data_15347 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15347 _Entry.Title ; Chemical Shift Assignments for protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Target NeT6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 John Cort . R. . 15347 2 Adelinda Yee . . . 15347 3 Cheryl Arrowsmith . H. . 15347 4 Michael Kennedy . A. . 15347 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15347 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15347 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 15347 '15N chemical shifts' 83 15347 '1H chemical shifts' 517 15347 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-04-19 2007-06-29 update BMRB 'add related PDB ID' 15347 2 . . 2008-09-25 2007-06-29 update author 'Update the chemical shifts' 15347 1 . . 2007-07-25 2007-06-29 original author 'original release' 15347 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K8S 'BMRB Entry Tracking System' 15347 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15347 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Chemical Shift Assignments of protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Consortium Target NeT6' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 15347 1 2 Adelinda Yee . . . 15347 1 3 Cheryl Arrowsmith . H. . 15347 1 4 Michael Kennedy . A. . 15347 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15347 _Assembly.ID 1 _Assembly.Name NE0084 _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 NE0084 1 $NE0084 A . yes native no no . . . 15347 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NE0084 _Entity.Sf_category entity _Entity.Sf_framecode NE0084 _Entity.Entry_ID 15347 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NE0084 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHGRENLYFQGH MVASKAIFYHAGCPVCVSAE QAVANAIDPSKYTVEIVHLG TDKARIAEAEKAGVKSVPAL VIDGAAFHINFGAGIDDLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The 22nd residue in the complete sequence corresponds to residue 1 of the natural protein. The chemical shift assignments begin with this residue.' _Entity.Polymer_author_seq_details 'Residue 1 is mutated from M to V, due to a cloning arifact.' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'residue 1 M changed to V' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K8S . "Solution Nmr Structure Of Dimeric Thioredoxin-Like Protein Ne0084 From Nitrosomonas Europea: Northeast Structural Genomics Targ" . . . . . 78.79 80 100.00 100.00 1.90e-46 . . . . 15347 1 2 no EMBL CAD83995 . "Thioredoxin [Nitrosomonas europaea ATCC 19718]" . . . . . 78.79 78 98.72 100.00 5.06e-46 . . . . 15347 1 3 no REF WP_011110736 . "thioredoxin [Nitrosomonas europaea]" . . . . . 78.79 78 98.72 100.00 5.06e-46 . . . . 15347 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID thioredoxin-like 15347 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 -20 MET . 15347 1 2 -19 GLY . 15347 1 3 -18 SER . 15347 1 4 -17 SER . 15347 1 5 -16 HIS . 15347 1 6 -15 HIS . 15347 1 7 -14 HIS . 15347 1 8 -13 HIS . 15347 1 9 -12 HIS . 15347 1 10 -11 HIS . 15347 1 11 -10 GLY . 15347 1 12 -9 ARG . 15347 1 13 -8 GLU . 15347 1 14 -7 ASN . 15347 1 15 -6 LEU . 15347 1 16 -5 TYR . 15347 1 17 -4 PHE . 15347 1 18 -3 GLN . 15347 1 19 -2 GLY . 15347 1 20 -1 HIS . 15347 1 21 0 MET . 15347 1 22 1 VAL . 15347 1 23 2 ALA . 15347 1 24 3 SER . 15347 1 25 4 LYS . 15347 1 26 5 ALA . 15347 1 27 6 ILE . 15347 1 28 7 PHE . 15347 1 29 8 TYR . 15347 1 30 9 HIS . 15347 1 31 10 ALA . 15347 1 32 11 GLY . 15347 1 33 12 CYS . 15347 1 34 13 PRO . 15347 1 35 14 VAL . 15347 1 36 15 CYS . 15347 1 37 16 VAL . 15347 1 38 17 SER . 15347 1 39 18 ALA . 15347 1 40 19 GLU . 15347 1 41 20 GLN . 15347 1 42 21 ALA . 15347 1 43 22 VAL . 15347 1 44 23 ALA . 15347 1 45 24 ASN . 15347 1 46 25 ALA . 15347 1 47 26 ILE . 15347 1 48 27 ASP . 15347 1 49 28 PRO . 15347 1 50 29 SER . 15347 1 51 30 LYS . 15347 1 52 31 TYR . 15347 1 53 32 THR . 15347 1 54 33 VAL . 15347 1 55 34 GLU . 15347 1 56 35 ILE . 15347 1 57 36 VAL . 15347 1 58 37 HIS . 15347 1 59 38 LEU . 15347 1 60 39 GLY . 15347 1 61 40 THR . 15347 1 62 41 ASP . 15347 1 63 42 LYS . 15347 1 64 43 ALA . 15347 1 65 44 ARG . 15347 1 66 45 ILE . 15347 1 67 46 ALA . 15347 1 68 47 GLU . 15347 1 69 48 ALA . 15347 1 70 49 GLU . 15347 1 71 50 LYS . 15347 1 72 51 ALA . 15347 1 73 52 GLY . 15347 1 74 53 VAL . 15347 1 75 54 LYS . 15347 1 76 55 SER . 15347 1 77 56 VAL . 15347 1 78 57 PRO . 15347 1 79 58 ALA . 15347 1 80 59 LEU . 15347 1 81 60 VAL . 15347 1 82 61 ILE . 15347 1 83 62 ASP . 15347 1 84 63 GLY . 15347 1 85 64 ALA . 15347 1 86 65 ALA . 15347 1 87 66 PHE . 15347 1 88 67 HIS . 15347 1 89 68 ILE . 15347 1 90 69 ASN . 15347 1 91 70 PHE . 15347 1 92 71 GLY . 15347 1 93 72 ALA . 15347 1 94 73 GLY . 15347 1 95 74 ILE . 15347 1 96 75 ASP . 15347 1 97 76 ASP . 15347 1 98 77 LEU . 15347 1 99 78 LYS . 15347 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 15347 1 . GLY 2 2 15347 1 . SER 3 3 15347 1 . SER 4 4 15347 1 . HIS 5 5 15347 1 . HIS 6 6 15347 1 . HIS 7 7 15347 1 . HIS 8 8 15347 1 . HIS 9 9 15347 1 . HIS 10 10 15347 1 . GLY 11 11 15347 1 . ARG 12 12 15347 1 . GLU 13 13 15347 1 . ASN 14 14 15347 1 . LEU 15 15 15347 1 . TYR 16 16 15347 1 . PHE 17 17 15347 1 . GLN 18 18 15347 1 . GLY 19 19 15347 1 . HIS 20 20 15347 1 . MET 21 21 15347 1 . VAL 22 22 15347 1 . ALA 23 23 15347 1 . SER 24 24 15347 1 . LYS 25 25 15347 1 . ALA 26 26 15347 1 . ILE 27 27 15347 1 . PHE 28 28 15347 1 . TYR 29 29 15347 1 . HIS 30 30 15347 1 . ALA 31 31 15347 1 . GLY 32 32 15347 1 . CYS 33 33 15347 1 . PRO 34 34 15347 1 . VAL 35 35 15347 1 . CYS 36 36 15347 1 . VAL 37 37 15347 1 . SER 38 38 15347 1 . ALA 39 39 15347 1 . GLU 40 40 15347 1 . GLN 41 41 15347 1 . ALA 42 42 15347 1 . VAL 43 43 15347 1 . ALA 44 44 15347 1 . ASN 45 45 15347 1 . ALA 46 46 15347 1 . ILE 47 47 15347 1 . ASP 48 48 15347 1 . PRO 49 49 15347 1 . SER 50 50 15347 1 . LYS 51 51 15347 1 . TYR 52 52 15347 1 . THR 53 53 15347 1 . VAL 54 54 15347 1 . GLU 55 55 15347 1 . ILE 56 56 15347 1 . VAL 57 57 15347 1 . HIS 58 58 15347 1 . LEU 59 59 15347 1 . GLY 60 60 15347 1 . THR 61 61 15347 1 . ASP 62 62 15347 1 . LYS 63 63 15347 1 . ALA 64 64 15347 1 . ARG 65 65 15347 1 . ILE 66 66 15347 1 . ALA 67 67 15347 1 . GLU 68 68 15347 1 . ALA 69 69 15347 1 . GLU 70 70 15347 1 . LYS 71 71 15347 1 . ALA 72 72 15347 1 . GLY 73 73 15347 1 . VAL 74 74 15347 1 . LYS 75 75 15347 1 . SER 76 76 15347 1 . VAL 77 77 15347 1 . PRO 78 78 15347 1 . ALA 79 79 15347 1 . LEU 80 80 15347 1 . VAL 81 81 15347 1 . ILE 82 82 15347 1 . ASP 83 83 15347 1 . GLY 84 84 15347 1 . ALA 85 85 15347 1 . ALA 86 86 15347 1 . PHE 87 87 15347 1 . HIS 88 88 15347 1 . ILE 89 89 15347 1 . ASN 90 90 15347 1 . PHE 91 91 15347 1 . GLY 92 92 15347 1 . ALA 93 93 15347 1 . GLY 94 94 15347 1 . ILE 95 95 15347 1 . ASP 96 96 15347 1 . ASP 97 97 15347 1 . LEU 98 98 15347 1 . LYS 99 99 15347 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 15347 _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 $NE0084 . 915 organism . 'Nitrosomonas europea' 'Nitrosomonas europaea' . . Bacteria . Nitrosomonas europea . . . . . . . . . . . . . . . . NE0084 . . . . 15347 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 15347 _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 $NE0084 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . p11 . . . . . . 15347 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15347 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 NE0084 '[U-100% 13C; U-100% 15N]' . . 1 $NE0084 . . 1 . . mM 0.1 . . . 15347 1 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 15347 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15347 1 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 15347 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15347 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15347 _Sample.ID 2 _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 NE0084 '[U-100% 13C; U-100% 15N]' . . 1 $NE0084 . . 1 . . mM 0.1 . . . 15347 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15347 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15347 2 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 15347 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15347 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15347 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'biosynthetic-directed labeled 7% 13C.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 NE0084 '[7% 13C; U-100% 15N]' . . 1 $NE0084 . . 1 . . mM 0.1 . . . 15347 3 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 15347 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 15347 3 4 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 15347 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15347 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 15347 _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' 300 . mM 15347 1 pH 7.0 0.1 pH 15347 1 pressure 1 . atm 15347 1 temperature 293 1 K 15347 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15347 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15347 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15347 1 'peak picking' 15347 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15347 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15347 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15347 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15347 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15347 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15347 3 'structure solution' 15347 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15347 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15347 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15347 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15347 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15347 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15347 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15347 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15347 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15347 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15347 1 2 spectrometer_2 Varian INOVA . 600 . . . 15347 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 15347 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 1 14 '4D 1H-C13-C13-1H HMQC-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15347 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 15347 _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 . . . . . . . . . 15347 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15347 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15347 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 15347 _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 13 '3D HCCH-TOCSY' . . . 15347 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15347 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 22 22 VAL HA H 1 4.08 0.02 . 1 . . . . 1 VAL HA . 15347 1 2 . 1 1 22 22 VAL HB H 1 1.99 0.02 . 1 . . . . 1 VAL HB . 15347 1 3 . 1 1 22 22 VAL C C 13 175.4 0.2 . 1 . . . . 1 VAL C . 15347 1 4 . 1 1 22 22 VAL CA C 13 61.7 0.2 . 1 . . . . 1 VAL CA . 15347 1 5 . 1 1 22 22 VAL CB C 13 32.9 0.2 . 1 . . . . 1 VAL CB . 15347 1 6 . 1 1 23 23 ALA H H 1 8.25 0.02 . 1 . . . . 2 ALA H . 15347 1 7 . 1 1 23 23 ALA HA H 1 4.10 0.02 . 1 . . . . 2 ALA HA . 15347 1 8 . 1 1 23 23 ALA HB1 H 1 1.15 0.02 . 1 . . . . 2 ALA HB . 15347 1 9 . 1 1 23 23 ALA HB2 H 1 1.15 0.02 . 1 . . . . 2 ALA HB . 15347 1 10 . 1 1 23 23 ALA HB3 H 1 1.15 0.02 . 1 . . . . 2 ALA HB . 15347 1 11 . 1 1 23 23 ALA C C 13 177.8 0.2 . 1 . . . . 2 ALA C . 15347 1 12 . 1 1 23 23 ALA CA C 13 52.4 0.2 . 1 . . . . 2 ALA CA . 15347 1 13 . 1 1 23 23 ALA CB C 13 19.2 0.2 . 1 . . . . 2 ALA CB . 15347 1 14 . 1 1 23 23 ALA N N 15 128.0 0.2 . 1 . . . . 2 ALA N . 15347 1 15 . 1 1 24 24 SER H H 1 7.82 0.02 . 1 . . . . 3 SER H . 15347 1 16 . 1 1 24 24 SER HA H 1 4.61 0.02 . 1 . . . . 3 SER HA . 15347 1 17 . 1 1 24 24 SER HB2 H 1 3.89 0.02 . 2 . . . . 3 SER HB2 . 15347 1 18 . 1 1 24 24 SER HB3 H 1 3.98 0.02 . 2 . . . . 3 SER HB3 . 15347 1 19 . 1 1 24 24 SER C C 13 173.1 0.2 . 1 . . . . 3 SER C . 15347 1 20 . 1 1 24 24 SER CA C 13 57.8 0.2 . 1 . . . . 3 SER CA . 15347 1 21 . 1 1 24 24 SER CB C 13 64.3 0.2 . 1 . . . . 3 SER CB . 15347 1 22 . 1 1 24 24 SER N N 15 116.4 0.2 . 1 . . . . 3 SER N . 15347 1 23 . 1 1 25 25 LYS H H 1 8.65 0.02 . 1 . . . . 4 LYS H . 15347 1 24 . 1 1 25 25 LYS HA H 1 4.91 0.02 . 1 . . . . 4 LYS HA . 15347 1 25 . 1 1 25 25 LYS HB2 H 1 1.77 0.02 . 2 . . . . 4 LYS HB2 . 15347 1 26 . 1 1 25 25 LYS HB3 H 1 1.79 0.02 . 2 . . . . 4 LYS HB3 . 15347 1 27 . 1 1 25 25 LYS HD2 H 1 1.64 0.02 . 2 . . . . 4 LYS HD2 . 15347 1 28 . 1 1 25 25 LYS HD3 H 1 1.66 0.02 . 2 . . . . 4 LYS HD3 . 15347 1 29 . 1 1 25 25 LYS HE2 H 1 2.87 0.02 . 2 . . . . 4 LYS HE2 . 15347 1 30 . 1 1 25 25 LYS HE3 H 1 2.91 0.02 . 2 . . . . 4 LYS HE3 . 15347 1 31 . 1 1 25 25 LYS HG2 H 1 1.29 0.02 . 2 . . . . 4 LYS HG2 . 15347 1 32 . 1 1 25 25 LYS HG3 H 1 1.47 0.02 . 2 . . . . 4 LYS HG3 . 15347 1 33 . 1 1 25 25 LYS C C 13 175.8 0.2 . 1 . . . . 4 LYS C . 15347 1 34 . 1 1 25 25 LYS CA C 13 56.3 0.2 . 1 . . . . 4 LYS CA . 15347 1 35 . 1 1 25 25 LYS CB C 13 33.9 0.2 . 1 . . . . 4 LYS CB . 15347 1 36 . 1 1 25 25 LYS CD C 13 28.8 0.2 . 1 . . . . 4 LYS CD . 15347 1 37 . 1 1 25 25 LYS CE C 13 42.0 0.2 . 1 . . . . 4 LYS CE . 15347 1 38 . 1 1 25 25 LYS CG C 13 24.9 0.2 . 1 . . . . 4 LYS CG . 15347 1 39 . 1 1 25 25 LYS N N 15 123.2 0.2 . 1 . . . . 4 LYS N . 15347 1 40 . 1 1 26 26 ALA H H 1 8.75 0.02 . 1 . . . . 5 ALA H . 15347 1 41 . 1 1 26 26 ALA HA H 1 5.00 0.02 . 1 . . . . 5 ALA HA . 15347 1 42 . 1 1 26 26 ALA HB1 H 1 1.04 0.02 . 1 . . . . 5 ALA HB . 15347 1 43 . 1 1 26 26 ALA HB2 H 1 1.04 0.02 . 1 . . . . 5 ALA HB . 15347 1 44 . 1 1 26 26 ALA HB3 H 1 1.04 0.02 . 1 . . . . 5 ALA HB . 15347 1 45 . 1 1 26 26 ALA C C 13 175.0 0.2 . 1 . . . . 5 ALA C . 15347 1 46 . 1 1 26 26 ALA CA C 13 50.2 0.2 . 1 . . . . 5 ALA CA . 15347 1 47 . 1 1 26 26 ALA CB C 13 21.7 0.2 . 1 . . . . 5 ALA CB . 15347 1 48 . 1 1 26 26 ALA N N 15 128.4 0.2 . 1 . . . . 5 ALA N . 15347 1 49 . 1 1 27 27 ILE H H 1 8.45 0.02 . 1 . . . . 6 ILE H . 15347 1 50 . 1 1 27 27 ILE HA H 1 4.71 0.02 . 1 . . . . 6 ILE HA . 15347 1 51 . 1 1 27 27 ILE HB H 1 1.24 0.02 . 1 . . . . 6 ILE HB . 15347 1 52 . 1 1 27 27 ILE HD11 H 1 0.72 0.02 . 1 . . . . 6 ILE HD1 . 15347 1 53 . 1 1 27 27 ILE HD12 H 1 0.72 0.02 . 1 . . . . 6 ILE HD1 . 15347 1 54 . 1 1 27 27 ILE HD13 H 1 0.72 0.02 . 1 . . . . 6 ILE HD1 . 15347 1 55 . 1 1 27 27 ILE HG12 H 1 0.92 0.02 . 2 . . . . 6 ILE HG12 . 15347 1 56 . 1 1 27 27 ILE HG13 H 1 1.38 0.02 . 2 . . . . 6 ILE HG13 . 15347 1 57 . 1 1 27 27 ILE HG21 H 1 -0.06 0.02 . 1 . . . . 6 ILE HG2 . 15347 1 58 . 1 1 27 27 ILE HG22 H 1 -0.06 0.02 . 1 . . . . 6 ILE HG2 . 15347 1 59 . 1 1 27 27 ILE HG23 H 1 -0.06 0.02 . 1 . . . . 6 ILE HG2 . 15347 1 60 . 1 1 27 27 ILE C C 13 173.8 0.2 . 1 . . . . 6 ILE C . 15347 1 61 . 1 1 27 27 ILE CA C 13 60.3 0.2 . 1 . . . . 6 ILE CA . 15347 1 62 . 1 1 27 27 ILE CB C 13 41.3 0.2 . 1 . . . . 6 ILE CB . 15347 1 63 . 1 1 27 27 ILE CD1 C 13 13.8 0.2 . 1 . . . . 6 ILE CD1 . 15347 1 64 . 1 1 27 27 ILE CG1 C 13 27.6 0.2 . 1 . . . . 6 ILE CG1 . 15347 1 65 . 1 1 27 27 ILE CG2 C 13 17.3 0.2 . 1 . . . . 6 ILE CG2 . 15347 1 66 . 1 1 27 27 ILE N N 15 120.4 0.2 . 1 . . . . 6 ILE N . 15347 1 67 . 1 1 28 28 PHE H H 1 9.25 0.02 . 1 . . . . 7 PHE H . 15347 1 68 . 1 1 28 28 PHE HA H 1 5.40 0.02 . 1 . . . . 7 PHE HA . 15347 1 69 . 1 1 28 28 PHE HB2 H 1 2.39 0.02 . 2 . . . . 7 PHE HB2 . 15347 1 70 . 1 1 28 28 PHE HB3 H 1 3.04 0.02 . 2 . . . . 7 PHE HB3 . 15347 1 71 . 1 1 28 28 PHE HD1 H 1 6.99 0.02 . 3 . . . . 7 PHE HD1 . 15347 1 72 . 1 1 28 28 PHE HE1 H 1 6.97 0.02 . 3 . . . . 7 PHE HE1 . 15347 1 73 . 1 1 28 28 PHE HZ H 1 6.76 0.02 . 1 . . . . 7 PHE HZ . 15347 1 74 . 1 1 28 28 PHE C C 13 172.8 0.2 . 1 . . . . 7 PHE C . 15347 1 75 . 1 1 28 28 PHE CA C 13 55.5 0.2 . 1 . . . . 7 PHE CA . 15347 1 76 . 1 1 28 28 PHE CB C 13 40.7 0.2 . 1 . . . . 7 PHE CB . 15347 1 77 . 1 1 28 28 PHE CD1 C 13 132.2 0.2 . 3 . . . . 7 PHE CD1 . 15347 1 78 . 1 1 28 28 PHE CE1 C 13 131.6 0.2 . 3 . . . . 7 PHE CE1 . 15347 1 79 . 1 1 28 28 PHE CZ C 13 130.1 0.2 . 1 . . . . 7 PHE CZ . 15347 1 80 . 1 1 28 28 PHE N N 15 128.5 0.2 . 1 . . . . 7 PHE N . 15347 1 81 . 1 1 29 29 TYR H H 1 8.91 0.02 . 1 . . . . 8 TYR H . 15347 1 82 . 1 1 29 29 TYR HA H 1 5.26 0.02 . 1 . . . . 8 TYR HA . 15347 1 83 . 1 1 29 29 TYR HB2 H 1 2.54 0.02 . 2 . . . . 8 TYR HB2 . 15347 1 84 . 1 1 29 29 TYR HB3 H 1 2.63 0.02 . 2 . . . . 8 TYR HB3 . 15347 1 85 . 1 1 29 29 TYR HD1 H 1 6.73 0.02 . 3 . . . . 8 TYR HD1 . 15347 1 86 . 1 1 29 29 TYR HE1 H 1 6.54 0.02 . 3 . . . . 8 TYR HE1 . 15347 1 87 . 1 1 29 29 TYR C C 13 174.9 0.2 . 1 . . . . 8 TYR C . 15347 1 88 . 1 1 29 29 TYR CA C 13 57.2 0.2 . 1 . . . . 8 TYR CA . 15347 1 89 . 1 1 29 29 TYR CB C 13 40.9 0.2 . 1 . . . . 8 TYR CB . 15347 1 90 . 1 1 29 29 TYR CD1 C 13 133.2 0.2 . 3 . . . . 8 TYR CD1 . 15347 1 91 . 1 1 29 29 TYR CE1 C 13 117.5 0.2 . 3 . . . . 8 TYR CE1 . 15347 1 92 . 1 1 29 29 TYR N N 15 125.9 0.2 . 1 . . . . 8 TYR N . 15347 1 93 . 1 1 30 30 HIS H H 1 9.12 0.02 . 1 . . . . 9 HIS H . 15347 1 94 . 1 1 30 30 HIS HA H 1 4.71 0.02 . 1 . . . . 9 HIS HA . 15347 1 95 . 1 1 30 30 HIS HB2 H 1 2.56 0.02 . 2 . . . . 9 HIS HB2 . 15347 1 96 . 1 1 30 30 HIS HB3 H 1 3.19 0.02 . 2 . . . . 9 HIS HB3 . 15347 1 97 . 1 1 30 30 HIS HD2 H 1 6.73 0.02 . 1 . . . . 9 HIS HD2 . 15347 1 98 . 1 1 30 30 HIS HE1 H 1 7.47 0.02 . 1 . . . . 9 HIS HE1 . 15347 1 99 . 1 1 30 30 HIS C C 13 171.1 0.2 . 1 . . . . 9 HIS C . 15347 1 100 . 1 1 30 30 HIS CA C 13 54.9 0.2 . 1 . . . . 9 HIS CA . 15347 1 101 . 1 1 30 30 HIS CB C 13 35.2 0.2 . 1 . . . . 9 HIS CB . 15347 1 102 . 1 1 30 30 HIS CD2 C 13 116.8 0.2 . 1 . . . . 9 HIS CD2 . 15347 1 103 . 1 1 30 30 HIS CE1 C 13 139.5 0.2 . 1 . . . . 9 HIS CE1 . 15347 1 104 . 1 1 30 30 HIS N N 15 119.8 0.2 . 1 . . . . 9 HIS N . 15347 1 105 . 1 1 30 30 HIS ND1 N 15 250.7 0.2 . 1 . . . . 9 HIS ND1 . 15347 1 106 . 1 1 30 30 HIS NE2 N 15 165.0 0.2 . 1 . . . . 9 HIS NE2 . 15347 1 107 . 1 1 31 31 ALA H H 1 9.31 0.02 . 1 . . . . 10 ALA H . 15347 1 108 . 1 1 31 31 ALA HA H 1 3.90 0.02 . 1 . . . . 10 ALA HA . 15347 1 109 . 1 1 31 31 ALA HB1 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 15347 1 110 . 1 1 31 31 ALA HB2 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 15347 1 111 . 1 1 31 31 ALA HB3 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 15347 1 112 . 1 1 31 31 ALA C C 13 178.1 0.2 . 1 . . . . 10 ALA C . 15347 1 113 . 1 1 31 31 ALA CA C 13 51.6 0.2 . 1 . . . . 10 ALA CA . 15347 1 114 . 1 1 31 31 ALA CB C 13 20.4 0.2 . 1 . . . . 10 ALA CB . 15347 1 115 . 1 1 31 31 ALA N N 15 123.9 0.2 . 1 . . . . 10 ALA N . 15347 1 116 . 1 1 32 32 GLY H H 1 10.32 0.02 . 1 . . . . 11 GLY H . 15347 1 117 . 1 1 32 32 GLY HA2 H 1 3.76 0.02 . 2 . . . . 11 GLY HA2 . 15347 1 118 . 1 1 32 32 GLY HA3 H 1 4.07 0.02 . 2 . . . . 11 GLY HA3 . 15347 1 119 . 1 1 32 32 GLY C C 13 173.6 0.2 . 1 . . . . 11 GLY C . 15347 1 120 . 1 1 32 32 GLY CA C 13 46.4 0.2 . 1 . . . . 11 GLY CA . 15347 1 121 . 1 1 32 32 GLY N N 15 111.0 0.2 . 1 . . . . 11 GLY N . 15347 1 122 . 1 1 33 33 CYS H H 1 7.47 0.02 . 1 . . . . 12 CYS H . 15347 1 123 . 1 1 33 33 CYS HA H 1 5.07 0.02 . 1 . . . . 12 CYS HA . 15347 1 124 . 1 1 33 33 CYS HB2 H 1 2.91 0.02 . 2 . . . . 12 CYS HB2 . 15347 1 125 . 1 1 33 33 CYS HB3 H 1 3.56 0.02 . 2 . . . . 12 CYS HB3 . 15347 1 126 . 1 1 33 33 CYS CA C 13 58.5 0.2 . 1 . . . . 12 CYS CA . 15347 1 127 . 1 1 33 33 CYS CB C 13 28.6 0.2 . 1 . . . . 12 CYS CB . 15347 1 128 . 1 1 33 33 CYS N N 15 120.4 0.2 . 1 . . . . 12 CYS N . 15347 1 129 . 1 1 34 34 PRO HA H 1 4.27 0.02 . 1 . . . . 13 PRO HA . 15347 1 130 . 1 1 34 34 PRO HB2 H 1 2.02 0.02 . 2 . . . . 13 PRO HB2 . 15347 1 131 . 1 1 34 34 PRO HB3 H 1 2.48 0.02 . 2 . . . . 13 PRO HB3 . 15347 1 132 . 1 1 34 34 PRO HD2 H 1 3.81 0.02 . 2 . . . . 13 PRO HD2 . 15347 1 133 . 1 1 34 34 PRO HD3 H 1 4.01 0.02 . 2 . . . . 13 PRO HD3 . 15347 1 134 . 1 1 34 34 PRO HG2 H 1 2.03 0.02 . 2 . . . . 13 PRO HG2 . 15347 1 135 . 1 1 34 34 PRO HG3 H 1 2.24 0.02 . 2 . . . . 13 PRO HG3 . 15347 1 136 . 1 1 34 34 PRO C C 13 179.7 0.2 . 1 . . . . 13 PRO C . 15347 1 137 . 1 1 34 34 PRO CA C 13 66.5 0.2 . 1 . . . . 13 PRO CA . 15347 1 138 . 1 1 34 34 PRO CB C 13 32.2 0.2 . 1 . . . . 13 PRO CB . 15347 1 139 . 1 1 34 34 PRO CD C 13 50.6 0.2 . 1 . . . . 13 PRO CD . 15347 1 140 . 1 1 34 34 PRO CG C 13 28.4 0.2 . 1 . . . . 13 PRO CG . 15347 1 141 . 1 1 35 35 VAL H H 1 8.32 0.02 . 1 . . . . 14 VAL H . 15347 1 142 . 1 1 35 35 VAL HA H 1 3.89 0.02 . 1 . . . . 14 VAL HA . 15347 1 143 . 1 1 35 35 VAL HB H 1 2.17 0.02 . 1 . . . . 14 VAL HB . 15347 1 144 . 1 1 35 35 VAL HG11 H 1 1.03 0.02 . 1 . . . . 14 VAL HG1 . 15347 1 145 . 1 1 35 35 VAL HG12 H 1 1.03 0.02 . 1 . . . . 14 VAL HG1 . 15347 1 146 . 1 1 35 35 VAL HG13 H 1 1.03 0.02 . 1 . . . . 14 VAL HG1 . 15347 1 147 . 1 1 35 35 VAL HG21 H 1 1.26 0.02 . 1 . . . . 14 VAL HG2 . 15347 1 148 . 1 1 35 35 VAL HG22 H 1 1.26 0.02 . 1 . . . . 14 VAL HG2 . 15347 1 149 . 1 1 35 35 VAL HG23 H 1 1.26 0.02 . 1 . . . . 14 VAL HG2 . 15347 1 150 . 1 1 35 35 VAL C C 13 179.3 0.2 . 1 . . . . 14 VAL C . 15347 1 151 . 1 1 35 35 VAL CA C 13 66.2 0.2 . 1 . . . . 14 VAL CA . 15347 1 152 . 1 1 35 35 VAL CB C 13 32.8 0.2 . 1 . . . . 14 VAL CB . 15347 1 153 . 1 1 35 35 VAL CG1 C 13 21.2 0.2 . 1 . . . . 14 VAL CG1 . 15347 1 154 . 1 1 35 35 VAL CG2 C 13 22.1 0.2 . 1 . . . . 14 VAL CG2 . 15347 1 155 . 1 1 35 35 VAL N N 15 120.6 0.2 . 1 . . . . 14 VAL N . 15347 1 156 . 1 1 36 36 CYS H H 1 8.34 0.02 . 1 . . . . 15 CYS H . 15347 1 157 . 1 1 36 36 CYS HA H 1 3.99 0.02 . 1 . . . . 15 CYS HA . 15347 1 158 . 1 1 36 36 CYS HB2 H 1 3.21 0.02 . 2 . . . . 15 CYS HB2 . 15347 1 159 . 1 1 36 36 CYS HB3 H 1 3.82 0.02 . 2 . . . . 15 CYS HB3 . 15347 1 160 . 1 1 36 36 CYS C C 13 176.5 0.2 . 1 . . . . 15 CYS C . 15347 1 161 . 1 1 36 36 CYS CA C 13 65.3 0.2 . 1 . . . . 15 CYS CA . 15347 1 162 . 1 1 36 36 CYS CB C 13 29.0 0.2 . 1 . . . . 15 CYS CB . 15347 1 163 . 1 1 36 36 CYS N N 15 125.4 0.2 . 1 . . . . 15 CYS N . 15347 1 164 . 1 1 37 37 VAL H H 1 8.72 0.02 . 1 . . . . 16 VAL H . 15347 1 165 . 1 1 37 37 VAL HA H 1 3.75 0.02 . 1 . . . . 16 VAL HA . 15347 1 166 . 1 1 37 37 VAL HB H 1 1.98 0.02 . 1 . . . . 16 VAL HB . 15347 1 167 . 1 1 37 37 VAL HG11 H 1 0.90 0.02 . 1 . . . . 16 VAL HG1 . 15347 1 168 . 1 1 37 37 VAL HG12 H 1 0.90 0.02 . 1 . . . . 16 VAL HG1 . 15347 1 169 . 1 1 37 37 VAL HG13 H 1 0.90 0.02 . 1 . . . . 16 VAL HG1 . 15347 1 170 . 1 1 37 37 VAL HG21 H 1 0.94 0.02 . 1 . . . . 16 VAL HG2 . 15347 1 171 . 1 1 37 37 VAL HG22 H 1 0.94 0.02 . 1 . . . . 16 VAL HG2 . 15347 1 172 . 1 1 37 37 VAL HG23 H 1 0.94 0.02 . 1 . . . . 16 VAL HG2 . 15347 1 173 . 1 1 37 37 VAL C C 13 178.8 0.2 . 1 . . . . 16 VAL C . 15347 1 174 . 1 1 37 37 VAL CA C 13 65.9 0.2 . 1 . . . . 16 VAL CA . 15347 1 175 . 1 1 37 37 VAL CB C 13 32.1 0.2 . 1 . . . . 16 VAL CB . 15347 1 176 . 1 1 37 37 VAL CG1 C 13 21.0 0.2 . 1 . . . . 16 VAL CG1 . 15347 1 177 . 1 1 37 37 VAL CG2 C 13 22.3 0.2 . 1 . . . . 16 VAL CG2 . 15347 1 178 . 1 1 37 37 VAL N N 15 119.8 0.2 . 1 . . . . 16 VAL N . 15347 1 179 . 1 1 38 38 SER H H 1 7.80 0.02 . 1 . . . . 17 SER H . 15347 1 180 . 1 1 38 38 SER HA H 1 4.33 0.02 . 1 . . . . 17 SER HA . 15347 1 181 . 1 1 38 38 SER HB2 H 1 4.12 0.02 . 2 . . . . 17 SER HB2 . 15347 1 182 . 1 1 38 38 SER HB3 H 1 4.15 0.02 . 2 . . . . 17 SER HB3 . 15347 1 183 . 1 1 38 38 SER C C 13 176.8 0.2 . 1 . . . . 17 SER C . 15347 1 184 . 1 1 38 38 SER CA C 13 61.4 0.2 . 1 . . . . 17 SER CA . 15347 1 185 . 1 1 38 38 SER CB C 13 62.9 0.2 . 1 . . . . 17 SER CB . 15347 1 186 . 1 1 38 38 SER N N 15 114.2 0.2 . 1 . . . . 17 SER N . 15347 1 187 . 1 1 39 39 ALA H H 1 7.91 0.02 . 1 . . . . 18 ALA H . 15347 1 188 . 1 1 39 39 ALA HA H 1 3.95 0.02 . 1 . . . . 18 ALA HA . 15347 1 189 . 1 1 39 39 ALA HB1 H 1 1.68 0.02 . 1 . . . . 18 ALA HB . 15347 1 190 . 1 1 39 39 ALA HB2 H 1 1.68 0.02 . 1 . . . . 18 ALA HB . 15347 1 191 . 1 1 39 39 ALA HB3 H 1 1.68 0.02 . 1 . . . . 18 ALA HB . 15347 1 192 . 1 1 39 39 ALA C C 13 178.7 0.2 . 1 . . . . 18 ALA C . 15347 1 193 . 1 1 39 39 ALA CA C 13 55.1 0.2 . 1 . . . . 18 ALA CA . 15347 1 194 . 1 1 39 39 ALA CB C 13 18.8 0.2 . 1 . . . . 18 ALA CB . 15347 1 195 . 1 1 39 39 ALA N N 15 121.6 0.2 . 1 . . . . 18 ALA N . 15347 1 196 . 1 1 40 40 GLU H H 1 9.06 0.02 . 1 . . . . 19 GLU H . 15347 1 197 . 1 1 40 40 GLU HA H 1 2.67 0.02 . 1 . . . . 19 GLU HA . 15347 1 198 . 1 1 40 40 GLU HB2 H 1 1.83 0.02 . 2 . . . . 19 GLU HB2 . 15347 1 199 . 1 1 40 40 GLU HB3 H 1 2.03 0.02 . 2 . . . . 19 GLU HB3 . 15347 1 200 . 1 1 40 40 GLU HG2 H 1 1.42 0.02 . 2 . . . . 19 GLU HG2 . 15347 1 201 . 1 1 40 40 GLU HG3 H 1 1.58 0.02 . 2 . . . . 19 GLU HG3 . 15347 1 202 . 1 1 40 40 GLU C C 13 176.9 0.2 . 1 . . . . 19 GLU C . 15347 1 203 . 1 1 40 40 GLU CA C 13 58.7 0.2 . 1 . . . . 19 GLU CA . 15347 1 204 . 1 1 40 40 GLU CB C 13 29.7 0.2 . 1 . . . . 19 GLU CB . 15347 1 205 . 1 1 40 40 GLU CG C 13 34.7 0.2 . 1 . . . . 19 GLU CG . 15347 1 206 . 1 1 40 40 GLU N N 15 123.7 0.2 . 1 . . . . 19 GLU N . 15347 1 207 . 1 1 41 41 GLN H H 1 7.73 0.02 . 1 . . . . 20 GLN H . 15347 1 208 . 1 1 41 41 GLN HA H 1 3.82 0.02 . 1 . . . . 20 GLN HA . 15347 1 209 . 1 1 41 41 GLN HB2 H 1 2.00 0.02 . 2 . . . . 20 GLN HB2 . 15347 1 210 . 1 1 41 41 GLN HB3 H 1 2.04 0.02 . 2 . . . . 20 GLN HB3 . 15347 1 211 . 1 1 41 41 GLN HE21 H 1 6.77 0.02 . 2 . . . . 20 GLN HE21 . 15347 1 212 . 1 1 41 41 GLN HE22 H 1 7.39 0.02 . 2 . . . . 20 GLN HE22 . 15347 1 213 . 1 1 41 41 GLN HG2 H 1 2.33 0.02 . 2 . . . . 20 GLN HG2 . 15347 1 214 . 1 1 41 41 GLN HG3 H 1 2.48 0.02 . 2 . . . . 20 GLN HG3 . 15347 1 215 . 1 1 41 41 GLN C C 13 177.0 0.2 . 1 . . . . 20 GLN C . 15347 1 216 . 1 1 41 41 GLN CA C 13 57.8 0.2 . 1 . . . . 20 GLN CA . 15347 1 217 . 1 1 41 41 GLN CB C 13 28.6 0.2 . 1 . . . . 20 GLN CB . 15347 1 218 . 1 1 41 41 GLN CD C 13 179.9 0.2 . 1 . . . . 20 GLN CD . 15347 1 219 . 1 1 41 41 GLN CG C 13 33.7 0.2 . 1 . . . . 20 GLN CG . 15347 1 220 . 1 1 41 41 GLN N N 15 114.0 0.2 . 1 . . . . 20 GLN N . 15347 1 221 . 1 1 41 41 GLN NE2 N 15 112.0 0.2 . 1 . . . . 20 GLN NE2 . 15347 1 222 . 1 1 42 42 ALA H H 1 7.69 0.02 . 1 . . . . 21 ALA H . 15347 1 223 . 1 1 42 42 ALA HA H 1 4.15 0.02 . 1 . . . . 21 ALA HA . 15347 1 224 . 1 1 42 42 ALA HB1 H 1 0.89 0.02 . 1 . . . . 21 ALA HB . 15347 1 225 . 1 1 42 42 ALA HB2 H 1 0.89 0.02 . 1 . . . . 21 ALA HB . 15347 1 226 . 1 1 42 42 ALA HB3 H 1 0.89 0.02 . 1 . . . . 21 ALA HB . 15347 1 227 . 1 1 42 42 ALA C C 13 176.0 0.2 . 1 . . . . 21 ALA C . 15347 1 228 . 1 1 42 42 ALA CA C 13 53.6 0.2 . 1 . . . . 21 ALA CA . 15347 1 229 . 1 1 42 42 ALA CB C 13 21.7 0.2 . 1 . . . . 21 ALA CB . 15347 1 230 . 1 1 42 42 ALA N N 15 116.8 0.2 . 1 . . . . 21 ALA N . 15347 1 231 . 1 1 43 43 VAL H H 1 7.14 0.02 . 1 . . . . 22 VAL H . 15347 1 232 . 1 1 43 43 VAL HA H 1 3.60 0.02 . 1 . . . . 22 VAL HA . 15347 1 233 . 1 1 43 43 VAL HB H 1 1.78 0.02 . 1 . . . . 22 VAL HB . 15347 1 234 . 1 1 43 43 VAL HG11 H 1 0.39 0.02 . 1 . . . . 22 VAL HG1 . 15347 1 235 . 1 1 43 43 VAL HG12 H 1 0.39 0.02 . 1 . . . . 22 VAL HG1 . 15347 1 236 . 1 1 43 43 VAL HG13 H 1 0.39 0.02 . 1 . . . . 22 VAL HG1 . 15347 1 237 . 1 1 43 43 VAL HG21 H 1 0.04 0.02 . 1 . . . . 22 VAL HG2 . 15347 1 238 . 1 1 43 43 VAL HG22 H 1 0.04 0.02 . 1 . . . . 22 VAL HG2 . 15347 1 239 . 1 1 43 43 VAL HG23 H 1 0.04 0.02 . 1 . . . . 22 VAL HG2 . 15347 1 240 . 1 1 43 43 VAL C C 13 176.9 0.2 . 1 . . . . 22 VAL C . 15347 1 241 . 1 1 43 43 VAL CA C 13 63.7 0.2 . 1 . . . . 22 VAL CA . 15347 1 242 . 1 1 43 43 VAL CB C 13 32.3 0.2 . 1 . . . . 22 VAL CB . 15347 1 243 . 1 1 43 43 VAL CG1 C 13 20.5 0.2 . 1 . . . . 22 VAL CG1 . 15347 1 244 . 1 1 43 43 VAL CG2 C 13 20.6 0.2 . 1 . . . . 22 VAL CG2 . 15347 1 245 . 1 1 43 43 VAL N N 15 110.2 0.2 . 1 . . . . 22 VAL N . 15347 1 246 . 1 1 44 44 ALA H H 1 7.24 0.02 . 1 . . . . 23 ALA H . 15347 1 247 . 1 1 44 44 ALA HA H 1 3.50 0.02 . 1 . . . . 23 ALA HA . 15347 1 248 . 1 1 44 44 ALA HB1 H 1 0.56 0.02 . 1 . . . . 23 ALA HB . 15347 1 249 . 1 1 44 44 ALA HB2 H 1 0.56 0.02 . 1 . . . . 23 ALA HB . 15347 1 250 . 1 1 44 44 ALA HB3 H 1 0.56 0.02 . 1 . . . . 23 ALA HB . 15347 1 251 . 1 1 44 44 ALA C C 13 179.5 0.2 . 1 . . . . 23 ALA C . 15347 1 252 . 1 1 44 44 ALA CA C 13 56.0 0.2 . 1 . . . . 23 ALA CA . 15347 1 253 . 1 1 44 44 ALA CB C 13 16.0 0.2 . 1 . . . . 23 ALA CB . 15347 1 254 . 1 1 44 44 ALA N N 15 119.6 0.2 . 1 . . . . 23 ALA N . 15347 1 255 . 1 1 45 45 ASN H H 1 7.56 0.02 . 1 . . . . 24 ASN H . 15347 1 256 . 1 1 45 45 ASN HA H 1 4.45 0.02 . 1 . . . . 24 ASN HA . 15347 1 257 . 1 1 45 45 ASN HB2 H 1 2.74 0.02 . 2 . . . . 24 ASN HB2 . 15347 1 258 . 1 1 45 45 ASN HB3 H 1 2.84 0.02 . 2 . . . . 24 ASN HB3 . 15347 1 259 . 1 1 45 45 ASN HD21 H 1 6.87 0.02 . 2 . . . . 24 ASN HD21 . 15347 1 260 . 1 1 45 45 ASN HD22 H 1 7.27 0.02 . 2 . . . . 24 ASN HD22 . 15347 1 261 . 1 1 45 45 ASN C C 13 174.3 0.2 . 1 . . . . 24 ASN C . 15347 1 262 . 1 1 45 45 ASN CA C 13 53.5 0.2 . 1 . . . . 24 ASN CA . 15347 1 263 . 1 1 45 45 ASN CB C 13 37.9 0.2 . 1 . . . . 24 ASN CB . 15347 1 264 . 1 1 45 45 ASN CG C 13 176.4 0.2 . 1 . . . . 24 ASN CG . 15347 1 265 . 1 1 45 45 ASN N N 15 111.1 0.2 . 1 . . . . 24 ASN N . 15347 1 266 . 1 1 45 45 ASN ND2 N 15 109.1 0.2 . 1 . . . . 24 ASN ND2 . 15347 1 267 . 1 1 46 46 ALA H H 1 7.17 0.02 . 1 . . . . 25 ALA H . 15347 1 268 . 1 1 46 46 ALA HA H 1 4.39 0.02 . 1 . . . . 25 ALA HA . 15347 1 269 . 1 1 46 46 ALA HB1 H 1 1.38 0.02 . 1 . . . . 25 ALA HB . 15347 1 270 . 1 1 46 46 ALA HB2 H 1 1.38 0.02 . 1 . . . . 25 ALA HB . 15347 1 271 . 1 1 46 46 ALA HB3 H 1 1.38 0.02 . 1 . . . . 25 ALA HB . 15347 1 272 . 1 1 46 46 ALA C C 13 175.7 0.2 . 1 . . . . 25 ALA C . 15347 1 273 . 1 1 46 46 ALA CA C 13 51.4 0.2 . 1 . . . . 25 ALA CA . 15347 1 274 . 1 1 46 46 ALA CB C 13 19.6 0.2 . 1 . . . . 25 ALA CB . 15347 1 275 . 1 1 46 46 ALA N N 15 119.5 0.2 . 1 . . . . 25 ALA N . 15347 1 276 . 1 1 47 47 ILE H H 1 6.85 0.02 . 1 . . . . 26 ILE H . 15347 1 277 . 1 1 47 47 ILE HA H 1 3.94 0.02 . 1 . . . . 26 ILE HA . 15347 1 278 . 1 1 47 47 ILE HB H 1 1.87 0.02 . 1 . . . . 26 ILE HB . 15347 1 279 . 1 1 47 47 ILE HD11 H 1 0.42 0.02 . 1 . . . . 26 ILE HD1 . 15347 1 280 . 1 1 47 47 ILE HD12 H 1 0.42 0.02 . 1 . . . . 26 ILE HD1 . 15347 1 281 . 1 1 47 47 ILE HD13 H 1 0.42 0.02 . 1 . . . . 26 ILE HD1 . 15347 1 282 . 1 1 47 47 ILE HG12 H 1 1.25 0.02 . 2 . . . . 26 ILE HG12 . 15347 1 283 . 1 1 47 47 ILE HG13 H 1 1.51 0.02 . 2 . . . . 26 ILE HG13 . 15347 1 284 . 1 1 47 47 ILE HG21 H 1 0.85 0.02 . 1 . . . . 26 ILE HG2 . 15347 1 285 . 1 1 47 47 ILE HG22 H 1 0.85 0.02 . 1 . . . . 26 ILE HG2 . 15347 1 286 . 1 1 47 47 ILE HG23 H 1 0.85 0.02 . 1 . . . . 26 ILE HG2 . 15347 1 287 . 1 1 47 47 ILE C C 13 176.7 0.2 . 1 . . . . 26 ILE C . 15347 1 288 . 1 1 47 47 ILE CA C 13 60.0 0.2 . 1 . . . . 26 ILE CA . 15347 1 289 . 1 1 47 47 ILE CB C 13 36.3 0.2 . 1 . . . . 26 ILE CB . 15347 1 290 . 1 1 47 47 ILE CD1 C 13 9.6 0.2 . 1 . . . . 26 ILE CD1 . 15347 1 291 . 1 1 47 47 ILE CG1 C 13 27.5 0.2 . 1 . . . . 26 ILE CG1 . 15347 1 292 . 1 1 47 47 ILE CG2 C 13 18.7 0.2 . 1 . . . . 26 ILE CG2 . 15347 1 293 . 1 1 47 47 ILE N N 15 119.3 0.2 . 1 . . . . 26 ILE N . 15347 1 294 . 1 1 48 48 ASP H H 1 9.07 0.02 . 1 . . . . 27 ASP H . 15347 1 295 . 1 1 48 48 ASP HA H 1 4.46 0.02 . 1 . . . . 27 ASP HA . 15347 1 296 . 1 1 48 48 ASP HB2 H 1 2.33 0.02 . 2 . . . . 27 ASP HB2 . 15347 1 297 . 1 1 48 48 ASP HB3 H 1 2.95 0.02 . 2 . . . . 27 ASP HB3 . 15347 1 298 . 1 1 48 48 ASP CA C 13 52.1 0.2 . 1 . . . . 27 ASP CA . 15347 1 299 . 1 1 48 48 ASP CB C 13 42.3 0.2 . 1 . . . . 27 ASP CB . 15347 1 300 . 1 1 48 48 ASP N N 15 129.1 0.2 . 1 . . . . 27 ASP N . 15347 1 301 . 1 1 49 49 PRO HA H 1 5.07 0.02 . 1 . . . . 28 PRO HA . 15347 1 302 . 1 1 49 49 PRO HB2 H 1 2.03 0.02 . 2 . . . . 28 PRO HB2 . 15347 1 303 . 1 1 49 49 PRO HB3 H 1 2.33 0.02 . 2 . . . . 28 PRO HB3 . 15347 1 304 . 1 1 49 49 PRO HD2 H 1 3.96 0.02 . 2 . . . . 28 PRO HD2 . 15347 1 305 . 1 1 49 49 PRO HD3 H 1 4.20 0.02 . 2 . . . . 28 PRO HD3 . 15347 1 306 . 1 1 49 49 PRO HG2 H 1 1.95 0.02 . 2 . . . . 28 PRO HG2 . 15347 1 307 . 1 1 49 49 PRO HG3 H 1 2.06 0.02 . 2 . . . . 28 PRO HG3 . 15347 1 308 . 1 1 49 49 PRO C C 13 177.6 0.2 . 1 . . . . 28 PRO C . 15347 1 309 . 1 1 49 49 PRO CA C 13 63.5 0.2 . 1 . . . . 28 PRO CA . 15347 1 310 . 1 1 49 49 PRO CB C 13 31.7 0.2 . 1 . . . . 28 PRO CB . 15347 1 311 . 1 1 49 49 PRO CD C 13 51.4 0.2 . 1 . . . . 28 PRO CD . 15347 1 312 . 1 1 49 49 PRO CG C 13 26.7 0.2 . 1 . . . . 28 PRO CG . 15347 1 313 . 1 1 50 50 SER H H 1 8.66 0.02 . 1 . . . . 29 SER H . 15347 1 314 . 1 1 50 50 SER HA H 1 4.26 0.02 . 1 . . . . 29 SER HA . 15347 1 315 . 1 1 50 50 SER HB2 H 1 3.76 0.02 . 2 . . . . 29 SER HB2 . 15347 1 316 . 1 1 50 50 SER HB3 H 1 3.85 0.02 . 2 . . . . 29 SER HB3 . 15347 1 317 . 1 1 50 50 SER C C 13 174.3 0.2 . 1 . . . . 29 SER C . 15347 1 318 . 1 1 50 50 SER CA C 13 59.8 0.2 . 1 . . . . 29 SER CA . 15347 1 319 . 1 1 50 50 SER CB C 13 63.2 0.2 . 1 . . . . 29 SER CB . 15347 1 320 . 1 1 50 50 SER N N 15 114.5 0.2 . 1 . . . . 29 SER N . 15347 1 321 . 1 1 51 51 LYS H H 1 7.59 0.02 . 1 . . . . 30 LYS H . 15347 1 322 . 1 1 51 51 LYS HA H 1 4.10 0.02 . 1 . . . . 30 LYS HA . 15347 1 323 . 1 1 51 51 LYS HB2 H 1 1.35 0.02 . 2 . . . . 30 LYS HB2 . 15347 1 324 . 1 1 51 51 LYS HB3 H 1 1.63 0.02 . 2 . . . . 30 LYS HB3 . 15347 1 325 . 1 1 51 51 LYS HD2 H 1 1.49 0.02 . 2 . . . . 30 LYS HD2 . 15347 1 326 . 1 1 51 51 LYS HD3 H 1 1.60 0.02 . 2 . . . . 30 LYS HD3 . 15347 1 327 . 1 1 51 51 LYS HE2 H 1 2.79 0.02 . 2 . . . . 30 LYS HE2 . 15347 1 328 . 1 1 51 51 LYS HE3 H 1 2.89 0.02 . 2 . . . . 30 LYS HE3 . 15347 1 329 . 1 1 51 51 LYS HG2 H 1 0.98 0.02 . 2 . . . . 30 LYS HG2 . 15347 1 330 . 1 1 51 51 LYS HG3 H 1 1.14 0.02 . 2 . . . . 30 LYS HG3 . 15347 1 331 . 1 1 51 51 LYS C C 13 175.6 0.2 . 1 . . . . 30 LYS C . 15347 1 332 . 1 1 51 51 LYS CA C 13 57.4 0.2 . 1 . . . . 30 LYS CA . 15347 1 333 . 1 1 51 51 LYS CB C 13 35.8 0.2 . 1 . . . . 30 LYS CB . 15347 1 334 . 1 1 51 51 LYS CD C 13 29.5 0.2 . 1 . . . . 30 LYS CD . 15347 1 335 . 1 1 51 51 LYS CE C 13 42.4 0.2 . 1 . . . . 30 LYS CE . 15347 1 336 . 1 1 51 51 LYS CG C 13 25.6 0.2 . 1 . . . . 30 LYS CG . 15347 1 337 . 1 1 51 51 LYS N N 15 120.8 0.2 . 1 . . . . 30 LYS N . 15347 1 338 . 1 1 52 52 TYR H H 1 7.87 0.02 . 1 . . . . 31 TYR H . 15347 1 339 . 1 1 52 52 TYR HA H 1 5.25 0.02 . 1 . . . . 31 TYR HA . 15347 1 340 . 1 1 52 52 TYR HB2 H 1 2.26 0.02 . 2 . . . . 31 TYR HB2 . 15347 1 341 . 1 1 52 52 TYR HB3 H 1 2.75 0.02 . 2 . . . . 31 TYR HB3 . 15347 1 342 . 1 1 52 52 TYR HD1 H 1 6.76 0.02 . 3 . . . . 31 TYR HD1 . 15347 1 343 . 1 1 52 52 TYR HE1 H 1 6.74 0.02 . 3 . . . . 31 TYR HE1 . 15347 1 344 . 1 1 52 52 TYR C C 13 175.1 0.2 . 1 . . . . 31 TYR C . 15347 1 345 . 1 1 52 52 TYR CA C 13 56.1 0.2 . 1 . . . . 31 TYR CA . 15347 1 346 . 1 1 52 52 TYR CB C 13 42.9 0.2 . 1 . . . . 31 TYR CB . 15347 1 347 . 1 1 52 52 TYR CD1 C 13 133.2 0.2 . 3 . . . . 31 TYR CD1 . 15347 1 348 . 1 1 52 52 TYR CE1 C 13 118.0 0.2 . 3 . . . . 31 TYR CE1 . 15347 1 349 . 1 1 52 52 TYR N N 15 113.9 0.2 . 1 . . . . 31 TYR N . 15347 1 350 . 1 1 53 53 THR H H 1 8.61 0.02 . 1 . . . . 32 THR H . 15347 1 351 . 1 1 53 53 THR HA H 1 4.36 0.02 . 1 . . . . 32 THR HA . 15347 1 352 . 1 1 53 53 THR HB H 1 3.97 0.02 . 1 . . . . 32 THR HB . 15347 1 353 . 1 1 53 53 THR HG21 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 15347 1 354 . 1 1 53 53 THR HG22 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 15347 1 355 . 1 1 53 53 THR HG23 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 15347 1 356 . 1 1 53 53 THR C C 13 174.1 0.2 . 1 . . . . 32 THR C . 15347 1 357 . 1 1 53 53 THR CA C 13 61.0 0.2 . 1 . . . . 32 THR CA . 15347 1 358 . 1 1 53 53 THR CB C 13 69.2 0.2 . 1 . . . . 32 THR CB . 15347 1 359 . 1 1 53 53 THR CG2 C 13 22.0 0.2 . 1 . . . . 32 THR CG2 . 15347 1 360 . 1 1 53 53 THR N N 15 118.1 0.2 . 1 . . . . 32 THR N . 15347 1 361 . 1 1 54 54 VAL H H 1 8.63 0.02 . 1 . . . . 33 VAL H . 15347 1 362 . 1 1 54 54 VAL HA H 1 4.50 0.02 . 1 . . . . 33 VAL HA . 15347 1 363 . 1 1 54 54 VAL HB H 1 1.92 0.02 . 1 . . . . 33 VAL HB . 15347 1 364 . 1 1 54 54 VAL HG11 H 1 0.59 0.02 . 1 . . . . 33 VAL HG1 . 15347 1 365 . 1 1 54 54 VAL HG12 H 1 0.59 0.02 . 1 . . . . 33 VAL HG1 . 15347 1 366 . 1 1 54 54 VAL HG13 H 1 0.59 0.02 . 1 . . . . 33 VAL HG1 . 15347 1 367 . 1 1 54 54 VAL HG21 H 1 0.79 0.02 . 1 . . . . 33 VAL HG2 . 15347 1 368 . 1 1 54 54 VAL HG22 H 1 0.79 0.02 . 1 . . . . 33 VAL HG2 . 15347 1 369 . 1 1 54 54 VAL HG23 H 1 0.79 0.02 . 1 . . . . 33 VAL HG2 . 15347 1 370 . 1 1 54 54 VAL C C 13 175.2 0.2 . 1 . . . . 33 VAL C . 15347 1 371 . 1 1 54 54 VAL CA C 13 61.7 0.2 . 1 . . . . 33 VAL CA . 15347 1 372 . 1 1 54 54 VAL CB C 13 32.4 0.2 . 1 . . . . 33 VAL CB . 15347 1 373 . 1 1 54 54 VAL CG1 C 13 21.6 0.2 . 1 . . . . 33 VAL CG1 . 15347 1 374 . 1 1 54 54 VAL CG2 C 13 21.7 0.2 . 1 . . . . 33 VAL CG2 . 15347 1 375 . 1 1 54 54 VAL N N 15 128.0 0.2 . 1 . . . . 33 VAL N . 15347 1 376 . 1 1 55 55 GLU H H 1 8.80 0.02 . 1 . . . . 34 GLU H . 15347 1 377 . 1 1 55 55 GLU HA H 1 4.46 0.02 . 1 . . . . 34 GLU HA . 15347 1 378 . 1 1 55 55 GLU HB2 H 1 1.79 0.02 . 2 . . . . 34 GLU HB2 . 15347 1 379 . 1 1 55 55 GLU HB3 H 1 2.00 0.02 . 2 . . . . 34 GLU HB3 . 15347 1 380 . 1 1 55 55 GLU HG2 H 1 1.91 0.02 . 2 . . . . 34 GLU HG2 . 15347 1 381 . 1 1 55 55 GLU HG3 H 1 2.29 0.02 . 2 . . . . 34 GLU HG3 . 15347 1 382 . 1 1 55 55 GLU C C 13 174.0 0.2 . 1 . . . . 34 GLU C . 15347 1 383 . 1 1 55 55 GLU CA C 13 54.7 0.2 . 1 . . . . 34 GLU CA . 15347 1 384 . 1 1 55 55 GLU CB C 13 31.4 0.2 . 1 . . . . 34 GLU CB . 15347 1 385 . 1 1 55 55 GLU CG C 13 35.9 0.2 . 1 . . . . 34 GLU CG . 15347 1 386 . 1 1 55 55 GLU N N 15 131.3 0.2 . 1 . . . . 34 GLU N . 15347 1 387 . 1 1 56 56 ILE H H 1 8.94 0.02 . 1 . . . . 35 ILE H . 15347 1 388 . 1 1 56 56 ILE HA H 1 4.71 0.02 . 1 . . . . 35 ILE HA . 15347 1 389 . 1 1 56 56 ILE HB H 1 2.08 0.02 . 1 . . . . 35 ILE HB . 15347 1 390 . 1 1 56 56 ILE HD11 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 15347 1 391 . 1 1 56 56 ILE HD12 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 15347 1 392 . 1 1 56 56 ILE HD13 H 1 0.64 0.02 . 1 . . . . 35 ILE HD1 . 15347 1 393 . 1 1 56 56 ILE HG12 H 1 1.28 0.02 . 2 . . . . 35 ILE HG12 . 15347 1 394 . 1 1 56 56 ILE HG13 H 1 1.54 0.02 . 2 . . . . 35 ILE HG13 . 15347 1 395 . 1 1 56 56 ILE HG21 H 1 1.08 0.02 . 1 . . . . 35 ILE HG2 . 15347 1 396 . 1 1 56 56 ILE HG22 H 1 1.08 0.02 . 1 . . . . 35 ILE HG2 . 15347 1 397 . 1 1 56 56 ILE HG23 H 1 1.08 0.02 . 1 . . . . 35 ILE HG2 . 15347 1 398 . 1 1 56 56 ILE C C 13 176.2 0.2 . 1 . . . . 35 ILE C . 15347 1 399 . 1 1 56 56 ILE CA C 13 60.6 0.2 . 1 . . . . 35 ILE CA . 15347 1 400 . 1 1 56 56 ILE CB C 13 36.8 0.2 . 1 . . . . 35 ILE CB . 15347 1 401 . 1 1 56 56 ILE CD1 C 13 11.4 0.2 . 1 . . . . 35 ILE CD1 . 15347 1 402 . 1 1 56 56 ILE CG1 C 13 27.2 0.2 . 1 . . . . 35 ILE CG1 . 15347 1 403 . 1 1 56 56 ILE CG2 C 13 18.5 0.2 . 1 . . . . 35 ILE CG2 . 15347 1 404 . 1 1 56 56 ILE N N 15 129.3 0.2 . 1 . . . . 35 ILE N . 15347 1 405 . 1 1 57 57 VAL H H 1 9.38 0.02 . 1 . . . . 36 VAL H . 15347 1 406 . 1 1 57 57 VAL HA H 1 4.25 0.02 . 1 . . . . 36 VAL HA . 15347 1 407 . 1 1 57 57 VAL HB H 1 1.83 0.02 . 1 . . . . 36 VAL HB . 15347 1 408 . 1 1 57 57 VAL HG11 H 1 0.90 0.02 . 1 . . . . 36 VAL HG1 . 15347 1 409 . 1 1 57 57 VAL HG12 H 1 0.90 0.02 . 1 . . . . 36 VAL HG1 . 15347 1 410 . 1 1 57 57 VAL HG13 H 1 0.90 0.02 . 1 . . . . 36 VAL HG1 . 15347 1 411 . 1 1 57 57 VAL HG21 H 1 0.60 0.02 . 1 . . . . 36 VAL HG2 . 15347 1 412 . 1 1 57 57 VAL HG22 H 1 0.60 0.02 . 1 . . . . 36 VAL HG2 . 15347 1 413 . 1 1 57 57 VAL HG23 H 1 0.60 0.02 . 1 . . . . 36 VAL HG2 . 15347 1 414 . 1 1 57 57 VAL C C 13 172.4 0.2 . 1 . . . . 36 VAL C . 15347 1 415 . 1 1 57 57 VAL CA C 13 62.0 0.2 . 1 . . . . 36 VAL CA . 15347 1 416 . 1 1 57 57 VAL CB C 13 34.0 0.2 . 1 . . . . 36 VAL CB . 15347 1 417 . 1 1 57 57 VAL CG1 C 13 20.7 0.2 . 1 . . . . 36 VAL CG1 . 15347 1 418 . 1 1 57 57 VAL CG2 C 13 20.6 0.2 . 1 . . . . 36 VAL CG2 . 15347 1 419 . 1 1 57 57 VAL N N 15 130.7 0.2 . 1 . . . . 36 VAL N . 15347 1 420 . 1 1 58 58 HIS H H 1 8.96 0.02 . 1 . . . . 37 HIS H . 15347 1 421 . 1 1 58 58 HIS HA H 1 3.91 0.02 . 1 . . . . 37 HIS HA . 15347 1 422 . 1 1 58 58 HIS HB2 H 1 2.65 0.02 . 2 . . . . 37 HIS HB2 . 15347 1 423 . 1 1 58 58 HIS HB3 H 1 3.44 0.02 . 2 . . . . 37 HIS HB3 . 15347 1 424 . 1 1 58 58 HIS HD2 H 1 7.02 0.02 . 1 . . . . 37 HIS HD2 . 15347 1 425 . 1 1 58 58 HIS HE1 H 1 7.48 0.02 . 1 . . . . 37 HIS HE1 . 15347 1 426 . 1 1 58 58 HIS C C 13 176.1 0.2 . 1 . . . . 37 HIS C . 15347 1 427 . 1 1 58 58 HIS CA C 13 53.9 0.2 . 1 . . . . 37 HIS CA . 15347 1 428 . 1 1 58 58 HIS CB C 13 30.6 0.2 . 1 . . . . 37 HIS CB . 15347 1 429 . 1 1 58 58 HIS CD2 C 13 116.6 0.2 . 1 . . . . 37 HIS CD2 . 15347 1 430 . 1 1 58 58 HIS CE1 C 13 138.1 0.2 . 1 . . . . 37 HIS CE1 . 15347 1 431 . 1 1 58 58 HIS N N 15 130.6 0.2 . 1 . . . . 37 HIS N . 15347 1 432 . 1 1 58 58 HIS ND1 N 15 246.3 0.2 . 1 . . . . 37 HIS ND1 . 15347 1 433 . 1 1 58 58 HIS NE2 N 15 163.9 0.2 . 1 . . . . 37 HIS NE2 . 15347 1 434 . 1 1 59 59 LEU H H 1 9.09 0.02 . 1 . . . . 38 LEU H . 15347 1 435 . 1 1 59 59 LEU HA H 1 4.08 0.02 . 1 . . . . 38 LEU HA . 15347 1 436 . 1 1 59 59 LEU HB2 H 1 1.37 0.02 . 2 . . . . 38 LEU HB2 . 15347 1 437 . 1 1 59 59 LEU HB3 H 1 1.44 0.02 . 2 . . . . 38 LEU HB3 . 15347 1 438 . 1 1 59 59 LEU HD11 H 1 0.41 0.02 . 1 . . . . 38 LEU HD1 . 15347 1 439 . 1 1 59 59 LEU HD12 H 1 0.41 0.02 . 1 . . . . 38 LEU HD1 . 15347 1 440 . 1 1 59 59 LEU HD13 H 1 0.41 0.02 . 1 . . . . 38 LEU HD1 . 15347 1 441 . 1 1 59 59 LEU HD21 H 1 0.68 0.02 . 1 . . . . 38 LEU HD2 . 15347 1 442 . 1 1 59 59 LEU HD22 H 1 0.68 0.02 . 1 . . . . 38 LEU HD2 . 15347 1 443 . 1 1 59 59 LEU HD23 H 1 0.68 0.02 . 1 . . . . 38 LEU HD2 . 15347 1 444 . 1 1 59 59 LEU HG H 1 1.75 0.02 . 1 . . . . 38 LEU HG . 15347 1 445 . 1 1 59 59 LEU C C 13 177.1 0.2 . 1 . . . . 38 LEU C . 15347 1 446 . 1 1 59 59 LEU CA C 13 55.3 0.2 . 1 . . . . 38 LEU CA . 15347 1 447 . 1 1 59 59 LEU CB C 13 42.7 0.2 . 1 . . . . 38 LEU CB . 15347 1 448 . 1 1 59 59 LEU CD1 C 13 25.2 0.2 . 1 . . . . 38 LEU CD1 . 15347 1 449 . 1 1 59 59 LEU CD2 C 13 22.4 0.2 . 1 . . . . 38 LEU CD2 . 15347 1 450 . 1 1 59 59 LEU CG C 13 26.4 0.2 . 1 . . . . 38 LEU CG . 15347 1 451 . 1 1 59 59 LEU N N 15 124.9 0.2 . 1 . . . . 38 LEU N . 15347 1 452 . 1 1 60 60 GLY H H 1 9.70 0.02 . 1 . . . . 39 GLY H . 15347 1 453 . 1 1 60 60 GLY HA2 H 1 3.91 0.02 . 2 . . . . 39 GLY HA2 . 15347 1 454 . 1 1 60 60 GLY HA3 H 1 4.08 0.02 . 2 . . . . 39 GLY HA3 . 15347 1 455 . 1 1 60 60 GLY C C 13 175.4 0.2 . 1 . . . . 39 GLY C . 15347 1 456 . 1 1 60 60 GLY CA C 13 46.1 0.2 . 1 . . . . 39 GLY CA . 15347 1 457 . 1 1 60 60 GLY N N 15 106.7 0.2 . 1 . . . . 39 GLY N . 15347 1 458 . 1 1 61 61 THR H H 1 7.36 0.02 . 1 . . . . 40 THR H . 15347 1 459 . 1 1 61 61 THR HA H 1 4.22 0.02 . 1 . . . . 40 THR HA . 15347 1 460 . 1 1 61 61 THR HB H 1 4.03 0.02 . 1 . . . . 40 THR HB . 15347 1 461 . 1 1 61 61 THR HG21 H 1 0.72 0.02 . 1 . . . . 40 THR HG2 . 15347 1 462 . 1 1 61 61 THR HG22 H 1 0.72 0.02 . 1 . . . . 40 THR HG2 . 15347 1 463 . 1 1 61 61 THR HG23 H 1 0.72 0.02 . 1 . . . . 40 THR HG2 . 15347 1 464 . 1 1 61 61 THR C C 13 174.9 0.2 . 1 . . . . 40 THR C . 15347 1 465 . 1 1 61 61 THR CA C 13 62.6 0.2 . 1 . . . . 40 THR CA . 15347 1 466 . 1 1 61 61 THR CB C 13 68.9 0.2 . 1 . . . . 40 THR CB . 15347 1 467 . 1 1 61 61 THR CG2 C 13 21.2 0.2 . 1 . . . . 40 THR CG2 . 15347 1 468 . 1 1 61 61 THR N N 15 112.7 0.2 . 1 . . . . 40 THR N . 15347 1 469 . 1 1 62 62 ASP H H 1 8.44 0.02 . 1 . . . . 41 ASP H . 15347 1 470 . 1 1 62 62 ASP HA H 1 4.95 0.02 . 1 . . . . 41 ASP HA . 15347 1 471 . 1 1 62 62 ASP HB2 H 1 2.46 0.02 . 2 . . . . 41 ASP HB2 . 15347 1 472 . 1 1 62 62 ASP HB3 H 1 2.82 0.02 . 2 . . . . 41 ASP HB3 . 15347 1 473 . 1 1 62 62 ASP C C 13 175.8 0.2 . 1 . . . . 41 ASP C . 15347 1 474 . 1 1 62 62 ASP CA C 13 52.4 0.2 . 1 . . . . 41 ASP CA . 15347 1 475 . 1 1 62 62 ASP CB C 13 38.9 0.2 . 1 . . . . 41 ASP CB . 15347 1 476 . 1 1 62 62 ASP N N 15 125.8 0.2 . 1 . . . . 41 ASP N . 15347 1 477 . 1 1 63 63 LYS H H 1 7.73 0.02 . 1 . . . . 42 LYS H . 15347 1 478 . 1 1 63 63 LYS HA H 1 4.06 0.02 . 1 . . . . 42 LYS HA . 15347 1 479 . 1 1 63 63 LYS HB2 H 1 1.75 0.02 . 2 . . . . 42 LYS HB2 . 15347 1 480 . 1 1 63 63 LYS HB3 H 1 1.87 0.02 . 2 . . . . 42 LYS HB3 . 15347 1 481 . 1 1 63 63 LYS HD2 H 1 1.65 0.02 . 2 . . . . 42 LYS HD2 . 15347 1 482 . 1 1 63 63 LYS HD3 H 1 1.71 0.02 . 2 . . . . 42 LYS HD3 . 15347 1 483 . 1 1 63 63 LYS HE2 H 1 3.03 0.02 . 2 . . . . 42 LYS HE2 . 15347 1 484 . 1 1 63 63 LYS HE3 H 1 3.07 0.02 . 2 . . . . 42 LYS HE3 . 15347 1 485 . 1 1 63 63 LYS HG2 H 1 1.43 0.02 . 2 . . . . 42 LYS HG2 . 15347 1 486 . 1 1 63 63 LYS HG3 H 1 1.54 0.02 . 2 . . . . 42 LYS HG3 . 15347 1 487 . 1 1 63 63 LYS C C 13 179.7 0.2 . 1 . . . . 42 LYS C . 15347 1 488 . 1 1 63 63 LYS CA C 13 58.6 0.2 . 1 . . . . 42 LYS CA . 15347 1 489 . 1 1 63 63 LYS CB C 13 32.3 0.2 . 1 . . . . 42 LYS CB . 15347 1 490 . 1 1 63 63 LYS CD C 13 29.1 0.2 . 1 . . . . 42 LYS CD . 15347 1 491 . 1 1 63 63 LYS CE C 13 42.5 0.2 . 1 . . . . 42 LYS CE . 15347 1 492 . 1 1 63 63 LYS CG C 13 25.3 0.2 . 1 . . . . 42 LYS CG . 15347 1 493 . 1 1 63 63 LYS N N 15 119.8 0.2 . 1 . . . . 42 LYS N . 15347 1 494 . 1 1 64 64 ALA H H 1 8.54 0.02 . 1 . . . . 43 ALA H . 15347 1 495 . 1 1 64 64 ALA HA H 1 4.18 0.02 . 1 . . . . 43 ALA HA . 15347 1 496 . 1 1 64 64 ALA HB1 H 1 1.47 0.02 . 1 . . . . 43 ALA HB . 15347 1 497 . 1 1 64 64 ALA HB2 H 1 1.47 0.02 . 1 . . . . 43 ALA HB . 15347 1 498 . 1 1 64 64 ALA HB3 H 1 1.47 0.02 . 1 . . . . 43 ALA HB . 15347 1 499 . 1 1 64 64 ALA C C 13 179.4 0.2 . 1 . . . . 43 ALA C . 15347 1 500 . 1 1 64 64 ALA CA C 13 54.4 0.2 . 1 . . . . 43 ALA CA . 15347 1 501 . 1 1 64 64 ALA CB C 13 18.3 0.2 . 1 . . . . 43 ALA CB . 15347 1 502 . 1 1 64 64 ALA N N 15 121.7 0.2 . 1 . . . . 43 ALA N . 15347 1 503 . 1 1 65 65 ARG H H 1 7.52 0.02 . 1 . . . . 44 ARG H . 15347 1 504 . 1 1 65 65 ARG HA H 1 4.30 0.02 . 1 . . . . 44 ARG HA . 15347 1 505 . 1 1 65 65 ARG HB2 H 1 1.62 0.02 . 2 . . . . 44 ARG HB2 . 15347 1 506 . 1 1 65 65 ARG HB3 H 1 2.22 0.02 . 2 . . . . 44 ARG HB3 . 15347 1 507 . 1 1 65 65 ARG HD2 H 1 3.04 0.02 . 2 . . . . 44 ARG HD2 . 15347 1 508 . 1 1 65 65 ARG HD3 H 1 3.22 0.02 . 2 . . . . 44 ARG HD3 . 15347 1 509 . 1 1 65 65 ARG HE H 1 7.70 0.02 . 1 . . . . 44 ARG HE . 15347 1 510 . 1 1 65 65 ARG HG2 H 1 1.43 0.02 . 2 . . . . 44 ARG HG2 . 15347 1 511 . 1 1 65 65 ARG HG3 H 1 1.83 0.02 . 2 . . . . 44 ARG HG3 . 15347 1 512 . 1 1 65 65 ARG C C 13 176.2 0.2 . 1 . . . . 44 ARG C . 15347 1 513 . 1 1 65 65 ARG CA C 13 56.3 0.2 . 1 . . . . 44 ARG CA . 15347 1 514 . 1 1 65 65 ARG CB C 13 29.7 0.2 . 1 . . . . 44 ARG CB . 15347 1 515 . 1 1 65 65 ARG CD C 13 43.0 0.2 . 1 . . . . 44 ARG CD . 15347 1 516 . 1 1 65 65 ARG CG C 13 27.7 0.2 . 1 . . . . 44 ARG CG . 15347 1 517 . 1 1 65 65 ARG CZ C 13 160.4 0.2 . 1 . . . . 44 ARG CZ . 15347 1 518 . 1 1 65 65 ARG N N 15 113.5 0.2 . 1 . . . . 44 ARG N . 15347 1 519 . 1 1 65 65 ARG NE N 15 82.5 0.2 . 1 . . . . 44 ARG NE . 15347 1 520 . 1 1 66 66 ILE H H 1 7.78 0.02 . 1 . . . . 45 ILE H . 15347 1 521 . 1 1 66 66 ILE HA H 1 3.31 0.02 . 1 . . . . 45 ILE HA . 15347 1 522 . 1 1 66 66 ILE HB H 1 1.87 0.02 . 1 . . . . 45 ILE HB . 15347 1 523 . 1 1 66 66 ILE HD11 H 1 0.86 0.02 . 1 . . . . 45 ILE HD1 . 15347 1 524 . 1 1 66 66 ILE HD12 H 1 0.86 0.02 . 1 . . . . 45 ILE HD1 . 15347 1 525 . 1 1 66 66 ILE HD13 H 1 0.86 0.02 . 1 . . . . 45 ILE HD1 . 15347 1 526 . 1 1 66 66 ILE HG12 H 1 0.73 0.02 . 2 . . . . 45 ILE HG12 . 15347 1 527 . 1 1 66 66 ILE HG13 H 1 1.90 0.02 . 2 . . . . 45 ILE HG13 . 15347 1 528 . 1 1 66 66 ILE HG21 H 1 0.71 0.02 . 1 . . . . 45 ILE HG2 . 15347 1 529 . 1 1 66 66 ILE HG22 H 1 0.71 0.02 . 1 . . . . 45 ILE HG2 . 15347 1 530 . 1 1 66 66 ILE HG23 H 1 0.71 0.02 . 1 . . . . 45 ILE HG2 . 15347 1 531 . 1 1 66 66 ILE C C 13 177.2 0.2 . 1 . . . . 45 ILE C . 15347 1 532 . 1 1 66 66 ILE CA C 13 66.4 0.2 . 1 . . . . 45 ILE CA . 15347 1 533 . 1 1 66 66 ILE CB C 13 37.4 0.2 . 1 . . . . 45 ILE CB . 15347 1 534 . 1 1 66 66 ILE CD1 C 13 14.1 0.2 . 1 . . . . 45 ILE CD1 . 15347 1 535 . 1 1 66 66 ILE CG1 C 13 32.1 0.2 . 1 . . . . 45 ILE CG1 . 15347 1 536 . 1 1 66 66 ILE CG2 C 13 17.5 0.2 . 1 . . . . 45 ILE CG2 . 15347 1 537 . 1 1 66 66 ILE N N 15 122.5 0.2 . 1 . . . . 45 ILE N . 15347 1 538 . 1 1 67 67 ALA H H 1 7.98 0.02 . 1 . . . . 46 ALA H . 15347 1 539 . 1 1 67 67 ALA HA H 1 4.26 0.02 . 1 . . . . 46 ALA HA . 15347 1 540 . 1 1 67 67 ALA HB1 H 1 1.39 0.02 . 1 . . . . 46 ALA HB . 15347 1 541 . 1 1 67 67 ALA HB2 H 1 1.39 0.02 . 1 . . . . 46 ALA HB . 15347 1 542 . 1 1 67 67 ALA HB3 H 1 1.39 0.02 . 1 . . . . 46 ALA HB . 15347 1 543 . 1 1 67 67 ALA C C 13 180.0 0.2 . 1 . . . . 46 ALA C . 15347 1 544 . 1 1 67 67 ALA CA C 13 54.9 0.2 . 1 . . . . 46 ALA CA . 15347 1 545 . 1 1 67 67 ALA CB C 13 18.0 0.2 . 1 . . . . 46 ALA CB . 15347 1 546 . 1 1 67 67 ALA N N 15 120.4 0.2 . 1 . . . . 46 ALA N . 15347 1 547 . 1 1 68 68 GLU H H 1 7.02 0.02 . 1 . . . . 47 GLU H . 15347 1 548 . 1 1 68 68 GLU HA H 1 3.91 0.02 . 1 . . . . 47 GLU HA . 15347 1 549 . 1 1 68 68 GLU HB2 H 1 2.24 0.02 . 2 . . . . 47 GLU HB2 . 15347 1 550 . 1 1 68 68 GLU HB3 H 1 2.33 0.02 . 2 . . . . 47 GLU HB3 . 15347 1 551 . 1 1 68 68 GLU HG2 H 1 2.18 0.02 . 2 . . . . 47 GLU HG2 . 15347 1 552 . 1 1 68 68 GLU HG3 H 1 2.29 0.02 . 2 . . . . 47 GLU HG3 . 15347 1 553 . 1 1 68 68 GLU C C 13 178.6 0.2 . 1 . . . . 47 GLU C . 15347 1 554 . 1 1 68 68 GLU CA C 13 58.8 0.2 . 1 . . . . 47 GLU CA . 15347 1 555 . 1 1 68 68 GLU CB C 13 30.3 0.2 . 1 . . . . 47 GLU CB . 15347 1 556 . 1 1 68 68 GLU CG C 13 36.0 0.2 . 1 . . . . 47 GLU CG . 15347 1 557 . 1 1 68 68 GLU N N 15 118.8 0.2 . 1 . . . . 47 GLU N . 15347 1 558 . 1 1 69 69 ALA H H 1 7.58 0.02 . 1 . . . . 48 ALA H . 15347 1 559 . 1 1 69 69 ALA HA H 1 3.50 0.02 . 1 . . . . 48 ALA HA . 15347 1 560 . 1 1 69 69 ALA HB1 H 1 0.37 0.02 . 1 . . . . 48 ALA HB . 15347 1 561 . 1 1 69 69 ALA HB2 H 1 0.37 0.02 . 1 . . . . 48 ALA HB . 15347 1 562 . 1 1 69 69 ALA HB3 H 1 0.37 0.02 . 1 . . . . 48 ALA HB . 15347 1 563 . 1 1 69 69 ALA C C 13 179.5 0.2 . 1 . . . . 48 ALA C . 15347 1 564 . 1 1 69 69 ALA CA C 13 55.3 0.2 . 1 . . . . 48 ALA CA . 15347 1 565 . 1 1 69 69 ALA CB C 13 15.2 0.2 . 1 . . . . 48 ALA CB . 15347 1 566 . 1 1 69 69 ALA N N 15 124.1 0.2 . 1 . . . . 48 ALA N . 15347 1 567 . 1 1 70 70 GLU H H 1 8.61 0.02 . 1 . . . . 49 GLU H . 15347 1 568 . 1 1 70 70 GLU HA H 1 4.00 0.02 . 1 . . . . 49 GLU HA . 15347 1 569 . 1 1 70 70 GLU HB2 H 1 1.96 0.02 . 2 . . . . 49 GLU HB2 . 15347 1 570 . 1 1 70 70 GLU HB3 H 1 2.05 0.02 . 2 . . . . 49 GLU HB3 . 15347 1 571 . 1 1 70 70 GLU HG2 H 1 1.98 0.02 . 2 . . . . 49 GLU HG2 . 15347 1 572 . 1 1 70 70 GLU HG3 H 1 2.38 0.02 . 2 . . . . 49 GLU HG3 . 15347 1 573 . 1 1 70 70 GLU C C 13 181.0 0.2 . 1 . . . . 49 GLU C . 15347 1 574 . 1 1 70 70 GLU CA C 13 60.1 0.2 . 1 . . . . 49 GLU CA . 15347 1 575 . 1 1 70 70 GLU CB C 13 30.0 0.2 . 1 . . . . 49 GLU CB . 15347 1 576 . 1 1 70 70 GLU CG C 13 37.9 0.2 . 1 . . . . 49 GLU CG . 15347 1 577 . 1 1 70 70 GLU N N 15 117.9 0.2 . 1 . . . . 49 GLU N . 15347 1 578 . 1 1 71 71 LYS H H 1 7.97 0.02 . 1 . . . . 50 LYS H . 15347 1 579 . 1 1 71 71 LYS HA H 1 4.03 0.02 . 1 . . . . 50 LYS HA . 15347 1 580 . 1 1 71 71 LYS HB2 H 1 1.90 0.02 . 2 . . . . 50 LYS HB2 . 15347 1 581 . 1 1 71 71 LYS HB3 H 1 1.92 0.02 . 2 . . . . 50 LYS HB3 . 15347 1 582 . 1 1 71 71 LYS HD2 H 1 1.63 0.02 . 2 . . . . 50 LYS HD2 . 15347 1 583 . 1 1 71 71 LYS HD3 H 1 1.65 0.02 . 2 . . . . 50 LYS HD3 . 15347 1 584 . 1 1 71 71 LYS HE2 H 1 2.92 0.02 . 2 . . . . 50 LYS HE2 . 15347 1 585 . 1 1 71 71 LYS HE3 H 1 2.94 0.02 . 2 . . . . 50 LYS HE3 . 15347 1 586 . 1 1 71 71 LYS HG2 H 1 1.47 0.02 . 2 . . . . 50 LYS HG2 . 15347 1 587 . 1 1 71 71 LYS HG3 H 1 1.57 0.02 . 2 . . . . 50 LYS HG3 . 15347 1 588 . 1 1 71 71 LYS C C 13 177.3 0.2 . 1 . . . . 50 LYS C . 15347 1 589 . 1 1 71 71 LYS CA C 13 58.7 0.2 . 1 . . . . 50 LYS CA . 15347 1 590 . 1 1 71 71 LYS CB C 13 32.2 0.2 . 1 . . . . 50 LYS CB . 15347 1 591 . 1 1 71 71 LYS CD C 13 29.3 0.2 . 1 . . . . 50 LYS CD . 15347 1 592 . 1 1 71 71 LYS CE C 13 42.2 0.2 . 1 . . . . 50 LYS CE . 15347 1 593 . 1 1 71 71 LYS CG C 13 25.2 0.2 . 1 . . . . 50 LYS CG . 15347 1 594 . 1 1 71 71 LYS N N 15 121.2 0.2 . 1 . . . . 50 LYS N . 15347 1 595 . 1 1 72 72 ALA H H 1 7.21 0.02 . 1 . . . . 51 ALA H . 15347 1 596 . 1 1 72 72 ALA HA H 1 4.39 0.02 . 1 . . . . 51 ALA HA . 15347 1 597 . 1 1 72 72 ALA HB1 H 1 1.47 0.02 . 1 . . . . 51 ALA HB . 15347 1 598 . 1 1 72 72 ALA HB2 H 1 1.47 0.02 . 1 . . . . 51 ALA HB . 15347 1 599 . 1 1 72 72 ALA HB3 H 1 1.47 0.02 . 1 . . . . 51 ALA HB . 15347 1 600 . 1 1 72 72 ALA C C 13 175.9 0.2 . 1 . . . . 51 ALA C . 15347 1 601 . 1 1 72 72 ALA CA C 13 51.9 0.2 . 1 . . . . 51 ALA CA . 15347 1 602 . 1 1 72 72 ALA CB C 13 19.1 0.2 . 1 . . . . 51 ALA CB . 15347 1 603 . 1 1 72 72 ALA N N 15 119.9 0.2 . 1 . . . . 51 ALA N . 15347 1 604 . 1 1 73 73 GLY H H 1 7.67 0.02 . 1 . . . . 52 GLY H . 15347 1 605 . 1 1 73 73 GLY HA2 H 1 3.62 0.02 . 2 . . . . 52 GLY HA2 . 15347 1 606 . 1 1 73 73 GLY HA3 H 1 4.15 0.02 . 2 . . . . 52 GLY HA3 . 15347 1 607 . 1 1 73 73 GLY C C 13 174.3 0.2 . 1 . . . . 52 GLY C . 15347 1 608 . 1 1 73 73 GLY CA C 13 44.8 0.2 . 1 . . . . 52 GLY CA . 15347 1 609 . 1 1 73 73 GLY N N 15 104.1 0.2 . 1 . . . . 52 GLY N . 15347 1 610 . 1 1 74 74 VAL H H 1 7.53 0.02 . 1 . . . . 53 VAL H . 15347 1 611 . 1 1 74 74 VAL HA H 1 4.13 0.02 . 1 . . . . 53 VAL HA . 15347 1 612 . 1 1 74 74 VAL HB H 1 1.31 0.02 . 1 . . . . 53 VAL HB . 15347 1 613 . 1 1 74 74 VAL HG11 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 15347 1 614 . 1 1 74 74 VAL HG12 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 15347 1 615 . 1 1 74 74 VAL HG13 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 15347 1 616 . 1 1 74 74 VAL HG21 H 1 0.53 0.02 . 1 . . . . 53 VAL HG2 . 15347 1 617 . 1 1 74 74 VAL HG22 H 1 0.53 0.02 . 1 . . . . 53 VAL HG2 . 15347 1 618 . 1 1 74 74 VAL HG23 H 1 0.53 0.02 . 1 . . . . 53 VAL HG2 . 15347 1 619 . 1 1 74 74 VAL C C 13 176.5 0.2 . 1 . . . . 53 VAL C . 15347 1 620 . 1 1 74 74 VAL CA C 13 62.8 0.2 . 1 . . . . 53 VAL CA . 15347 1 621 . 1 1 74 74 VAL CB C 13 30.8 0.2 . 1 . . . . 53 VAL CB . 15347 1 622 . 1 1 74 74 VAL CG1 C 13 22.3 0.2 . 1 . . . . 53 VAL CG1 . 15347 1 623 . 1 1 74 74 VAL CG2 C 13 22.9 0.2 . 1 . . . . 53 VAL CG2 . 15347 1 624 . 1 1 74 74 VAL N N 15 120.4 0.2 . 1 . . . . 53 VAL N . 15347 1 625 . 1 1 75 75 LYS H H 1 12.46 0.02 . 1 . . . . 54 LYS H . 15347 1 626 . 1 1 75 75 LYS HA H 1 4.46 0.02 . 1 . . . . 54 LYS HA . 15347 1 627 . 1 1 75 75 LYS HB2 H 1 1.49 0.02 . 2 . . . . 54 LYS HB2 . 15347 1 628 . 1 1 75 75 LYS HB3 H 1 1.78 0.02 . 2 . . . . 54 LYS HB3 . 15347 1 629 . 1 1 75 75 LYS HD2 H 1 1.50 0.02 . 2 . . . . 54 LYS HD2 . 15347 1 630 . 1 1 75 75 LYS HD3 H 1 1.53 0.02 . 2 . . . . 54 LYS HD3 . 15347 1 631 . 1 1 75 75 LYS HE2 H 1 2.82 0.02 . 2 . . . . 54 LYS HE2 . 15347 1 632 . 1 1 75 75 LYS HE3 H 1 2.84 0.02 . 2 . . . . 54 LYS HE3 . 15347 1 633 . 1 1 75 75 LYS HG2 H 1 1.39 0.02 . 2 . . . . 54 LYS HG2 . 15347 1 634 . 1 1 75 75 LYS HG3 H 1 1.41 0.02 . 2 . . . . 54 LYS HG3 . 15347 1 635 . 1 1 75 75 LYS C C 13 177.5 0.2 . 1 . . . . 54 LYS C . 15347 1 636 . 1 1 75 75 LYS CA C 13 55.2 0.2 . 1 . . . . 54 LYS CA . 15347 1 637 . 1 1 75 75 LYS CB C 13 33.8 0.2 . 1 . . . . 54 LYS CB . 15347 1 638 . 1 1 75 75 LYS CD C 13 28.4 0.2 . 1 . . . . 54 LYS CD . 15347 1 639 . 1 1 75 75 LYS CE C 13 42.1 0.2 . 1 . . . . 54 LYS CE . 15347 1 640 . 1 1 75 75 LYS CG C 13 24.2 0.2 . 1 . . . . 54 LYS CG . 15347 1 641 . 1 1 75 75 LYS N N 15 129.8 0.2 . 1 . . . . 54 LYS N . 15347 1 642 . 1 1 76 76 SER H H 1 8.02 0.02 . 1 . . . . 55 SER H . 15347 1 643 . 1 1 76 76 SER HA H 1 4.73 0.02 . 1 . . . . 55 SER HA . 15347 1 644 . 1 1 76 76 SER HB2 H 1 3.54 0.02 . 2 . . . . 55 SER HB2 . 15347 1 645 . 1 1 76 76 SER HB3 H 1 3.75 0.02 . 2 . . . . 55 SER HB3 . 15347 1 646 . 1 1 76 76 SER HG H 1 6.15 0.02 . 1 . . . . 55 SER HG . 15347 1 647 . 1 1 76 76 SER C C 13 170.7 0.2 . 1 . . . . 55 SER C . 15347 1 648 . 1 1 76 76 SER CA C 13 57.2 0.2 . 1 . . . . 55 SER CA . 15347 1 649 . 1 1 76 76 SER CB C 13 65.4 0.2 . 1 . . . . 55 SER CB . 15347 1 650 . 1 1 76 76 SER N N 15 115.8 0.2 . 1 . . . . 55 SER N . 15347 1 651 . 1 1 77 77 VAL H H 1 8.52 0.02 . 1 . . . . 56 VAL H . 15347 1 652 . 1 1 77 77 VAL HA H 1 4.49 0.02 . 1 . . . . 56 VAL HA . 15347 1 653 . 1 1 77 77 VAL HB H 1 2.03 0.02 . 1 . . . . 56 VAL HB . 15347 1 654 . 1 1 77 77 VAL HG11 H 1 0.45 0.02 . 1 . . . . 56 VAL HG1 . 15347 1 655 . 1 1 77 77 VAL HG12 H 1 0.45 0.02 . 1 . . . . 56 VAL HG1 . 15347 1 656 . 1 1 77 77 VAL HG13 H 1 0.45 0.02 . 1 . . . . 56 VAL HG1 . 15347 1 657 . 1 1 77 77 VAL HG21 H 1 0.69 0.02 . 1 . . . . 56 VAL HG2 . 15347 1 658 . 1 1 77 77 VAL HG22 H 1 0.69 0.02 . 1 . . . . 56 VAL HG2 . 15347 1 659 . 1 1 77 77 VAL HG23 H 1 0.69 0.02 . 1 . . . . 56 VAL HG2 . 15347 1 660 . 1 1 77 77 VAL CA C 13 56.2 0.2 . 1 . . . . 56 VAL CA . 15347 1 661 . 1 1 77 77 VAL CB C 13 32.9 0.2 . 1 . . . . 56 VAL CB . 15347 1 662 . 1 1 77 77 VAL CG1 C 13 22.1 0.2 . 1 . . . . 56 VAL CG1 . 15347 1 663 . 1 1 77 77 VAL CG2 C 13 18.8 0.2 . 1 . . . . 56 VAL CG2 . 15347 1 664 . 1 1 77 77 VAL N N 15 106.1 0.2 . 1 . . . . 56 VAL N . 15347 1 665 . 1 1 78 78 PRO HA H 1 5.13 0.02 . 1 . . . . 57 PRO HA . 15347 1 666 . 1 1 78 78 PRO HB2 H 1 1.93 0.02 . 2 . . . . 57 PRO HB2 . 15347 1 667 . 1 1 78 78 PRO HB3 H 1 2.41 0.02 . 2 . . . . 57 PRO HB3 . 15347 1 668 . 1 1 78 78 PRO HD2 H 1 3.56 0.02 . 2 . . . . 57 PRO HD2 . 15347 1 669 . 1 1 78 78 PRO HD3 H 1 3.80 0.02 . 2 . . . . 57 PRO HD3 . 15347 1 670 . 1 1 78 78 PRO HG2 H 1 1.95 0.02 . 2 . . . . 57 PRO HG2 . 15347 1 671 . 1 1 78 78 PRO HG3 H 1 2.88 0.02 . 2 . . . . 57 PRO HG3 . 15347 1 672 . 1 1 78 78 PRO C C 13 176.4 0.2 . 1 . . . . 57 PRO C . 15347 1 673 . 1 1 78 78 PRO CA C 13 62.2 0.2 . 1 . . . . 57 PRO CA . 15347 1 674 . 1 1 78 78 PRO CB C 13 36.0 0.2 . 1 . . . . 57 PRO CB . 15347 1 675 . 1 1 78 78 PRO CD C 13 50.3 0.2 . 1 . . . . 57 PRO CD . 15347 1 676 . 1 1 78 78 PRO CG C 13 24.1 0.2 . 1 . . . . 57 PRO CG . 15347 1 677 . 1 1 79 79 ALA H H 1 8.68 0.02 . 1 . . . . 58 ALA H . 15347 1 678 . 1 1 79 79 ALA HA H 1 5.04 0.02 . 1 . . . . 58 ALA HA . 15347 1 679 . 1 1 79 79 ALA HB1 H 1 1.33 0.02 . 1 . . . . 58 ALA HB . 15347 1 680 . 1 1 79 79 ALA HB2 H 1 1.33 0.02 . 1 . . . . 58 ALA HB . 15347 1 681 . 1 1 79 79 ALA HB3 H 1 1.33 0.02 . 1 . . . . 58 ALA HB . 15347 1 682 . 1 1 79 79 ALA C C 13 174.0 0.2 . 1 . . . . 58 ALA C . 15347 1 683 . 1 1 79 79 ALA CA C 13 52.1 0.2 . 1 . . . . 58 ALA CA . 15347 1 684 . 1 1 79 79 ALA CB C 13 23.6 0.2 . 1 . . . . 58 ALA CB . 15347 1 685 . 1 1 79 79 ALA N N 15 122.8 0.2 . 1 . . . . 58 ALA N . 15347 1 686 . 1 1 80 80 LEU H H 1 8.93 0.02 . 1 . . . . 59 LEU H . 15347 1 687 . 1 1 80 80 LEU HA H 1 5.54 0.02 . 1 . . . . 59 LEU HA . 15347 1 688 . 1 1 80 80 LEU HB2 H 1 1.51 0.02 . 2 . . . . 59 LEU HB2 . 15347 1 689 . 1 1 80 80 LEU HB3 H 1 1.75 0.02 . 2 . . . . 59 LEU HB3 . 15347 1 690 . 1 1 80 80 LEU HD11 H 1 0.73 0.02 . 1 . . . . 59 LEU HD1 . 15347 1 691 . 1 1 80 80 LEU HD12 H 1 0.73 0.02 . 1 . . . . 59 LEU HD1 . 15347 1 692 . 1 1 80 80 LEU HD13 H 1 0.73 0.02 . 1 . . . . 59 LEU HD1 . 15347 1 693 . 1 1 80 80 LEU HD21 H 1 0.70 0.02 . 1 . . . . 59 LEU HD2 . 15347 1 694 . 1 1 80 80 LEU HD22 H 1 0.70 0.02 . 1 . . . . 59 LEU HD2 . 15347 1 695 . 1 1 80 80 LEU HD23 H 1 0.70 0.02 . 1 . . . . 59 LEU HD2 . 15347 1 696 . 1 1 80 80 LEU HG H 1 1.58 0.02 . 1 . . . . 59 LEU HG . 15347 1 697 . 1 1 80 80 LEU C C 13 175.3 0.2 . 1 . . . . 59 LEU C . 15347 1 698 . 1 1 80 80 LEU CA C 13 52.7 0.2 . 1 . . . . 59 LEU CA . 15347 1 699 . 1 1 80 80 LEU CB C 13 46.8 0.2 . 1 . . . . 59 LEU CB . 15347 1 700 . 1 1 80 80 LEU CD1 C 13 24.7 0.2 . 1 . . . . 59 LEU CD1 . 15347 1 701 . 1 1 80 80 LEU CD2 C 13 25.7 0.2 . 1 . . . . 59 LEU CD2 . 15347 1 702 . 1 1 80 80 LEU CG C 13 27.4 0.2 . 1 . . . . 59 LEU CG . 15347 1 703 . 1 1 80 80 LEU N N 15 122.7 0.2 . 1 . . . . 59 LEU N . 15347 1 704 . 1 1 81 81 VAL H H 1 9.83 0.02 . 1 . . . . 60 VAL H . 15347 1 705 . 1 1 81 81 VAL HA H 1 5.15 0.02 . 1 . . . . 60 VAL HA . 15347 1 706 . 1 1 81 81 VAL HB H 1 1.98 0.02 . 1 . . . . 60 VAL HB . 15347 1 707 . 1 1 81 81 VAL HG11 H 1 0.81 0.02 . 1 . . . . 60 VAL HG1 . 15347 1 708 . 1 1 81 81 VAL HG12 H 1 0.81 0.02 . 1 . . . . 60 VAL HG1 . 15347 1 709 . 1 1 81 81 VAL HG13 H 1 0.81 0.02 . 1 . . . . 60 VAL HG1 . 15347 1 710 . 1 1 81 81 VAL HG21 H 1 0.87 0.02 . 1 . . . . 60 VAL HG2 . 15347 1 711 . 1 1 81 81 VAL HG22 H 1 0.87 0.02 . 1 . . . . 60 VAL HG2 . 15347 1 712 . 1 1 81 81 VAL HG23 H 1 0.87 0.02 . 1 . . . . 60 VAL HG2 . 15347 1 713 . 1 1 81 81 VAL C C 13 175.7 0.2 . 1 . . . . 60 VAL C . 15347 1 714 . 1 1 81 81 VAL CA C 13 61.6 0.2 . 1 . . . . 60 VAL CA . 15347 1 715 . 1 1 81 81 VAL CB C 13 32.8 0.2 . 1 . . . . 60 VAL CB . 15347 1 716 . 1 1 81 81 VAL CG1 C 13 20.5 0.2 . 1 . . . . 60 VAL CG1 . 15347 1 717 . 1 1 81 81 VAL CG2 C 13 22.3 0.2 . 1 . . . . 60 VAL CG2 . 15347 1 718 . 1 1 81 81 VAL N N 15 126.6 0.2 . 1 . . . . 60 VAL N . 15347 1 719 . 1 1 82 82 ILE H H 1 8.74 0.02 . 1 . . . . 61 ILE H . 15347 1 720 . 1 1 82 82 ILE HA H 1 4.21 0.02 . 1 . . . . 61 ILE HA . 15347 1 721 . 1 1 82 82 ILE HB H 1 1.51 0.02 . 1 . . . . 61 ILE HB . 15347 1 722 . 1 1 82 82 ILE HD11 H 1 0.16 0.02 . 1 . . . . 61 ILE HD1 . 15347 1 723 . 1 1 82 82 ILE HD12 H 1 0.16 0.02 . 1 . . . . 61 ILE HD1 . 15347 1 724 . 1 1 82 82 ILE HD13 H 1 0.16 0.02 . 1 . . . . 61 ILE HD1 . 15347 1 725 . 1 1 82 82 ILE HG12 H 1 0.41 0.02 . 2 . . . . 61 ILE HG12 . 15347 1 726 . 1 1 82 82 ILE HG13 H 1 1.20 0.02 . 2 . . . . 61 ILE HG13 . 15347 1 727 . 1 1 82 82 ILE HG21 H 1 0.58 0.02 . 1 . . . . 61 ILE HG2 . 15347 1 728 . 1 1 82 82 ILE HG22 H 1 0.58 0.02 . 1 . . . . 61 ILE HG2 . 15347 1 729 . 1 1 82 82 ILE HG23 H 1 0.58 0.02 . 1 . . . . 61 ILE HG2 . 15347 1 730 . 1 1 82 82 ILE C C 13 175.0 0.2 . 1 . . . . 61 ILE C . 15347 1 731 . 1 1 82 82 ILE CA C 13 60.3 0.2 . 1 . . . . 61 ILE CA . 15347 1 732 . 1 1 82 82 ILE CB C 13 41.9 0.2 . 1 . . . . 61 ILE CB . 15347 1 733 . 1 1 82 82 ILE CD1 C 13 13.1 0.2 . 1 . . . . 61 ILE CD1 . 15347 1 734 . 1 1 82 82 ILE CG1 C 13 27.9 0.2 . 1 . . . . 61 ILE CG1 . 15347 1 735 . 1 1 82 82 ILE CG2 C 13 17.1 0.2 . 1 . . . . 61 ILE CG2 . 15347 1 736 . 1 1 82 82 ILE N N 15 128.0 0.2 . 1 . . . . 61 ILE N . 15347 1 737 . 1 1 83 83 ASP H H 1 9.54 0.02 . 1 . . . . 62 ASP H . 15347 1 738 . 1 1 83 83 ASP HA H 1 4.35 0.02 . 1 . . . . 62 ASP HA . 15347 1 739 . 1 1 83 83 ASP HB2 H 1 2.67 0.02 . 2 . . . . 62 ASP HB2 . 15347 1 740 . 1 1 83 83 ASP HB3 H 1 3.07 0.02 . 2 . . . . 62 ASP HB3 . 15347 1 741 . 1 1 83 83 ASP C C 13 176.1 0.2 . 1 . . . . 62 ASP C . 15347 1 742 . 1 1 83 83 ASP CA C 13 55.2 0.2 . 1 . . . . 62 ASP CA . 15347 1 743 . 1 1 83 83 ASP CB C 13 39.8 0.2 . 1 . . . . 62 ASP CB . 15347 1 744 . 1 1 83 83 ASP N N 15 128.7 0.2 . 1 . . . . 62 ASP N . 15347 1 745 . 1 1 84 84 GLY H H 1 8.48 0.02 . 1 . . . . 63 GLY H . 15347 1 746 . 1 1 84 84 GLY HA2 H 1 3.50 0.02 . 2 . . . . 63 GLY HA2 . 15347 1 747 . 1 1 84 84 GLY HA3 H 1 4.06 0.02 . 2 . . . . 63 GLY HA3 . 15347 1 748 . 1 1 84 84 GLY C C 13 172.5 0.2 . 1 . . . . 63 GLY C . 15347 1 749 . 1 1 84 84 GLY CA C 13 45.6 0.2 . 1 . . . . 63 GLY CA . 15347 1 750 . 1 1 84 84 GLY N N 15 102.4 0.2 . 1 . . . . 63 GLY N . 15347 1 751 . 1 1 85 85 ALA H H 1 7.87 0.02 . 1 . . . . 64 ALA H . 15347 1 752 . 1 1 85 85 ALA HA H 1 4.68 0.02 . 1 . . . . 64 ALA HA . 15347 1 753 . 1 1 85 85 ALA HB1 H 1 1.25 0.02 . 1 . . . . 64 ALA HB . 15347 1 754 . 1 1 85 85 ALA HB2 H 1 1.25 0.02 . 1 . . . . 64 ALA HB . 15347 1 755 . 1 1 85 85 ALA HB3 H 1 1.25 0.02 . 1 . . . . 64 ALA HB . 15347 1 756 . 1 1 85 85 ALA C C 13 173.9 0.2 . 1 . . . . 64 ALA C . 15347 1 757 . 1 1 85 85 ALA CA C 13 50.4 0.2 . 1 . . . . 64 ALA CA . 15347 1 758 . 1 1 85 85 ALA CB C 13 21.6 0.2 . 1 . . . . 64 ALA CB . 15347 1 759 . 1 1 85 85 ALA N N 15 123.9 0.2 . 1 . . . . 64 ALA N . 15347 1 760 . 1 1 86 86 ALA H H 1 8.02 0.02 . 1 . . . . 65 ALA H . 15347 1 761 . 1 1 86 86 ALA HA H 1 4.47 0.02 . 1 . . . . 65 ALA HA . 15347 1 762 . 1 1 86 86 ALA HB1 H 1 0.85 0.02 . 1 . . . . 65 ALA HB . 15347 1 763 . 1 1 86 86 ALA HB2 H 1 0.85 0.02 . 1 . . . . 65 ALA HB . 15347 1 764 . 1 1 86 86 ALA HB3 H 1 0.85 0.02 . 1 . . . . 65 ALA HB . 15347 1 765 . 1 1 86 86 ALA C C 13 176.8 0.2 . 1 . . . . 65 ALA C . 15347 1 766 . 1 1 86 86 ALA CA C 13 51.3 0.2 . 1 . . . . 65 ALA CA . 15347 1 767 . 1 1 86 86 ALA CB C 13 20.1 0.2 . 1 . . . . 65 ALA CB . 15347 1 768 . 1 1 86 86 ALA N N 15 120.6 0.2 . 1 . . . . 65 ALA N . 15347 1 769 . 1 1 87 87 PHE H H 1 9.28 0.02 . 1 . . . . 66 PHE H . 15347 1 770 . 1 1 87 87 PHE HA H 1 4.50 0.02 . 1 . . . . 66 PHE HA . 15347 1 771 . 1 1 87 87 PHE HB2 H 1 2.58 0.02 . 2 . . . . 66 PHE HB2 . 15347 1 772 . 1 1 87 87 PHE HB3 H 1 3.04 0.02 . 2 . . . . 66 PHE HB3 . 15347 1 773 . 1 1 87 87 PHE HD1 H 1 7.00 0.02 . 3 . . . . 66 PHE HD1 . 15347 1 774 . 1 1 87 87 PHE HE1 H 1 7.18 0.02 . 3 . . . . 66 PHE HE1 . 15347 1 775 . 1 1 87 87 PHE HZ H 1 7.03 0.02 . 1 . . . . 66 PHE HZ . 15347 1 776 . 1 1 87 87 PHE C C 13 174.2 0.2 . 1 . . . . 66 PHE C . 15347 1 777 . 1 1 87 87 PHE CA C 13 57.6 0.2 . 1 . . . . 66 PHE CA . 15347 1 778 . 1 1 87 87 PHE CB C 13 38.3 0.2 . 1 . . . . 66 PHE CB . 15347 1 779 . 1 1 87 87 PHE CD1 C 13 131.8 0.2 . 3 . . . . 66 PHE CD1 . 15347 1 780 . 1 1 87 87 PHE CE1 C 13 131.5 0.2 . 3 . . . . 66 PHE CE1 . 15347 1 781 . 1 1 87 87 PHE CZ C 13 130.7 0.2 . 1 . . . . 66 PHE CZ . 15347 1 782 . 1 1 87 87 PHE N N 15 123.1 0.2 . 1 . . . . 66 PHE N . 15347 1 783 . 1 1 88 88 HIS H H 1 8.97 0.02 . 1 . . . . 67 HIS H . 15347 1 784 . 1 1 88 88 HIS HA H 1 4.28 0.02 . 1 . . . . 67 HIS HA . 15347 1 785 . 1 1 88 88 HIS HB2 H 1 3.23 0.02 . 2 . . . . 67 HIS HB2 . 15347 1 786 . 1 1 88 88 HIS HB3 H 1 3.43 0.02 . 2 . . . . 67 HIS HB3 . 15347 1 787 . 1 1 88 88 HIS HD1 H 1 10.75 0.02 . 1 . . . . 67 HIS HD1 . 15347 1 788 . 1 1 88 88 HIS HD2 H 1 7.63 0.02 . 1 . . . . 67 HIS HD2 . 15347 1 789 . 1 1 88 88 HIS HE1 H 1 7.62 0.02 . 1 . . . . 67 HIS HE1 . 15347 1 790 . 1 1 88 88 HIS C C 13 175.1 0.2 . 1 . . . . 67 HIS C . 15347 1 791 . 1 1 88 88 HIS CA C 13 59.8 0.2 . 1 . . . . 67 HIS CA . 15347 1 792 . 1 1 88 88 HIS CB C 13 28.4 0.2 . 1 . . . . 67 HIS CB . 15347 1 793 . 1 1 88 88 HIS CD2 C 13 129.3 0.2 . 1 . . . . 67 HIS CD2 . 15347 1 794 . 1 1 88 88 HIS CE1 C 13 137.7 0.2 . 1 . . . . 67 HIS CE1 . 15347 1 795 . 1 1 88 88 HIS N N 15 126.4 0.2 . 1 . . . . 67 HIS N . 15347 1 796 . 1 1 88 88 HIS ND1 N 15 167.3 0.2 . 1 . . . . 67 HIS ND1 . 15347 1 797 . 1 1 88 88 HIS NE2 N 15 250.2 0.2 . 1 . . . . 67 HIS NE2 . 15347 1 798 . 1 1 89 89 ILE H H 1 8.01 0.02 . 1 . . . . 68 ILE H . 15347 1 799 . 1 1 89 89 ILE HA H 1 5.13 0.02 . 1 . . . . 68 ILE HA . 15347 1 800 . 1 1 89 89 ILE HB H 1 1.71 0.02 . 1 . . . . 68 ILE HB . 15347 1 801 . 1 1 89 89 ILE HD11 H 1 0.83 0.02 . 1 . . . . 68 ILE HD1 . 15347 1 802 . 1 1 89 89 ILE HD12 H 1 0.83 0.02 . 1 . . . . 68 ILE HD1 . 15347 1 803 . 1 1 89 89 ILE HD13 H 1 0.83 0.02 . 1 . . . . 68 ILE HD1 . 15347 1 804 . 1 1 89 89 ILE HG12 H 1 1.12 0.02 . 2 . . . . 68 ILE HG12 . 15347 1 805 . 1 1 89 89 ILE HG13 H 1 1.75 0.02 . 2 . . . . 68 ILE HG13 . 15347 1 806 . 1 1 89 89 ILE HG21 H 1 1.08 0.02 . 1 . . . . 68 ILE HG2 . 15347 1 807 . 1 1 89 89 ILE HG22 H 1 1.08 0.02 . 1 . . . . 68 ILE HG2 . 15347 1 808 . 1 1 89 89 ILE HG23 H 1 1.08 0.02 . 1 . . . . 68 ILE HG2 . 15347 1 809 . 1 1 89 89 ILE C C 13 173.5 0.2 . 1 . . . . 68 ILE C . 15347 1 810 . 1 1 89 89 ILE CA C 13 59.0 0.2 . 1 . . . . 68 ILE CA . 15347 1 811 . 1 1 89 89 ILE CB C 13 38.9 0.2 . 1 . . . . 68 ILE CB . 15347 1 812 . 1 1 89 89 ILE CD1 C 13 13.8 0.2 . 1 . . . . 68 ILE CD1 . 15347 1 813 . 1 1 89 89 ILE CG1 C 13 26.6 0.2 . 1 . . . . 68 ILE CG1 . 15347 1 814 . 1 1 89 89 ILE CG2 C 13 19.9 0.2 . 1 . . . . 68 ILE CG2 . 15347 1 815 . 1 1 89 89 ILE N N 15 124.9 0.2 . 1 . . . . 68 ILE N . 15347 1 816 . 1 1 90 90 ASN H H 1 9.19 0.02 . 1 . . . . 69 ASN H . 15347 1 817 . 1 1 90 90 ASN HA H 1 4.78 0.02 . 1 . . . . 69 ASN HA . 15347 1 818 . 1 1 90 90 ASN HB2 H 1 3.07 0.02 . 2 . . . . 69 ASN HB2 . 15347 1 819 . 1 1 90 90 ASN HB3 H 1 3.36 0.02 . 2 . . . . 69 ASN HB3 . 15347 1 820 . 1 1 90 90 ASN HD21 H 1 7.13 0.02 . 2 . . . . 69 ASN HD21 . 15347 1 821 . 1 1 90 90 ASN HD22 H 1 8.21 0.02 . 2 . . . . 69 ASN HD22 . 15347 1 822 . 1 1 90 90 ASN CA C 13 54.5 0.2 . 1 . . . . 69 ASN CA . 15347 1 823 . 1 1 90 90 ASN CB C 13 37.7 0.2 . 1 . . . . 69 ASN CB . 15347 1 824 . 1 1 90 90 ASN CG C 13 177.5 0.2 . 1 . . . . 69 ASN CG . 15347 1 825 . 1 1 90 90 ASN N N 15 119.0 0.2 . 1 . . . . 69 ASN N . 15347 1 826 . 1 1 90 90 ASN ND2 N 15 114.4 0.2 . 1 . . . . 69 ASN ND2 . 15347 1 827 . 1 1 91 91 PHE HA H 1 4.32 0.02 . 1 . . . . 70 PHE HA . 15347 1 828 . 1 1 91 91 PHE HB2 H 1 2.92 0.02 . 2 . . . . 70 PHE HB2 . 15347 1 829 . 1 1 91 91 PHE HB3 H 1 2.98 0.02 . 2 . . . . 70 PHE HB3 . 15347 1 830 . 1 1 91 91 PHE HD1 H 1 7.06 0.02 . 3 . . . . 70 PHE HD1 . 15347 1 831 . 1 1 91 91 PHE C C 13 172.5 0.2 . 1 . . . . 70 PHE C . 15347 1 832 . 1 1 91 91 PHE CA C 13 60.7 0.2 . 1 . . . . 70 PHE CA . 15347 1 833 . 1 1 91 91 PHE CB C 13 40.9 0.2 . 1 . . . . 70 PHE CB . 15347 1 834 . 1 1 91 91 PHE CD1 C 13 131.5 0.2 . 3 . . . . 70 PHE CD1 . 15347 1 835 . 1 1 92 92 GLY H H 1 8.71 0.02 . 1 . . . . 71 GLY H . 15347 1 836 . 1 1 92 92 GLY HA2 H 1 3.54 0.02 . 2 . . . . 71 GLY HA2 . 15347 1 837 . 1 1 92 92 GLY HA3 H 1 4.20 0.02 . 2 . . . . 71 GLY HA3 . 15347 1 838 . 1 1 92 92 GLY C C 13 172.1 0.2 . 1 . . . . 71 GLY C . 15347 1 839 . 1 1 92 92 GLY CA C 13 46.6 0.2 . 1 . . . . 71 GLY CA . 15347 1 840 . 1 1 92 92 GLY N N 15 121.3 0.2 . 1 . . . . 71 GLY N . 15347 1 841 . 1 1 93 93 ALA H H 1 7.47 0.02 . 1 . . . . 72 ALA H . 15347 1 842 . 1 1 93 93 ALA HA H 1 4.18 0.02 . 1 . . . . 72 ALA HA . 15347 1 843 . 1 1 93 93 ALA HB1 H 1 1.14 0.02 . 1 . . . . 72 ALA HB . 15347 1 844 . 1 1 93 93 ALA HB2 H 1 1.14 0.02 . 1 . . . . 72 ALA HB . 15347 1 845 . 1 1 93 93 ALA HB3 H 1 1.14 0.02 . 1 . . . . 72 ALA HB . 15347 1 846 . 1 1 93 93 ALA C C 13 175.7 0.2 . 1 . . . . 72 ALA C . 15347 1 847 . 1 1 93 93 ALA CA C 13 51.6 0.2 . 1 . . . . 72 ALA CA . 15347 1 848 . 1 1 93 93 ALA CB C 13 21.6 0.2 . 1 . . . . 72 ALA CB . 15347 1 849 . 1 1 93 93 ALA N N 15 121.3 0.2 . 1 . . . . 72 ALA N . 15347 1 850 . 1 1 94 94 GLY H H 1 9.07 0.02 . 1 . . . . 73 GLY H . 15347 1 851 . 1 1 94 94 GLY HA2 H 1 3.98 0.02 . 2 . . . . 73 GLY HA2 . 15347 1 852 . 1 1 94 94 GLY HA3 H 1 4.07 0.02 . 2 . . . . 73 GLY HA3 . 15347 1 853 . 1 1 94 94 GLY C C 13 174.7 0.2 . 1 . . . . 73 GLY C . 15347 1 854 . 1 1 94 94 GLY CA C 13 44.7 0.2 . 1 . . . . 73 GLY CA . 15347 1 855 . 1 1 94 94 GLY N N 15 109.3 0.2 . 1 . . . . 73 GLY N . 15347 1 856 . 1 1 95 95 ILE H H 1 7.76 0.02 . 1 . . . . 74 ILE H . 15347 1 857 . 1 1 95 95 ILE HA H 1 3.68 0.02 . 1 . . . . 74 ILE HA . 15347 1 858 . 1 1 95 95 ILE HB H 1 1.38 0.02 . 1 . . . . 74 ILE HB . 15347 1 859 . 1 1 95 95 ILE HD11 H 1 0.43 0.02 . 1 . . . . 74 ILE HD1 . 15347 1 860 . 1 1 95 95 ILE HD12 H 1 0.43 0.02 . 1 . . . . 74 ILE HD1 . 15347 1 861 . 1 1 95 95 ILE HD13 H 1 0.43 0.02 . 1 . . . . 74 ILE HD1 . 15347 1 862 . 1 1 95 95 ILE HG12 H 1 0.96 0.02 . 2 . . . . 74 ILE HG12 . 15347 1 863 . 1 1 95 95 ILE HG13 H 1 1.21 0.02 . 2 . . . . 74 ILE HG13 . 15347 1 864 . 1 1 95 95 ILE HG21 H 1 0.79 0.02 . 1 . . . . 74 ILE HG2 . 15347 1 865 . 1 1 95 95 ILE HG22 H 1 0.79 0.02 . 1 . . . . 74 ILE HG2 . 15347 1 866 . 1 1 95 95 ILE HG23 H 1 0.79 0.02 . 1 . . . . 74 ILE HG2 . 15347 1 867 . 1 1 95 95 ILE C C 13 176.8 0.2 . 1 . . . . 74 ILE C . 15347 1 868 . 1 1 95 95 ILE CA C 13 62.4 0.2 . 1 . . . . 74 ILE CA . 15347 1 869 . 1 1 95 95 ILE CB C 13 37.8 0.2 . 1 . . . . 74 ILE CB . 15347 1 870 . 1 1 95 95 ILE CD1 C 13 12.4 0.2 . 1 . . . . 74 ILE CD1 . 15347 1 871 . 1 1 95 95 ILE CG1 C 13 28.4 0.2 . 1 . . . . 74 ILE CG1 . 15347 1 872 . 1 1 95 95 ILE CG2 C 13 17.8 0.2 . 1 . . . . 74 ILE CG2 . 15347 1 873 . 1 1 95 95 ILE N N 15 123.8 0.2 . 1 . . . . 74 ILE N . 15347 1 874 . 1 1 96 96 ASP H H 1 8.60 0.02 . 1 . . . . 75 ASP H . 15347 1 875 . 1 1 96 96 ASP HA H 1 4.20 0.02 . 1 . . . . 75 ASP HA . 15347 1 876 . 1 1 96 96 ASP HB2 H 1 2.57 0.02 . 2 . . . . 75 ASP HB2 . 15347 1 877 . 1 1 96 96 ASP HB3 H 1 2.64 0.02 . 2 . . . . 75 ASP HB3 . 15347 1 878 . 1 1 96 96 ASP C C 13 178.7 0.2 . 1 . . . . 75 ASP C . 15347 1 879 . 1 1 96 96 ASP CA C 13 57.1 0.2 . 1 . . . . 75 ASP CA . 15347 1 880 . 1 1 96 96 ASP CB C 13 39.7 0.2 . 1 . . . . 75 ASP CB . 15347 1 881 . 1 1 96 96 ASP N N 15 118.8 0.2 . 1 . . . . 75 ASP N . 15347 1 882 . 1 1 97 97 ASP H H 1 7.44 0.02 . 1 . . . . 76 ASP H . 15347 1 883 . 1 1 97 97 ASP HA H 1 4.43 0.02 . 1 . . . . 76 ASP HA . 15347 1 884 . 1 1 97 97 ASP HB2 H 1 2.75 0.02 . 2 . . . . 76 ASP HB2 . 15347 1 885 . 1 1 97 97 ASP HB3 H 1 2.86 0.02 . 2 . . . . 76 ASP HB3 . 15347 1 886 . 1 1 97 97 ASP C C 13 177.6 0.2 . 1 . . . . 76 ASP C . 15347 1 887 . 1 1 97 97 ASP CA C 13 56.2 0.2 . 1 . . . . 76 ASP CA . 15347 1 888 . 1 1 97 97 ASP CB C 13 40.1 0.2 . 1 . . . . 76 ASP CB . 15347 1 889 . 1 1 97 97 ASP N N 15 119.2 0.2 . 1 . . . . 76 ASP N . 15347 1 890 . 1 1 98 98 LEU H H 1 7.37 0.02 . 1 . . . . 77 LEU H . 15347 1 891 . 1 1 98 98 LEU HA H 1 4.17 0.02 . 1 . . . . 77 LEU HA . 15347 1 892 . 1 1 98 98 LEU HB2 H 1 1.34 0.02 . 2 . . . . 77 LEU HB2 . 15347 1 893 . 1 1 98 98 LEU HB3 H 1 1.74 0.02 . 2 . . . . 77 LEU HB3 . 15347 1 894 . 1 1 98 98 LEU HD11 H 1 0.58 0.02 . 1 . . . . 77 LEU HD1 . 15347 1 895 . 1 1 98 98 LEU HD12 H 1 0.58 0.02 . 1 . . . . 77 LEU HD1 . 15347 1 896 . 1 1 98 98 LEU HD13 H 1 0.58 0.02 . 1 . . . . 77 LEU HD1 . 15347 1 897 . 1 1 98 98 LEU HD21 H 1 0.54 0.02 . 1 . . . . 77 LEU HD2 . 15347 1 898 . 1 1 98 98 LEU HD22 H 1 0.54 0.02 . 1 . . . . 77 LEU HD2 . 15347 1 899 . 1 1 98 98 LEU HD23 H 1 0.54 0.02 . 1 . . . . 77 LEU HD2 . 15347 1 900 . 1 1 98 98 LEU HG H 1 1.64 0.02 . 1 . . . . 77 LEU HG . 15347 1 901 . 1 1 98 98 LEU C C 13 177.7 0.2 . 1 . . . . 77 LEU C . 15347 1 902 . 1 1 98 98 LEU CA C 13 55.2 0.2 . 1 . . . . 77 LEU CA . 15347 1 903 . 1 1 98 98 LEU CB C 13 41.9 0.2 . 1 . . . . 77 LEU CB . 15347 1 904 . 1 1 98 98 LEU CD1 C 13 26.7 0.2 . 1 . . . . 77 LEU CD1 . 15347 1 905 . 1 1 98 98 LEU CD2 C 13 22.2 0.2 . 1 . . . . 77 LEU CD2 . 15347 1 906 . 1 1 98 98 LEU CG C 13 26.3 0.2 . 1 . . . . 77 LEU CG . 15347 1 907 . 1 1 98 98 LEU N N 15 117.7 0.2 . 1 . . . . 77 LEU N . 15347 1 908 . 1 1 99 99 LYS H H 1 7.28 0.02 . 1 . . . . 78 LYS H . 15347 1 909 . 1 1 99 99 LYS HA H 1 4.02 0.02 . 1 . . . . 78 LYS HA . 15347 1 910 . 1 1 99 99 LYS HB2 H 1 1.76 0.02 . 2 . . . . 78 LYS HB2 . 15347 1 911 . 1 1 99 99 LYS HB3 H 1 1.94 0.02 . 2 . . . . 78 LYS HB3 . 15347 1 912 . 1 1 99 99 LYS HD2 H 1 1.61 0.02 . 2 . . . . 78 LYS HD2 . 15347 1 913 . 1 1 99 99 LYS HD3 H 1 1.66 0.02 . 2 . . . . 78 LYS HD3 . 15347 1 914 . 1 1 99 99 LYS HE2 H 1 2.61 0.02 . 2 . . . . 78 LYS HE2 . 15347 1 915 . 1 1 99 99 LYS HE3 H 1 2.80 0.02 . 2 . . . . 78 LYS HE3 . 15347 1 916 . 1 1 99 99 LYS HG2 H 1 1.36 0.02 . 2 . . . . 78 LYS HG2 . 15347 1 917 . 1 1 99 99 LYS HG3 H 1 1.62 0.02 . 2 . . . . 78 LYS HG3 . 15347 1 918 . 1 1 99 99 LYS CA C 13 58.1 0.2 . 1 . . . . 78 LYS CA . 15347 1 919 . 1 1 99 99 LYS CB C 13 33.4 0.2 . 1 . . . . 78 LYS CB . 15347 1 920 . 1 1 99 99 LYS CD C 13 29.8 0.2 . 1 . . . . 78 LYS CD . 15347 1 921 . 1 1 99 99 LYS CE C 13 41.9 0.2 . 1 . . . . 78 LYS CE . 15347 1 922 . 1 1 99 99 LYS CG C 13 26.4 0.2 . 1 . . . . 78 LYS CG . 15347 1 923 . 1 1 99 99 LYS N N 15 117.6 0.2 . 1 . . . . 78 LYS N . 15347 1 stop_ save_