2 . . . . 39 GLU HB3 . 15645 1 490 . 1 1 46 46 GLU HG2 H 1 2.439 0.002 . 2 . . . . 39 GLU HG2 . 15645 1 491 . 1 1 46 46 GLU HG3 H 1 2.290 0.002 . 2 . . . . 39 GLU HG3 . 15645 1 492 . 1 1 46 46 GLU C C 13 178.995 0.002 . 1 . . . . 39 GLU C . 15645 1 493 . 1 1 46 46 GLU CA C 13 59.769 0.002 . 1 . . . . 39 GLU CA . 15645 1 494 . 1 1 46 46 GLU CB C 13 29.577 0.002 . 1 . . . . 39 GLU CB . 15645 1 495 . 1 1 46 46 GLU CG C 13 36.669 0.002 . 1 . . . . 39 GLU CG . 15645 1 496 . 1 1 46 46 GLU N N 15 119.334 0.002 . 1 . . . . 39 GLU N . 15645 1 497 . 1 1 47 47 HIS H H 1 8.009 0.002 . 1 . . . . 40 HIS HN . 15645 1 498 . 1 1 47 47 HIS HA H 1 4.416 0.002 . 1 . . . . 40 HIS HA . 15645 1 499 . 1 1 47 47 HIS HB2 H 1 3.437 0.002 . 2 . . . . 40 HIS HB2 . 15645 1 500 . 1 1 47 47 HIS HB3 H 1 3.184 0.002 . 2 . . . . 40 HIS HB3 . 15645 1 501 . 1 1 47 47 HIS HD2 H 1 6.732 0.002 . 1 . . . . 40 HIS HD2 . 15645 1 502 . 1 1 47 47 HIS HE1 H 1 8.322 0.002 . 1 . . . . 40 HIS HE1 . 15645 1 503 . 1 1 47 47 HIS C C 13 176.115 0.002 . 1 . . . . 40 HIS C . 15645 1 504 . 1 1 47 47 HIS CA C 13 60.151 0.002 . 1 . . . . 40 HIS CA . 15645 1 505 . 1 1 47 47 HIS CB C 13 30.389 0.002 . 1 . . . . 40 HIS CB . 15645 1 506 . 1 1 47 47 HIS CD2 C 13 120.795 0.002 . 1 . . . . 40 HIS CD2 . 15645 1 507 . 1 1 47 47 HIS CE1 C 13 139.544 0.002 . 1 . . . . 40 HIS CE1 . 15645 1 508 . 1 1 47 47 HIS N N 15 119.610 0.002 . 1 . . . . 40 HIS N . 15645 1 509 . 1 1 48 48 PHE H H 1 8.711 0.002 . 1 . . . . 41 PHE HN . 15645 1 510 . 1 1 48 48 PHE HA H 1 3.808 0.002 . 1 . . . . 41 PHE HA . 15645 1 511 . 1 1 48 48 PHE HB2 H 1 3.527 0.002 . 2 . . . . 41 PHE HB2 . 15645 1 512 . 1 1 48 48 PHE HB3 H 1 2.972 0.002 . 2 . . . . 41 PHE HB3 . 15645 1 513 . 1 1 48 48 PHE HD1 H 1 6.872 0.002 . 3 . . . . 41 PHE QD . 15645 1 514 . 1 1 48 48 PHE HD2 H 1 6.872 0.002 . 3 . . . . 41 PHE QD . 15645 1 515 . 1 1 48 48 PHE HE1 H 1 7.206 0.002 . 3 . . . . 41 PHE QE . 15645 1 516 . 1 1 48 48 PHE HE2 H 1 7.206 0.002 . 3 . . . . 41 PHE QE . 15645 1 517 . 1 1 48 48 PHE HZ H 1 6.944 0.002 . 1 . . . . 41 PHE HZ . 15645 1 518 . 1 1 48 48 PHE C C 13 178.023 0.002 . 1 . . . . 41 PHE C . 15645 1 519 . 1 1 48 48 PHE CA C 13 62.654 0.002 . 1 . . . . 41 PHE CA . 15645 1 520 . 1 1 48 48 PHE CB C 13 39.408 0.002 . 1 . . . . 41 PHE CB . 15645 1 521 . 1 1 48 48 PHE CD1 C 13 130.556 0.002 . 3 . . . . 41 PHE CD1 . 15645 1 522 . 1 1 48 48 PHE CD2 C 13 130.556 0.002 . 3 . . . . 41 PHE CD2 . 15645 1 523 . 1 1 48 48 PHE CE1 C 13 130.541 0.002 . 3 . . . . 41 PHE CE1 . 15645 1 524 . 1 1 48 48 PHE CE2 C 13 130.541 0.002 . 3 . . . . 41 PHE CE2 . 15645 1 525 . 1 1 48 48 PHE CZ C 13 128.060 0.002 . 1 . . . . 41 PHE CZ . 15645 1 526 . 1 1 48 48 PHE N N 15 118.110 0.002 . 1 . . . . 41 PHE N . 15645 1 527 . 1 1 49 49 VAL H H 1 8.439 0.002 . 1 . . . . 42 VAL HN . 15645 1 528 . 1 1 49 49 VAL HA H 1 3.359 0.002 . 1 . . . . 42 VAL HA . 15645 1 529 . 1 1 49 49 VAL HB H 1 2.276 0.002 . 1 . . . . 42 VAL HB . 15645 1 530 . 1 1 49 49 VAL HG11 H 1 1.246 0.002 . 2 . . . . 42 VAL QG1 . 15645 1 531 . 1 1 49 49 VAL HG12 H 1 1.246 0.002 . 2 . . . . 42 VAL QG1 . 15645 1 532 . 1 1 49 49 VAL HG13 H 1 1.246 0.002 . 2 . . . . 42 VAL QG1 . 15645 1 533 . 1 1 49 49 VAL HG21 H 1 1.018 0.002 . 2 . . . . 42 VAL QG2 . 15645 1 534 . 1 1 49 49 VAL HG22 H 1 1.018 0.002 . 2 . . . . 42 VAL QG2 . 15645 1 535 . 1 1 49 49 VAL HG23 H 1 1.018 0.002 . 2 . . . . 42 VAL QG2 . 15645 1 536 . 1 1 49 49 VAL C C 13 178.340 0.002 . 1 . . . . 42 VAL C . 15645 1 537 . 1 1 49 49 VAL CA C 13 67.276 0.002 . 1 . . . . 42 VAL CA . 15645 1 538 . 1 1 49 49 VAL CB C 13 32.235 0.002 . 1 . . . . 42 VAL CB . 15645 1 539 . 1 1 49 49 VAL CG1 C 13 24.123 0.002 . 2 . . . . 42 VAL CG1 . 15645 1 540 . 1 1 49 49 VAL CG2 C 13 21.631 0.002 . 2 . . . . 42 VAL CG2 . 15645 1 541 . 1 1 49 49 VAL N N 15 121.301 0.002 . 1 . . . . 42 VAL N . 15645 1 542 . 1 1 50 50 LYS H H 1 8.091 0.002 . 1 . . . . 43 LYS HN . 15645 1 543 . 1 1 50 50 LYS HA H 1 3.973 0.002 . 1 . . . . 43 LYS HA . 15645 1 544 . 1 1 50 50 LYS HB2 H 1 1.974 0.002 . 2 . . . . 43 LYS HB2 . 15645 1 545 . 1 1 50 50 LYS HB3 H 1 1.931 0.002 . 2 . . . . 43 LYS HB3 . 15645 1 546 . 1 1 50 50 LYS HD2 H 1 1.759 0.002 . 2 . . . . 43 LYS QD . 15645 1 547 . 1 1 50 50 LYS HD3 H 1 1.759 0.002 . 2 . . . . 43 LYS QD . 15645 1 548 . 1 1 50 50 LYS HE2 H 1 3.024 0.002 . 2 . . . . 43 LYS QE . 15645 1 549 . 1 1 50 50 LYS HE3 H 1 3.024 0.002 . 2 . . . . 43 LYS QE . 15645 1 550 . 1 1 50 50 LYS HG2 H 1 1.579 0.002 . 2 . . . . 43 LYS HG2 . 15645 1 551 . 1 1 50 50 LYS HG3 H 1 1.375 0.002 . 2 . . . . 43 LYS HG3 . 15645 1 552 . 1 1 50 50 LYS C C 13 178.985 0.002 . 1 . . . . 43 LYS C . 15645 1 553 . 1 1 50 50 LYS CA C 13 59.580 0.002 . 1 . . . . 43 LYS CA . 15645 1 554 . 1 1 50 50 LYS CB C 13 32.784 0.002 . 1 . . . . 43 LYS CB . 15645 1 555 . 1 1 50 50 LYS CD C 13 29.516 0.002 . 1 . . . . 43 LYS CD . 15645 1 556 . 1 1 50 50 LYS CE C 13 42.202 0.002 . 1 . . . . 43 LYS CE . 15645 1 557 . 1 1 50 50 LYS CG C 13 25.198 0.002 . 1 . . . . 43 LYS CG . 15645 1 558 . 1 1 50 50 LYS N N 15 120.887 0.002 . 1 . . . . 43 LYS N . 15645 1 559 . 1 1 51 51 ILE H H 1 8.347 0.002 . 1 . . . . 44 ILE HN . 15645 1 560 . 1 1 51 51 ILE HA H 1 4.159 0.002 . 1 . . . . 44 ILE HA . 15645 1 561 . 1 1 51 51 ILE HB H 1 1.757 0.002 . 1 . . . . 44 ILE HB . 15645 1 562 . 1 1 51 51 ILE HD11 H 1 0.575 0.002 . 1 . . . . 44 ILE QD1 . 15645 1 563 . 1 1 51 51 ILE HD12 H 1 0.575 0.002 . 1 . . . . 44 ILE QD1 . 15645 1 564 . 1 1 51 51 ILE HD13 H 1 0.575 0.002 . 1 . . . . 44 ILE QD1 . 15645 1 565 . 1 1 51 51 ILE HG12 H 1 1.325 0.002 . 2 . . . . 44 ILE HG12 . 15645 1 566 . 1 1 51 51 ILE HG13 H 1 0.894 0.002 . 2 . . . . 44 ILE HG13 . 15645 1 567 . 1 1 51 51 ILE HG21 H 1 0.620 0.002 . 1 . . . . 44 ILE QG2 . 15645 1 568 . 1 1 51 51 ILE HG22 H 1 0.620 0.002 . 1 . . . . 44 ILE QG2 . 15645 1 569 . 1 1 51 51 ILE HG23 H 1 0.620 0.002 . 1 . . . . 44 ILE QG2 . 15645 1 570 . 1 1 51 51 ILE C C 13 178.121 0.002 . 1 . . . . 44 ILE C . 15645 1 571 . 1 1 51 51 ILE CA C 13 62.328 0.002 . 1 . . . . 44 ILE CA . 15645 1 572 . 1 1 51 51 ILE CB C 13 37.576 0.002 . 1 . . . . 44 ILE CB . 15645 1 573 . 1 1 51 51 ILE CD1 C 13 13.484 0.002 . 1 . . . . 44 ILE CD1 . 15645 1 574 . 1 1 51 51 ILE CG1 C 13 25.965 0.002 . 1 . . . . 44 ILE CG1 . 15645 1 575 . 1 1 51 51 ILE CG2 C 13 17.681 0.002 . 1 . . . . 44 ILE CG2 . 15645 1 576 . 1 1 51 51 ILE N N 15 111.354 0.002 . 1 . . . . 44 ILE N . 15645 1 577 . 1 1 52 52 THR H H 1 7.588 0.002 . 1 . . . . 45 THR HN . 15645 1 578 . 1 1 52 52 THR HA H 1 3.683 0.002 . 1 . . . . 45 THR HA . 15645 1 579 . 1 1 52 52 THR HB H 1 3.680 0.002 . 1 . . . . 45 THR HB . 15645 1 580 . 1 1 52 52 THR HG21 H 1 0.751 0.002 . 1 . . . . 45 THR QG2 . 15645 1 581 . 1 1 52 52 THR HG22 H 1 0.751 0.002 . 1 . . . . 45 THR QG2 . 15645 1 582 . 1 1 52 52 THR HG23 H 1 0.751 0.002 . 1 . . . . 45 THR QG2 . 15645 1 583 . 1 1 52 52 THR C C 13 176.285 0.002 . 1 . . . . 45 THR C . 15645 1 584 . 1 1 52 52 THR CA C 13 65.803 0.002 . 1 . . . . 45 THR CA . 15645 1 585 . 1 1 52 52 THR CB C 13 69.689 0.002 . 1 . . . . 45 THR CB . 15645 1 586 . 1 1 52 52 THR CG2 C 13 22.819 0.002 . 1 . . . . 45 THR CG2 . 15645 1 587 . 1 1 52 52 THR N N 15 109.646 0.002 . 1 . . . . 45 THR N . 15645 1 588 . 1 1 53 53 GLU H H 1 7.366 0.002 . 1 . . . . 46 GLU HN . 15645 1 589 . 1 1 53 53 GLU HA H 1 3.836 0.002 . 1 . . . . 46 GLU HA . 15645 1 590 . 1 1 53 53 GLU HB2 H 1 2.366 0.002 . 2 . . . . 46 GLU QB . 15645 1 591 . 1 1 53 53 GLU HB3 H 1 2.366 0.002 . 2 . . . . 46 GLU QB . 15645 1 592 . 1 1 53 53 GLU HG2 H 1 2.179 0.002 . 2 . . . . 46 GLU HG2 . 15645 1 593 . 1 1 53 53 GLU HG3 H 1 2.062 0.002 . 2 . . . . 46 GLU HG3 . 15645 1 594 . 1 1 53 53 GLU C C 13 173.418 0.002 . 1 . . . . 46 GLU C . 15645 1 595 . 1 1 53 53 GLU CA C 13 57.709 0.002 . 1 . . . . 46 GLU CA . 15645 1 596 . 1 1 53 53 GLU CB C 13 29.067 0.002 . 1 . . . . 46 GLU CB . 15645 1 597 . 1 1 53 53 GLU CG C 13 38.042 0.002 . 1 . . . . 46 GLU CG . 15645 1 598 . 1 1 53 53 GLU N N 15 112.606 0.002 . 1 . . . . 46 GLU N . 15645 1 599 . 1 1 54 54 HIS H H 1 7.127 0.002 . 1 . . . . 47 HIS HN . 15645 1 600 . 1 1 54 54 HIS HA H 1 3.070 0.002 . 1 . . . . 47 HIS HA . 15645 1 601 . 1 1 54 54 HIS HB2 H 1 2.632 0.002 . 2 . . . . 47 HIS HB2 . 15645 1 602 . 1 1 54 54 HIS HB3 H 1 2.096 0.002 . 2 . . . . 47 HIS HB3 . 15645 1 603 . 1 1 54 54 HIS HD2 H 1 6.089 0.002 . 1 . . . . 47 HIS HD2 . 15645 1 604 . 1 1 54 54 HIS HE1 H 1 7.578 0.002 . 1 . . . . 47 HIS HE1 . 15645 1 605 . 1 1 54 54 HIS CA C 13 55.826 0.002 . 1 . . . . 47 HIS CA . 15645 1 606 . 1 1 54 54 HIS CB C 13 32.124 0.002 . 1 . . . . 47 HIS CB . 15645 1 607 . 1 1 54 54 HIS CD2 C 13 115.025 0.002 . 1 . . . . 47 HIS CD2 . 15645 1 608 . 1 1 54 54 HIS CE1 C 13 138.093 0.002 . 1 . . . . 47 HIS CE1 . 15645 1 609 . 1 1 54 54 HIS N N 15 119.651 0.002 . 1 . . . . 47 HIS N . 15645 1 610 . 1 1 55 55 PRO HA H 1 4.143 0.002 . 1 . . . . 48 PRO HA . 15645 1 611 . 1 1 55 55 PRO HB2 H 1 2.196 0.002 . 2 . . . . 48 PRO HB2 . 15645 1 612 . 1 1 55 55 PRO HB3 H 1 1.806 0.002 . 2 . . . . 48 PRO HB3 . 15645 1 613 . 1 1 55 55 PRO HD2 H 1 2.571 0.002 . 2 . . . . 48 PRO HD2 . 15645 1 614 . 1 1 55 55 PRO HD3 H 1 1.132 0.002 . 2 . . . . 48 PRO HD3 . 15645 1 615 . 1 1 55 55 PRO HG2 H 1 1.736 0.002 . 2 . . . . 48 PRO HG2 . 15645 1 616 . 1 1 55 55 PRO HG3 H 1 1.524 0.002 . 2 . . . . 48 PRO HG3 . 15645 1 617 . 1 1 55 55 PRO CA C 13 64.843 0.002 . 1 . . . . 48 PRO CA . 15645 1 618 . 1 1 55 55 PRO CB C 13 32.350 0.002 . 1 . . . . 48 PRO CB . 15645 1 619 . 1 1 55 55 PRO CD C 13 50.641 0.002 . 1 . . . . 48 PRO CD . 15645 1 620 . 1 1 55 55 PRO CG C 13 27.025 0.002 . 1 . . . . 48 PRO CG . 15645 1 621 . 1 1 56 56 ASP H H 1 10.605 0.002 . 1 . . . . 49 ASP HN . 15645 1 622 . 1 1 56 56 ASP HA H 1 4.712 0.002 . 1 . . . . 49 ASP HA . 15645 1 623 . 1 1 56 56 ASP HB2 H 1 2.647 0.002 . 2 . . . . 49 ASP HB2 . 15645 1 624 . 1 1 56 56 ASP HB3 H 1 2.550 0.002 . 2 . . . . 49 ASP HB3 . 15645 1 625 . 1 1 56 56 ASP C C 13 178.187 0.002 . 1 . . . . 49 ASP C . 15645 1 626 . 1 1 56 56 ASP CA C 13 54.989 0.002 . 1 . . . . 49 ASP CA . 15645 1 627 . 1 1 56 56 ASP CB C 13 40.657 0.002 . 1 . . . . 49 ASP CB . 15645 1 628 . 1 1 56 56 ASP N N 15 121.022 0.002 . 1 . . . . 49 ASP N . 15645 1 629 . 1 1 57 57 GLY H H 1 8.011 0.002 . 1 . . . . 50 GLY HN . 15645 1 630 . 1 1 57 57 GLY HA2 H 1 4.122 0.002 . 1 . . . . 50 GLY HA1 . 15645 1 631 . 1 1 57 57 GLY HA3 H 1 3.701 0.002 . 2 . . . . 50 GLY HA2 . 15645 1 632 . 1 1 57 57 GLY C C 13 175.337 0.002 . 1 . . . . 50 GLY C . 15645 1 633 . 1 1 57 57 GLY CA C 13 47.435 0.002 . 1 . . . . 50 GLY CA . 15645 1 634 . 1 1 57 57 GLY N N 15 108.190 0.002 . 1 . . . . 50 GLY N . 15645 1 635 . 1 1 58 58 THR H H 1 9.047 0.002 . 1 . . . . 51 THR HN . 15645 1 636 . 1 1 58 58 THR HA H 1 3.730 0.002 . 1 . . . . 51 THR HA . 15645 1 637 . 1 1 58 58 THR HB H 1 4.375 0.002 . 1 . . . . 51 THR HB . 15645 1 638 . 1 1 58 58 THR HG21 H 1 1.357 0.002 . 1 . . . . 51 THR QG2 . 15645 1 639 . 1 1 58 58 THR HG22 H 1 1.357 0.002 . 1 . . . . 51 THR QG2 . 15645 1 640 . 1 1 58 58 THR HG23 H 1 1.357 0.002 . 1 . . . . 51 THR QG2 . 15645 1 641 . 1 1 58 58 THR C C 13 176.082 0.002 . 1 . . . . 51 THR C . 15645 1 642 . 1 1 58 58 THR CA C 13 64.795 0.002 . 1 . . . . 51 THR CA . 15645 1 643 . 1 1 58 58 THR CB C 13 68.398 0.002 . 1 . . . . 51 THR CB . 15645 1 644 . 1 1 58 58 THR CG2 C 13 24.074 0.002 . 1 . . . . 51 THR CG2 . 15645 1 645 . 1 1 58 58 THR N N 15 114.996 0.002 . 1 . . . . 51 THR N . 15645 1 646 . 1 1 59 59 ALA H H 1 8.142 0.002 . 1 . . . . 52 ALA HN . 15645 1 647 . 1 1 59 59 ALA HA H 1 4.205 0.002 . 1 . . . . 52 ALA HA . 15645 1 648 . 1 1 59 59 ALA HB1 H 1 1.497 0.002 . 1 . . . . 52 ALA QB . 15645 1 649 . 1 1 59 59 ALA HB2 H 1 1.497 0.002 . 1 . . . . 52 ALA QB . 15645 1 650 . 1 1 59 59 ALA HB3 H 1 1.497 0.002 . 1 . . . . 52 ALA QB . 15645 1 651 . 1 1 59 59 ALA C C 13 179.373 0.002 . 1 . . . . 52 ALA C . 15645 1 652 . 1 1 59 59 ALA CA C 13 55.625 0.002 . 1 . . . . 52 ALA CA . 15645 1 653 . 1 1 59 59 ALA CB C 13 18.416 0.002 . 1 . . . . 52 ALA CB . 15645 1 654 . 1 1 59 59 ALA N N 15 125.565 0.002 . 1 . . . . 52 ALA N . 15645 1 655 . 1 1 60 60 LEU H H 1 7.399 0.002 . 1 . . . . 53 LEU HN . 15645 1 656 . 1 1 60 60 LEU HA H 1 3.835 0.002 . 1 . . . . 53 LEU HA . 15645 1 657 . 1 1 60 60 LEU HB2 H 1 1.667 0.002 . 2 . . . . 53 LEU HB2 . 15645 1 658 . 1 1 60 60 LEU HB3 H 1 1.388 0.002 . 2 . . . . 53 LEU HB3 . 15645 1 659 . 1 1 60 60 LEU HD11 H 1 0.382 0.002 . 2 . . . . 53 LEU QD1 . 15645 1 660 . 1 1 60 60 LEU HD12 H 1 0.382 0.002 . 2 . . . . 53 LEU QD1 . 15645 1 661 . 1 1 60 60 LEU HD13 H 1 0.382 0.002 . 2 . . . . 53 LEU QD1 . 15645 1 662 . 1 1 60 60 LEU HD21 H 1 0.442 0.002 . 2 . . . . 53 LEU QD2 . 15645 1 663 . 1 1 60 60 LEU HD22 H 1 0.442 0.002 . 2 . . . . 53 LEU QD2 . 15645 1 664 . 1 1 60 60 LEU HD23 H 1 0.442 0.002 . 2 . . . . 53 LEU QD2 . 15645 1 665 . 1 1 60 60 LEU HG H 1 1.421 0.002 . 1 . . . . 53 LEU HG . 15645 1 666 . 1 1 60 60 LEU C C 13 178.601 0.002 . 1 . . . . 53 LEU C . 15645 1 667 . 1 1 60 60 LEU CA C 13 58.031 0.002 . 1 . . . . 53 LEU CA . 15645 1 668 . 1 1 60 60 LEU CB C 13 43.487 0.002 . 1 . . . . 53 LEU CB . 15645 1 669 . 1 1 60 60 LEU CD1 C 13 24.973 0.002 . 2 . . . . 53 LEU CD1 . 15645 1 670 . 1 1 60 60 LEU CD2 C 13 23.605 0.002 . 2 . . . . 53 LEU CD2 . 15645 1 671 . 1 1 60 60 LEU CG C 13 27.676 0.002 . 1 . . . . 53 LEU CG . 15645 1 672 . 1 1 60 60 LEU N N 15 114.763 0.002 . 1 . . . . 53 LEU N . 15645 1 673 . 1 1 61 61 ILE H H 1 6.855 0.002 . 1 . . . . 54 ILE HN . 15645 1 674 . 1 1 61 61 ILE HA H 1 3.518 0.002 . 1 . . . . 54 ILE HA . 15645 1 675 . 1 1 61 61 ILE HB H 1 1.383 0.002 . 1 . . . . 54 ILE HB . 15645 1 676 . 1 1 61 61 ILE HD11 H 1 -0.260 0.002 . 1 . . . . 54 ILE QD1 . 15645 1 677 . 1 1 61 61 ILE HD12 H 1 -0.260 0.002 . 1 . . . . 54 ILE QD1 . 15645 1 678 . 1 1 61 61 ILE HD13 H 1 -0.260 0.002 . 1 . . . . 54 ILE QD1 . 15645 1 679 . 1 1 61 61 ILE HG12 H 1 0.762 0.002 . 2 . . . . 54 ILE HG12 . 15645 1 680 . 1 1 61 61 ILE HG13 H 1 0.401 0.002 . 2 . . . . 54 ILE HG13 . 15645 1 681 . 1 1 61 61 ILE HG21 H 1 0.231 0.002 . 1 . . . . 54 ILE QG2 . 15645 1 682 . 1 1 61 61 ILE HG22 H 1 0.231 0.002 . 1 . . . . 54 ILE QG2 . 15645 1 683 . 1 1 61 61 ILE HG23 H 1 0.231 0.002 . 1 . . . . 54 ILE QG2 . 15645 1 684 . 1 1 61 61 ILE C C 13 178.595 0.002 . 1 . . . . 54 ILE C . 15645 1 685 . 1 1 61 61 ILE CA C 13 62.989 0.002 . 1 . . . . 54 ILE CA . 15645 1 686 . 1 1 61 61 ILE CB C 13 38.424 0.002 . 1 . . . . 54 ILE CB . 15645 1 687 . 1 1 61 61 ILE CD1 C 13 12.242 0.002 . 1 . . . . 54 ILE CD1 . 15645 1 688 . 1 1 61 61 ILE CG1 C 13 28.174 0.002 . 1 . . . . 54 ILE CG1 . 15645 1 689 . 1 1 61 61 ILE CG2 C 13 16.457 0.002 . 1 . . . . 54 ILE CG2 . 15645 1 690 . 1 1 61 61 ILE N N 15 114.394 0.002 . 1 . . . . 54 ILE N . 15645 1 691 . 1 1 62 62 TYR H H 1 7.489 0.002 . 1 . . . . 55 TYR HN . 15645 1 692 . 1 1 62 62 TYR HA H 1 4.243 0.002 . 1 . . . . 55 TYR HA . 15645 1 693 . 1 1 62 62 TYR HB2 H 1 3.201 0.002 . 2 . . . . 55 TYR HB2 . 15645 1 694 . 1 1 62 62 TYR HB3 H 1 2.802 0.002 . 2 . . . . 55 TYR HB3 . 15645 1 695 . 1 1 62 62 TYR HD1 H 1 7.094 0.002 . 3 . . . . 55 TYR QD . 15645 1 696 . 1 1 62 62 TYR HD2 H 1 7.094 0.002 . 3 . . . . 55 TYR QD . 15645 1 697 . 1 1 62 62 TYR HE1 H 1 6.703 0.002 . 3 . . . . 55 TYR QE . 15645 1 698 . 1 1 62 62 TYR HE2 H 1 6.703 0.002 . 3 . . . . 55 TYR QE . 15645 1 699 . 1 1 62 62 TYR C C 13 178.634 0.002 . 1 . . . . 55 TYR C . 15645 1 700 . 1 1 62 62 TYR CA C 13 61.518 0.002 . 1 . . . . 55 TYR CA . 15645 1 701 . 1 1 62 62 TYR CB C 13 37.566 0.002 . 1 . . . . 55 TYR CB . 15645 1 702 . 1 1 62 62 TYR CD1 C 13 131.805 0.002 . 3 . . . . 55 TYR CD1 . 15645 1 703 . 1 1 62 62 TYR CD2 C 13 131.805 0.002 . 3 . . . . 55 TYR CD2 . 15645 1 704 . 1 1 62 62 TYR CE1 C 13 116.916 0.002 . 3 . . . . 55 TYR CE1 . 15645 1 705 . 1 1 62 62 TYR CE2 C 13 116.916 0.002 . 3 . . . . 55 TYR CE2 . 15645 1 706 . 1 1 62 62 TYR N N 15 117.898 0.002 . 1 . . . . 55 TYR N . 15645 1 707 . 1 1 63 63 GLU H H 1 8.659 0.002 . 1 . . . . 56 GLU HN . 15645 1 708 . 1 1 63 63 GLU HA H 1 4.441 0.002 . 1 . . . . 56 GLU HA . 15645 1 709 . 1 1 63 63 GLU HB2 H 1 2.169 0.002 . 2 . . . . 56 GLU HB2 . 15645 1 710 . 1 1 63 63 GLU HB3 H 1 2.021 0.002 . 2 . . . . 56 GLU HB3 . 15645 1 711 . 1 1 63 63 GLU HG2 H 1 2.360 0.002 . 2 . . . . 56 GLU HG2 . 15645 1 712 . 1 1 63 63 GLU HG3 H 1 2.266 0.002 . 2 . . . . 56 GLU HG3 . 15645 1 713 . 1 1 63 63 GLU C C 13 177.785 0.002 . 1 . . . . 56 GLU C . 15645 1 714 . 1 1 63 63 GLU CA C 13 57.658 0.002 . 1 . . . . 56 GLU CA . 15645 1 715 . 1 1 63 63 GLU CB C 13 29.034 0.002 . 1 . . . . 56 GLU CB . 15645 1 716 . 1 1 63 63 GLU CG C 13 36.559 0.002 . 1 . . . . 56 GLU CG . 15645 1 717 . 1 1 63 63 GLU N N 15 119.392 0.002 . 1 . . . . 56 GLU N . 15645 1 718 . 1 1 64 64 ALA H H 1 7.164 0.002 . 1 . . . . 57 ALA HN . 15645 1 719 . 1 1 64 64 ALA HA H 1 4.021 0.002 . 1 . . . . 57 ALA HA . 15645 1 720 . 1 1 64 64 ALA HB1 H 1 1.487 0.002 . 1 . . . . 57 ALA QB . 15645 1 721 . 1 1 64 64 ALA HB2 H 1 1.487 0.002 . 1 . . . . 57 ALA QB . 15645 1 722 . 1 1 64 64 ALA HB3 H 1 1.487 0.002 . 1 . . . . 57 ALA QB . 15645 1 723 . 1 1 64 64 ALA C C 13 180.327 0.002 . 1 . . . . 57 ALA C . 15645 1 724 . 1 1 64 64 ALA CA C 13 55.759 0.002 . 1 . . . . 57 ALA CA . 15645 1 725 . 1 1 64 64 ALA CB C 13 18.615 0.002 . 1 . . . . 57 ALA CB . 15645 1 726 . 1 1 64 64 ALA N N 15 121.778 0.002 . 1 . . . . 57 ALA N . 15645 1 727 . 1 1 65 65 ALA H H 1 8.076 0.002 . 1 . . . . 58 ALA HN . 15645 1 728 . 1 1 65 65 ALA HA H 1 4.137 0.002 . 1 . . . . 58 ALA HA . 15645 1 729 . 1 1 65 65 ALA HB1 H 1 1.465 0.002 . 1 . . . . 58 ALA QB . 15645 1 730 . 1 1 65 65 ALA HB2 H 1 1.465 0.002 . 1 . . . . 58 ALA QB . 15645 1 731 . 1 1 65 65 ALA HB3 H 1 1.465 0.002 . 1 . . . . 58 ALA QB . 15645 1 732 . 1 1 65 65 ALA C C 13 180.248 0.002 . 1 . . . . 58 ALA C . 15645 1 733 . 1 1 65 65 ALA CA C 13 55.104 0.002 . 1 . . . . 58 ALA CA . 15645 1 734 . 1 1 65 65 ALA CB C 13 18.071 0.002 . 1 . . . . 58 ALA CB . 15645 1 735 . 1 1 65 65 ALA N N 15 120.307 0.002 . 1 . . . . 58 ALA N . 15645 1 736 . 1 1 66 66 ALA H H 1 7.893 0.002 . 1 . . . . 59 ALA HN . 15645 1 737 . 1 1 66 66 ALA HA H 1 4.170 0.002 . 1 . . . . 59 ALA HA . 15645 1 738 . 1 1 66 66 ALA HB1 H 1 1.489 0.002 . 1 . . . . 59 ALA QB . 15645 1 739 . 1 1 66 66 ALA HB2 H 1 1.489 0.002 . 1 . . . . 59 ALA QB . 15645 1 740 . 1 1 66 66 ALA HB3 H 1 1.489 0.002 . 1 . . . . 59 ALA QB . 15645 1 741 . 1 1 66 66 ALA C C 13 180.838 0.002 . 1 . . . . 59 ALA C . 15645 1 742 . 1 1 66 66 ALA CA C 13 54.800 0.002 . 1 . . . . 59 ALA CA . 15645 1 743 . 1 1 66 66 ALA CB C 13 18.184 0.002 . 1 . . . . 59 ALA CB . 15645 1 744 . 1 1 66 66 ALA N N 15 122.126 0.002 . 1 . . . . 59 ALA N . 15645 1 745 . 1 1 67 67 ARG H H 1 8.139 0.002 . 1 . . . . 60 ARG HN . 15645 1 746 . 1 1 67 67 ARG HA H 1 4.065 0.002 . 1 . . . . 60 ARG HA . 15645 1 747 . 1 1 67 67 ARG HB2 H 1 1.878 0.002 . 2 . . . . 60 ARG QB . 15645 1 748 . 1 1 67 67 ARG HB3 H 1 1.878 0.002 . 2 . . . . 60 ARG QB . 15645 1 749 . 1 1 67 67 ARG HD2 H 1 3.199 0.002 . 2 . . . . 60 ARG HD2 . 15645 1 750 . 1 1 67 67 ARG HD3 H 1 3.105 0.002 . 2 . . . . 60 ARG HD3 . 15645 1 751 . 1 1 67 67 ARG HG2 H 1 1.883 0.002 . 2 . . . . 60 ARG HG2 . 15645 1 752 . 1 1 67 67 ARG HG3 H 1 1.542 0.002 . 2 . . . . 60 ARG HG3 . 15645 1 753 . 1 1 67 67 ARG C C 13 178.779 0.002 . 1 . . . . 60 ARG C . 15645 1 754 . 1 1 67 67 ARG CA C 13 59.282 0.002 . 1 . . . . 60 ARG CA . 15645 1 755 . 1 1 67 67 ARG CB C 13 30.863 0.002 . 1 . . . . 60 ARG CB . 15645 1 756 . 1 1 67 67 ARG CD C 13 43.734 0.002 . 1 . . . . 60 ARG CD . 15645 1 757 . 1 1 67 67 ARG CG C 13 28.538 0.002 . 1 . . . . 60 ARG CG . 15645 1 758 . 1 1 67 67 ARG N N 15 118.948 0.002 . 1 . . . . 60 ARG N . 15645 1 759 . 1 1 68 68 ALA H H 1 7.891 0.002 . 1 . . . . 61 ALA HN . 15645 1 760 . 1 1 68 68 ALA HA H 1 4.141 0.002 . 1 . . . . 61 ALA HA . 15645 1 761 . 1 1 68 68 ALA HB1 H 1 1.453 0.002 . 1 . . . . 61 ALA QB . 15645 1 762 . 1 1 68 68 ALA HB2 H 1 1.453 0.002 . 1 . . . . 61 ALA QB . 15645 1 763 . 1 1 68 68 ALA HB3 H 1 1.453 0.002 . 1 . . . . 61 ALA QB . 15645 1 764 . 1 1 68 68 ALA C C 13 179.329 0.002 . 1 . . . . 61 ALA C . 15645 1 765 . 1 1 68 68 ALA CA C 13 54.340 0.002 . 1 . . . . 61 ALA CA . 15645 1 766 . 1 1 68 68 ALA CB C 13 18.528 0.002 . 1 . . . . 61 ALA CB . 15645 1 767 . 1 1 68 68 ALA N N 15 121.473 0.002 . 1 . . . . 61 ALA N . 15645 1 768 . 1 1 69 69 ALA H H 1 7.663 0.002 . 1 . . . . 62 ALA HN . 15645 1 769 . 1 1 69 69 ALA HA H 1 4.133 0.002 . 1 . . . . 62 ALA HA . 15645 1 770 . 1 1 69 69 ALA HB1 H 1 1.445 0.002 . 1 . . . . 62 ALA QB . 15645 1 771 . 1 1 69 69 ALA HB2 H 1 1.445 0.002 . 1 . . . . 62 ALA QB . 15645 1 772 . 1 1 69 69 ALA HB3 H 1 1.445 0.002 . 1 . . . . 62 ALA QB . 15645 1 773 . 1 1 69 69 ALA C C 13 178.591 0.002 . 1 . . . . 62 ALA C . 15645 1 774 . 1 1 69 69 ALA CA C 13 53.863 0.002 . 1 . . . . 62 ALA CA . 15645 1 775 . 1 1 69 69 ALA CB C 13 18.438 0.002 . 1 . . . . 62 ALA CB . 15645 1 776 . 1 1 69 69 ALA N N 15 118.937 0.002 . 1 . . . . 62 ALA N . 15645 1 777 . 1 1 70 70 ALA H H 1 7.488 0.002 . 1 . . . . 63 ALA HN . 15645 1 778 . 1 1 70 70 ALA HA H 1 4.280 0.002 . 1 . . . . 63 ALA HA . 15645 1 779 . 1 1 70 70 ALA HB1 H 1 1.448 0.002 . 1 . . . . 63 ALA QB . 15645 1 780 . 1 1 70 70 ALA HB2 H 1 1.448 0.002 . 1 . . . . 63 ALA QB . 15645 1 781 . 1 1 70 70 ALA HB3 H 1 1.448 0.002 . 1 . . . . 63 ALA QB . 15645 1 782 . 1 1 70 70 ALA C C 13 177.318 0.002 . 1 . . . . 63 ALA C . 15645 1 783 . 1 1 70 70 ALA CA C 13 52.981 0.002 . 1 . . . . 63 ALA CA . 15645 1 784 . 1 1 70 70 ALA CB C 13 19.324 0.002 . 1 . . . . 63 ALA CB . 15645 1 785 . 1 1 70 70 ALA N N 15 118.642 0.002 . 1 . . . . 63 ALA N . 15645 1 786 . 1 1 71 71 ASN H H 1 7.631 0.002 . 1 . . . . 64 ASN HN . 15645 1 787 . 1 1 71 71 ASN HA H 1 5.077 0.002 . 1 . . . . 64 ASN HA . 15645 1 788 . 1 1 71 71 ASN HB2 H 1 2.816 0.002 . 2 . . . . 64 ASN HB2 . 15645 1 789 . 1 1 71 71 ASN HB3 H 1 2.700 0.002 . 2 . . . . 64 ASN HB3 . 15645 1 790 . 1 1 71 71 ASN HD21 H 1 7.675 0.002 . 2 . . . . 64 ASN HD21 . 15645 1 791 . 1 1 71 71 ASN HD22 H 1 6.881 0.002 . 2 . . . . 64 ASN HD22 . 15645 1 792 . 1 1 71 71 ASN CA C 13 50.877 0.002 . 1 . . . . 64 ASN CA . 15645 1 793 . 1 1 71 71 ASN CB C 13 39.243 0.002 . 1 . . . . 64 ASN CB . 15645 1 794 . 1 1 71 71 ASN CG C 13 177.577 0.002 . 1 . . . . 64 ASN CG . 15645 1 795 . 1 1 71 71 ASN N N 15 116.008 0.002 . 1 . . . . 64 ASN N . 15645 1 796 . 1 1 71 71 ASN ND2 N 15 112.865 0.002 . 1 . . . . 64 ASN ND2 . 15645 1 797 . 1 1 72 72 PRO HA H 1 4.468 0.002 . 1 . . . . 65 PRO HA . 15645 1 798 . 1 1 72 72 PRO HB2 H 1 2.318 0.002 . 2 . . . . 65 PRO HB2 . 15645 1 799 . 1 1 72 72 PRO HB3 H 1 1.973 0.002 . 2 . . . . 65 PRO HB3 . 15645 1 800 . 1 1 72 72 PRO HD2 H 1 3.693 0.002 . 2 . . . . 65 PRO QD . 15645 1 801 . 1 1 72 72 PRO HD3 H 1 3.693 0.002 . 2 . . . . 65 PRO QD . 15645 1 802 . 1 1 72 72 PRO HG2 H 1 2.047 0.002 . 2 . . . . 65 PRO HG2 . 15645 1 803 . 1 1 72 72 PRO HG3 H 1 2.036 0.002 . 2 . . . . 65 PRO HG3 . 15645 1 804 . 1 1 72 72 PRO CA C 13 64.454 0.002 . 1 . . . . 65 PRO CA . 15645 1 805 . 1 1 72 72 PRO CB C 13 32.007 0.002 . 1 . . . . 65 PRO CB . 15645 1 806 . 1 1 72 72 PRO CD C 13 50.757 0.002 . 1 . . . . 65 PRO CD . 15645 1 807 . 1 1 72 72 PRO CG C 13 27.551 0.002 . 1 . . . . 65 PRO CG . 15645 1 808 . 1 1 73 73 GLY H H 1 8.608 0.002 . 1 . . . . 66 GLY HN . 15645 1 809 . 1 1 73 73 GLY HA2 H 1 3.978 0.002 . 2 . . . . 66 GLY QA . 15645 1 810 . 1 1 73 73 GLY HA3 H 1 3.978 0.002 . 2 . . . . 66 GLY QA . 15645 1 811 . 1 1 73 73 GLY C C 13 175.054 0.002 . 1 . . . . 66 GLY C . 15645 1 812 . 1 1 73 73 GLY CA C 13 45.521 0.002 . 1 . . . . 66 GLY CA . 15645 1 813 . 1 1 73 73 GLY N N 15 109.435 0.002 . 1 . . . . 66 GLY N . 15645 1 814 . 1 1 74 74 GLY H H 1 8.085 0.002 . 1 . . . . 67 GLY HN . 15645 1 815 . 1 1 74 74 GLY HA2 H 1 4.132 0.002 . 1 . . . . 67 GLY HA1 . 15645 1 816 . 1 1 74 74 GLY HA3 H 1 3.896 0.002 . 1 . . . . 67 GLY HA2 . 15645 1 817 . 1 1 74 74 GLY C C 13 174.008 0.002 . 1 . . . . 67 GLY C . 15645 1 818 . 1 1 74 74 GLY CA C 13 45.450 0.002 . 1 . . . . 67 GLY CA . 15645 1 819 . 1 1 74 74 GLY N N 15 108.472 0.002 . 1 . . . . 67 GLY N . 15645 1 820 . 1 1 75 75 ASP H H 1 8.307 0.002 . 1 . . . . 68 ASP HN . 15645 1 821 . 1 1 75 75 ASP HA H 1 4.646 0.002 . 1 . . . . 68 ASP HA . 15645 1 822 . 1 1 75 75 ASP HB2 H 1 2.669 0.002 . 2 . . . . 68 ASP QB . 15645 1 823 . 1 1 75 75 ASP HB3 H 1 2.669 0.002 . 2 . . . . 68 ASP QB . 15645 1 824 . 1 1 75 75 ASP C C 13 176.933 0.002 . 1 . . . . 68 ASP C . 15645 1 825 . 1 1 75 75 ASP CA C 13 54.226 0.002 . 1 . . . . 68 ASP CA . 15645 1 826 . 1 1 75 75 ASP CB C 13 41.486 0.002 . 1 . . . . 68 ASP CB . 15645 1 827 . 1 1 75 75 ASP N N 15 119.941 0.002 . 1 . . . . 68 ASP N . 15645 1 828 . 1 1 76 76 GLY H H 1 8.502 0.002 . 1 . . . . 69 GLY HN . 15645 1 829 . 1 1 76 76 GLY HA2 H 1 3.966 0.002 . 1 . . . . 69 GLY HA1 . 15645 1 830 . 1 1 76 76 GLY HA3 H 1 3.951 0.002 . 1 . . . . 69 GLY HA2 . 15645 1 831 . 1 1 76 76 GLY C C 13 174.771 0.002 . 1 . . . . 69 GLY C . 15645 1 832 . 1 1 76 76 GLY CA C 13 45.744 0.002 . 1 . . . . 69 GLY CA . 15645 1 833 . 1 1 76 76 GLY N N 15 109.061 0.002 . 1 . . . . 69 GLY N . 15645 1 834 . 1 1 77 77 GLY H H 1 8.367 0.002 . 1 . . . . 70 GLY HN . 15645 1 835 . 1 1 77 77 GLY HA2 H 1 4.092 0.002 . 1 . . . . 70 GLY HA1 . 15645 1 836 . 1 1 77 77 GLY HA3 H 1 3.920 0.002 . 1 . . . . 70 GLY HA2 . 15645 1 837 . 1 1 77 77 GLY C C 13 174.782 0.002 . 1 . . . . 70 GLY C . 15645 1 838 . 1 1 77 77 GLY CA C 13 45.327 0.002 . 1 . . . . 70 GLY CA . 15645 1 839 . 1 1 77 77 GLY N N 15 108.393 0.002 . 1 . . . . 70 GLY N . 15645 1 840 . 1 1 78 78 GLY H H 1 8.263 0.002 . 1 . . . . 71 GLY HN . 15645 1 841 . 1 1 78 78 GLY HA2 H 1 4.205 0.002 . 1 . . . . 71 GLY HA1 . 15645 1 842 . 1 1 78 78 GLY HA3 H 1 4.092 0.002 . 1 . . . . 71 GLY HA2 . 15645 1 843 . 1 1 78 78 GLY CA C 13 45.581 0.002 . 1 . . . . 71 GLY CA . 15645 1 844 . 1 1 78 78 GLY N N 15 108.388 0.002 . 1 . . . . 71 GLY N . 15645 1 845 . 1 1 79 79 PRO HA H 1 4.199 0.002 . 1 . . . . 72 PRO HA . 15645 1 846 . 1 1 79 79 PRO HB2 H 1 2.311 0.002 . 2 . . . . 72 PRO HB2 . 15645 1 847 . 1 1 79 79 PRO HB3 H 1 1.906 0.002 . 2 . . . . 72 PRO HB3 . 15645 1 848 . 1 1 79 79 PRO HD2 H 1 3.853 0.002 . 2 . . . . 72 PRO HD2 . 15645 1 849 . 1 1 79 79 PRO HD3 H 1 3.699 0.002 . 2 . . . . 72 PRO HD3 . 15645 1 850 . 1 1 79 79 PRO HG2 H 1 2.047 0.002 . 2 . . . . 72 PRO HG2 . 15645 1 851 . 1 1 79 79 PRO HG3 H 1 1.893 0.002 . 2 . . . . 72 PRO HG3 . 15645 1 852 . 1 1 79 79 PRO C C 13 178.000 0.002 . 1 . . . . 72 PRO C . 15645 1 853 . 1 1 79 79 PRO CA C 13 65.568 0.002 . 1 . . . . 72 PRO CA . 15645 1 854 . 1 1 79 79 PRO CB C 13 32.864 0.002 . 1 . . . . 72 PRO CB . 15645 1 855 . 1 1 79 79 PRO CD C 13 50.031 0.002 . 1 . . . . 72 PRO CD . 15645 1 856 . 1 1 79 79 PRO CG C 13 27.558 0.002 . 1 . . . . 72 PRO CG . 15645 1 857 . 1 1 80 80 GLU H H 1 9.283 0.002 . 1 . . . . 73 GLU HN . 15645 1 858 . 1 1 80 80 GLU HA H 1 3.833 0.002 . 1 . . . . 73 GLU HA . 15645 1 859 . 1 1 80 80 GLU HB2 H 1 2.080 0.002 . 2 . . . . 73 GLU HB2 . 15645 1 860 . 1 1 80 80 GLU HB3 H 1 1.969 0.002 . 2 . . . . 73 GLU HB3 . 15645 1 861 . 1 1 80 80 GLU HG2 H 1 2.489 0.002 . 2 . . . . 73 GLU HG2 . 15645 1 862 . 1 1 80 80 GLU HG3 H 1 2.233 0.002 . 2 . . . . 73 GLU HG3 . 15645 1 863 . 1 1 80 80 GLU C C 13 179.587 0.002 . 1 . . . . 73 GLU C . 15645 1 864 . 1 1 80 80 GLU CA C 13 61.125 0.002 . 1 . . . . 73 GLU CA . 15645 1 865 . 1 1 80 80 GLU CB C 13 28.576 0.002 . 1 . . . . 73 GLU CB . 15645 1 866 . 1 1 80 80 GLU CG C 13 37.662 0.002 . 1 . . . . 73 GLU CG . 15645 1 867 . 1 1 80 80 GLU N N 15 117.078 0.002 . 1 . . . . 73 GLU N . 15645 1 868 . 1 1 81 81 GLY H H 1 7.926 0.002 . 1 . . . . 74 GLY HN . 15645 1 869 . 1 1 81 81 GLY HA2 H 1 3.964 0.002 . 1 . . . . 74 GLY HA1 . 15645 1 870 . 1 1 81 81 GLY HA3 H 1 3.914 0.002 . 1 . . . . 74 GLY HA2 . 15645 1 871 . 1 1 81 81 GLY C C 13 176.538 0.002 . 1 . . . . 74 GLY C . 15645 1 872 . 1 1 81 81 GLY CA C 13 47.084 0.002 . 1 . . . . 74 GLY CA . 15645 1 873 . 1 1 81 81 GLY N N 15 108.577 0.002 . 1 . . . . 74 GLY N . 15645 1 874 . 1 1 82 82 ILE H H 1 7.593 0.002 . 1 . . . . 75 ILE HN . 15645 1 875 . 1 1 82 82 ILE HA H 1 3.873 0.002 . 1 . . . . 75 ILE HA . 15645 1 876 . 1 1 82 82 ILE HB H 1 2.042 0.002 . 1 . . . . 75 ILE HB . 15645 1 877 . 1 1 82 82 ILE HD11 H 1 0.769 0.002 . 1 . . . . 75 ILE QD1 . 15645 1 878 . 1 1 82 82 ILE HD12 H 1 0.769 0.002 . 1 . . . . 75 ILE QD1 . 15645 1 879 . 1 1 82 82 ILE HD13 H 1 0.769 0.002 . 1 . . . . 75 ILE QD1 . 15645 1 880 . 1 1 82 82 ILE HG12 H 1 1.704 0.002 . 2 . . . . 75 ILE HG12 . 15645 1 881 . 1 1 82 82 ILE HG13 H 1 0.941 0.002 . 2 . . . . 75 ILE HG13 . 15645 1 882 . 1 1 82 82 ILE HG21 H 1 0.977 0.002 . 1 . . . . 75 ILE QG2 . 15645 1 883 . 1 1 82 82 ILE HG22 H 1 0.977 0.002 . 1 . . . . 75 ILE QG2 . 15645 1 884 . 1 1 82 82 ILE HG23 H 1 0.977 0.002 . 1 . . . . 75 ILE QG2 . 15645 1 885 . 1 1 82 82 ILE C C 13 178.147 0.002 . 1 . . . . 75 ILE C . 15645 1 886 . 1 1 82 82 ILE CA C 13 65.342 0.002 . 1 . . . . 75 ILE CA . 15645 1 887 . 1 1 82 82 ILE CB C 13 38.163 0.002 . 1 . . . . 75 ILE CB . 15645 1 888 . 1 1 82 82 ILE CD1 C 13 15.077 0.002 . 1 . . . . 75 ILE CD1 . 15645 1 889 . 1 1 82 82 ILE CG1 C 13 28.554 0.002 . 1 . . . . 75 ILE CG1 . 15645 1 890 . 1 1 82 82 ILE CG2 C 13 18.207 0.002 . 1 . . . . 75 ILE CG2 . 15645 1 891 . 1 1 82 82 ILE N N 15 123.572 0.002 . 1 . . . . 75 ILE N . 15645 1 892 . 1 1 83 83 VAL H H 1 8.135 0.002 . 1 . . . . 76 VAL HN . 15645 1 893 . 1 1 83 83 VAL HA H 1 3.575 0.002 . 1 . . . . 76 VAL HA . 15645 1 894 . 1 1 83 83 VAL HB H 1 2.179 0.002 . 1 . . . . 76 VAL HB . 15645 1 895 . 1 1 83 83 VAL HG11 H 1 1.180 0.002 . 2 . . . . 76 VAL QG1 . 15645 1 896 . 1 1 83 83 VAL HG12 H 1 1.180 0.002 . 2 . . . . 76 VAL QG1 . 15645 1 897 . 1 1 83 83 VAL HG13 H 1 1.180 0.002 . 2 . . . . 76 VAL QG1 . 15645 1 898 . 1 1 83 83 VAL HG21 H 1 0.925 0.002 . 2 . . . . 76 VAL QG2 . 15645 1 899 . 1 1 83 83 VAL HG22 H 1 0.925 0.002 . 2 . . . . 76 VAL QG2 . 15645 1 900 . 1 1 83 83 VAL HG23 H 1 0.925 0.002 . 2 . . . . 76 VAL QG2 . 15645 1 901 . 1 1 83 83 VAL C C 13 177.094 0.002 . 1 . . . . 76 VAL C . 15645 1 902 . 1 1 83 83 VAL CA C 13 68.153 0.002 . 1 . . . . 76 VAL CA . 15645 1 903 . 1 1 83 83 VAL CB C 13 31.653 0.002 . 1 . . . . 76 VAL CB . 15645 1 904 . 1 1 83 83 VAL CG1 C 13 25.088 0.002 . 2 . . . . 76 VAL CG1 . 15645 1 905 . 1 1 83 83 VAL CG2 C 13 22.026 0.002 . 2 . . . . 76 VAL CG2 . 15645 1 906 . 1 1 83 83 VAL N N 15 118.553 0.002 . 1 . . . . 76 VAL N . 15645 1 907 . 1 1 84 84 LYS H H 1 7.803 0.002 . 1 . . . . 77 LYS HN . 15645 1 908 . 1 1 84 84 LYS HA H 1 4.006 0.002 . 1 . . . . 77 LYS HA . 15645 1 909 . 1 1 84 84 LYS HB2 H 1 2.004 0.002 . 2 . . . . 77 LYS QB . 15645 1 910 . 1 1 84 84 LYS HB3 H 1 2.004 0.002 . 2 . . . . 77 LYS QB . 15645 1 911 . 1 1 84 84 LYS HD2 H 1 1.728 0.002 . 2 . . . . 77 LYS QD . 15645 1 912 . 1 1 84 84 LYS HD3 H 1 1.728 0.002 . 2 . . . . 77 LYS QD . 15645 1 913 . 1 1 84 84 LYS HE2 H 1 3.020 0.002 . 2 . . . . 77 LYS QE . 15645 1 914 . 1 1 84 84 LYS HE3 H 1 3.020 0.002 . 2 . . . . 77 LYS QE . 15645 1 915 . 1 1 84 84 LYS HG2 H 1 1.554 0.002 . 2 . . . . 77 LYS HG2 . 15645 1 916 . 1 1 84 84 LYS HG3 H 1 1.425 0.002 . 2 . . . . 77 LYS HG3 . 15645 1 917 . 1 1 84 84 LYS C C 13 178.064 0.002 . 1 . . . . 77 LYS C . 15645 1 918 . 1 1 84 84 LYS CA C 13 60.516 0.002 . 1 . . . . 77 LYS CA . 15645 1 919 . 1 1 84 84 LYS CB C 13 32.849 0.002 . 1 . . . . 77 LYS CB . 15645 1 920 . 1 1 84 84 LYS CD C 13 29.738 0.002 . 1 . . . . 77 LYS CD . 15645 1 921 . 1 1 84 84 LYS CE C 13 42.169 0.002 . 1 . . . . 77 LYS CE . 15645 1 922 . 1 1 84 84 LYS CG C 13 25.052 0.002 . 1 . . . . 77 LYS CG . 15645 1 923 . 1 1 84 84 LYS N N 15 119.572 0.002 . 1 . . . . 77 LYS N . 15645 1 924 . 1 1 85 85 GLU H H 1 7.629 0.002 . 1 . . . . 78 GLU HN . 15645 1 925 . 1 1 85 85 GLU HA H 1 4.246 0.002 . 1 . . . . 78 GLU HA . 15645 1 926 . 1 1 85 85 GLU HB2 H 1 2.236 0.002 . 2 . . . . 78 GLU HB2 . 15645 1 927 . 1 1 85 85 GLU HB3 H 1 2.108 0.002 . 2 . . . . 78 GLU HB3 . 15645 1 928 . 1 1 85 85 GLU HG2 H 1 2.331 0.002 . 2 . . . . 78 GLU QG . 15645 1 929 . 1 1 85 85 GLU HG3 H 1 2.331 0.002 . 2 . . . . 78 GLU QG . 15645 1 930 . 1 1 85 85 GLU C C 13 179.834 0.002 . 1 . . . . 78 GLU C . 15645 1 931 . 1 1 85 85 GLU CA C 13 59.752 0.002 . 1 . . . . 78 GLU CA . 15645 1 932 . 1 1 85 85 GLU CB C 13 29.189 0.002 . 1 . . . . 78 GLU CB . 15645 1 933 . 1 1 85 85 GLU CG C 13 36.141 0.002 . 1 . . . . 78 GLU CG . 15645 1 934 . 1 1 85 85 GLU N N 15 118.366 0.002 . 1 . . . . 78 GLU N . 15645 1 935 . 1 1 86 86 ILE H H 1 8.432 0.002 . 1 . . . . 79 ILE HN . 15645 1 936 . 1 1 86 86 ILE HA H 1 3.781 0.002 . 1 . . . . 79 ILE HA . 15645 1 937 . 1 1 86 86 ILE HB H 1 2.159 0.002 . 1 . . . . 79 ILE HB . 15645 1 938 . 1 1 86 86 ILE HD11 H 1 0.918 0.002 . 1 . . . . 79 ILE QD1 . 15645 1 939 . 1 1 86 86 ILE HD12 H 1 0.918 0.002 . 1 . . . . 79 ILE QD1 . 15645 1 940 . 1 1 86 86 ILE HD13 H 1 0.918 0.002 . 1 . . . . 79 ILE QD1 . 15645 1 941 . 1 1 86 86 ILE HG12 H 1 1.801 0.002 . 2 . . . . 79 ILE HG12 . 15645 1 942 . 1 1 86 86 ILE HG13 H 1 1.159 0.002 . 2 . . . . 79 ILE HG13 . 15645 1 943 . 1 1 86 86 ILE HG21 H 1 0.701 0.002 . 1 . . . . 79 ILE QG2 . 15645 1 944 . 1 1 86 86 ILE HG22 H 1 0.701 0.002 . 1 . . . . 79 ILE QG2 . 15645 1 945 . 1 1 86 86 ILE HG23 H 1 0.701 0.002 . 1 . . . . 79 ILE QG2 . 15645 1 946 . 1 1 86 86 ILE C C 13 177.578 0.002 . 1 . . . . 79 ILE C . 15645 1 947 . 1 1 86 86 ILE CA C 13 65.454 0.002 . 1 . . . . 79 ILE CA . 15645 1 948 . 1 1 86 86 ILE CB C 13 37.940 0.002 . 1 . . . . 79 ILE CB . 15645 1 949 . 1 1 86 86 ILE CD1 C 13 14.953 0.002 . 1 . . . . 79 ILE CD1 . 15645 1 950 . 1 1 86 86 ILE CG1 C 13 29.175 0.002 . 1 . . . . 79 ILE CG1 . 15645 1 951 . 1 1 86 86 ILE CG2 C 13 17.945 0.002 . 1 . . . . 79 ILE CG2 . 15645 1 952 . 1 1 86 86 ILE N N 15 118.975 0.002 . 1 . . . . 79 ILE N . 15645 1 953 . 1 1 87 87 LYS H H 1 9.096 0.002 . 1 . . . . 80 LYS HN . 15645 1 954 . 1 1 87 87 LYS HA H 1 3.958 0.002 . 1 . . . . 80 LYS HA . 15645 1 955 . 1 1 87 87 LYS HB2 H 1 2.092 0.002 . 2 . . . . 80 LYS QB . 15645 1 956 . 1 1 87 87 LYS HB3 H 1 2.092 0.002 . 2 . . . . 80 LYS QB . 15645 1 957 . 1 1 87 87 LYS HD2 H 1 1.789 0.002 . 2 . . . . 80 LYS QD . 15645 1 958 . 1 1 87 87 LYS HD3 H 1 1.789 0.002 . 2 . . . . 80 LYS QD . 15645 1 959 . 1 1 87 87 LYS HE2 H 1 3.021 0.002 . 2 . . . . 80 LYS HE2 . 15645 1 960 . 1 1 87 87 LYS HE3 H 1 3.005 0.002 . 2 . . . . 80 LYS HE3 . 15645 1 961 . 1 1 87 87 LYS HG2 H 1 1.847 0.002 . 2 . . . . 80 LYS HG2 . 15645 1 962 . 1 1 87 87 LYS HG3 H 1 1.621 0.002 . 2 . . . . 80 LYS HG3 . 15645 1 963 . 1 1 87 87 LYS C C 13 180.285 0.002 . 1 . . . . 80 LYS C . 15645 1 964 . 1 1 87 87 LYS CA C 13 60.290 0.002 . 1 . . . . 80 LYS CA . 15645 1 965 . 1 1 87 87 LYS CB C 13 33.299 0.002 . 1 . . . . 80 LYS CB . 15645 1 966 . 1 1 87 87 LYS CD C 13 30.327 0.002 . 1 . . . . 80 LYS CD . 15645 1 967 . 1 1 87 87 LYS CE C 13 41.808 0.002 . 1 . . . . 80 LYS CE . 15645 1 968 . 1 1 87 87 LYS CG C 13 25.511 0.002 . 1 . . . . 80 LYS CG . 15645 1 969 . 1 1 87 87 LYS N N 15 119.805 0.002 . 1 . . . . 80 LYS N . 15645 1 970 . 1 1 88 88 GLU H H 1 8.508 0.002 . 1 . . . . 81 GLU HN . 15645 1 971 . 1 1 88 88 GLU HA H 1 4.099 0.002 . 1 . . . . 81 GLU HA . 15645 1 972 . 1 1 88 88 GLU HB2 H 1 2.218 0.002 . 2 . . . . 81 GLU HB2 . 15645 1 973 . 1 1 88 88 GLU HB3 H 1 2.148 0.002 . 2 . . . . 81 GLU HB3 . 15645 1 974 . 1 1 88 88 GLU HG2 H 1 2.615 0.002 . 2 . . . . 81 GLU HG2 . 15645 1 975 . 1 1 88 88 GLU HG3 H 1 2.347 0.002 . 2 . . . . 81 GLU HG3 . 15645 1 976 . 1 1 88 88 GLU C C 13 179.195 0.002 . 1 . . . . 81 GLU C . 15645 1 977 . 1 1 88 88 GLU CA C 13 59.632 0.002 . 1 . . . . 81 GLU CA . 15645 1 978 . 1 1 88 88 GLU CB C 13 29.649 0.002 . 1 . . . . 81 GLU CB . 15645 1 979 . 1 1 88 88 GLU CG C 13 37.057 0.002 . 1 . . . . 81 GLU CG . 15645 1 980 . 1 1 88 88 GLU N N 15 118.920 0.002 . 1 . . . . 81 GLU N . 15645 1 981 . 1 1 89 89 TRP H H 1 8.682 0.002 . 1 . . . . 82 TRP HN . 15645 1 982 . 1 1 89 89 TRP HA H 1 4.201 0.002 . 1 . . . . 82 TRP HA . 15645 1 983 . 1 1 89 89 TRP HB2 H 1 3.638 0.002 . 2 . . . . 82 TRP HB2 . 15645 1 984 . 1 1 89 89 TRP HB3 H 1 3.425 0.002 . 2 . . . . 82 TRP HB3 . 15645 1 985 . 1 1 89 89 TRP HD1 H 1 7.185 0.002 . 1 . . . . 82 TRP HD1 . 15645 1 986 . 1 1 89 89 TRP HE1 H 1 10.034 0.002 . 1 . . . . 82 TRP HE1 . 15645 1 987 . 1 1 89 89 TRP HE3 H 1 7.268 0.002 . 1 . . . . 82 TRP HE3 . 15645 1 988 . 1 1 89 89 TRP HH2 H 1 6.998 0.002 . 1 . . . . 82 TRP HH2 . 15645 1 989 . 1 1 89 89 TRP HZ2 H 1 7.229 0.002 . 1 . . . . 82 TRP HZ2 . 15645 1 990 . 1 1 89 89 TRP HZ3 H 1 6.890 0.002 . 1 . . . . 82 TRP HZ3 . 15645 1 991 . 1 1 89 89 TRP C C 13 179.807 0.002 . 1 . . . . 82 TRP C . 15645 1 992 . 1 1 89 89 TRP CA C 13 63.110 0.002 . 1 . . . . 82 TRP CA . 15645 1 993 . 1 1 89 89 TRP CB C 13 29.285 0.002 . 1 . . . . 82 TRP CB . 15645 1 994 . 1 1 89 89 TRP CD1 C 13 125.824 0.002 . 1 . . . . 82 TRP CD1 . 15645 1 995 . 1 1 89 89 TRP CE3 C 13 117.879 0.002 . 1 . . . . 82 TRP CE3 . 15645 1 996 . 1 1 89 89 TRP CH2 C 13 123.504 0.002 . 1 . . . . 82 TRP CH2 . 15645 1 997 . 1 1 89 89 TRP CZ2 C 13 113.831 0.002 . 1 . . . . 82 TRP CZ2 . 15645 1 998 . 1 1 89 89 TRP CZ3 C 13 120.289 0.002 . 1 . . . . 82 TRP CZ3 . 15645 1 999 . 1 1 89 89 TRP N N 15 122.152 0.002 . 1 . . . . 82 TRP N . 15645 1 1000 . 1 1 89 89 TRP NE1 N 15 130.571 0.002 . 1 . . . . 82 TRP NE1 . 15645 1 1001 . 1 1 90 90 ARG H H 1 9.025 0.002 . 1 . . . . 83 ARG HN . 15645 1 1002 . 1 1 90 90 ARG HA H 1 3.295 0.002 . 1 . . . . 83 ARG HA . 15645 1 1003 . 1 1 90 90 ARG HB2 H 1 1.828 0.002 . 2 . . . . 83 ARG HB2 . 15645 1 1004 . 1 1 90 90 ARG HB3 H 1 1.610 0.002 . 2 . . . . 83 ARG HB3 . 15645 1 1005 . 1 1 90 90 ARG HD2 H 1 3.294 0.002 . 2 . . . . 83 ARG HD2 . 15645 1 1006 . 1 1 90 90 ARG HD3 H 1 3.005 0.002 . 2 . . . . 83 ARG HD3 . 15645 1 1007 . 1 1 90 90 ARG HG2 H 1 2.228 0.002 . 2 . . . . 83 ARG HG2 . 15645 1 1008 . 1 1 90 90 ARG HG3 H 1 1.895 0.002 . 2 . . . . 83 ARG HG3 . 15645 1 1009 . 1 1 90 90 ARG C C 13 178.120 0.002 . 1 . . . . 83 ARG C . 15645 1 1010 . 1 1 90 90 ARG CA C 13 60.895 0.002 . 1 . . . . 83 ARG CA . 15645 1 1011 . 1 1 90 90 ARG CB C 13 28.668 0.002 . 1 . . . . 83 ARG CB . 15645 1 1012 . 1 1 90 90 ARG CD C 13 42.247 0.002 . 1 . . . . 83 ARG CD . 15645 1 1013 . 1 1 90 90 ARG CG C 13 29.655 0.002 . 1 . . . . 83 ARG CG . 15645 1 1014 . 1 1 90 90 ARG N N 15 118.380 0.002 . 1 . . . . 83 ARG N . 15645 1 1015 . 1 1 91 91 ALA H H 1 7.759 0.002 . 1 . . . . 84 ALA HN . 15645 1 1016 . 1 1 91 91 ALA HA H 1 4.151 0.002 . 1 . . . . 84 ALA HA . 15645 1 1017 . 1 1 91 91 ALA HB1 H 1 1.471 0.002 . 1 . . . . 84 ALA QB . 15645 1 1018 . 1 1 91 91 ALA HB2 H 1 1.471 0.002 . 1 . . . . 84 ALA QB . 15645 1 1019 . 1 1 91 91 ALA HB3 H 1 1.471 0.002 . 1 . . . . 84 ALA QB . 15645 1 1020 . 1 1 91 91 ALA C C 13 181.466 0.002 . 1 . . . . 84 ALA C . 15645 1 1021 . 1 1 91 91 ALA CA C 13 55.217 0.002 . 1 . . . . 84 ALA CA . 15645 1 1022 . 1 1 91 91 ALA CB C 13 18.175 0.002 . 1 . . . . 84 ALA CB . 15645 1 1023 . 1 1 91 91 ALA N N 15 120.210 0.002 . 1 . . . . 84 ALA N . 15645 1 1024 . 1 1 92 92 ALA H H 1 7.943 0.002 . 1 . . . . 85 ALA HN . 15645 1 1025 . 1 1 92 92 ALA HA H 1 4.081 0.002 . 1 . . . . 85 ALA HA . 15645 1 1026 . 1 1 92 92 ALA HB1 H 1 1.360 0.002 . 1 . . . . 85 ALA QB . 15645 1 1027 . 1 1 92 92 ALA HB2 H 1 1.360 0.002 . 1 . . . . 85 ALA QB . 15645 1 1028 . 1 1 92 92 ALA HB3 H 1 1.360 0.002 . 1 . . . . 85 ALA QB . 15645 1 1029 . 1 1 92 92 ALA C C 13 178.324 0.002 . 1 . . . . 85 ALA C . 15645 1 1030 . 1 1 92 92 ALA CA C 13 54.244 0.002 . 1 . . . . 85 ALA CA . 15645 1 1031 . 1 1 92 92 ALA CB C 13 18.306 0.002 . 1 . . . . 85 ALA CB . 15645 1 1032 . 1 1 92 92 ALA N N 15 120.470 0.002 . 1 . . . . 85 ALA N . 15645 1 1033 . 1 1 93 93 ASN H H 1 7.005 0.002 . 1 . . . . 86 ASN HN . 15645 1 1034 . 1 1 93 93 ASN HA H 1 4.475 0.002 . 1 . . . . 86 ASN HA . 15645 1 1035 . 1 1 93 93 ASN HB2 H 1 2.271 0.002 . 2 . . . . 86 ASN HB2 . 15645 1 1036 . 1 1 93 93 ASN HB3 H 1 1.301 0.002 . 2 . . . . 86 ASN HB3 . 15645 1 1037 . 1 1 93 93 ASN HD21 H 1 7.664 0.002 . 2 . . . . 86 ASN HD21 . 15645 1 1038 . 1 1 93 93 ASN HD22 H 1 6.459 0.002 . 2 . . . . 86 ASN HD22 . 15645 1 1039 . 1 1 93 93 ASN C C 13 174.108 0.002 . 1 . . . . 86 ASN C . 15645 1 1040 . 1 1 93 93 ASN CA C 13 53.347 0.002 . 1 . . . . 86 ASN CA . 15645 1 1041 . 1 1 93 93 ASN CB C 13 39.379 0.002 . 1 . . . . 86 ASN CB . 15645 1 1042 . 1 1 93 93 ASN CG C 13 176.257 0.002 . 1 . . . . 86 ASN CG . 15645 1 1043 . 1 1 93 93 ASN N N 15 113.372 0.002 . 1 . . . . 86 ASN N . 15645 1 1044 . 1 1 93 93 ASN ND2 N 15 111.882 0.002 . 1 . . . . 86 ASN ND2 . 15645 1 1045 . 1 1 94 94 GLY H H 1 7.535 0.002 . 1 . . . . 87 GLY HN . 15645 1 1046 . 1 1 94 94 GLY HA2 H 1 3.810 0.002 . 2 . . . . 87 GLY QA . 15645 1 1047 . 1 1 94 94 GLY HA3 H 1 3.810 0.002 . 2 . . . . 87 GLY QA . 15645 1 1048 . 1 1 94 94 GLY C C 13 174.481 0.002 . 1 . . . . 87 GLY C . 15645 1 1049 . 1 1 94 94 GLY CA C 13 47.230 0.002 . 1 . . . . 87 GLY CA . 15645 1 1050 . 1 1 94 94 GLY N N 15 108.152 0.002 . 1 . . . . 87 GLY N . 15645 1 1051 . 1 1 95 95 LYS H H 1 8.037 0.002 . 1 . . . . 88 LYS HN . 15645 1 1052 . 1 1 95 95 LYS HA H 1 4.654 0.002 . 1 . . . . 88 LYS HA . 15645 1 1053 . 1 1 95 95 LYS HB2 H 1 1.822 0.002 . 2 . . . . 88 LYS HB2 . 15645 1 1054 . 1 1 95 95 LYS HB3 H 1 1.252 0.002 . 2 . . . . 88 LYS HB3 . 15645 1 1055 . 1 1 95 95 LYS HD2 H 1 1.622 0.002 . 2 . . . . 88 LYS HD2 . 15645 1 1056 . 1 1 95 95 LYS HD3 H 1 1.417 0.002 . 2 . . . . 88 LYS HD3 . 15645 1 1057 . 1 1 95 95 LYS HE2 H 1 3.086 0.002 . 2 . . . . 88 LYS HE2 . 15645 1 1058 . 1 1 95 95 LYS HE3 H 1 2.837 0.002 . 2 . . . . 88 LYS HE3 . 15645 1 1059 . 1 1 95 95 LYS HG2 H 1 1.277 0.002 . 2 . . . . 88 LYS HG2 . 15645 1 1060 . 1 1 95 95 LYS HG3 H 1 1.124 0.002 . 2 . . . . 88 LYS HG3 . 15645 1 1061 . 1 1 95 95 LYS CA C 13 53.357 0.002 . 1 . . . . 88 LYS CA . 15645 1 1062 . 1 1 95 95 LYS CB C 13 32.741 0.002 . 1 . . . . 88 LYS CB . 15645 1 1063 . 1 1 95 95 LYS CD C 13 29.277 0.002 . 1 . . . . 88 LYS CD . 15645 1 1064 . 1 1 95 95 LYS CE C 13 42.352 0.002 . 1 . . . . 88 LYS CE . 15645 1 1065 . 1 1 95 95 LYS CG C 13 25.093 0.002 . 1 . . . . 88 LYS CG . 15645 1 1066 . 1 1 95 95 LYS N N 15 119.147 0.002 . 1 . . . . 88 LYS N . 15645 1 1067 . 1 1 96 96 PRO HA H 1 4.275 0.002 . 1 . . . . 89 PRO HA . 15645 1 1068 . 1 1 96 96 PRO HB2 H 1 2.341 0.002 . 2 . . . . 89 PRO HB2 . 15645 1 1069 . 1 1 96 96 PRO HB3 H 1 1.825 0.002 . 2 . . . . 89 PRO HB3 . 15645 1 1070 . 1 1 96 96 PRO HD2 H 1 3.836 0.002 . 2 . . . . 89 PRO HD2 . 15645 1 1071 . 1 1 96 96 PRO HD3 H 1 3.517 0.002 . 2 . . . . 89 PRO HD3 . 15645 1 1072 . 1 1 96 96 PRO HG2 H 1 2.023 0.002 . 2 . . . . 89 PRO HG2 . 15645 1 1073 . 1 1 96 96 PRO HG3 H 1 1.940 0.002 . 2 . . . . 89 PRO HG3 . 15645 1 1074 . 1 1 96 96 PRO C C 13 176.696 0.002 . 1 . . . . 89 PRO C . 15645 1 1075 . 1 1 96 96 PRO CA C 13 63.482 0.002 . 1 . . . . 89 PRO CA . 15645 1 1076 . 1 1 96 96 PRO CB C 13 32.981 0.002 . 1 . . . . 89 PRO CB . 15645 1 1077 . 1 1 96 96 PRO CD C 13 50.645 0.002 . 1 . . . . 89 PRO CD . 15645 1 1078 . 1 1 96 96 PRO CG C 13 27.723 0.002 . 1 . . . . 89 PRO CG . 15645 1 1079 . 1 1 97 97 GLY H H 1 8.336 0.002 . 1 . . . . 90 GLY HN . 15645 1 1080 . 1 1 97 97 GLY HA2 H 1 4.074 0.002 . 1 . . . . 90 GLY HA1 . 15645 1 1081 . 1 1 97 97 GLY HA3 H 1 3.615 0.002 . 1 . . . . 90 GLY HA2 . 15645 1 1082 . 1 1 97 97 GLY C C 13 173.388 0.002 . 1 . . . . 90 GLY C . 15645 1 1083 . 1 1 97 97 GLY CA C 13 43.347 0.002 . 1 . . . . 90 GLY CA . 15645 1 1084 . 1 1 97 97 GLY N N 15 110.343 0.002 . 1 . . . . 90 GLY N . 15645 1 1085 . 1 1 98 98 PHE H H 1 7.749 0.002 . 1 . . . . 91 PHE HN . 15645 1 1086 . 1 1 98 98 PHE HA H 1 4.527 0.002 . 1 . . . . 91 PHE HA . 15645 1 1087 . 1 1 98 98 PHE HB2 H 1 3.543 0.002 . 2 . . . . 91 PHE HB2 . 15645 1 1088 . 1 1 98 98 PHE HB3 H 1 2.649 0.002 . 2 . . . . 91 PHE HB3 . 15645 1 1089 . 1 1 98 98 PHE HD1 H 1 7.416 0.002 . 3 . . . . 91 PHE QD . 15645 1 1090 . 1 1 98 98 PHE HD2 H 1 7.416 0.002 . 3 . . . . 91 PHE QD . 15645 1 1091 . 1 1 98 98 PHE HE1 H 1 6.632 0.002 . 3 . . . . 91 PHE QE . 15645 1 1092 . 1 1 98 98 PHE HE2 H 1 6.632 0.002 . 3 . . . . 91 PHE QE . 15645 1 1093 . 1 1 98 98 PHE HZ H 1 6.213 0.002 . 1 . . . . 91 PHE HZ . 15645 1 1094 . 1 1 98 98 PHE C C 13 177.021 0.002 . 1 . . . . 91 PHE C . 15645 1 1095 . 1 1 98 98 PHE CA C 13 59.184 0.002 . 1 . . . . 91 PHE CA . 15645 1 1096 . 1 1 98 98 PHE CB C 13 40.005 0.002 . 1 . . . . 91 PHE CB . 15645 1 1097 . 1 1 98 98 PHE CD1 C 13 131.311 0.002 . 3 . . . . 91 PHE CD1 . 15645 1 1098 . 1 1 98 98 PHE CD2 C 13 131.311 0.002 . 3 . . . . 91 PHE CD2 . 15645 1 1099 . 1 1 98 98 PHE CE1 C 13 129.615 0.002 . 3 . . . . 91 PHE CE1 . 15645 1 1100 . 1 1 98 98 PHE CE2 C 13 129.615 0.002 . 3 . . . . 91 PHE CE2 . 15645 1 1101 . 1 1 98 98 PHE CZ C 13 126.968 0.002 . 1 . . . . 91 PHE CZ . 15645 1 1102 . 1 1 98 98 PHE N N 15 116.151 0.002 . 1 . . . . 91 PHE N . 15645 1 1103 . 1 1 99 99 LYS H H 1 8.531 0.002 . 1 . . . . 92 LYS HN . 15645 1 1104 . 1 1 99 99 LYS HA H 1 4.178 0.002 . 1 . . . . 92 LYS HA . 15645 1 1105 . 1 1 99 99 LYS HB2 H 1 1.865 0.002 . 2 . . . . 92 LYS HB2 . 15645 1 1106 . 1 1 99 99 LYS HB3 H 1 1.469 0.002 . 2 . . . . 92 LYS HB3 . 15645 1 1107 . 1 1 99 99 LYS HD2 H 1 1.673 0.002 . 2 . . . . 92 LYS QD . 15645 1 1108 . 1 1 99 99 LYS HD3 H 1 1.673 0.002 . 2 . . . . 92 LYS QD . 15645 1 1109 . 1 1 99 99 LYS HE2 H 1 2.962 0.002 . 2 . . . . 92 LYS QE . 15645 1 1110 . 1 1 99 99 LYS HE3 H 1 2.962 0.002 . 2 . . . . 92 LYS QE . 15645 1 1111 . 1 1 99 99 LYS HG2 H 1 1.442 0.002 . 2 . . . . 92 LYS HG2 . 15645 1 1112 . 1 1 99 99 LYS HG3 H 1 1.432 0.002 . 2 . . . . 92 LYS HG3 . 15645 1 1113 . 1 1 99 99 LYS C C 13 176.542 0.002 . 1 . . . . 92 LYS C . 15645 1 1114 . 1 1 99 99 LYS CA C 13 57.292 0.002 . 1 . . . . 92 LYS CA . 15645 1 1115 . 1 1 99 99 LYS CB C 13 32.875 0.002 . 1 . . . . 92 LYS CB . 15645 1 1116 . 1 1 99 99 LYS CD C 13 29.904 0.002 . 1 . . . . 92 LYS CD . 15645 1 1117 . 1 1 99 99 LYS CE C 13 42.115 0.002 . 1 . . . . 92 LYS CE . 15645 1 1118 . 1 1 99 99 LYS CG C 13 24.728 0.002 . 1 . . . . 92 LYS CG . 15645 1 1119 . 1 1 99 99 LYS N N 15 123.602 0.002 . 1 . . . . 92 LYS N . 15645 1 1120 . 1 1 100 100 GLN H H 1 8.633 0.002 . 1 . . . . 93 GLN HN . 15645 1 1121 . 1 1 100 100 GLN HA H 1 4.297 0.002 . 1 . . . . 93 GLN HA . 15645 1 1122 . 1 1 100 100 GLN HB2 H 1 2.161 0.002 . 2 . . . . 93 GLN HB2 . 15645 1 1123 . 1 1 100 100 GLN HB3 H 1 2.050 0.002 . 2 . . . . 93 GLN HB3 . 15645 1 1124 . 1 1 100 100 GLN HE21 H 1 7.561 0.002 . 2 . . . . 93 GLN HE21 . 15645 1 1125 . 1 1 100 100 GLN HE22 H 1 6.950 0.002 . 2 . . . . 93 GLN HE22 . 15645 1 1126 . 1 1 100 100 GLN HG2 H 1 2.472 0.002 . 2 . . . . 93 GLN QG . 15645 1 1127 . 1 1 100 100 GLN HG3 H 1 2.472 0.002 . 2 . . . . 93 GLN QG . 15645 1 1128 . 1 1 100 100 GLN C C 13 175.318 0.002 . 1 . . . . 93 GLN C . 15645 1 1129 . 1 1 100 100 GLN CA C 13 56.479 0.002 . 1 . . . . 93 GLN CA . 15645 1 1130 . 1 1 100 100 GLN CB C 13 29.751 0.002 . 1 . . . . 93 GLN CB . 15645 1 1131 . 1 1 100 100 GLN CD C 13 180.725 0.002 . 1 . . . . 93 GLN CD . 15645 1 1132 . 1 1 100 100 GLN CG C 13 34.192 0.002 . 1 . . . . 93 GLN CG . 15645 1 1133 . 1 1 100 100 GLN N N 15 125.089 0.002 . 1 . . . . 93 GLN N . 15645 1 1134 . 1 1 100 100 GLN NE2 N 15 113.044 0.002 . 1 . . . . 93 GLN NE2 . 15645 1 1135 . 1 1 101 101 GLY H H 1 8.022 0.002 . 1 . . . . 94 GLY HN . 15645 1 1136 . 1 1 101 101 GLY HA2 H 1 3.827 0.002 . 1 . . . . 94 GLY HA1 . 15645 1 1137 . 1 1 101 101 GLY HA3 H 1 3.784 0.002 . 1 . . . . 94 GLY HA2 . 15645 1 1138 . 1 1 101 101 GLY CA C 13 46.253 0.002 . 1 . . . . 94 GLY CA . 15645 1 1139 . 1 1 101 101 GLY N N 15 116.665 0.002 . 1 . . . . 94 GLY N . 15645 1 stop_ save_