data_16316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16316 _Entry.Title ; NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica: Northeast Structural Genomics Consortium target EwR217E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-26 _Entry.Accession_date 2009-05-26 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'structure of fragment representing residues 90-199 of the full length protein (428 amino acids)' _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. . 16316 2 Theresa Ramelot . A. . 16316 3 Dongyan Wang . . . 16316 4 Colleen Ciccosanti . . . 16316 5 Haleema Janjua . . . 16316 6 Rajesh Nair . . . 16316 7 Burkhard Rost . . . 16316 8 G.V.T. Swapna . . . 16316 9 Thomas Acton . B. . 16316 10 Rong Xiao . . . 16316 11 John Everett . K. . 16316 12 Gaetano Montelione . T. . 16316 13 Michael Kennedy . A. . 16316 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16316 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacteriophage P4 integrase' . 16316 'DNA_BRE_C superfamily' . 16316 intB . 16316 integrase . 16316 Integrase-like_cat-core_phage . 16316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 16316 '15N chemical shifts' 122 16316 '1H chemical shifts' 778 16316 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-05-26 original author . 16316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJ9 'BMRB Entry Tracking System' 16316 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16316 _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 'NMR structure of IntB phage-integrase-like protein fragment 90-199 from Erwinia carotova subsp. atroseptica' _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. . 16316 1 2 Gaetano Montelione . T. . 16316 1 3 Michael Kennedy . A. . 16316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16316 _Assembly.ID 1 _Assembly.Name 'IntB phage-integrase-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fragment 90-199' 1 $entity A . yes native no no . . . 16316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fragment 90-199' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KSVQEKRNNTRAFKTVAKSW FATKTTWSEDYQRSVWTRLE TYLFPDIGNKDIAELDTGDL LVPIKKIEKLGYLEIAMRVK QYATAIMRYAVQQKMIRFNP AYDLEGAVQKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'the sequence is a fragment (residues 90-199) of a larger protein (428 residues) and contains an 8 residue tag at the C-terminus. The sequence is numbered beginning with residue 1, corresponding to residue 90 in the full length protein' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KJ9 . "Nmr Structure Of Intb Phage-Integrase-Like Protein Fragment 90-199 From Erwinia Carotova Subsp. Atroseptica: Northeast Structur" . . . . . 100.00 118 100.00 100.00 4.13e-82 . . . . 16316 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'phage integrase-like protein' 16316 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 . LYS . 16316 1 2 . SER . 16316 1 3 . VAL . 16316 1 4 . GLN . 16316 1 5 . GLU . 16316 1 6 . LYS . 16316 1 7 . ARG . 16316 1 8 . ASN . 16316 1 9 . ASN . 16316 1 10 . THR . 16316 1 11 . ARG . 16316 1 12 . ALA . 16316 1 13 . PHE . 16316 1 14 . LYS . 16316 1 15 . THR . 16316 1 16 . VAL . 16316 1 17 . ALA . 16316 1 18 . LYS . 16316 1 19 . SER . 16316 1 20 . TRP . 16316 1 21 . PHE . 16316 1 22 . ALA . 16316 1 23 . THR . 16316 1 24 . LYS . 16316 1 25 . THR . 16316 1 26 . THR . 16316 1 27 . TRP . 16316 1 28 . SER . 16316 1 29 . GLU . 16316 1 30 . ASP . 16316 1 31 . TYR . 16316 1 32 . GLN . 16316 1 33 . ARG . 16316 1 34 . SER . 16316 1 35 . VAL . 16316 1 36 . TRP . 16316 1 37 . THR . 16316 1 38 . ARG . 16316 1 39 . LEU . 16316 1 40 . GLU . 16316 1 41 . THR . 16316 1 42 . TYR . 16316 1 43 . LEU . 16316 1 44 . PHE . 16316 1 45 . PRO . 16316 1 46 . ASP . 16316 1 47 . ILE . 16316 1 48 . GLY . 16316 1 49 . ASN . 16316 1 50 . LYS . 16316 1 51 . ASP . 16316 1 52 . ILE . 16316 1 53 . ALA . 16316 1 54 . GLU . 16316 1 55 . LEU . 16316 1 56 . ASP . 16316 1 57 . THR . 16316 1 58 . GLY . 16316 1 59 . ASP . 16316 1 60 . LEU . 16316 1 61 . LEU . 16316 1 62 . VAL . 16316 1 63 . PRO . 16316 1 64 . ILE . 16316 1 65 . LYS . 16316 1 66 . LYS . 16316 1 67 . ILE . 16316 1 68 . GLU . 16316 1 69 . LYS . 16316 1 70 . LEU . 16316 1 71 . GLY . 16316 1 72 . TYR . 16316 1 73 . LEU . 16316 1 74 . GLU . 16316 1 75 . ILE . 16316 1 76 . ALA . 16316 1 77 . MET . 16316 1 78 . ARG . 16316 1 79 . VAL . 16316 1 80 . LYS . 16316 1 81 . GLN . 16316 1 82 . TYR . 16316 1 83 . ALA . 16316 1 84 . THR . 16316 1 85 . ALA . 16316 1 86 . ILE . 16316 1 87 . MET . 16316 1 88 . ARG . 16316 1 89 . TYR . 16316 1 90 . ALA . 16316 1 91 . VAL . 16316 1 92 . GLN . 16316 1 93 . GLN . 16316 1 94 . LYS . 16316 1 95 . MET . 16316 1 96 . ILE . 16316 1 97 . ARG . 16316 1 98 . PHE . 16316 1 99 . ASN . 16316 1 100 . PRO . 16316 1 101 . ALA . 16316 1 102 . TYR . 16316 1 103 . ASP . 16316 1 104 . LEU . 16316 1 105 . GLU . 16316 1 106 . GLY . 16316 1 107 . ALA . 16316 1 108 . VAL . 16316 1 109 . GLN . 16316 1 110 . LYS . 16316 1 111 . LEU . 16316 1 112 . GLU . 16316 1 113 . HIS . 16316 1 114 . HIS . 16316 1 115 . HIS . 16316 1 116 . HIS . 16316 1 117 . HIS . 16316 1 118 . HIS . 16316 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 . LYS 1 1 16316 1 . SER 2 2 16316 1 . VAL 3 3 16316 1 . GLN 4 4 16316 1 . GLU 5 5 16316 1 . LYS 6 6 16316 1 . ARG 7 7 16316 1 . ASN 8 8 16316 1 . ASN 9 9 16316 1 . THR 10 10 16316 1 . ARG 11 11 16316 1 . ALA 12 12 16316 1 . PHE 13 13 16316 1 . LYS 14 14 16316 1 . THR 15 15 16316 1 . VAL 16 16 16316 1 . ALA 17 17 16316 1 . LYS 18 18 16316 1 . SER 19 19 16316 1 . TRP 20 20 16316 1 . PHE 21 21 16316 1 . ALA 22 22 16316 1 . THR 23 23 16316 1 . LYS 24 24 16316 1 . THR 25 25 16316 1 . THR 26 26 16316 1 . TRP 27 27 16316 1 . SER 28 28 16316 1 . GLU 29 29 16316 1 . ASP 30 30 16316 1 . TYR 31 31 16316 1 . GLN 32 32 16316 1 . ARG 33 33 16316 1 . SER 34 34 16316 1 . VAL 35 35 16316 1 . TRP 36 36 16316 1 . THR 37 37 16316 1 . ARG 38 38 16316 1 . LEU 39 39 16316 1 . GLU 40 40 16316 1 . THR 41 41 16316 1 . TYR 42 42 16316 1 . LEU 43 43 16316 1 . PHE 44 44 16316 1 . PRO 45 45 16316 1 . ASP 46 46 16316 1 . ILE 47 47 16316 1 . GLY 48 48 16316 1 . ASN 49 49 16316 1 . LYS 50 50 16316 1 . ASP 51 51 16316 1 . ILE 52 52 16316 1 . ALA 53 53 16316 1 . GLU 54 54 16316 1 . LEU 55 55 16316 1 . ASP 56 56 16316 1 . THR 57 57 16316 1 . GLY 58 58 16316 1 . ASP 59 59 16316 1 . LEU 60 60 16316 1 . LEU 61 61 16316 1 . VAL 62 62 16316 1 . PRO 63 63 16316 1 . ILE 64 64 16316 1 . LYS 65 65 16316 1 . LYS 66 66 16316 1 . ILE 67 67 16316 1 . GLU 68 68 16316 1 . LYS 69 69 16316 1 . LEU 70 70 16316 1 . GLY 71 71 16316 1 . TYR 72 72 16316 1 . LEU 73 73 16316 1 . GLU 74 74 16316 1 . ILE 75 75 16316 1 . ALA 76 76 16316 1 . MET 77 77 16316 1 . ARG 78 78 16316 1 . VAL 79 79 16316 1 . LYS 80 80 16316 1 . GLN 81 81 16316 1 . TYR 82 82 16316 1 . ALA 83 83 16316 1 . THR 84 84 16316 1 . ALA 85 85 16316 1 . ILE 86 86 16316 1 . MET 87 87 16316 1 . ARG 88 88 16316 1 . TYR 89 89 16316 1 . ALA 90 90 16316 1 . VAL 91 91 16316 1 . GLN 92 92 16316 1 . GLN 93 93 16316 1 . LYS 94 94 16316 1 . MET 95 95 16316 1 . ILE 96 96 16316 1 . ARG 97 97 16316 1 . PHE 98 98 16316 1 . ASN 99 99 16316 1 . PRO 100 100 16316 1 . ALA 101 101 16316 1 . TYR 102 102 16316 1 . ASP 103 103 16316 1 . LEU 104 104 16316 1 . GLU 105 105 16316 1 . GLY 106 106 16316 1 . ALA 107 107 16316 1 . VAL 108 108 16316 1 . GLN 109 109 16316 1 . LYS 110 110 16316 1 . LEU 111 111 16316 1 . GLU 112 112 16316 1 . HIS 113 113 16316 1 . HIS 114 114 16316 1 . HIS 115 115 16316 1 . HIS 116 116 16316 1 . HIS 117 117 16316 1 . HIS 118 118 16316 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 16316 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 554 organism . 'Erwinia carotovora' 'Bacterium carotovorum' . . Bacteria . Erwinia carotovora . 'subsp. atroseptica' . . . . . . . . . . . . . . intB/ECA2889 . 'fragment 90-199 of the full length protein (428 a.a.)' . . 16316 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 16316 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 . . . . . . . . . . . . . . . pET21-23C . . . . . . 16316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 16316 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16316 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16316 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16316 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 16316 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16316 1 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 16316 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16316 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'protein expressed in cells grown on 5% U-13C glucose, 95% unlabeled (natural abundance 13C) glucose' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[5% biosynthetically directed 13C; U-99% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 16316 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16316 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16316 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16316 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 16316 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16316 2 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 16316 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16316 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 16316 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16316 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16316 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16316 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 16316 3 6 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 16316 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 16316 _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' 215 . mM 16316 1 pH 6.5 . pH 16316 1 pressure 1 . atm 16316 1 temperature 293 . K 16316 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16316 _Software.ID 1 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16316 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16316 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16316 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16316 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16316 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16316 3 'data analysis' 16316 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16316 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16316 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16316 4 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16316 _Software.ID 5 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16316 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16316 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 16316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16316 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16316 _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 . 600 . . . 16316 1 2 spectrometer_2 Varian INOVA . 750 . . . 16316 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 16316 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 1 14 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16316 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 16316 _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 na indirect 0.251449530 . . . . . . . . . 16316 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16316 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16316 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 16316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 16316 1 2 '3D 1H-13C NOESY' . . . 16316 1 3 '3D HNCO' . . . 16316 1 4 '3D HNCA' . . . 16316 1 5 '3D HN(CO)CA' . . . 16316 1 6 '3D CBCA(CO)NH' . . . 16316 1 7 '3D HNCACB' . . . 16316 1 8 '3D HBHA(CO)NH' . . . 16316 1 9 '3D C(CO)NH' . . . 16316 1 10 '3D HCCH-TOCSY' . . . 16316 1 11 '3D HNHA' . . . 16316 1 12 '2D 1H-15N HSQC' . . . 16316 1 14 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' . . . 16316 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS C C 13 176.2 0.2 . 1 . . . . 1 LYS C . 16316 1 2 . 1 1 1 1 LYS CA C 13 56.5 0.2 . 1 . . . . 1 LYS CA . 16316 1 3 . 1 1 1 1 LYS CB C 13 33.2 0.2 . 1 . . . . 1 LYS CB . 16316 1 4 . 1 1 2 2 SER H H 1 8.53 0.02 . 1 . . . . 2 SER H . 16316 1 5 . 1 1 2 2 SER C C 13 174.7 0.2 . 1 . . . . 2 SER C . 16316 1 6 . 1 1 2 2 SER CA C 13 58.2 0.2 . 1 . . . . 2 SER CA . 16316 1 7 . 1 1 2 2 SER CB C 13 63.8 0.2 . 1 . . . . 2 SER CB . 16316 1 8 . 1 1 2 2 SER N N 15 118.3 0.2 . 1 . . . . 2 SER N . 16316 1 9 . 1 1 3 3 VAL H H 1 8.16 0.02 . 1 . . . . 3 VAL H . 16316 1 10 . 1 1 3 3 VAL HA H 1 4.00 0.02 . 1 . . . . 3 VAL HA . 16316 1 11 . 1 1 3 3 VAL HB H 1 2.04 0.02 . 1 . . . . 3 VAL HB . 16316 1 12 . 1 1 3 3 VAL HG11 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16316 1 13 . 1 1 3 3 VAL HG12 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16316 1 14 . 1 1 3 3 VAL HG13 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16316 1 15 . 1 1 3 3 VAL HG21 H 1 0.91 0.02 . 1 . . . . 3 VAL HG2 . 16316 1 16 . 1 1 3 3 VAL HG22 H 1 0.91 0.02 . 1 . . . . 3 VAL HG2 . 16316 1 17 . 1 1 3 3 VAL HG23 H 1 0.91 0.02 . 1 . . . . 3 VAL HG2 . 16316 1 18 . 1 1 3 3 VAL C C 13 174.6 0.2 . 1 . . . . 3 VAL C . 16316 1 19 . 1 1 3 3 VAL CG1 C 13 21.0 0.2 . 1 . . . . 3 VAL CG1 . 16316 1 20 . 1 1 3 3 VAL CG2 C 13 20.8 0.2 . 1 . . . . 3 VAL CG2 . 16316 1 21 . 1 1 3 3 VAL N N 15 121.8 0.2 . 1 . . . . 3 VAL N . 16316 1 22 . 1 1 4 4 GLN H H 1 8.42 0.02 . 1 . . . . 4 GLN H . 16316 1 23 . 1 1 4 4 GLN CA C 13 56.0 0.2 . 1 . . . . 4 GLN CA . 16316 1 24 . 1 1 4 4 GLN CB C 13 29.5 0.2 . 1 . . . . 4 GLN CB . 16316 1 25 . 1 1 4 4 GLN CG C 13 33.7 0.2 . 1 . . . . 4 GLN CG . 16316 1 26 . 1 1 4 4 GLN N N 15 123.6 0.2 . 1 . . . . 4 GLN N . 16316 1 27 . 1 1 5 5 GLU C C 13 176.0 0.2 . 1 . . . . 5 GLU C . 16316 1 28 . 1 1 5 5 GLU CA C 13 56.9 0.2 . 1 . . . . 5 GLU CA . 16316 1 29 . 1 1 5 5 GLU CB C 13 29.4 0.2 . 1 . . . . 5 GLU CB . 16316 1 30 . 1 1 6 6 LYS H H 1 8.40 0.02 . 1 . . . . 6 LYS H . 16316 1 31 . 1 1 6 6 LYS C C 13 176.6 0.2 . 1 . . . . 6 LYS C . 16316 1 32 . 1 1 6 6 LYS CA C 13 56.5 0.2 . 1 . . . . 6 LYS CA . 16316 1 33 . 1 1 6 6 LYS CB C 13 33.0 0.2 . 1 . . . . 6 LYS CB . 16316 1 34 . 1 1 6 6 LYS N N 15 123.1 0.2 . 1 . . . . 6 LYS N . 16316 1 35 . 1 1 7 7 ARG H H 1 8.39 0.02 . 1 . . . . 7 ARG H . 16316 1 36 . 1 1 7 7 ARG C C 13 176.0 0.2 . 1 . . . . 7 ARG C . 16316 1 37 . 1 1 7 7 ARG CA C 13 56.2 0.2 . 1 . . . . 7 ARG CA . 16316 1 38 . 1 1 7 7 ARG CB C 13 30.9 0.2 . 1 . . . . 7 ARG CB . 16316 1 39 . 1 1 7 7 ARG N N 15 122.3 0.2 . 1 . . . . 7 ARG N . 16316 1 40 . 1 1 8 8 ASN H H 1 8.53 0.02 . 1 . . . . 8 ASN H . 16316 1 41 . 1 1 8 8 ASN HD21 H 1 7.66 0.02 . 2 . . . . 8 ASN HD21 . 16316 1 42 . 1 1 8 8 ASN HD22 H 1 6.96 0.02 . 2 . . . . 8 ASN HD22 . 16316 1 43 . 1 1 8 8 ASN C C 13 175.1 0.2 . 1 . . . . 8 ASN C . 16316 1 44 . 1 1 8 8 ASN CA C 13 53.2 0.2 . 1 . . . . 8 ASN CA . 16316 1 45 . 1 1 8 8 ASN CB C 13 39.0 0.2 . 1 . . . . 8 ASN CB . 16316 1 46 . 1 1 8 8 ASN CG C 13 176.8 0.2 . 1 . . . . 8 ASN CG . 16316 1 47 . 1 1 8 8 ASN N N 15 120.0 0.2 . 1 . . . . 8 ASN N . 16316 1 48 . 1 1 8 8 ASN ND2 N 15 113.2 0.2 . 1 . . . . 8 ASN ND2 . 16316 1 49 . 1 1 9 9 ASN H H 1 8.58 0.02 . 1 . . . . 9 ASN H . 16316 1 50 . 1 1 9 9 ASN HA H 1 4.81 0.02 . 1 . . . . 9 ASN HA . 16316 1 51 . 1 1 9 9 ASN HB2 H 1 2.83 0.02 . 2 . . . . 9 ASN HB2 . 16316 1 52 . 1 1 9 9 ASN HB3 H 1 2.86 0.02 . 2 . . . . 9 ASN HB3 . 16316 1 53 . 1 1 9 9 ASN HD21 H 1 7.67 0.02 . 2 . . . . 9 ASN HD21 . 16316 1 54 . 1 1 9 9 ASN HD22 H 1 6.95 0.02 . 2 . . . . 9 ASN HD22 . 16316 1 55 . 1 1 9 9 ASN C C 13 176.4 0.2 . 1 . . . . 9 ASN C . 16316 1 56 . 1 1 9 9 ASN CA C 13 53.4 0.2 . 1 . . . . 9 ASN CA . 16316 1 57 . 1 1 9 9 ASN CB C 13 38.8 0.2 . 1 . . . . 9 ASN CB . 16316 1 58 . 1 1 9 9 ASN CG C 13 176.9 0.2 . 1 . . . . 9 ASN CG . 16316 1 59 . 1 1 9 9 ASN N N 15 120.2 0.2 . 1 . . . . 9 ASN N . 16316 1 60 . 1 1 9 9 ASN ND2 N 15 112.4 0.2 . 1 . . . . 9 ASN ND2 . 16316 1 61 . 1 1 10 10 THR H H 1 8.29 0.02 . 1 . . . . 10 THR H . 16316 1 62 . 1 1 10 10 THR HA H 1 4.19 0.02 . 1 . . . . 10 THR HA . 16316 1 63 . 1 1 10 10 THR HB H 1 4.25 0.02 . 1 . . . . 10 THR HB . 16316 1 64 . 1 1 10 10 THR HG21 H 1 1.25 0.02 . 1 . . . . 10 THR HG2 . 16316 1 65 . 1 1 10 10 THR HG22 H 1 1.25 0.02 . 1 . . . . 10 THR HG2 . 16316 1 66 . 1 1 10 10 THR HG23 H 1 1.25 0.02 . 1 . . . . 10 THR HG2 . 16316 1 67 . 1 1 10 10 THR C C 13 174.3 0.2 . 1 . . . . 10 THR C . 16316 1 68 . 1 1 10 10 THR CA C 13 63.7 0.2 . 1 . . . . 10 THR CA . 16316 1 69 . 1 1 10 10 THR CB C 13 69.4 0.2 . 1 . . . . 10 THR CB . 16316 1 70 . 1 1 10 10 THR CG2 C 13 22.0 0.2 . 1 . . . . 10 THR CG2 . 16316 1 71 . 1 1 10 10 THR N N 15 115.7 0.2 . 1 . . . . 10 THR N . 16316 1 72 . 1 1 11 11 ARG H H 1 8.30 0.02 . 1 . . . . 11 ARG H . 16316 1 73 . 1 1 11 11 ARG HA H 1 4.39 0.02 . 1 . . . . 11 ARG HA . 16316 1 74 . 1 1 11 11 ARG HB2 H 1 1.72 0.02 . 2 . . . . 11 ARG HB2 . 16316 1 75 . 1 1 11 11 ARG HB3 H 1 2.01 0.02 . 2 . . . . 11 ARG HB3 . 16316 1 76 . 1 1 11 11 ARG HD2 H 1 3.16 0.02 . 2 . . . . 11 ARG HD2 . 16316 1 77 . 1 1 11 11 ARG HD3 H 1 3.27 0.02 . 2 . . . . 11 ARG HD3 . 16316 1 78 . 1 1 11 11 ARG HE H 1 8.11 0.02 . 1 . . . . 11 ARG HE . 16316 1 79 . 1 1 11 11 ARG HG2 H 1 1.50 0.02 . 2 . . . . 11 ARG HG2 . 16316 1 80 . 1 1 11 11 ARG HG3 H 1 1.62 0.02 . 2 . . . . 11 ARG HG3 . 16316 1 81 . 1 1 11 11 ARG C C 13 174.6 0.2 . 1 . . . . 11 ARG C . 16316 1 82 . 1 1 11 11 ARG CA C 13 55.0 0.2 . 1 . . . . 11 ARG CA . 16316 1 83 . 1 1 11 11 ARG CB C 13 31.2 0.2 . 1 . . . . 11 ARG CB . 16316 1 84 . 1 1 11 11 ARG CD C 13 43.7 0.2 . 1 . . . . 11 ARG CD . 16316 1 85 . 1 1 11 11 ARG CG C 13 27.5 0.2 . 1 . . . . 11 ARG CG . 16316 1 86 . 1 1 11 11 ARG N N 15 120.7 0.2 . 1 . . . . 11 ARG N . 16316 1 87 . 1 1 11 11 ARG NE N 15 116.9 0.2 . 1 . . . . 11 ARG NE . 16316 1 88 . 1 1 12 12 ALA H H 1 7.61 0.02 . 1 . . . . 12 ALA H . 16316 1 89 . 1 1 12 12 ALA HA H 1 4.35 0.02 . 1 . . . . 12 ALA HA . 16316 1 90 . 1 1 12 12 ALA HB1 H 1 1.58 0.02 . 1 . . . . 12 ALA HB . 16316 1 91 . 1 1 12 12 ALA HB2 H 1 1.58 0.02 . 1 . . . . 12 ALA HB . 16316 1 92 . 1 1 12 12 ALA HB3 H 1 1.58 0.02 . 1 . . . . 12 ALA HB . 16316 1 93 . 1 1 12 12 ALA C C 13 179.5 0.2 . 1 . . . . 12 ALA C . 16316 1 94 . 1 1 12 12 ALA CA C 13 52.2 0.2 . 1 . . . . 12 ALA CA . 16316 1 95 . 1 1 12 12 ALA CB C 13 18.3 0.2 . 1 . . . . 12 ALA CB . 16316 1 96 . 1 1 12 12 ALA N N 15 123.2 0.2 . 1 . . . . 12 ALA N . 16316 1 97 . 1 1 13 13 PHE H H 1 9.16 0.02 . 1 . . . . 13 PHE H . 16316 1 98 . 1 1 13 13 PHE HA H 1 3.85 0.02 . 1 . . . . 13 PHE HA . 16316 1 99 . 1 1 13 13 PHE HB2 H 1 3.00 0.02 . 2 . . . . 13 PHE HB2 . 16316 1 100 . 1 1 13 13 PHE HB3 H 1 3.48 0.02 . 2 . . . . 13 PHE HB3 . 16316 1 101 . 1 1 13 13 PHE HD1 H 1 6.95 0.02 . 3 . . . . 13 PHE HD1 . 16316 1 102 . 1 1 13 13 PHE HE1 H 1 7.12 0.02 . 3 . . . . 13 PHE HE1 . 16316 1 103 . 1 1 13 13 PHE HZ H 1 6.92 0.02 . 1 . . . . 13 PHE HZ . 16316 1 104 . 1 1 13 13 PHE C C 13 176.7 0.2 . 1 . . . . 13 PHE C . 16316 1 105 . 1 1 13 13 PHE CA C 13 63.4 0.2 . 1 . . . . 13 PHE CA . 16316 1 106 . 1 1 13 13 PHE CB C 13 39.7 0.2 . 1 . . . . 13 PHE CB . 16316 1 107 . 1 1 13 13 PHE CD1 C 13 131.9 0.2 . 3 . . . . 13 PHE CD1 . 16316 1 108 . 1 1 13 13 PHE CE1 C 13 130.4 0.2 . 3 . . . . 13 PHE CE1 . 16316 1 109 . 1 1 13 13 PHE CZ C 13 128.7 0.2 . 1 . . . . 13 PHE CZ . 16316 1 110 . 1 1 13 13 PHE N N 15 124.2 0.2 . 1 . . . . 13 PHE N . 16316 1 111 . 1 1 14 14 LYS H H 1 9.49 0.02 . 1 . . . . 14 LYS H . 16316 1 112 . 1 1 14 14 LYS HA H 1 3.49 0.02 . 1 . . . . 14 LYS HA . 16316 1 113 . 1 1 14 14 LYS HB2 H 1 0.92 0.02 . 2 . . . . 14 LYS HB2 . 16316 1 114 . 1 1 14 14 LYS HB3 H 1 1.01 0.02 . 2 . . . . 14 LYS HB3 . 16316 1 115 . 1 1 14 14 LYS HD2 H 1 1.20 0.02 . 2 . . . . 14 LYS HD2 . 16316 1 116 . 1 1 14 14 LYS HD3 H 1 1.26 0.02 . 2 . . . . 14 LYS HD3 . 16316 1 117 . 1 1 14 14 LYS HE2 H 1 2.72 0.02 . 2 . . . . 14 LYS HE2 . 16316 1 118 . 1 1 14 14 LYS HE3 H 1 2.95 0.02 . 2 . . . . 14 LYS HE3 . 16316 1 119 . 1 1 14 14 LYS HG2 H 1 0.53 0.02 . 2 . . . . 14 LYS HG2 . 16316 1 120 . 1 1 14 14 LYS HG3 H 1 1.01 0.02 . 2 . . . . 14 LYS HG3 . 16316 1 121 . 1 1 14 14 LYS C C 13 177.1 0.2 . 1 . . . . 14 LYS C . 16316 1 122 . 1 1 14 14 LYS CA C 13 59.5 0.2 . 1 . . . . 14 LYS CA . 16316 1 123 . 1 1 14 14 LYS CB C 13 31.3 0.2 . 1 . . . . 14 LYS CB . 16316 1 124 . 1 1 14 14 LYS CD C 13 29.7 0.2 . 1 . . . . 14 LYS CD . 16316 1 125 . 1 1 14 14 LYS CE C 13 42.0 0.2 . 1 . . . . 14 LYS CE . 16316 1 126 . 1 1 14 14 LYS CG C 13 24.1 0.2 . 1 . . . . 14 LYS CG . 16316 1 127 . 1 1 14 14 LYS N N 15 115.1 0.2 . 1 . . . . 14 LYS N . 16316 1 128 . 1 1 15 15 THR H H 1 7.25 0.02 . 1 . . . . 15 THR H . 16316 1 129 . 1 1 15 15 THR HA H 1 3.96 0.02 . 1 . . . . 15 THR HA . 16316 1 130 . 1 1 15 15 THR HB H 1 4.40 0.02 . 1 . . . . 15 THR HB . 16316 1 131 . 1 1 15 15 THR HG21 H 1 1.29 0.02 . 1 . . . . 15 THR HG2 . 16316 1 132 . 1 1 15 15 THR HG22 H 1 1.29 0.02 . 1 . . . . 15 THR HG2 . 16316 1 133 . 1 1 15 15 THR HG23 H 1 1.29 0.02 . 1 . . . . 15 THR HG2 . 16316 1 134 . 1 1 15 15 THR C C 13 176.5 0.2 . 1 . . . . 15 THR C . 16316 1 135 . 1 1 15 15 THR CA C 13 65.7 0.2 . 1 . . . . 15 THR CA . 16316 1 136 . 1 1 15 15 THR CB C 13 68.4 0.2 . 1 . . . . 15 THR CB . 16316 1 137 . 1 1 15 15 THR CG2 C 13 23.2 0.2 . 1 . . . . 15 THR CG2 . 16316 1 138 . 1 1 15 15 THR N N 15 118.4 0.2 . 1 . . . . 15 THR N . 16316 1 139 . 1 1 16 16 VAL H H 1 7.97 0.02 . 1 . . . . 16 VAL H . 16316 1 140 . 1 1 16 16 VAL HA H 1 3.79 0.02 . 1 . . . . 16 VAL HA . 16316 1 141 . 1 1 16 16 VAL HB H 1 1.86 0.02 . 1 . . . . 16 VAL HB . 16316 1 142 . 1 1 16 16 VAL HG11 H 1 1.05 0.02 . 1 . . . . 16 VAL HG1 . 16316 1 143 . 1 1 16 16 VAL HG12 H 1 1.05 0.02 . 1 . . . . 16 VAL HG1 . 16316 1 144 . 1 1 16 16 VAL HG13 H 1 1.05 0.02 . 1 . . . . 16 VAL HG1 . 16316 1 145 . 1 1 16 16 VAL HG21 H 1 0.99 0.02 . 1 . . . . 16 VAL HG2 . 16316 1 146 . 1 1 16 16 VAL HG22 H 1 0.99 0.02 . 1 . . . . 16 VAL HG2 . 16316 1 147 . 1 1 16 16 VAL HG23 H 1 0.99 0.02 . 1 . . . . 16 VAL HG2 . 16316 1 148 . 1 1 16 16 VAL C C 13 178.1 0.2 . 1 . . . . 16 VAL C . 16316 1 149 . 1 1 16 16 VAL CA C 13 66.3 0.2 . 1 . . . . 16 VAL CA . 16316 1 150 . 1 1 16 16 VAL CB C 13 31.4 0.2 . 1 . . . . 16 VAL CB . 16316 1 151 . 1 1 16 16 VAL CG1 C 13 21.9 0.2 . 1 . . . . 16 VAL CG1 . 16316 1 152 . 1 1 16 16 VAL CG2 C 13 22.7 0.2 . 1 . . . . 16 VAL CG2 . 16316 1 153 . 1 1 16 16 VAL N N 15 124.8 0.2 . 1 . . . . 16 VAL N . 16316 1 154 . 1 1 17 17 ALA H H 1 8.92 0.02 . 1 . . . . 17 ALA H . 16316 1 155 . 1 1 17 17 ALA HA H 1 4.08 0.02 . 1 . . . . 17 ALA HA . 16316 1 156 . 1 1 17 17 ALA HB1 H 1 1.54 0.02 . 1 . . . . 17 ALA HB . 16316 1 157 . 1 1 17 17 ALA HB2 H 1 1.54 0.02 . 1 . . . . 17 ALA HB . 16316 1 158 . 1 1 17 17 ALA HB3 H 1 1.54 0.02 . 1 . . . . 17 ALA HB . 16316 1 159 . 1 1 17 17 ALA C C 13 179.4 0.2 . 1 . . . . 17 ALA C . 16316 1 160 . 1 1 17 17 ALA CA C 13 55.6 0.2 . 1 . . . . 17 ALA CA . 16316 1 161 . 1 1 17 17 ALA CB C 13 19.2 0.2 . 1 . . . . 17 ALA CB . 16316 1 162 . 1 1 17 17 ALA N N 15 120.5 0.2 . 1 . . . . 17 ALA N . 16316 1 163 . 1 1 18 18 LYS H H 1 8.01 0.02 . 1 . . . . 18 LYS H . 16316 1 164 . 1 1 18 18 LYS HA H 1 4.17 0.02 . 1 . . . . 18 LYS HA . 16316 1 165 . 1 1 18 18 LYS HB2 H 1 2.16 0.02 . 2 . . . . 18 LYS HB2 . 16316 1 166 . 1 1 18 18 LYS HB3 H 1 2.19 0.02 . 2 . . . . 18 LYS HB3 . 16316 1 167 . 1 1 18 18 LYS HD2 H 1 1.52 0.02 . 2 . . . . 18 LYS HD2 . 16316 1 168 . 1 1 18 18 LYS HD3 H 1 1.61 0.02 . 2 . . . . 18 LYS HD3 . 16316 1 169 . 1 1 18 18 LYS HE2 H 1 2.81 0.02 . 2 . . . . 18 LYS HE2 . 16316 1 170 . 1 1 18 18 LYS HE3 H 1 2.85 0.02 . 2 . . . . 18 LYS HE3 . 16316 1 171 . 1 1 18 18 LYS HG2 H 1 1.45 0.02 . 2 . . . . 18 LYS HG2 . 16316 1 172 . 1 1 18 18 LYS HG3 H 1 1.47 0.02 . 2 . . . . 18 LYS HG3 . 16316 1 173 . 1 1 18 18 LYS C C 13 178.6 0.2 . 1 . . . . 18 LYS C . 16316 1 174 . 1 1 18 18 LYS CA C 13 60.2 0.2 . 1 . . . . 18 LYS CA . 16316 1 175 . 1 1 18 18 LYS CB C 13 32.4 0.2 . 1 . . . . 18 LYS CB . 16316 1 176 . 1 1 18 18 LYS CD C 13 29.1 0.2 . 1 . . . . 18 LYS CD . 16316 1 177 . 1 1 18 18 LYS CE C 13 41.6 0.2 . 1 . . . . 18 LYS CE . 16316 1 178 . 1 1 18 18 LYS CG C 13 25.2 0.2 . 1 . . . . 18 LYS CG . 16316 1 179 . 1 1 18 18 LYS N N 15 119.0 0.2 . 1 . . . . 18 LYS N . 16316 1 180 . 1 1 19 19 SER H H 1 7.91 0.02 . 1 . . . . 19 SER H . 16316 1 181 . 1 1 19 19 SER HA H 1 4.17 0.02 . 1 . . . . 19 SER HA . 16316 1 182 . 1 1 19 19 SER HB2 H 1 4.16 0.02 . 2 . . . . 19 SER HB2 . 16316 1 183 . 1 1 19 19 SER HB3 H 1 4.19 0.02 . 2 . . . . 19 SER HB3 . 16316 1 184 . 1 1 19 19 SER C C 13 176.3 0.2 . 1 . . . . 19 SER C . 16316 1 185 . 1 1 19 19 SER CA C 13 62.2 0.2 . 1 . . . . 19 SER CA . 16316 1 186 . 1 1 19 19 SER CB C 13 62.4 0.2 . 1 . . . . 19 SER CB . 16316 1 187 . 1 1 19 19 SER N N 15 117.3 0.2 . 1 . . . . 19 SER N . 16316 1 188 . 1 1 20 20 TRP H H 1 8.50 0.02 . 1 . . . . 20 TRP H . 16316 1 189 . 1 1 20 20 TRP HA H 1 2.99 0.02 . 1 . . . . 20 TRP HA . 16316 1 190 . 1 1 20 20 TRP HB2 H 1 2.56 0.02 . 2 . . . . 20 TRP HB2 . 16316 1 191 . 1 1 20 20 TRP HB3 H 1 3.30 0.02 . 2 . . . . 20 TRP HB3 . 16316 1 192 . 1 1 20 20 TRP HD1 H 1 6.86 0.02 . 1 . . . . 20 TRP HD1 . 16316 1 193 . 1 1 20 20 TRP HE1 H 1 10.12 0.02 . 1 . . . . 20 TRP HE1 . 16316 1 194 . 1 1 20 20 TRP HE3 H 1 7.94 0.02 . 1 . . . . 20 TRP HE3 . 16316 1 195 . 1 1 20 20 TRP HH2 H 1 7.22 0.02 . 1 . . . . 20 TRP HH2 . 16316 1 196 . 1 1 20 20 TRP HZ2 H 1 7.73 0.02 . 1 . . . . 20 TRP HZ2 . 16316 1 197 . 1 1 20 20 TRP HZ3 H 1 6.98 0.02 . 1 . . . . 20 TRP HZ3 . 16316 1 198 . 1 1 20 20 TRP C C 13 178.3 0.2 . 1 . . . . 20 TRP C . 16316 1 199 . 1 1 20 20 TRP CA C 13 60.7 0.2 . 1 . . . . 20 TRP CA . 16316 1 200 . 1 1 20 20 TRP CB C 13 27.7 0.2 . 1 . . . . 20 TRP CB . 16316 1 201 . 1 1 20 20 TRP CD1 C 13 125.9 0.2 . 1 . . . . 20 TRP CD1 . 16316 1 202 . 1 1 20 20 TRP CE3 C 13 121.4 0.2 . 1 . . . . 20 TRP CE3 . 16316 1 203 . 1 1 20 20 TRP CH2 C 13 123.3 0.2 . 1 . . . . 20 TRP CH2 . 16316 1 204 . 1 1 20 20 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 20 TRP CZ2 . 16316 1 205 . 1 1 20 20 TRP CZ3 C 13 120.2 0.2 . 1 . . . . 20 TRP CZ3 . 16316 1 206 . 1 1 20 20 TRP N N 15 123.6 0.2 . 1 . . . . 20 TRP N . 16316 1 207 . 1 1 20 20 TRP NE1 N 15 130.4 0.2 . 1 . . . . 20 TRP NE1 . 16316 1 208 . 1 1 21 21 PHE H H 1 9.08 0.02 . 1 . . . . 21 PHE H . 16316 1 209 . 1 1 21 21 PHE HA H 1 2.93 0.02 . 1 . . . . 21 PHE HA . 16316 1 210 . 1 1 21 21 PHE HB2 H 1 3.12 0.02 . 2 . . . . 21 PHE HB2 . 16316 1 211 . 1 1 21 21 PHE HB3 H 1 3.55 0.02 . 2 . . . . 21 PHE HB3 . 16316 1 212 . 1 1 21 21 PHE HD1 H 1 7.01 0.02 . 3 . . . . 21 PHE HD1 . 16316 1 213 . 1 1 21 21 PHE HE1 H 1 7.36 0.02 . 3 . . . . 21 PHE HE1 . 16316 1 214 . 1 1 21 21 PHE HZ H 1 7.54 0.02 . 1 . . . . 21 PHE HZ . 16316 1 215 . 1 1 21 21 PHE C C 13 177.4 0.2 . 1 . . . . 21 PHE C . 16316 1 216 . 1 1 21 21 PHE CA C 13 60.7 0.2 . 1 . . . . 21 PHE CA . 16316 1 217 . 1 1 21 21 PHE CB C 13 40.5 0.2 . 1 . . . . 21 PHE CB . 16316 1 218 . 1 1 21 21 PHE CD1 C 13 131.4 0.2 . 3 . . . . 21 PHE CD1 . 16316 1 219 . 1 1 21 21 PHE CE1 C 13 131.4 0.2 . 3 . . . . 21 PHE CE1 . 16316 1 220 . 1 1 21 21 PHE CZ C 13 131.0 0.2 . 1 . . . . 21 PHE CZ . 16316 1 221 . 1 1 21 21 PHE N N 15 123.1 0.2 . 1 . . . . 21 PHE N . 16316 1 222 . 1 1 22 22 ALA H H 1 7.68 0.02 . 1 . . . . 22 ALA H . 16316 1 223 . 1 1 22 22 ALA HA H 1 3.86 0.02 . 1 . . . . 22 ALA HA . 16316 1 224 . 1 1 22 22 ALA HB1 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16316 1 225 . 1 1 22 22 ALA HB2 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16316 1 226 . 1 1 22 22 ALA HB3 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16316 1 227 . 1 1 22 22 ALA C C 13 178.7 0.2 . 1 . . . . 22 ALA C . 16316 1 228 . 1 1 22 22 ALA CA C 13 53.4 0.2 . 1 . . . . 22 ALA CA . 16316 1 229 . 1 1 22 22 ALA CB C 13 18.1 0.2 . 1 . . . . 22 ALA CB . 16316 1 230 . 1 1 22 22 ALA N N 15 118.8 0.2 . 1 . . . . 22 ALA N . 16316 1 231 . 1 1 23 23 THR H H 1 7.38 0.02 . 1 . . . . 23 THR H . 16316 1 232 . 1 1 23 23 THR HA H 1 4.19 0.02 . 1 . . . . 23 THR HA . 16316 1 233 . 1 1 23 23 THR HB H 1 4.22 0.02 . 1 . . . . 23 THR HB . 16316 1 234 . 1 1 23 23 THR HG1 H 1 5.48 0.02 . 1 . . . . 23 THR HG1 . 16316 1 235 . 1 1 23 23 THR HG21 H 1 1.35 0.02 . 1 . . . . 23 THR HG2 . 16316 1 236 . 1 1 23 23 THR HG22 H 1 1.35 0.02 . 1 . . . . 23 THR HG2 . 16316 1 237 . 1 1 23 23 THR HG23 H 1 1.35 0.02 . 1 . . . . 23 THR HG2 . 16316 1 238 . 1 1 23 23 THR C C 13 175.8 0.2 . 1 . . . . 23 THR C . 16316 1 239 . 1 1 23 23 THR CA C 13 62.6 0.2 . 1 . . . . 23 THR CA . 16316 1 240 . 1 1 23 23 THR CB C 13 70.0 0.2 . 1 . . . . 23 THR CB . 16316 1 241 . 1 1 23 23 THR CG2 C 13 21.5 0.2 . 1 . . . . 23 THR CG2 . 16316 1 242 . 1 1 23 23 THR N N 15 106.9 0.2 . 1 . . . . 23 THR N . 16316 1 243 . 1 1 24 24 LYS H H 1 6.81 0.02 . 1 . . . . 24 LYS H . 16316 1 244 . 1 1 24 24 LYS HA H 1 3.94 0.02 . 1 . . . . 24 LYS HA . 16316 1 245 . 1 1 24 24 LYS HB2 H 1 -0.48 0.02 . 2 . . . . 24 LYS HB2 . 16316 1 246 . 1 1 24 24 LYS HB3 H 1 0.54 0.02 . 2 . . . . 24 LYS HB3 . 16316 1 247 . 1 1 24 24 LYS HD2 H 1 0.41 0.02 . 2 . . . . 24 LYS HD2 . 16316 1 248 . 1 1 24 24 LYS HD3 H 1 0.66 0.02 . 2 . . . . 24 LYS HD3 . 16316 1 249 . 1 1 24 24 LYS HE2 H 1 1.90 0.02 . 2 . . . . 24 LYS HE2 . 16316 1 250 . 1 1 24 24 LYS HE3 H 1 2.14 0.02 . 2 . . . . 24 LYS HE3 . 16316 1 251 . 1 1 24 24 LYS HG2 H 1 -0.75 0.02 . 2 . . . . 24 LYS HG2 . 16316 1 252 . 1 1 24 24 LYS HG3 H 1 0.02 0.02 . 2 . . . . 24 LYS HG3 . 16316 1 253 . 1 1 24 24 LYS C C 13 177.4 0.2 . 1 . . . . 24 LYS C . 16316 1 254 . 1 1 24 24 LYS CA C 13 52.0 0.2 . 1 . . . . 24 LYS CA . 16316 1 255 . 1 1 24 24 LYS CB C 13 25.7 0.2 . 1 . . . . 24 LYS CB . 16316 1 256 . 1 1 24 24 LYS CD C 13 26.1 0.2 . 1 . . . . 24 LYS CD . 16316 1 257 . 1 1 24 24 LYS CE C 13 41.2 0.2 . 1 . . . . 24 LYS CE . 16316 1 258 . 1 1 24 24 LYS CG C 13 20.3 0.2 . 1 . . . . 24 LYS CG . 16316 1 259 . 1 1 24 24 LYS N N 15 123.8 0.2 . 1 . . . . 24 LYS N . 16316 1 260 . 1 1 25 25 THR H H 1 7.40 0.02 . 1 . . . . 25 THR H . 16316 1 261 . 1 1 25 25 THR HA H 1 3.88 0.02 . 1 . . . . 25 THR HA . 16316 1 262 . 1 1 25 25 THR HB H 1 4.27 0.02 . 1 . . . . 25 THR HB . 16316 1 263 . 1 1 25 25 THR HG21 H 1 1.05 0.02 . 1 . . . . 25 THR HG2 . 16316 1 264 . 1 1 25 25 THR HG22 H 1 1.05 0.02 . 1 . . . . 25 THR HG2 . 16316 1 265 . 1 1 25 25 THR HG23 H 1 1.05 0.02 . 1 . . . . 25 THR HG2 . 16316 1 266 . 1 1 25 25 THR C C 13 176.1 0.2 . 1 . . . . 25 THR C . 16316 1 267 . 1 1 25 25 THR CA C 13 63.1 0.2 . 1 . . . . 25 THR CA . 16316 1 268 . 1 1 25 25 THR CB C 13 68.6 0.2 . 1 . . . . 25 THR CB . 16316 1 269 . 1 1 25 25 THR CG2 C 13 21.9 0.2 . 1 . . . . 25 THR CG2 . 16316 1 270 . 1 1 25 25 THR N N 15 110.1 0.2 . 1 . . . . 25 THR N . 16316 1 271 . 1 1 26 26 THR H H 1 7.55 0.02 . 1 . . . . 26 THR H . 16316 1 272 . 1 1 26 26 THR HA H 1 4.37 0.02 . 1 . . . . 26 THR HA . 16316 1 273 . 1 1 26 26 THR HB H 1 4.47 0.02 . 1 . . . . 26 THR HB . 16316 1 274 . 1 1 26 26 THR HG21 H 1 1.12 0.02 . 1 . . . . 26 THR HG2 . 16316 1 275 . 1 1 26 26 THR HG22 H 1 1.12 0.02 . 1 . . . . 26 THR HG2 . 16316 1 276 . 1 1 26 26 THR HG23 H 1 1.12 0.02 . 1 . . . . 26 THR HG2 . 16316 1 277 . 1 1 26 26 THR C C 13 175.4 0.2 . 1 . . . . 26 THR C . 16316 1 278 . 1 1 26 26 THR CA C 13 61.5 0.2 . 1 . . . . 26 THR CA . 16316 1 279 . 1 1 26 26 THR CB C 13 68.8 0.2 . 1 . . . . 26 THR CB . 16316 1 280 . 1 1 26 26 THR CG2 C 13 21.7 0.2 . 1 . . . . 26 THR CG2 . 16316 1 281 . 1 1 26 26 THR N N 15 109.3 0.2 . 1 . . . . 26 THR N . 16316 1 282 . 1 1 27 27 TRP H H 1 7.19 0.02 . 1 . . . . 27 TRP H . 16316 1 283 . 1 1 27 27 TRP HA H 1 5.02 0.02 . 1 . . . . 27 TRP HA . 16316 1 284 . 1 1 27 27 TRP HB2 H 1 3.18 0.02 . 2 . . . . 27 TRP HB2 . 16316 1 285 . 1 1 27 27 TRP HB3 H 1 3.28 0.02 . 2 . . . . 27 TRP HB3 . 16316 1 286 . 1 1 27 27 TRP HD1 H 1 6.99 0.02 . 1 . . . . 27 TRP HD1 . 16316 1 287 . 1 1 27 27 TRP HE1 H 1 10.10 0.02 . 1 . . . . 27 TRP HE1 . 16316 1 288 . 1 1 27 27 TRP HE3 H 1 6.99 0.02 . 1 . . . . 27 TRP HE3 . 16316 1 289 . 1 1 27 27 TRP HH2 H 1 7.24 0.02 . 1 . . . . 27 TRP HH2 . 16316 1 290 . 1 1 27 27 TRP HZ2 H 1 7.69 0.02 . 1 . . . . 27 TRP HZ2 . 16316 1 291 . 1 1 27 27 TRP HZ3 H 1 6.75 0.02 . 1 . . . . 27 TRP HZ3 . 16316 1 292 . 1 1 27 27 TRP C C 13 176.8 0.2 . 1 . . . . 27 TRP C . 16316 1 293 . 1 1 27 27 TRP CA C 13 54.5 0.2 . 1 . . . . 27 TRP CA . 16316 1 294 . 1 1 27 27 TRP CB C 13 31.4 0.2 . 1 . . . . 27 TRP CB . 16316 1 295 . 1 1 27 27 TRP CD1 C 13 123.7 0.2 . 1 . . . . 27 TRP CD1 . 16316 1 296 . 1 1 27 27 TRP CE3 C 13 120.5 0.2 . 1 . . . . 27 TRP CE3 . 16316 1 297 . 1 1 27 27 TRP CH2 C 13 124.9 0.2 . 1 . . . . 27 TRP CH2 . 16316 1 298 . 1 1 27 27 TRP CZ2 C 13 114.6 0.2 . 1 . . . . 27 TRP CZ2 . 16316 1 299 . 1 1 27 27 TRP CZ3 C 13 121.9 0.2 . 1 . . . . 27 TRP CZ3 . 16316 1 300 . 1 1 27 27 TRP N N 15 123.2 0.2 . 1 . . . . 27 TRP N . 16316 1 301 . 1 1 27 27 TRP NE1 N 15 128.0 0.2 . 1 . . . . 27 TRP NE1 . 16316 1 302 . 1 1 28 28 SER H H 1 9.07 0.02 . 1 . . . . 28 SER H . 16316 1 303 . 1 1 28 28 SER HA H 1 4.44 0.02 . 1 . . . . 28 SER HA . 16316 1 304 . 1 1 28 28 SER HB2 H 1 4.10 0.02 . 2 . . . . 28 SER HB2 . 16316 1 305 . 1 1 28 28 SER HB3 H 1 4.38 0.02 . 2 . . . . 28 SER HB3 . 16316 1 306 . 1 1 28 28 SER C C 13 174.7 0.2 . 1 . . . . 28 SER C . 16316 1 307 . 1 1 28 28 SER CA C 13 57.7 0.2 . 1 . . . . 28 SER CA . 16316 1 308 . 1 1 28 28 SER CB C 13 64.5 0.2 . 1 . . . . 28 SER CB . 16316 1 309 . 1 1 28 28 SER N N 15 119.9 0.2 . 1 . . . . 28 SER N . 16316 1 310 . 1 1 29 29 GLU H H 1 9.15 0.02 . 1 . . . . 29 GLU H . 16316 1 311 . 1 1 29 29 GLU HA H 1 4.04 0.02 . 1 . . . . 29 GLU HA . 16316 1 312 . 1 1 29 29 GLU HB2 H 1 2.07 0.02 . 2 . . . . 29 GLU HB2 . 16316 1 313 . 1 1 29 29 GLU HB3 H 1 2.12 0.02 . 2 . . . . 29 GLU HB3 . 16316 1 314 . 1 1 29 29 GLU HG2 H 1 2.28 0.02 . 2 . . . . 29 GLU HG2 . 16316 1 315 . 1 1 29 29 GLU HG3 H 1 2.39 0.02 . 2 . . . . 29 GLU HG3 . 16316 1 316 . 1 1 29 29 GLU C C 13 178.9 0.2 . 1 . . . . 29 GLU C . 16316 1 317 . 1 1 29 29 GLU CA C 13 60.3 0.2 . 1 . . . . 29 GLU CA . 16316 1 318 . 1 1 29 29 GLU CB C 13 29.3 0.2 . 1 . . . . 29 GLU CB . 16316 1 319 . 1 1 29 29 GLU CG C 13 36.6 0.2 . 1 . . . . 29 GLU CG . 16316 1 320 . 1 1 29 29 GLU N N 15 122.8 0.2 . 1 . . . . 29 GLU N . 16316 1 321 . 1 1 30 30 ASP H H 1 8.60 0.02 . 1 . . . . 30 ASP H . 16316 1 322 . 1 1 30 30 ASP HA H 1 4.38 0.02 . 1 . . . . 30 ASP HA . 16316 1 323 . 1 1 30 30 ASP HB2 H 1 2.60 0.02 . 2 . . . . 30 ASP HB2 . 16316 1 324 . 1 1 30 30 ASP HB3 H 1 2.66 0.02 . 2 . . . . 30 ASP HB3 . 16316 1 325 . 1 1 30 30 ASP C C 13 178.3 0.2 . 1 . . . . 30 ASP C . 16316 1 326 . 1 1 30 30 ASP CA C 13 57.2 0.2 . 1 . . . . 30 ASP CA . 16316 1 327 . 1 1 30 30 ASP CB C 13 40.7 0.2 . 1 . . . . 30 ASP CB . 16316 1 328 . 1 1 30 30 ASP N N 15 117.3 0.2 . 1 . . . . 30 ASP N . 16316 1 329 . 1 1 31 31 TYR H H 1 8.04 0.02 . 1 . . . . 31 TYR H . 16316 1 330 . 1 1 31 31 TYR HA H 1 4.21 0.02 . 1 . . . . 31 TYR HA . 16316 1 331 . 1 1 31 31 TYR HB2 H 1 2.78 0.02 . 2 . . . . 31 TYR HB2 . 16316 1 332 . 1 1 31 31 TYR HB3 H 1 2.98 0.02 . 2 . . . . 31 TYR HB3 . 16316 1 333 . 1 1 31 31 TYR HD1 H 1 6.39 0.02 . 3 . . . . 31 TYR HD1 . 16316 1 334 . 1 1 31 31 TYR HE1 H 1 5.71 0.02 . 3 . . . . 31 TYR HE1 . 16316 1 335 . 1 1 31 31 TYR C C 13 178.0 0.2 . 1 . . . . 31 TYR C . 16316 1 336 . 1 1 31 31 TYR CA C 13 61.4 0.2 . 1 . . . . 31 TYR CA . 16316 1 337 . 1 1 31 31 TYR CB C 13 38.8 0.2 . 1 . . . . 31 TYR CB . 16316 1 338 . 1 1 31 31 TYR CD1 C 13 132.5 0.2 . 3 . . . . 31 TYR CD1 . 16316 1 339 . 1 1 31 31 TYR CE1 C 13 118.1 0.2 . 3 . . . . 31 TYR CE1 . 16316 1 340 . 1 1 31 31 TYR N N 15 123.7 0.2 . 1 . . . . 31 TYR N . 16316 1 341 . 1 1 32 32 GLN H H 1 8.97 0.02 . 1 . . . . 32 GLN H . 16316 1 342 . 1 1 32 32 GLN HA H 1 3.98 0.02 . 1 . . . . 32 GLN HA . 16316 1 343 . 1 1 32 32 GLN HB2 H 1 2.41 0.02 . 2 . . . . 32 GLN HB2 . 16316 1 344 . 1 1 32 32 GLN HB3 H 1 2.45 0.02 . 2 . . . . 32 GLN HB3 . 16316 1 345 . 1 1 32 32 GLN HE21 H 1 7.00 0.02 . 2 . . . . 32 GLN HE21 . 16316 1 346 . 1 1 32 32 GLN HE22 H 1 6.65 0.02 . 2 . . . . 32 GLN HE22 . 16316 1 347 . 1 1 32 32 GLN HG2 H 1 2.28 0.02 . 2 . . . . 32 GLN HG2 . 16316 1 348 . 1 1 32 32 GLN HG3 H 1 2.69 0.02 . 2 . . . . 32 GLN HG3 . 16316 1 349 . 1 1 32 32 GLN C C 13 178.0 0.2 . 1 . . . . 32 GLN C . 16316 1 350 . 1 1 32 32 GLN CA C 13 60.3 0.2 . 1 . . . . 32 GLN CA . 16316 1 351 . 1 1 32 32 GLN CB C 13 29.5 0.2 . 1 . . . . 32 GLN CB . 16316 1 352 . 1 1 32 32 GLN CD C 13 179.0 0.2 . 1 . . . . 32 GLN CD . 16316 1 353 . 1 1 32 32 GLN CG C 13 35.1 0.2 . 1 . . . . 32 GLN CG . 16316 1 354 . 1 1 32 32 GLN N N 15 117.5 0.2 . 1 . . . . 32 GLN N . 16316 1 355 . 1 1 32 32 GLN NE2 N 15 111.7 0.2 . 1 . . . . 32 GLN NE2 . 16316 1 356 . 1 1 33 33 ARG H H 1 8.04 0.02 . 1 . . . . 33 ARG H . 16316 1 357 . 1 1 33 33 ARG HA H 1 4.21 0.02 . 1 . . . . 33 ARG HA . 16316 1 358 . 1 1 33 33 ARG HB2 H 1 1.98 0.02 . 2 . . . . 33 ARG HB2 . 16316 1 359 . 1 1 33 33 ARG HB3 H 1 2.02 0.02 . 2 . . . . 33 ARG HB3 . 16316 1 360 . 1 1 33 33 ARG HD2 H 1 3.22 0.02 . 2 . . . . 33 ARG HD2 . 16316 1 361 . 1 1 33 33 ARG HD3 H 1 3.28 0.02 . 2 . . . . 33 ARG HD3 . 16316 1 362 . 1 1 33 33 ARG HE H 1 7.36 0.02 . 1 . . . . 33 ARG HE . 16316 1 363 . 1 1 33 33 ARG HG2 H 1 1.68 0.02 . 2 . . . . 33 ARG HG2 . 16316 1 364 . 1 1 33 33 ARG HG3 H 1 1.85 0.02 . 2 . . . . 33 ARG HG3 . 16316 1 365 . 1 1 33 33 ARG C C 13 179.4 0.2 . 1 . . . . 33 ARG C . 16316 1 366 . 1 1 33 33 ARG CA C 13 59.7 0.2 . 1 . . . . 33 ARG CA . 16316 1 367 . 1 1 33 33 ARG CB C 13 30.0 0.2 . 1 . . . . 33 ARG CB . 16316 1 368 . 1 1 33 33 ARG CD C 13 43.3 0.2 . 1 . . . . 33 ARG CD . 16316 1 369 . 1 1 33 33 ARG CG C 13 27.7 0.2 . 1 . . . . 33 ARG CG . 16316 1 370 . 1 1 33 33 ARG N N 15 117.0 0.2 . 1 . . . . 33 ARG N . 16316 1 371 . 1 1 33 33 ARG NE N 15 116.4 0.2 . 1 . . . . 33 ARG NE . 16316 1 372 . 1 1 34 34 SER H H 1 7.82 0.02 . 1 . . . . 34 SER H . 16316 1 373 . 1 1 34 34 SER HA H 1 4.16 0.02 . 1 . . . . 34 SER HA . 16316 1 374 . 1 1 34 34 SER HB2 H 1 3.83 0.02 . 2 . . . . 34 SER HB2 . 16316 1 375 . 1 1 34 34 SER HB3 H 1 3.89 0.02 . 2 . . . . 34 SER HB3 . 16316 1 376 . 1 1 34 34 SER C C 13 176.2 0.2 . 1 . . . . 34 SER C . 16316 1 377 . 1 1 34 34 SER CA C 13 61.6 0.2 . 1 . . . . 34 SER CA . 16316 1 378 . 1 1 34 34 SER CB C 13 62.9 0.2 . 1 . . . . 34 SER CB . 16316 1 379 . 1 1 34 34 SER N N 15 116.8 0.2 . 1 . . . . 34 SER N . 16316 1 380 . 1 1 35 35 VAL H H 1 8.14 0.02 . 1 . . . . 35 VAL H . 16316 1 381 . 1 1 35 35 VAL HA H 1 3.19 0.02 . 1 . . . . 35 VAL HA . 16316 1 382 . 1 1 35 35 VAL HB H 1 2.09 0.02 . 1 . . . . 35 VAL HB . 16316 1 383 . 1 1 35 35 VAL HG11 H 1 0.51 0.02 . 1 . . . . 35 VAL HG1 . 16316 1 384 . 1 1 35 35 VAL HG12 H 1 0.51 0.02 . 1 . . . . 35 VAL HG1 . 16316 1 385 . 1 1 35 35 VAL HG13 H 1 0.51 0.02 . 1 . . . . 35 VAL HG1 . 16316 1 386 . 1 1 35 35 VAL HG21 H 1 0.05 0.02 . 1 . . . . 35 VAL HG2 . 16316 1 387 . 1 1 35 35 VAL HG22 H 1 0.05 0.02 . 1 . . . . 35 VAL HG2 . 16316 1 388 . 1 1 35 35 VAL HG23 H 1 0.05 0.02 . 1 . . . . 35 VAL HG2 . 16316 1 389 . 1 1 35 35 VAL C C 13 177.8 0.2 . 1 . . . . 35 VAL C . 16316 1 390 . 1 1 35 35 VAL CA C 13 66.8 0.2 . 1 . . . . 35 VAL CA . 16316 1 391 . 1 1 35 35 VAL CB C 13 32.2 0.2 . 1 . . . . 35 VAL CB . 16316 1 392 . 1 1 35 35 VAL CG1 C 13 19.4 0.2 . 1 . . . . 35 VAL CG1 . 16316 1 393 . 1 1 35 35 VAL CG2 C 13 21.4 0.2 . 1 . . . . 35 VAL CG2 . 16316 1 394 . 1 1 35 35 VAL N N 15 121.6 0.2 . 1 . . . . 35 VAL N . 16316 1 395 . 1 1 36 36 TRP H H 1 8.59 0.02 . 1 . . . . 36 TRP H . 16316 1 396 . 1 1 36 36 TRP HA H 1 3.78 0.02 . 1 . . . . 36 TRP HA . 16316 1 397 . 1 1 36 36 TRP HB2 H 1 3.01 0.02 . 2 . . . . 36 TRP HB2 . 16316 1 398 . 1 1 36 36 TRP HB3 H 1 3.07 0.02 . 2 . . . . 36 TRP HB3 . 16316 1 399 . 1 1 36 36 TRP HD1 H 1 7.04 0.02 . 1 . . . . 36 TRP HD1 . 16316 1 400 . 1 1 36 36 TRP HE1 H 1 10.05 0.02 . 1 . . . . 36 TRP HE1 . 16316 1 401 . 1 1 36 36 TRP HE3 H 1 6.12 0.02 . 1 . . . . 36 TRP HE3 . 16316 1 402 . 1 1 36 36 TRP HH2 H 1 7.06 0.02 . 1 . . . . 36 TRP HH2 . 16316 1 403 . 1 1 36 36 TRP HZ2 H 1 7.51 0.02 . 1 . . . . 36 TRP HZ2 . 16316 1 404 . 1 1 36 36 TRP HZ3 H 1 6.65 0.02 . 1 . . . . 36 TRP HZ3 . 16316 1 405 . 1 1 36 36 TRP C C 13 178.0 0.2 . 1 . . . . 36 TRP C . 16316 1 406 . 1 1 36 36 TRP CA C 13 61.1 0.2 . 1 . . . . 36 TRP CA . 16316 1 407 . 1 1 36 36 TRP CB C 13 29.0 0.2 . 1 . . . . 36 TRP CB . 16316 1 408 . 1 1 36 36 TRP CD1 C 13 127.9 0.2 . 1 . . . . 36 TRP CD1 . 16316 1 409 . 1 1 36 36 TRP CE3 C 13 120.8 0.2 . 1 . . . . 36 TRP CE3 . 16316 1 410 . 1 1 36 36 TRP CH2 C 13 123.6 0.2 . 1 . . . . 36 TRP CH2 . 16316 1 411 . 1 1 36 36 TRP CZ2 C 13 114.7 0.2 . 1 . . . . 36 TRP CZ2 . 16316 1 412 . 1 1 36 36 TRP CZ3 C 13 120.2 0.2 . 1 . . . . 36 TRP CZ3 . 16316 1 413 . 1 1 36 36 TRP N N 15 118.7 0.2 . 1 . . . . 36 TRP N . 16316 1 414 . 1 1 36 36 TRP NE1 N 15 129.4 0.2 . 1 . . . . 36 TRP NE1 . 16316 1 415 . 1 1 37 37 THR H H 1 8.38 0.02 . 1 . . . . 37 THR H . 16316 1 416 . 1 1 37 37 THR HA H 1 3.99 0.02 . 1 . . . . 37 THR HA . 16316 1 417 . 1 1 37 37 THR HB H 1 4.26 0.02 . 1 . . . . 37 THR HB . 16316 1 418 . 1 1 37 37 THR HG21 H 1 1.25 0.02 . 1 . . . . 37 THR HG2 . 16316 1 419 . 1 1 37 37 THR HG22 H 1 1.25 0.02 . 1 . . . . 37 THR HG2 . 16316 1 420 . 1 1 37 37 THR HG23 H 1 1.25 0.02 . 1 . . . . 37 THR HG2 . 16316 1 421 . 1 1 37 37 THR C C 13 178.1 0.2 . 1 . . . . 37 THR C . 16316 1 422 . 1 1 37 37 THR CA C 13 66.4 0.2 . 1 . . . . 37 THR CA . 16316 1 423 . 1 1 37 37 THR CB C 13 68.6 0.2 . 1 . . . . 37 THR CB . 16316 1 424 . 1 1 37 37 THR CG2 C 13 21.3 0.2 . 1 . . . . 37 THR CG2 . 16316 1 425 . 1 1 37 37 THR N N 15 111.6 0.2 . 1 . . . . 37 THR N . 16316 1 426 . 1 1 38 38 ARG H H 1 8.02 0.02 . 1 . . . . 38 ARG H . 16316 1 427 . 1 1 38 38 ARG HA H 1 4.09 0.02 . 1 . . . . 38 ARG HA . 16316 1 428 . 1 1 38 38 ARG HB2 H 1 1.77 0.02 . 2 . . . . 38 ARG HB2 . 16316 1 429 . 1 1 38 38 ARG HB3 H 1 2.26 0.02 . 2 . . . . 38 ARG HB3 . 16316 1 430 . 1 1 38 38 ARG HD2 H 1 3.00 0.02 . 2 . . . . 38 ARG HD2 . 16316 1 431 . 1 1 38 38 ARG HD3 H 1 3.24 0.02 . 2 . . . . 38 ARG HD3 . 16316 1 432 . 1 1 38 38 ARG HG2 H 1 1.77 0.02 . 2 . . . . 38 ARG HG2 . 16316 1 433 . 1 1 38 38 ARG HG3 H 1 2.22 0.02 . 2 . . . . 38 ARG HG3 . 16316 1 434 . 1 1 38 38 ARG C C 13 178.7 0.2 . 1 . . . . 38 ARG C . 16316 1 435 . 1 1 38 38 ARG CA C 13 60.5 0.2 . 1 . . . . 38 ARG CA . 16316 1 436 . 1 1 38 38 ARG CB C 13 30.2 0.2 . 1 . . . . 38 ARG CB . 16316 1 437 . 1 1 38 38 ARG CD C 13 44.3 0.2 . 1 . . . . 38 ARG CD . 16316 1 438 . 1 1 38 38 ARG CG C 13 29.2 0.2 . 1 . . . . 38 ARG CG . 16316 1 439 . 1 1 38 38 ARG N N 15 123.5 0.2 . 1 . . . . 38 ARG N . 16316 1 440 . 1 1 39 39 LEU H H 1 7.98 0.02 . 1 . . . . 39 LEU H . 16316 1 441 . 1 1 39 39 LEU HA H 1 3.50 0.02 . 1 . . . . 39 LEU HA . 16316 1 442 . 1 1 39 39 LEU HB2 H 1 -0.15 0.02 . 2 . . . . 39 LEU HB2 . 16316 1 443 . 1 1 39 39 LEU HB3 H 1 1.01 0.02 . 2 . . . . 39 LEU HB3 . 16316 1 444 . 1 1 39 39 LEU HD11 H 1 0.73 0.02 . 1 . . . . 39 LEU HD1 . 16316 1 445 . 1 1 39 39 LEU HD12 H 1 0.73 0.02 . 1 . . . . 39 LEU HD1 . 16316 1 446 . 1 1 39 39 LEU HD13 H 1 0.73 0.02 . 1 . . . . 39 LEU HD1 . 16316 1 447 . 1 1 39 39 LEU HD21 H 1 0.75 0.02 . 1 . . . . 39 LEU HD2 . 16316 1 448 . 1 1 39 39 LEU HD22 H 1 0.75 0.02 . 1 . . . . 39 LEU HD2 . 16316 1 449 . 1 1 39 39 LEU HD23 H 1 0.75 0.02 . 1 . . . . 39 LEU HD2 . 16316 1 450 . 1 1 39 39 LEU HG H 1 1.81 0.02 . 1 . . . . 39 LEU HG . 16316 1 451 . 1 1 39 39 LEU C C 13 179.2 0.2 . 1 . . . . 39 LEU C . 16316 1 452 . 1 1 39 39 LEU CA C 13 58.3 0.2 . 1 . . . . 39 LEU CA . 16316 1 453 . 1 1 39 39 LEU CB C 13 40.6 0.2 . 1 . . . . 39 LEU CB . 16316 1 454 . 1 1 39 39 LEU CD1 C 13 26.3 0.2 . 1 . . . . 39 LEU CD1 . 16316 1 455 . 1 1 39 39 LEU CD2 C 13 24.0 0.2 . 1 . . . . 39 LEU CD2 . 16316 1 456 . 1 1 39 39 LEU CG C 13 26.1 0.2 . 1 . . . . 39 LEU CG . 16316 1 457 . 1 1 39 39 LEU N N 15 120.0 0.2 . 1 . . . . 39 LEU N . 16316 1 458 . 1 1 40 40 GLU H H 1 8.17 0.02 . 1 . . . . 40 GLU H . 16316 1 459 . 1 1 40 40 GLU HA H 1 3.53 0.02 . 1 . . . . 40 GLU HA . 16316 1 460 . 1 1 40 40 GLU HB2 H 1 1.83 0.02 . 2 . . . . 40 GLU HB2 . 16316 1 461 . 1 1 40 40 GLU HB3 H 1 1.87 0.02 . 2 . . . . 40 GLU HB3 . 16316 1 462 . 1 1 40 40 GLU HG2 H 1 1.83 0.02 . 2 . . . . 40 GLU HG2 . 16316 1 463 . 1 1 40 40 GLU HG3 H 1 1.99 0.02 . 2 . . . . 40 GLU HG3 . 16316 1 464 . 1 1 40 40 GLU C C 13 178.0 0.2 . 1 . . . . 40 GLU C . 16316 1 465 . 1 1 40 40 GLU CA C 13 59.4 0.2 . 1 . . . . 40 GLU CA . 16316 1 466 . 1 1 40 40 GLU CB C 13 30.2 0.2 . 1 . . . . 40 GLU CB . 16316 1 467 . 1 1 40 40 GLU CG C 13 36.1 0.2 . 1 . . . . 40 GLU CG . 16316 1 468 . 1 1 40 40 GLU N N 15 119.2 0.2 . 1 . . . . 40 GLU N . 16316 1 469 . 1 1 41 41 THR H H 1 7.95 0.02 . 1 . . . . 41 THR H . 16316 1 470 . 1 1 41 41 THR HA H 1 3.70 0.02 . 1 . . . . 41 THR HA . 16316 1 471 . 1 1 41 41 THR HB H 1 3.40 0.02 . 1 . . . . 41 THR HB . 16316 1 472 . 1 1 41 41 THR HG21 H 1 0.25 0.02 . 1 . . . . 41 THR HG2 . 16316 1 473 . 1 1 41 41 THR HG22 H 1 0.25 0.02 . 1 . . . . 41 THR HG2 . 16316 1 474 . 1 1 41 41 THR HG23 H 1 0.25 0.02 . 1 . . . . 41 THR HG2 . 16316 1 475 . 1 1 41 41 THR C C 13 175.4 0.2 . 1 . . . . 41 THR C . 16316 1 476 . 1 1 41 41 THR CA C 13 65.8 0.2 . 1 . . . . 41 THR CA . 16316 1 477 . 1 1 41 41 THR CB C 13 69.7 0.2 . 1 . . . . 41 THR CB . 16316 1 478 . 1 1 41 41 THR CG2 C 13 19.6 0.2 . 1 . . . . 41 THR CG2 . 16316 1 479 . 1 1 41 41 THR N N 15 112.2 0.2 . 1 . . . . 41 THR N . 16316 1 480 . 1 1 42 42 TYR H H 1 7.84 0.02 . 1 . . . . 42 TYR H . 16316 1 481 . 1 1 42 42 TYR HA H 1 4.68 0.02 . 1 . . . . 42 TYR HA . 16316 1 482 . 1 1 42 42 TYR HB2 H 1 2.63 0.02 . 2 . . . . 42 TYR HB2 . 16316 1 483 . 1 1 42 42 TYR HB3 H 1 3.14 0.02 . 2 . . . . 42 TYR HB3 . 16316 1 484 . 1 1 42 42 TYR HD1 H 1 7.20 0.02 . 3 . . . . 42 TYR HD1 . 16316 1 485 . 1 1 42 42 TYR HE1 H 1 6.75 0.02 . 3 . . . . 42 TYR HE1 . 16316 1 486 . 1 1 42 42 TYR C C 13 176.4 0.2 . 1 . . . . 42 TYR C . 16316 1 487 . 1 1 42 42 TYR CA C 13 59.7 0.2 . 1 . . . . 42 TYR CA . 16316 1 488 . 1 1 42 42 TYR CB C 13 40.4 0.2 . 1 . . . . 42 TYR CB . 16316 1 489 . 1 1 42 42 TYR CD1 C 13 133.2 0.2 . 3 . . . . 42 TYR CD1 . 16316 1 490 . 1 1 42 42 TYR CE1 C 13 117.8 0.2 . 3 . . . . 42 TYR CE1 . 16316 1 491 . 1 1 42 42 TYR N N 15 112.9 0.2 . 1 . . . . 42 TYR N . 16316 1 492 . 1 1 43 43 LEU H H 1 7.81 0.02 . 1 . . . . 43 LEU H . 16316 1 493 . 1 1 43 43 LEU HA H 1 4.92 0.02 . 1 . . . . 43 LEU HA . 16316 1 494 . 1 1 43 43 LEU HB2 H 1 1.42 0.02 . 2 . . . . 43 LEU HB2 . 16316 1 495 . 1 1 43 43 LEU HB3 H 1 1.53 0.02 . 2 . . . . 43 LEU HB3 . 16316 1 496 . 1 1 43 43 LEU HD11 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16316 1 497 . 1 1 43 43 LEU HD12 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16316 1 498 . 1 1 43 43 LEU HD13 H 1 0.87 0.02 . 1 . . . . 43 LEU HD1 . 16316 1 499 . 1 1 43 43 LEU HD21 H 1 0.82 0.02 . 1 . . . . 43 LEU HD2 . 16316 1 500 . 1 1 43 43 LEU HD22 H 1 0.82 0.02 . 1 . . . . 43 LEU HD2 . 16316 1 501 . 1 1 43 43 LEU HD23 H 1 0.82 0.02 . 1 . . . . 43 LEU HD2 . 16316 1 502 . 1 1 43 43 LEU HG H 1 1.44 0.02 . 1 . . . . 43 LEU HG . 16316 1 503 . 1 1 43 43 LEU C C 13 175.9 0.2 . 1 . . . . 43 LEU C . 16316 1 504 . 1 1 43 43 LEU CA C 13 55.7 0.2 . 1 . . . . 43 LEU CA . 16316 1 505 . 1 1 43 43 LEU CB C 13 45.4 0.2 . 1 . . . . 43 LEU CB . 16316 1 506 . 1 1 43 43 LEU CD1 C 13 24.2 0.2 . 1 . . . . 43 LEU CD1 . 16316 1 507 . 1 1 43 43 LEU CD2 C 13 25.0 0.2 . 1 . . . . 43 LEU CD2 . 16316 1 508 . 1 1 43 43 LEU CG C 13 26.9 0.2 . 1 . . . . 43 LEU CG . 16316 1 509 . 1 1 43 43 LEU N N 15 118.1 0.2 . 1 . . . . 43 LEU N . 16316 1 510 . 1 1 44 44 PHE H H 1 8.29 0.02 . 1 . . . . 44 PHE H . 16316 1 511 . 1 1 44 44 PHE HA H 1 4.47 0.02 . 1 . . . . 44 PHE HA . 16316 1 512 . 1 1 44 44 PHE HB2 H 1 3.41 0.02 . 2 . . . . 44 PHE HB2 . 16316 1 513 . 1 1 44 44 PHE HB3 H 1 3.47 0.02 . 2 . . . . 44 PHE HB3 . 16316 1 514 . 1 1 44 44 PHE HD1 H 1 7.03 0.02 . 3 . . . . 44 PHE HD1 . 16316 1 515 . 1 1 44 44 PHE HE1 H 1 6.78 0.02 . 3 . . . . 44 PHE HE1 . 16316 1 516 . 1 1 44 44 PHE HZ H 1 6.58 0.02 . 1 . . . . 44 PHE HZ . 16316 1 517 . 1 1 44 44 PHE CA C 13 57.3 0.2 . 1 . . . . 44 PHE CA . 16316 1 518 . 1 1 44 44 PHE CB C 13 34.7 0.2 . 1 . . . . 44 PHE CB . 16316 1 519 . 1 1 44 44 PHE CD1 C 13 128.7 0.2 . 3 . . . . 44 PHE CD1 . 16316 1 520 . 1 1 44 44 PHE CE1 C 13 131.3 0.2 . 3 . . . . 44 PHE CE1 . 16316 1 521 . 1 1 44 44 PHE CZ C 13 130.5 0.2 . 1 . . . . 44 PHE CZ . 16316 1 522 . 1 1 44 44 PHE N N 15 117.6 0.2 . 1 . . . . 44 PHE N . 16316 1 523 . 1 1 45 45 PRO HA H 1 4.31 0.02 . 1 . . . . 45 PRO HA . 16316 1 524 . 1 1 45 45 PRO HB2 H 1 1.74 0.02 . 2 . . . . 45 PRO HB2 . 16316 1 525 . 1 1 45 45 PRO HB3 H 1 2.32 0.02 . 2 . . . . 45 PRO HB3 . 16316 1 526 . 1 1 45 45 PRO HD2 H 1 3.10 0.02 . 2 . . . . 45 PRO HD2 . 16316 1 527 . 1 1 45 45 PRO HD3 H 1 3.84 0.02 . 2 . . . . 45 PRO HD3 . 16316 1 528 . 1 1 45 45 PRO HG2 H 1 1.89 0.02 . 2 . . . . 45 PRO HG2 . 16316 1 529 . 1 1 45 45 PRO HG3 H 1 2.01 0.02 . 2 . . . . 45 PRO HG3 . 16316 1 530 . 1 1 45 45 PRO C C 13 177.5 0.2 . 1 . . . . 45 PRO C . 16316 1 531 . 1 1 45 45 PRO CA C 13 67.3 0.2 . 1 . . . . 45 PRO CA . 16316 1 532 . 1 1 45 45 PRO CB C 13 30.6 0.2 . 1 . . . . 45 PRO CB . 16316 1 533 . 1 1 45 45 PRO CD C 13 51.3 0.2 . 1 . . . . 45 PRO CD . 16316 1 534 . 1 1 45 45 PRO CG C 13 29.0 0.2 . 1 . . . . 45 PRO CG . 16316 1 535 . 1 1 46 46 ASP H H 1 7.37 0.02 . 1 . . . . 46 ASP H . 16316 1 536 . 1 1 46 46 ASP HA H 1 4.79 0.02 . 1 . . . . 46 ASP HA . 16316 1 537 . 1 1 46 46 ASP HB2 H 1 2.39 0.02 . 2 . . . . 46 ASP HB2 . 16316 1 538 . 1 1 46 46 ASP HB3 H 1 2.70 0.02 . 2 . . . . 46 ASP HB3 . 16316 1 539 . 1 1 46 46 ASP C C 13 178.0 0.2 . 1 . . . . 46 ASP C . 16316 1 540 . 1 1 46 46 ASP CA C 13 56.7 0.2 . 1 . . . . 46 ASP CA . 16316 1 541 . 1 1 46 46 ASP CB C 13 43.1 0.2 . 1 . . . . 46 ASP CB . 16316 1 542 . 1 1 46 46 ASP N N 15 112.2 0.2 . 1 . . . . 46 ASP N . 16316 1 543 . 1 1 47 47 ILE H H 1 7.28 0.02 . 1 . . . . 47 ILE H . 16316 1 544 . 1 1 47 47 ILE HA H 1 4.74 0.02 . 1 . . . . 47 ILE HA . 16316 1 545 . 1 1 47 47 ILE HB H 1 1.98 0.02 . 1 . . . . 47 ILE HB . 16316 1 546 . 1 1 47 47 ILE HD11 H 1 -0.11 0.02 . 1 . . . . 47 ILE HD1 . 16316 1 547 . 1 1 47 47 ILE HD12 H 1 -0.11 0.02 . 1 . . . . 47 ILE HD1 . 16316 1 548 . 1 1 47 47 ILE HD13 H 1 -0.11 0.02 . 1 . . . . 47 ILE HD1 . 16316 1 549 . 1 1 47 47 ILE HG12 H 1 0.53 0.02 . 2 . . . . 47 ILE HG12 . 16316 1 550 . 1 1 47 47 ILE HG13 H 1 0.84 0.02 . 2 . . . . 47 ILE HG13 . 16316 1 551 . 1 1 47 47 ILE HG21 H 1 0.62 0.02 . 1 . . . . 47 ILE HG2 . 16316 1 552 . 1 1 47 47 ILE HG22 H 1 0.62 0.02 . 1 . . . . 47 ILE HG2 . 16316 1 553 . 1 1 47 47 ILE HG23 H 1 0.62 0.02 . 1 . . . . 47 ILE HG2 . 16316 1 554 . 1 1 47 47 ILE C C 13 177.0 0.2 . 1 . . . . 47 ILE C . 16316 1 555 . 1 1 47 47 ILE CA C 13 60.8 0.2 . 1 . . . . 47 ILE CA . 16316 1 556 . 1 1 47 47 ILE CB C 13 40.9 0.2 . 1 . . . . 47 ILE CB . 16316 1 557 . 1 1 47 47 ILE CD1 C 13 13.8 0.2 . 1 . . . . 47 ILE CD1 . 16316 1 558 . 1 1 47 47 ILE CG1 C 13 26.1 0.2 . 1 . . . . 47 ILE CG1 . 16316 1 559 . 1 1 47 47 ILE CG2 C 13 18.0 0.2 . 1 . . . . 47 ILE CG2 . 16316 1 560 . 1 1 47 47 ILE N N 15 107.1 0.2 . 1 . . . . 47 ILE N . 16316 1 561 . 1 1 48 48 GLY H H 1 9.25 0.02 . 1 . . . . 48 GLY H . 16316 1 562 . 1 1 48 48 GLY HA2 H 1 3.68 0.02 . 2 . . . . 48 GLY HA2 . 16316 1 563 . 1 1 48 48 GLY HA3 H 1 4.05 0.02 . 2 . . . . 48 GLY HA3 . 16316 1 564 . 1 1 48 48 GLY C C 13 173.4 0.2 . 1 . . . . 48 GLY C . 16316 1 565 . 1 1 48 48 GLY CA C 13 48.1 0.2 . 1 . . . . 48 GLY CA . 16316 1 566 . 1 1 48 48 GLY N N 15 109.8 0.2 . 1 . . . . 48 GLY N . 16316 1 567 . 1 1 49 49 ASN H H 1 8.47 0.02 . 1 . . . . 49 ASN H . 16316 1 568 . 1 1 49 49 ASN HA H 1 4.90 0.02 . 1 . . . . 49 ASN HA . 16316 1 569 . 1 1 49 49 ASN HB2 H 1 2.70 0.02 . 2 . . . . 49 ASN HB2 . 16316 1 570 . 1 1 49 49 ASN HB3 H 1 2.92 0.02 . 2 . . . . 49 ASN HB3 . 16316 1 571 . 1 1 49 49 ASN HD21 H 1 7.55 0.02 . 2 . . . . 49 ASN HD21 . 16316 1 572 . 1 1 49 49 ASN HD22 H 1 6.93 0.02 . 2 . . . . 49 ASN HD22 . 16316 1 573 . 1 1 49 49 ASN C C 13 175.7 0.2 . 1 . . . . 49 ASN C . 16316 1 574 . 1 1 49 49 ASN CA C 13 52.7 0.2 . 1 . . . . 49 ASN CA . 16316 1 575 . 1 1 49 49 ASN CB C 13 38.7 0.2 . 1 . . . . 49 ASN CB . 16316 1 576 . 1 1 49 49 ASN CG C 13 177.2 0.2 . 1 . . . . 49 ASN CG . 16316 1 577 . 1 1 49 49 ASN N N 15 113.9 0.2 . 1 . . . . 49 ASN N . 16316 1 578 . 1 1 49 49 ASN ND2 N 15 113.0 0.2 . 1 . . . . 49 ASN ND2 . 16316 1 579 . 1 1 50 50 LYS H H 1 7.57 0.02 . 1 . . . . 50 LYS H . 16316 1 580 . 1 1 50 50 LYS HA H 1 4.19 0.02 . 1 . . . . 50 LYS HA . 16316 1 581 . 1 1 50 50 LYS HB2 H 1 1.68 0.02 . 2 . . . . 50 LYS HB2 . 16316 1 582 . 1 1 50 50 LYS HB3 H 1 1.88 0.02 . 2 . . . . 50 LYS HB3 . 16316 1 583 . 1 1 50 50 LYS HD2 H 1 1.58 0.02 . 2 . . . . 50 LYS HD2 . 16316 1 584 . 1 1 50 50 LYS HD3 H 1 1.62 0.02 . 2 . . . . 50 LYS HD3 . 16316 1 585 . 1 1 50 50 LYS HE2 H 1 2.97 0.02 . 2 . . . . 50 LYS HE2 . 16316 1 586 . 1 1 50 50 LYS HE3 H 1 3.00 0.02 . 2 . . . . 50 LYS HE3 . 16316 1 587 . 1 1 50 50 LYS HG2 H 1 1.42 0.02 . 2 . . . . 50 LYS HG2 . 16316 1 588 . 1 1 50 50 LYS HG3 H 1 1.46 0.02 . 2 . . . . 50 LYS HG3 . 16316 1 589 . 1 1 50 50 LYS C C 13 175.6 0.2 . 1 . . . . 50 LYS C . 16316 1 590 . 1 1 50 50 LYS CA C 13 56.0 0.2 . 1 . . . . 50 LYS CA . 16316 1 591 . 1 1 50 50 LYS CB C 13 33.0 0.2 . 1 . . . . 50 LYS CB . 16316 1 592 . 1 1 50 50 LYS CD C 13 29.0 0.2 . 1 . . . . 50 LYS CD . 16316 1 593 . 1 1 50 50 LYS CE C 13 42.0 0.2 . 1 . . . . 50 LYS CE . 16316 1 594 . 1 1 50 50 LYS CG C 13 25.7 0.2 . 1 . . . . 50 LYS CG . 16316 1 595 . 1 1 50 50 LYS N N 15 121.7 0.2 . 1 . . . . 50 LYS N . 16316 1 596 . 1 1 51 51 ASP H H 1 8.77 0.02 . 1 . . . . 51 ASP H . 16316 1 597 . 1 1 51 51 ASP HA H 1 4.29 0.02 . 1 . . . . 51 ASP HA . 16316 1 598 . 1 1 51 51 ASP HB2 H 1 2.57 0.02 . 2 . . . . 51 ASP HB2 . 16316 1 599 . 1 1 51 51 ASP HB3 H 1 2.61 0.02 . 2 . . . . 51 ASP HB3 . 16316 1 600 . 1 1 51 51 ASP C C 13 178.6 0.2 . 1 . . . . 51 ASP C . 16316 1 601 . 1 1 51 51 ASP CA C 13 54.6 0.2 . 1 . . . . 51 ASP CA . 16316 1 602 . 1 1 51 51 ASP CB C 13 42.6 0.2 . 1 . . . . 51 ASP CB . 16316 1 603 . 1 1 51 51 ASP N N 15 124.0 0.2 . 1 . . . . 51 ASP N . 16316 1 604 . 1 1 52 52 ILE H H 1 8.87 0.02 . 1 . . . . 52 ILE H . 16316 1 605 . 1 1 52 52 ILE HA H 1 4.13 0.02 . 1 . . . . 52 ILE HA . 16316 1 606 . 1 1 52 52 ILE HB H 1 1.90 0.02 . 1 . . . . 52 ILE HB . 16316 1 607 . 1 1 52 52 ILE HD11 H 1 1.03 0.02 . 1 . . . . 52 ILE HD1 . 16316 1 608 . 1 1 52 52 ILE HD12 H 1 1.03 0.02 . 1 . . . . 52 ILE HD1 . 16316 1 609 . 1 1 52 52 ILE HD13 H 1 1.03 0.02 . 1 . . . . 52 ILE HD1 . 16316 1 610 . 1 1 52 52 ILE HG12 H 1 1.43 0.02 . 2 . . . . 52 ILE HG12 . 16316 1 611 . 1 1 52 52 ILE HG13 H 1 1.65 0.02 . 2 . . . . 52 ILE HG13 . 16316 1 612 . 1 1 52 52 ILE HG21 H 1 1.09 0.02 . 1 . . . . 52 ILE HG2 . 16316 1 613 . 1 1 52 52 ILE HG22 H 1 1.09 0.02 . 1 . . . . 52 ILE HG2 . 16316 1 614 . 1 1 52 52 ILE HG23 H 1 1.09 0.02 . 1 . . . . 52 ILE HG2 . 16316 1 615 . 1 1 52 52 ILE C C 13 175.1 0.2 . 1 . . . . 52 ILE C . 16316 1 616 . 1 1 52 52 ILE CA C 13 63.0 0.2 . 1 . . . . 52 ILE CA . 16316 1 617 . 1 1 52 52 ILE CB C 13 39.6 0.2 . 1 . . . . 52 ILE CB . 16316 1 618 . 1 1 52 52 ILE CD1 C 13 16.5 0.2 . 1 . . . . 52 ILE CD1 . 16316 1 619 . 1 1 52 52 ILE CG1 C 13 29.1 0.2 . 1 . . . . 52 ILE CG1 . 16316 1 620 . 1 1 52 52 ILE CG2 C 13 18.5 0.2 . 1 . . . . 52 ILE CG2 . 16316 1 621 . 1 1 52 52 ILE N N 15 127.1 0.2 . 1 . . . . 52 ILE N . 16316 1 622 . 1 1 53 53 ALA H H 1 8.74 0.02 . 1 . . . . 53 ALA H . 16316 1 623 . 1 1 53 53 ALA HA H 1 4.32 0.02 . 1 . . . . 53 ALA HA . 16316 1 624 . 1 1 53 53 ALA HB1 H 1 1.49 0.02 . 1 . . . . 53 ALA HB . 16316 1 625 . 1 1 53 53 ALA HB2 H 1 1.49 0.02 . 1 . . . . 53 ALA HB . 16316 1 626 . 1 1 53 53 ALA HB3 H 1 1.49 0.02 . 1 . . . . 53 ALA HB . 16316 1 627 . 1 1 53 53 ALA C C 13 178.1 0.2 . 1 . . . . 53 ALA C . 16316 1 628 . 1 1 53 53 ALA CA C 13 53.1 0.2 . 1 . . . . 53 ALA CA . 16316 1 629 . 1 1 53 53 ALA CB C 13 19.3 0.2 . 1 . . . . 53 ALA CB . 16316 1 630 . 1 1 53 53 ALA N N 15 121.5 0.2 . 1 . . . . 53 ALA N . 16316 1 631 . 1 1 54 54 GLU H H 1 8.06 0.02 . 1 . . . . 54 GLU H . 16316 1 632 . 1 1 54 54 GLU HA H 1 4.48 0.02 . 1 . . . . 54 GLU HA . 16316 1 633 . 1 1 54 54 GLU HB2 H 1 2.04 0.02 . 2 . . . . 54 GLU HB2 . 16316 1 634 . 1 1 54 54 GLU HB3 H 1 2.25 0.02 . 2 . . . . 54 GLU HB3 . 16316 1 635 . 1 1 54 54 GLU HG2 H 1 2.22 0.02 . 2 . . . . 54 GLU HG2 . 16316 1 636 . 1 1 54 54 GLU HG3 H 1 2.35 0.02 . 2 . . . . 54 GLU HG3 . 16316 1 637 . 1 1 54 54 GLU C C 13 176.0 0.2 . 1 . . . . 54 GLU C . 16316 1 638 . 1 1 54 54 GLU CA C 13 55.3 0.2 . 1 . . . . 54 GLU CA . 16316 1 639 . 1 1 54 54 GLU CB C 13 30.5 0.2 . 1 . . . . 54 GLU CB . 16316 1 640 . 1 1 54 54 GLU CG C 13 36.4 0.2 . 1 . . . . 54 GLU CG . 16316 1 641 . 1 1 54 54 GLU N N 15 116.6 0.2 . 1 . . . . 54 GLU N . 16316 1 642 . 1 1 55 55 LEU H H 1 6.84 0.02 . 1 . . . . 55 LEU H . 16316 1 643 . 1 1 55 55 LEU HA H 1 4.57 0.02 . 1 . . . . 55 LEU HA . 16316 1 644 . 1 1 55 55 LEU HB2 H 1 1.28 0.02 . 2 . . . . 55 LEU HB2 . 16316 1 645 . 1 1 55 55 LEU HB3 H 1 1.76 0.02 . 2 . . . . 55 LEU HB3 . 16316 1 646 . 1 1 55 55 LEU HD11 H 1 0.88 0.02 . 1 . . . . 55 LEU HD1 . 16316 1 647 . 1 1 55 55 LEU HD12 H 1 0.88 0.02 . 1 . . . . 55 LEU HD1 . 16316 1 648 . 1 1 55 55 LEU HD13 H 1 0.88 0.02 . 1 . . . . 55 LEU HD1 . 16316 1 649 . 1 1 55 55 LEU HD21 H 1 0.76 0.02 . 1 . . . . 55 LEU HD2 . 16316 1 650 . 1 1 55 55 LEU HD22 H 1 0.76 0.02 . 1 . . . . 55 LEU HD2 . 16316 1 651 . 1 1 55 55 LEU HD23 H 1 0.76 0.02 . 1 . . . . 55 LEU HD2 . 16316 1 652 . 1 1 55 55 LEU HG H 1 1.78 0.02 . 1 . . . . 55 LEU HG . 16316 1 653 . 1 1 55 55 LEU C C 13 175.7 0.2 . 1 . . . . 55 LEU C . 16316 1 654 . 1 1 55 55 LEU CA C 13 54.7 0.2 . 1 . . . . 55 LEU CA . 16316 1 655 . 1 1 55 55 LEU CB C 13 44.0 0.2 . 1 . . . . 55 LEU CB . 16316 1 656 . 1 1 55 55 LEU CD1 C 13 27.5 0.2 . 1 . . . . 55 LEU CD1 . 16316 1 657 . 1 1 55 55 LEU CD2 C 13 24.9 0.2 . 1 . . . . 55 LEU CD2 . 16316 1 658 . 1 1 55 55 LEU CG C 13 26.4 0.2 . 1 . . . . 55 LEU CG . 16316 1 659 . 1 1 55 55 LEU N N 15 119.8 0.2 . 1 . . . . 55 LEU N . 16316 1 660 . 1 1 56 56 ASP H H 1 9.30 0.02 . 1 . . . . 56 ASP H . 16316 1 661 . 1 1 56 56 ASP HA H 1 4.93 0.02 . 1 . . . . 56 ASP HA . 16316 1 662 . 1 1 56 56 ASP HB2 H 1 2.76 0.02 . 2 . . . . 56 ASP HB2 . 16316 1 663 . 1 1 56 56 ASP HB3 H 1 2.97 0.02 . 2 . . . . 56 ASP HB3 . 16316 1 664 . 1 1 56 56 ASP C C 13 176.7 0.2 . 1 . . . . 56 ASP C . 16316 1 665 . 1 1 56 56 ASP CA C 13 51.6 0.2 . 1 . . . . 56 ASP CA . 16316 1 666 . 1 1 56 56 ASP CB C 13 43.5 0.2 . 1 . . . . 56 ASP CB . 16316 1 667 . 1 1 56 56 ASP N N 15 124.4 0.2 . 1 . . . . 56 ASP N . 16316 1 668 . 1 1 57 57 THR H H 1 8.66 0.02 . 1 . . . . 57 THR H . 16316 1 669 . 1 1 57 57 THR HA H 1 3.68 0.02 . 1 . . . . 57 THR HA . 16316 1 670 . 1 1 57 57 THR HB H 1 3.97 0.02 . 1 . . . . 57 THR HB . 16316 1 671 . 1 1 57 57 THR HG21 H 1 1.15 0.02 . 1 . . . . 57 THR HG2 . 16316 1 672 . 1 1 57 57 THR HG22 H 1 1.15 0.02 . 1 . . . . 57 THR HG2 . 16316 1 673 . 1 1 57 57 THR HG23 H 1 1.15 0.02 . 1 . . . . 57 THR HG2 . 16316 1 674 . 1 1 57 57 THR C C 13 176.6 0.2 . 1 . . . . 57 THR C . 16316 1 675 . 1 1 57 57 THR CA C 13 67.2 0.2 . 1 . . . . 57 THR CA . 16316 1 676 . 1 1 57 57 THR CB C 13 68.8 0.2 . 1 . . . . 57 THR CB . 16316 1 677 . 1 1 57 57 THR CG2 C 13 22.4 0.2 . 1 . . . . 57 THR CG2 . 16316 1 678 . 1 1 57 57 THR N N 15 115.1 0.2 . 1 . . . . 57 THR N . 16316 1 679 . 1 1 58 58 GLY H H 1 8.49 0.02 . 1 . . . . 58 GLY H . 16316 1 680 . 1 1 58 58 GLY HA2 H 1 3.70 0.02 . 2 . . . . 58 GLY HA2 . 16316 1 681 . 1 1 58 58 GLY HA3 H 1 3.88 0.02 . 2 . . . . 58 GLY HA3 . 16316 1 682 . 1 1 58 58 GLY C C 13 176.2 0.2 . 1 . . . . 58 GLY C . 16316 1 683 . 1 1 58 58 GLY CA C 13 47.2 0.2 . 1 . . . . 58 GLY CA . 16316 1 684 . 1 1 58 58 GLY N N 15 107.9 0.2 . 1 . . . . 58 GLY N . 16316 1 685 . 1 1 59 59 ASP H H 1 7.79 0.02 . 1 . . . . 59 ASP H . 16316 1 686 . 1 1 59 59 ASP HA H 1 4.40 0.02 . 1 . . . . 59 ASP HA . 16316 1 687 . 1 1 59 59 ASP HB2 H 1 2.49 0.02 . 2 . . . . 59 ASP HB2 . 16316 1 688 . 1 1 59 59 ASP HB3 H 1 2.88 0.02 . 2 . . . . 59 ASP HB3 . 16316 1 689 . 1 1 59 59 ASP C C 13 176.9 0.2 . 1 . . . . 59 ASP C . 16316 1 690 . 1 1 59 59 ASP CA C 13 56.9 0.2 . 1 . . . . 59 ASP CA . 16316 1 691 . 1 1 59 59 ASP CB C 13 42.4 0.2 . 1 . . . . 59 ASP CB . 16316 1 692 . 1 1 59 59 ASP N N 15 119.4 0.2 . 1 . . . . 59 ASP N . 16316 1 693 . 1 1 60 60 LEU H H 1 7.32 0.02 . 1 . . . . 60 LEU H . 16316 1 694 . 1 1 60 60 LEU HA H 1 3.87 0.02 . 1 . . . . 60 LEU HA . 16316 1 695 . 1 1 60 60 LEU HB2 H 1 1.32 0.02 . 2 . . . . 60 LEU HB2 . 16316 1 696 . 1 1 60 60 LEU HB3 H 1 1.87 0.02 . 2 . . . . 60 LEU HB3 . 16316 1 697 . 1 1 60 60 LEU HD11 H 1 0.77 0.02 . 1 . . . . 60 LEU HD1 . 16316 1 698 . 1 1 60 60 LEU HD12 H 1 0.77 0.02 . 1 . . . . 60 LEU HD1 . 16316 1 699 . 1 1 60 60 LEU HD13 H 1 0.77 0.02 . 1 . . . . 60 LEU HD1 . 16316 1 700 . 1 1 60 60 LEU HD21 H 1 0.64 0.02 . 1 . . . . 60 LEU HD2 . 16316 1 701 . 1 1 60 60 LEU HD22 H 1 0.64 0.02 . 1 . . . . 60 LEU HD2 . 16316 1 702 . 1 1 60 60 LEU HD23 H 1 0.64 0.02 . 1 . . . . 60 LEU HD2 . 16316 1 703 . 1 1 60 60 LEU HG H 1 1.61 0.02 . 1 . . . . 60 LEU HG . 16316 1 704 . 1 1 60 60 LEU C C 13 178.6 0.2 . 1 . . . . 60 LEU C . 16316 1 705 . 1 1 60 60 LEU CA C 13 56.9 0.2 . 1 . . . . 60 LEU CA . 16316 1 706 . 1 1 60 60 LEU CB C 13 42.5 0.2 . 1 . . . . 60 LEU CB . 16316 1 707 . 1 1 60 60 LEU CD1 C 13 25.7 0.2 . 1 . . . . 60 LEU CD1 . 16316 1 708 . 1 1 60 60 LEU CD2 C 13 24.0 0.2 . 1 . . . . 60 LEU CD2 . 16316 1 709 . 1 1 60 60 LEU CG C 13 27.5 0.2 . 1 . . . . 60 LEU CG . 16316 1 710 . 1 1 60 60 LEU N N 15 116.2 0.2 . 1 . . . . 60 LEU N . 16316 1 711 . 1 1 61 61 LEU H H 1 7.74 0.02 . 1 . . . . 61 LEU H . 16316 1 712 . 1 1 61 61 LEU HA H 1 4.00 0.02 . 1 . . . . 61 LEU HA . 16316 1 713 . 1 1 61 61 LEU HB2 H 1 1.52 0.02 . 2 . . . . 61 LEU HB2 . 16316 1 714 . 1 1 61 61 LEU HB3 H 1 1.72 0.02 . 2 . . . . 61 LEU HB3 . 16316 1 715 . 1 1 61 61 LEU HD11 H 1 0.82 0.02 . 1 . . . . 61 LEU HD1 . 16316 1 716 . 1 1 61 61 LEU HD12 H 1 0.82 0.02 . 1 . . . . 61 LEU HD1 . 16316 1 717 . 1 1 61 61 LEU HD13 H 1 0.82 0.02 . 1 . . . . 61 LEU HD1 . 16316 1 718 . 1 1 61 61 LEU HD21 H 1 0.79 0.02 . 1 . . . . 61 LEU HD2 . 16316 1 719 . 1 1 61 61 LEU HD22 H 1 0.79 0.02 . 1 . . . . 61 LEU HD2 . 16316 1 720 . 1 1 61 61 LEU HD23 H 1 0.79 0.02 . 1 . . . . 61 LEU HD2 . 16316 1 721 . 1 1 61 61 LEU HG H 1 1.69 0.02 . 1 . . . . 61 LEU HG . 16316 1 722 . 1 1 61 61 LEU C C 13 178.3 0.2 . 1 . . . . 61 LEU C . 16316 1 723 . 1 1 61 61 LEU CA C 13 56.9 0.2 . 1 . . . . 61 LEU CA . 16316 1 724 . 1 1 61 61 LEU CB C 13 42.4 0.2 . 1 . . . . 61 LEU CB . 16316 1 725 . 1 1 61 61 LEU CD1 C 13 24.9 0.2 . 1 . . . . 61 LEU CD1 . 16316 1 726 . 1 1 61 61 LEU CD2 C 13 23.4 0.2 . 1 . . . . 61 LEU CD2 . 16316 1 727 . 1 1 61 61 LEU CG C 13 26.7 0.2 . 1 . . . . 61 LEU CG . 16316 1 728 . 1 1 61 61 LEU N N 15 115.0 0.2 . 1 . . . . 61 LEU N . 16316 1 729 . 1 1 62 62 VAL H H 1 7.38 0.02 . 1 . . . . 62 VAL H . 16316 1 730 . 1 1 62 62 VAL HA H 1 3.71 0.02 . 1 . . . . 62 VAL HA . 16316 1 731 . 1 1 62 62 VAL HB H 1 2.26 0.02 . 1 . . . . 62 VAL HB . 16316 1 732 . 1 1 62 62 VAL HG11 H 1 1.14 0.02 . 1 . . . . 62 VAL HG1 . 16316 1 733 . 1 1 62 62 VAL HG12 H 1 1.14 0.02 . 1 . . . . 62 VAL HG1 . 16316 1 734 . 1 1 62 62 VAL HG13 H 1 1.14 0.02 . 1 . . . . 62 VAL HG1 . 16316 1 735 . 1 1 62 62 VAL HG21 H 1 0.91 0.02 . 1 . . . . 62 VAL HG2 . 16316 1 736 . 1 1 62 62 VAL HG22 H 1 0.91 0.02 . 1 . . . . 62 VAL HG2 . 16316 1 737 . 1 1 62 62 VAL HG23 H 1 0.91 0.02 . 1 . . . . 62 VAL HG2 . 16316 1 738 . 1 1 62 62 VAL CA C 13 68.8 0.2 . 1 . . . . 62 VAL CA . 16316 1 739 . 1 1 62 62 VAL CB C 13 29.4 0.2 . 1 . . . . 62 VAL CB . 16316 1 740 . 1 1 62 62 VAL CG1 C 13 23.1 0.2 . 1 . . . . 62 VAL CG1 . 16316 1 741 . 1 1 62 62 VAL CG2 C 13 20.8 0.2 . 1 . . . . 62 VAL CG2 . 16316 1 742 . 1 1 62 62 VAL N N 15 117.9 0.2 . 1 . . . . 62 VAL N . 16316 1 743 . 1 1 63 63 PRO HA H 1 4.39 0.02 . 1 . . . . 63 PRO HA . 16316 1 744 . 1 1 63 63 PRO HB2 H 1 1.95 0.02 . 2 . . . . 63 PRO HB2 . 16316 1 745 . 1 1 63 63 PRO HB3 H 1 2.69 0.02 . 2 . . . . 63 PRO HB3 . 16316 1 746 . 1 1 63 63 PRO HD2 H 1 3.29 0.02 . 2 . . . . 63 PRO HD2 . 16316 1 747 . 1 1 63 63 PRO HD3 H 1 4.17 0.02 . 2 . . . . 63 PRO HD3 . 16316 1 748 . 1 1 63 63 PRO HG2 H 1 1.93 0.02 . 2 . . . . 63 PRO HG2 . 16316 1 749 . 1 1 63 63 PRO HG3 H 1 2.20 0.02 . 2 . . . . 63 PRO HG3 . 16316 1 750 . 1 1 63 63 PRO C C 13 179.3 0.2 . 1 . . . . 63 PRO C . 16316 1 751 . 1 1 63 63 PRO CA C 13 65.2 0.2 . 1 . . . . 63 PRO CA . 16316 1 752 . 1 1 63 63 PRO CB C 13 30.9 0.2 . 1 . . . . 63 PRO CB . 16316 1 753 . 1 1 63 63 PRO CD C 13 50.0 0.2 . 1 . . . . 63 PRO CD . 16316 1 754 . 1 1 63 63 PRO CG C 13 27.8 0.2 . 1 . . . . 63 PRO CG . 16316 1 755 . 1 1 64 64 ILE H H 1 6.80 0.02 . 1 . . . . 64 ILE H . 16316 1 756 . 1 1 64 64 ILE HA H 1 3.57 0.02 . 1 . . . . 64 ILE HA . 16316 1 757 . 1 1 64 64 ILE HB H 1 1.99 0.02 . 1 . . . . 64 ILE HB . 16316 1 758 . 1 1 64 64 ILE HD11 H 1 0.68 0.02 . 1 . . . . 64 ILE HD1 . 16316 1 759 . 1 1 64 64 ILE HD12 H 1 0.68 0.02 . 1 . . . . 64 ILE HD1 . 16316 1 760 . 1 1 64 64 ILE HD13 H 1 0.68 0.02 . 1 . . . . 64 ILE HD1 . 16316 1 761 . 1 1 64 64 ILE HG12 H 1 1.29 0.02 . 2 . . . . 64 ILE HG12 . 16316 1 762 . 1 1 64 64 ILE HG13 H 1 1.53 0.02 . 2 . . . . 64 ILE HG13 . 16316 1 763 . 1 1 64 64 ILE HG21 H 1 0.85 0.02 . 1 . . . . 64 ILE HG2 . 16316 1 764 . 1 1 64 64 ILE HG22 H 1 0.85 0.02 . 1 . . . . 64 ILE HG2 . 16316 1 765 . 1 1 64 64 ILE HG23 H 1 0.85 0.02 . 1 . . . . 64 ILE HG2 . 16316 1 766 . 1 1 64 64 ILE C C 13 177.9 0.2 . 1 . . . . 64 ILE C . 16316 1 767 . 1 1 64 64 ILE CA C 13 64.6 0.2 . 1 . . . . 64 ILE CA . 16316 1 768 . 1 1 64 64 ILE CB C 13 37.1 0.2 . 1 . . . . 64 ILE CB . 16316 1 769 . 1 1 64 64 ILE CD1 C 13 12.1 0.2 . 1 . . . . 64 ILE CD1 . 16316 1 770 . 1 1 64 64 ILE CG1 C 13 29.4 0.2 . 1 . . . . 64 ILE CG1 . 16316 1 771 . 1 1 64 64 ILE CG2 C 13 18.0 0.2 . 1 . . . . 64 ILE CG2 . 16316 1 772 . 1 1 64 64 ILE N N 15 117.7 0.2 . 1 . . . . 64 ILE N . 16316 1 773 . 1 1 65 65 LYS H H 1 8.66 0.02 . 1 . . . . 65 LYS H . 16316 1 774 . 1 1 65 65 LYS HA H 1 4.03 0.02 . 1 . . . . 65 LYS HA . 16316 1 775 . 1 1 65 65 LYS HB2 H 1 1.81 0.02 . 2 . . . . 65 LYS HB2 . 16316 1 776 . 1 1 65 65 LYS HB3 H 1 1.95 0.02 . 2 . . . . 65 LYS HB3 . 16316 1 777 . 1 1 65 65 LYS HD2 H 1 1.58 0.02 . 2 . . . . 65 LYS HD2 . 16316 1 778 . 1 1 65 65 LYS HD3 H 1 1.62 0.02 . 2 . . . . 65 LYS HD3 . 16316 1 779 . 1 1 65 65 LYS HE2 H 1 2.83 0.02 . 2 . . . . 65 LYS HE2 . 16316 1 780 . 1 1 65 65 LYS HE3 H 1 2.92 0.02 . 2 . . . . 65 LYS HE3 . 16316 1 781 . 1 1 65 65 LYS HG2 H 1 1.45 0.02 . 2 . . . . 65 LYS HG2 . 16316 1 782 . 1 1 65 65 LYS HG3 H 1 1.54 0.02 . 2 . . . . 65 LYS HG3 . 16316 1 783 . 1 1 65 65 LYS C C 13 179.6 0.2 . 1 . . . . 65 LYS C . 16316 1 784 . 1 1 65 65 LYS CA C 13 58.7 0.2 . 1 . . . . 65 LYS CA . 16316 1 785 . 1 1 65 65 LYS CB C 13 31.4 0.2 . 1 . . . . 65 LYS CB . 16316 1 786 . 1 1 65 65 LYS CD C 13 28.2 0.2 . 1 . . . . 65 LYS CD . 16316 1 787 . 1 1 65 65 LYS CG C 13 25.1 0.2 . 1 . . . . 65 LYS CG . 16316 1 788 . 1 1 65 65 LYS N N 15 120.3 0.2 . 1 . . . . 65 LYS N . 16316 1 789 . 1 1 66 66 LYS H H 1 7.45 0.02 . 1 . . . . 66 LYS H . 16316 1 790 . 1 1 66 66 LYS HA H 1 3.95 0.02 . 1 . . . . 66 LYS HA . 16316 1 791 . 1 1 66 66 LYS HB2 H 1 1.88 0.02 . 2 . . . . 66 LYS HB2 . 16316 1 792 . 1 1 66 66 LYS HB3 H 1 2.06 0.02 . 2 . . . . 66 LYS HB3 . 16316 1 793 . 1 1 66 66 LYS HD2 H 1 1.72 0.02 . 2 . . . . 66 LYS HD2 . 16316 1 794 . 1 1 66 66 LYS HD3 H 1 1.76 0.02 . 2 . . . . 66 LYS HD3 . 16316 1 795 . 1 1 66 66 LYS HE2 H 1 2.83 0.02 . 2 . . . . 66 LYS HE2 . 16316 1 796 . 1 1 66 66 LYS HE3 H 1 2.93 0.02 . 2 . . . . 66 LYS HE3 . 16316 1 797 . 1 1 66 66 LYS HG2 H 1 1.40 0.02 . 2 . . . . 66 LYS HG2 . 16316 1 798 . 1 1 66 66 LYS HG3 H 1 1.70 0.02 . 2 . . . . 66 LYS HG3 . 16316 1 799 . 1 1 66 66 LYS C C 13 179.0 0.2 . 1 . . . . 66 LYS C . 16316 1 800 . 1 1 66 66 LYS CA C 13 60.3 0.2 . 1 . . . . 66 LYS CA . 16316 1 801 . 1 1 66 66 LYS CB C 13 32.6 0.2 . 1 . . . . 66 LYS CB . 16316 1 802 . 1 1 66 66 LYS CD C 13 29.9 0.2 . 1 . . . . 66 LYS CD . 16316 1 803 . 1 1 66 66 LYS CG C 13 26.0 0.2 . 1 . . . . 66 LYS CG . 16316 1 804 . 1 1 66 66 LYS N N 15 118.0 0.2 . 1 . . . . 66 LYS N . 16316 1 805 . 1 1 67 67 ILE H H 1 7.41 0.02 . 1 . . . . 67 ILE H . 16316 1 806 . 1 1 67 67 ILE HA H 1 3.56 0.02 . 1 . . . . 67 ILE HA . 16316 1 807 . 1 1 67 67 ILE HB H 1 1.86 0.02 . 1 . . . . 67 ILE HB . 16316 1 808 . 1 1 67 67 ILE HD11 H 1 0.63 0.02 . 1 . . . . 67 ILE HD1 . 16316 1 809 . 1 1 67 67 ILE HD12 H 1 0.63 0.02 . 1 . . . . 67 ILE HD1 . 16316 1 810 . 1 1 67 67 ILE HD13 H 1 0.63 0.02 . 1 . . . . 67 ILE HD1 . 16316 1 811 . 1 1 67 67 ILE HG12 H 1 0.64 0.02 . 2 . . . . 67 ILE HG12 . 16316 1 812 . 1 1 67 67 ILE HG13 H 1 2.16 0.02 . 2 . . . . 67 ILE HG13 . 16316 1 813 . 1 1 67 67 ILE HG21 H 1 0.75 0.02 . 1 . . . . 67 ILE HG2 . 16316 1 814 . 1 1 67 67 ILE HG22 H 1 0.75 0.02 . 1 . . . . 67 ILE HG2 . 16316 1 815 . 1 1 67 67 ILE HG23 H 1 0.75 0.02 . 1 . . . . 67 ILE HG2 . 16316 1 816 . 1 1 67 67 ILE C C 13 178.8 0.2 . 1 . . . . 67 ILE C . 16316 1 817 . 1 1 67 67 ILE CA C 13 65.1 0.2 . 1 . . . . 67 ILE CA . 16316 1 818 . 1 1 67 67 ILE CB C 13 39.1 0.2 . 1 . . . . 67 ILE CB . 16316 1 819 . 1 1 67 67 ILE CD1 C 13 15.8 0.2 . 1 . . . . 67 ILE CD1 . 16316 1 820 . 1 1 67 67 ILE CG1 C 13 26.8 0.2 . 1 . . . . 67 ILE CG1 . 16316 1 821 . 1 1 67 67 ILE CG2 C 13 19.6 0.2 . 1 . . . . 67 ILE CG2 . 16316 1 822 . 1 1 67 67 ILE N N 15 118.4 0.2 . 1 . . . . 67 ILE N . 16316 1 823 . 1 1 68 68 GLU H H 1 7.73 0.02 . 1 . . . . 68 GLU H . 16316 1 824 . 1 1 68 68 GLU HA H 1 3.52 0.02 . 1 . . . . 68 GLU HA . 16316 1 825 . 1 1 68 68 GLU HB2 H 1 1.91 0.02 . 2 . . . . 68 GLU HB2 . 16316 1 826 . 1 1 68 68 GLU HB3 H 1 2.13 0.02 . 2 . . . . 68 GLU HB3 . 16316 1 827 . 1 1 68 68 GLU HG2 H 1 1.83 0.02 . 2 . . . . 68 GLU HG2 . 16316 1 828 . 1 1 68 68 GLU HG3 H 1 2.34 0.02 . 2 . . . . 68 GLU HG3 . 16316 1 829 . 1 1 68 68 GLU C C 13 180.6 0.2 . 1 . . . . 68 GLU C . 16316 1 830 . 1 1 68 68 GLU CA C 13 60.0 0.2 . 1 . . . . 68 GLU CA . 16316 1 831 . 1 1 68 68 GLU CB C 13 29.4 0.2 . 1 . . . . 68 GLU CB . 16316 1 832 . 1 1 68 68 GLU CG C 13 37.2 0.2 . 1 . . . . 68 GLU CG . 16316 1 833 . 1 1 68 68 GLU N N 15 118.7 0.2 . 1 . . . . 68 GLU N . 16316 1 834 . 1 1 69 69 LYS H H 1 8.18 0.02 . 1 . . . . 69 LYS H . 16316 1 835 . 1 1 69 69 LYS HA H 1 3.99 0.02 . 1 . . . . 69 LYS HA . 16316 1 836 . 1 1 69 69 LYS HB2 H 1 1.87 0.02 . 2 . . . . 69 LYS HB2 . 16316 1 837 . 1 1 69 69 LYS HB3 H 1 1.90 0.02 . 2 . . . . 69 LYS HB3 . 16316 1 838 . 1 1 69 69 LYS HD2 H 1 1.62 0.02 . 2 . . . . 69 LYS HD2 . 16316 1 839 . 1 1 69 69 LYS HD3 H 1 1.64 0.02 . 2 . . . . 69 LYS HD3 . 16316 1 840 . 1 1 69 69 LYS HE2 H 1 2.90 0.02 . 2 . . . . 69 LYS HE2 . 16316 1 841 . 1 1 69 69 LYS HE3 H 1 2.95 0.02 . 2 . . . . 69 LYS HE3 . 16316 1 842 . 1 1 69 69 LYS HG2 H 1 1.45 0.02 . 2 . . . . 69 LYS HG2 . 16316 1 843 . 1 1 69 69 LYS HG3 H 1 1.50 0.02 . 2 . . . . 69 LYS HG3 . 16316 1 844 . 1 1 69 69 LYS C C 13 178.4 0.2 . 1 . . . . 69 LYS C . 16316 1 845 . 1 1 69 69 LYS CA C 13 58.7 0.2 . 1 . . . . 69 LYS CA . 16316 1 846 . 1 1 69 69 LYS CB C 13 32.1 0.2 . 1 . . . . 69 LYS CB . 16316 1 847 . 1 1 69 69 LYS CD C 13 28.9 0.2 . 1 . . . . 69 LYS CD . 16316 1 848 . 1 1 69 69 LYS CE C 13 42.1 0.2 . 1 . . . . 69 LYS CE . 16316 1 849 . 1 1 69 69 LYS CG C 13 25.0 0.2 . 1 . . . . 69 LYS CG . 16316 1 850 . 1 1 69 69 LYS N N 15 120.8 0.2 . 1 . . . . 69 LYS N . 16316 1 851 . 1 1 70 70 LEU H H 1 7.18 0.02 . 1 . . . . 70 LEU H . 16316 1 852 . 1 1 70 70 LEU HA H 1 4.04 0.02 . 1 . . . . 70 LEU HA . 16316 1 853 . 1 1 70 70 LEU HB2 H 1 1.02 0.02 . 2 . . . . 70 LEU HB2 . 16316 1 854 . 1 1 70 70 LEU HB3 H 1 1.67 0.02 . 2 . . . . 70 LEU HB3 . 16316 1 855 . 1 1 70 70 LEU HD11 H 1 0.99 0.02 . 1 . . . . 70 LEU HD1 . 16316 1 856 . 1 1 70 70 LEU HD12 H 1 0.99 0.02 . 1 . . . . 70 LEU HD1 . 16316 1 857 . 1 1 70 70 LEU HD13 H 1 0.99 0.02 . 1 . . . . 70 LEU HD1 . 16316 1 858 . 1 1 70 70 LEU HD21 H 1 0.86 0.02 . 1 . . . . 70 LEU HD2 . 16316 1 859 . 1 1 70 70 LEU HD22 H 1 0.86 0.02 . 1 . . . . 70 LEU HD2 . 16316 1 860 . 1 1 70 70 LEU HD23 H 1 0.86 0.02 . 1 . . . . 70 LEU HD2 . 16316 1 861 . 1 1 70 70 LEU HG H 1 1.81 0.02 . 1 . . . . 70 LEU HG . 16316 1 862 . 1 1 70 70 LEU C C 13 177.0 0.2 . 1 . . . . 70 LEU C . 16316 1 863 . 1 1 70 70 LEU CA C 13 55.8 0.2 . 1 . . . . 70 LEU CA . 16316 1 864 . 1 1 70 70 LEU CB C 13 42.4 0.2 . 1 . . . . 70 LEU CB . 16316 1 865 . 1 1 70 70 LEU CD1 C 13 25.8 0.2 . 1 . . . . 70 LEU CD1 . 16316 1 866 . 1 1 70 70 LEU CD2 C 13 22.5 0.2 . 1 . . . . 70 LEU CD2 . 16316 1 867 . 1 1 70 70 LEU CG C 13 26.6 0.2 . 1 . . . . 70 LEU CG . 16316 1 868 . 1 1 70 70 LEU N N 15 117.9 0.2 . 1 . . . . 70 LEU N . 16316 1 869 . 1 1 71 71 GLY H H 1 7.70 0.02 . 1 . . . . 71 GLY H . 16316 1 870 . 1 1 71 71 GLY HA2 H 1 3.58 0.02 . 2 . . . . 71 GLY HA2 . 16316 1 871 . 1 1 71 71 GLY HA3 H 1 4.17 0.02 . 2 . . . . 71 GLY HA3 . 16316 1 872 . 1 1 71 71 GLY C C 13 174.9 0.2 . 1 . . . . 71 GLY C . 16316 1 873 . 1 1 71 71 GLY CA C 13 44.3 0.2 . 1 . . . . 71 GLY CA . 16316 1 874 . 1 1 71 71 GLY N N 15 103.9 0.2 . 1 . . . . 71 GLY N . 16316 1 875 . 1 1 72 72 TYR H H 1 6.88 0.02 . 1 . . . . 72 TYR H . 16316 1 876 . 1 1 72 72 TYR HA H 1 5.15 0.02 . 1 . . . . 72 TYR HA . 16316 1 877 . 1 1 72 72 TYR HB2 H 1 2.82 0.02 . 2 . . . . 72 TYR HB2 . 16316 1 878 . 1 1 72 72 TYR HB3 H 1 3.11 0.02 . 2 . . . . 72 TYR HB3 . 16316 1 879 . 1 1 72 72 TYR HD1 H 1 6.88 0.02 . 3 . . . . 72 TYR HD1 . 16316 1 880 . 1 1 72 72 TYR HE1 H 1 6.87 0.02 . 3 . . . . 72 TYR HE1 . 16316 1 881 . 1 1 72 72 TYR C C 13 176.0 0.2 . 1 . . . . 72 TYR C . 16316 1 882 . 1 1 72 72 TYR CA C 13 53.5 0.2 . 1 . . . . 72 TYR CA . 16316 1 883 . 1 1 72 72 TYR CB C 13 35.4 0.2 . 1 . . . . 72 TYR CB . 16316 1 884 . 1 1 72 72 TYR CD1 C 13 132.0 0.2 . 3 . . . . 72 TYR CD1 . 16316 1 885 . 1 1 72 72 TYR CE1 C 13 118.5 0.2 . 3 . . . . 72 TYR CE1 . 16316 1 886 . 1 1 72 72 TYR N N 15 121.8 0.2 . 1 . . . . 72 TYR N . 16316 1 887 . 1 1 73 73 LEU H H 1 7.76 0.02 . 1 . . . . 73 LEU H . 16316 1 888 . 1 1 73 73 LEU HA H 1 3.78 0.02 . 1 . . . . 73 LEU HA . 16316 1 889 . 1 1 73 73 LEU HB2 H 1 1.54 0.02 . 2 . . . . 73 LEU HB2 . 16316 1 890 . 1 1 73 73 LEU HB3 H 1 1.80 0.02 . 2 . . . . 73 LEU HB3 . 16316 1 891 . 1 1 73 73 LEU HD11 H 1 0.92 0.02 . 1 . . . . 73 LEU HD1 . 16316 1 892 . 1 1 73 73 LEU HD12 H 1 0.92 0.02 . 1 . . . . 73 LEU HD1 . 16316 1 893 . 1 1 73 73 LEU HD13 H 1 0.92 0.02 . 1 . . . . 73 LEU HD1 . 16316 1 894 . 1 1 73 73 LEU HD21 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16316 1 895 . 1 1 73 73 LEU HD22 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16316 1 896 . 1 1 73 73 LEU HD23 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 16316 1 897 . 1 1 73 73 LEU HG H 1 1.63 0.02 . 1 . . . . 73 LEU HG . 16316 1 898 . 1 1 73 73 LEU C C 13 179.3 0.2 . 1 . . . . 73 LEU C . 16316 1 899 . 1 1 73 73 LEU CA C 13 58.9 0.2 . 1 . . . . 73 LEU CA . 16316 1 900 . 1 1 73 73 LEU CB C 13 40.7 0.2 . 1 . . . . 73 LEU CB . 16316 1 901 . 1 1 73 73 LEU CD1 C 13 24.6 0.2 . 1 . . . . 73 LEU CD1 . 16316 1 902 . 1 1 73 73 LEU CD2 C 13 22.6 0.2 . 1 . . . . 73 LEU CD2 . 16316 1 903 . 1 1 73 73 LEU CG C 13 27.3 0.2 . 1 . . . . 73 LEU CG . 16316 1 904 . 1 1 73 73 LEU N N 15 121.6 0.2 . 1 . . . . 73 LEU N . 16316 1 905 . 1 1 74 74 GLU H H 1 8.57 0.02 . 1 . . . . 74 GLU H . 16316 1 906 . 1 1 74 74 GLU HA H 1 4.06 0.02 . 1 . . . . 74 GLU HA . 16316 1 907 . 1 1 74 74 GLU HB2 H 1 2.07 0.02 . 2 . . . . 74 GLU HB2 . 16316 1 908 . 1 1 74 74 GLU HB3 H 1 2.09 0.02 . 2 . . . . 74 GLU HB3 . 16316 1 909 . 1 1 74 74 GLU HG2 H 1 2.20 0.02 . 2 . . . . 74 GLU HG2 . 16316 1 910 . 1 1 74 74 GLU HG3 H 1 2.25 0.02 . 2 . . . . 74 GLU HG3 . 16316 1 911 . 1 1 74 74 GLU C C 13 178.8 0.2 . 1 . . . . 74 GLU C . 16316 1 912 . 1 1 74 74 GLU CA C 13 59.6 0.2 . 1 . . . . 74 GLU CA . 16316 1 913 . 1 1 74 74 GLU CB C 13 28.6 0.2 . 1 . . . . 74 GLU CB . 16316 1 914 . 1 1 74 74 GLU CG C 13 36.2 0.2 . 1 . . . . 74 GLU CG . 16316 1 915 . 1 1 74 74 GLU N N 15 120.2 0.2 . 1 . . . . 74 GLU N . 16316 1 916 . 1 1 75 75 ILE H H 1 7.53 0.02 . 1 . . . . 75 ILE H . 16316 1 917 . 1 1 75 75 ILE HA H 1 3.37 0.02 . 1 . . . . 75 ILE HA . 16316 1 918 . 1 1 75 75 ILE HB H 1 1.63 0.02 . 1 . . . . 75 ILE HB . 16316 1 919 . 1 1 75 75 ILE HD11 H 1 0.65 0.02 . 1 . . . . 75 ILE HD1 . 16316 1 920 . 1 1 75 75 ILE HD12 H 1 0.65 0.02 . 1 . . . . 75 ILE HD1 . 16316 1 921 . 1 1 75 75 ILE HD13 H 1 0.65 0.02 . 1 . . . . 75 ILE HD1 . 16316 1 922 . 1 1 75 75 ILE HG12 H 1 0.84 0.02 . 2 . . . . 75 ILE HG12 . 16316 1 923 . 1 1 75 75 ILE HG13 H 1 1.62 0.02 . 2 . . . . 75 ILE HG13 . 16316 1 924 . 1 1 75 75 ILE HG21 H 1 0.46 0.02 . 1 . . . . 75 ILE HG2 . 16316 1 925 . 1 1 75 75 ILE HG22 H 1 0.46 0.02 . 1 . . . . 75 ILE HG2 . 16316 1 926 . 1 1 75 75 ILE HG23 H 1 0.46 0.02 . 1 . . . . 75 ILE HG2 . 16316 1 927 . 1 1 75 75 ILE C C 13 177.5 0.2 . 1 . . . . 75 ILE C . 16316 1 928 . 1 1 75 75 ILE CA C 13 65.4 0.2 . 1 . . . . 75 ILE CA . 16316 1 929 . 1 1 75 75 ILE CB C 13 36.8 0.2 . 1 . . . . 75 ILE CB . 16316 1 930 . 1 1 75 75 ILE CD1 C 13 12.3 0.2 . 1 . . . . 75 ILE CD1 . 16316 1 931 . 1 1 75 75 ILE CG1 C 13 29.1 0.2 . 1 . . . . 75 ILE CG1 . 16316 1 932 . 1 1 75 75 ILE CG2 C 13 18.0 0.2 . 1 . . . . 75 ILE CG2 . 16316 1 933 . 1 1 75 75 ILE N N 15 118.9 0.2 . 1 . . . . 75 ILE N . 16316 1 934 . 1 1 76 76 ALA H H 1 8.26 0.02 . 1 . . . . 76 ALA H . 16316 1 935 . 1 1 76 76 ALA HA H 1 3.71 0.02 . 1 . . . . 76 ALA HA . 16316 1 936 . 1 1 76 76 ALA HB1 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 16316 1 937 . 1 1 76 76 ALA HB2 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 16316 1 938 . 1 1 76 76 ALA HB3 H 1 1.35 0.02 . 1 . . . . 76 ALA HB . 16316 1 939 . 1 1 76 76 ALA C C 13 178.5 0.2 . 1 . . . . 76 ALA C . 16316 1 940 . 1 1 76 76 ALA CA C 13 56.0 0.2 . 1 . . . . 76 ALA CA . 16316 1 941 . 1 1 76 76 ALA CB C 13 18.4 0.2 . 1 . . . . 76 ALA CB . 16316 1 942 . 1 1 76 76 ALA N N 15 121.5 0.2 . 1 . . . . 76 ALA N . 16316 1 943 . 1 1 77 77 MET H H 1 7.68 0.02 . 1 . . . . 77 MET H . 16316 1 944 . 1 1 77 77 MET HA H 1 3.98 0.02 . 1 . . . . 77 MET HA . 16316 1 945 . 1 1 77 77 MET HB2 H 1 2.13 0.02 . 2 . . . . 77 MET HB2 . 16316 1 946 . 1 1 77 77 MET HB3 H 1 2.20 0.02 . 2 . . . . 77 MET HB3 . 16316 1 947 . 1 1 77 77 MET HE1 H 1 2.00 0.02 . 1 . . . . 77 MET HE . 16316 1 948 . 1 1 77 77 MET HE2 H 1 2.00 0.02 . 1 . . . . 77 MET HE . 16316 1 949 . 1 1 77 77 MET HE3 H 1 2.00 0.02 . 1 . . . . 77 MET HE . 16316 1 950 . 1 1 77 77 MET HG2 H 1 2.49 0.02 . 2 . . . . 77 MET HG2 . 16316 1 951 . 1 1 77 77 MET HG3 H 1 2.67 0.02 . 2 . . . . 77 MET HG3 . 16316 1 952 . 1 1 77 77 MET C C 13 178.9 0.2 . 1 . . . . 77 MET C . 16316 1 953 . 1 1 77 77 MET CA C 13 58.6 0.2 . 1 . . . . 77 MET CA . 16316 1 954 . 1 1 77 77 MET CB C 13 32.1 0.2 . 1 . . . . 77 MET CB . 16316 1 955 . 1 1 77 77 MET CE C 13 17.1 0.2 . 1 . . . . 77 MET CE . 16316 1 956 . 1 1 77 77 MET CG C 13 31.9 0.2 . 1 . . . . 77 MET CG . 16316 1 957 . 1 1 77 77 MET N N 15 115.9 0.2 . 1 . . . . 77 MET N . 16316 1 958 . 1 1 78 78 ARG H H 1 7.90 0.02 . 1 . . . . 78 ARG H . 16316 1 959 . 1 1 78 78 ARG HA H 1 3.79 0.02 . 1 . . . . 78 ARG HA . 16316 1 960 . 1 1 78 78 ARG HB2 H 1 1.62 0.02 . 2 . . . . 78 ARG HB2 . 16316 1 961 . 1 1 78 78 ARG HB3 H 1 1.81 0.02 . 2 . . . . 78 ARG HB3 . 16316 1 962 . 1 1 78 78 ARG HD2 H 1 3.00 0.02 . 2 . . . . 78 ARG HD2 . 16316 1 963 . 1 1 78 78 ARG HD3 H 1 3.13 0.02 . 2 . . . . 78 ARG HD3 . 16316 1 964 . 1 1 78 78 ARG HG2 H 1 1.68 0.02 . 2 . . . . 78 ARG HG2 . 16316 1 965 . 1 1 78 78 ARG HG3 H 1 1.82 0.02 . 2 . . . . 78 ARG HG3 . 16316 1 966 . 1 1 78 78 ARG C C 13 177.1 0.2 . 1 . . . . 78 ARG C . 16316 1 967 . 1 1 78 78 ARG CA C 13 57.9 0.2 . 1 . . . . 78 ARG CA . 16316 1 968 . 1 1 78 78 ARG CB C 13 29.3 0.2 . 1 . . . . 78 ARG CB . 16316 1 969 . 1 1 78 78 ARG CD C 13 42.8 0.2 . 1 . . . . 78 ARG CD . 16316 1 970 . 1 1 78 78 ARG CG C 13 26.6 0.2 . 1 . . . . 78 ARG CG . 16316 1 971 . 1 1 78 78 ARG N N 15 119.1 0.2 . 1 . . . . 78 ARG N . 16316 1 972 . 1 1 79 79 VAL H H 1 8.75 0.02 . 1 . . . . 79 VAL H . 16316 1 973 . 1 1 79 79 VAL HA H 1 3.41 0.02 . 1 . . . . 79 VAL HA . 16316 1 974 . 1 1 79 79 VAL HB H 1 1.92 0.02 . 1 . . . . 79 VAL HB . 16316 1 975 . 1 1 79 79 VAL HG11 H 1 0.79 0.02 . 1 . . . . 79 VAL HG1 . 16316 1 976 . 1 1 79 79 VAL HG12 H 1 0.79 0.02 . 1 . . . . 79 VAL HG1 . 16316 1 977 . 1 1 79 79 VAL HG13 H 1 0.79 0.02 . 1 . . . . 79 VAL HG1 . 16316 1 978 . 1 1 79 79 VAL HG21 H 1 0.92 0.02 . 1 . . . . 79 VAL HG2 . 16316 1 979 . 1 1 79 79 VAL HG22 H 1 0.92 0.02 . 1 . . . . 79 VAL HG2 . 16316 1 980 . 1 1 79 79 VAL HG23 H 1 0.92 0.02 . 1 . . . . 79 VAL HG2 . 16316 1 981 . 1 1 79 79 VAL C C 13 177.6 0.2 . 1 . . . . 79 VAL C . 16316 1 982 . 1 1 79 79 VAL CA C 13 66.8 0.2 . 1 . . . . 79 VAL CA . 16316 1 983 . 1 1 79 79 VAL CB C 13 30.7 0.2 . 1 . . . . 79 VAL CB . 16316 1 984 . 1 1 79 79 VAL CG1 C 13 22.8 0.2 . 1 . . . . 79 VAL CG1 . 16316 1 985 . 1 1 79 79 VAL CG2 C 13 24.4 0.2 . 1 . . . . 79 VAL CG2 . 16316 1 986 . 1 1 79 79 VAL N N 15 117.1 0.2 . 1 . . . . 79 VAL N . 16316 1 987 . 1 1 80 80 LYS H H 1 8.13 0.02 . 1 . . . . 80 LYS H . 16316 1 988 . 1 1 80 80 LYS HA H 1 3.75 0.02 . 1 . . . . 80 LYS HA . 16316 1 989 . 1 1 80 80 LYS HB2 H 1 1.89 0.02 . 2 . . . . 80 LYS HB2 . 16316 1 990 . 1 1 80 80 LYS HB3 H 1 1.95 0.02 . 2 . . . . 80 LYS HB3 . 16316 1 991 . 1 1 80 80 LYS HD2 H 1 1.62 0.02 . 2 . . . . 80 LYS HD2 . 16316 1 992 . 1 1 80 80 LYS HD3 H 1 1.64 0.02 . 2 . . . . 80 LYS HD3 . 16316 1 993 . 1 1 80 80 LYS HE2 H 1 2.78 0.02 . 2 . . . . 80 LYS HE2 . 16316 1 994 . 1 1 80 80 LYS HE3 H 1 2.83 0.02 . 2 . . . . 80 LYS HE3 . 16316 1 995 . 1 1 80 80 LYS HG2 H 1 1.33 0.02 . 2 . . . . 80 LYS HG2 . 16316 1 996 . 1 1 80 80 LYS HG3 H 1 1.40 0.02 . 2 . . . . 80 LYS HG3 . 16316 1 997 . 1 1 80 80 LYS C C 13 178.7 0.2 . 1 . . . . 80 LYS C . 16316 1 998 . 1 1 80 80 LYS CA C 13 60.7 0.2 . 1 . . . . 80 LYS CA . 16316 1 999 . 1 1 80 80 LYS CB C 13 32.2 0.2 . 1 . . . . 80 LYS CB . 16316 1 1000 . 1 1 80 80 LYS CD C 13 29.5 0.2 . 1 . . . . 80 LYS CD . 16316 1 1001 . 1 1 80 80 LYS CG C 13 25.4 0.2 . 1 . . . . 80 LYS CG . 16316 1 1002 . 1 1 80 80 LYS N N 15 120.5 0.2 . 1 . . . . 80 LYS N . 16316 1 1003 . 1 1 81 81 GLN H H 1 7.63 0.02 . 1 . . . . 81 GLN H . 16316 1 1004 . 1 1 81 81 GLN HA H 1 4.06 0.02 . 1 . . . . 81 GLN HA . 16316 1 1005 . 1 1 81 81 GLN HB2 H 1 2.11 0.02 . 2 . . . . 81 GLN HB2 . 16316 1 1006 . 1 1 81 81 GLN HB3 H 1 2.31 0.02 . 2 . . . . 81 GLN HB3 . 16316 1 1007 . 1 1 81 81 GLN HE21 H 1 7.60 0.02 . 2 . . . . 81 GLN HE21 . 16316 1 1008 . 1 1 81 81 GLN HE22 H 1 6.87 0.02 . 2 . . . . 81 GLN HE22 . 16316 1 1009 . 1 1 81 81 GLN HG2 H 1 2.38 0.02 . 2 . . . . 81 GLN HG2 . 16316 1 1010 . 1 1 81 81 GLN HG3 H 1 2.63 0.02 . 2 . . . . 81 GLN HG3 . 16316 1 1011 . 1 1 81 81 GLN C C 13 180.0 0.2 . 1 . . . . 81 GLN C . 16316 1 1012 . 1 1 81 81 GLN CA C 13 59.3 0.2 . 1 . . . . 81 GLN CA . 16316 1 1013 . 1 1 81 81 GLN CB C 13 27.5 0.2 . 1 . . . . 81 GLN CB . 16316 1 1014 . 1 1 81 81 GLN CD C 13 180.0 0.2 . 1 . . . . 81 GLN CD . 16316 1 1015 . 1 1 81 81 GLN CG C 13 33.9 0.2 . 1 . . . . 81 GLN CG . 16316 1 1016 . 1 1 81 81 GLN N N 15 120.5 0.2 . 1 . . . . 81 GLN N . 16316 1 1017 . 1 1 81 81 GLN NE2 N 15 111.5 0.2 . 1 . . . . 81 GLN NE2 . 16316 1 1018 . 1 1 82 82 TYR H H 1 8.53 0.02 . 1 . . . . 82 TYR H . 16316 1 1019 . 1 1 82 82 TYR HA H 1 4.57 0.02 . 1 . . . . 82 TYR HA . 16316 1 1020 . 1 1 82 82 TYR HB2 H 1 2.98 0.02 . 2 . . . . 82 TYR HB2 . 16316 1 1021 . 1 1 82 82 TYR HB3 H 1 3.26 0.02 . 2 . . . . 82 TYR HB3 . 16316 1 1022 . 1 1 82 82 TYR HD1 H 1 7.14 0.02 . 3 . . . . 82 TYR HD1 . 16316 1 1023 . 1 1 82 82 TYR HE1 H 1 6.73 0.02 . 3 . . . . 82 TYR HE1 . 16316 1 1024 . 1 1 82 82 TYR C C 13 177.6 0.2 . 1 . . . . 82 TYR C . 16316 1 1025 . 1 1 82 82 TYR CA C 13 57.9 0.2 . 1 . . . . 82 TYR CA . 16316 1 1026 . 1 1 82 82 TYR CB C 13 37.4 0.2 . 1 . . . . 82 TYR CB . 16316 1 1027 . 1 1 82 82 TYR CD1 C 13 132.2 0.2 . 3 . . . . 82 TYR CD1 . 16316 1 1028 . 1 1 82 82 TYR CE1 C 13 118.3 0.2 . 3 . . . . 82 TYR CE1 . 16316 1 1029 . 1 1 82 82 TYR N N 15 120.5 0.2 . 1 . . . . 82 TYR N . 16316 1 1030 . 1 1 83 83 ALA H H 1 8.85 0.02 . 1 . . . . 83 ALA H . 16316 1 1031 . 1 1 83 83 ALA HA H 1 3.89 0.02 . 1 . . . . 83 ALA HA . 16316 1 1032 . 1 1 83 83 ALA HB1 H 1 1.43 0.02 . 1 . . . . 83 ALA HB . 16316 1 1033 . 1 1 83 83 ALA HB2 H 1 1.43 0.02 . 1 . . . . 83 ALA HB . 16316 1 1034 . 1 1 83 83 ALA HB3 H 1 1.43 0.02 . 1 . . . . 83 ALA HB . 16316 1 1035 . 1 1 83 83 ALA C C 13 179.0 0.2 . 1 . . . . 83 ALA C . 16316 1 1036 . 1 1 83 83 ALA CA C 13 56.0 0.2 . 1 . . . . 83 ALA CA . 16316 1 1037 . 1 1 83 83 ALA CB C 13 17.6 0.2 . 1 . . . . 83 ALA CB . 16316 1 1038 . 1 1 83 83 ALA N N 15 119.3 0.2 . 1 . . . . 83 ALA N . 16316 1 1039 . 1 1 84 84 THR H H 1 8.18 0.02 . 1 . . . . 84 THR H . 16316 1 1040 . 1 1 84 84 THR HA H 1 3.68 0.02 . 1 . . . . 84 THR HA . 16316 1 1041 . 1 1 84 84 THR HB H 1 4.27 0.02 . 1 . . . . 84 THR HB . 16316 1 1042 . 1 1 84 84 THR HG21 H 1 1.27 0.02 . 1 . . . . 84 THR HG2 . 16316 1 1043 . 1 1 84 84 THR HG22 H 1 1.27 0.02 . 1 . . . . 84 THR HG2 . 16316 1 1044 . 1 1 84 84 THR HG23 H 1 1.27 0.02 . 1 . . . . 84 THR HG2 . 16316 1 1045 . 1 1 84 84 THR C C 13 176.0 0.2 . 1 . . . . 84 THR C . 16316 1 1046 . 1 1 84 84 THR CA C 13 66.8 0.2 . 1 . . . . 84 THR CA . 16316 1 1047 . 1 1 84 84 THR CB C 13 68.7 0.2 . 1 . . . . 84 THR CB . 16316 1 1048 . 1 1 84 84 THR CG2 C 13 21.7 0.2 . 1 . . . . 84 THR CG2 . 16316 1 1049 . 1 1 84 84 THR N N 15 112.0 0.2 . 1 . . . . 84 THR N . 16316 1 1050 . 1 1 85 85 ALA H H 1 7.95 0.02 . 1 . . . . 85 ALA H . 16316 1 1051 . 1 1 85 85 ALA HA H 1 4.04 0.02 . 1 . . . . 85 ALA HA . 16316 1 1052 . 1 1 85 85 ALA HB1 H 1 1.64 0.02 . 1 . . . . 85 ALA HB . 16316 1 1053 . 1 1 85 85 ALA HB2 H 1 1.64 0.02 . 1 . . . . 85 ALA HB . 16316 1 1054 . 1 1 85 85 ALA HB3 H 1 1.64 0.02 . 1 . . . . 85 ALA HB . 16316 1 1055 . 1 1 85 85 ALA C C 13 180.5 0.2 . 1 . . . . 85 ALA C . 16316 1 1056 . 1 1 85 85 ALA CA C 13 55.3 0.2 . 1 . . . . 85 ALA CA . 16316 1 1057 . 1 1 85 85 ALA CB C 13 18.3 0.2 . 1 . . . . 85 ALA CB . 16316 1 1058 . 1 1 85 85 ALA N N 15 125.2 0.2 . 1 . . . . 85 ALA N . 16316 1 1059 . 1 1 86 86 ILE H H 1 8.04 0.02 . 1 . . . . 86 ILE H . 16316 1 1060 . 1 1 86 86 ILE HA H 1 2.84 0.02 . 1 . . . . 86 ILE HA . 16316 1 1061 . 1 1 86 86 ILE HB H 1 1.48 0.02 . 1 . . . . 86 ILE HB . 16316 1 1062 . 1 1 86 86 ILE HD11 H 1 0.49 0.02 . 1 . . . . 86 ILE HD1 . 16316 1 1063 . 1 1 86 86 ILE HD12 H 1 0.49 0.02 . 1 . . . . 86 ILE HD1 . 16316 1 1064 . 1 1 86 86 ILE HD13 H 1 0.49 0.02 . 1 . . . . 86 ILE HD1 . 16316 1 1065 . 1 1 86 86 ILE HG12 H 1 0.08 0.02 . 2 . . . . 86 ILE HG12 . 16316 1 1066 . 1 1 86 86 ILE HG13 H 1 0.40 0.02 . 2 . . . . 86 ILE HG13 . 16316 1 1067 . 1 1 86 86 ILE HG21 H 1 0.28 0.02 . 1 . . . . 86 ILE HG2 . 16316 1 1068 . 1 1 86 86 ILE HG22 H 1 0.28 0.02 . 1 . . . . 86 ILE HG2 . 16316 1 1069 . 1 1 86 86 ILE HG23 H 1 0.28 0.02 . 1 . . . . 86 ILE HG2 . 16316 1 1070 . 1 1 86 86 ILE C C 13 177.4 0.2 . 1 . . . . 86 ILE C . 16316 1 1071 . 1 1 86 86 ILE CA C 13 65.7 0.2 . 1 . . . . 86 ILE CA . 16316 1 1072 . 1 1 86 86 ILE CB C 13 37.6 0.2 . 1 . . . . 86 ILE CB . 16316 1 1073 . 1 1 86 86 ILE CD1 C 13 14.9 0.2 . 1 . . . . 86 ILE CD1 . 16316 1 1074 . 1 1 86 86 ILE CG1 C 13 31.6 0.2 . 1 . . . . 86 ILE CG1 . 16316 1 1075 . 1 1 86 86 ILE CG2 C 13 18.0 0.2 . 1 . . . . 86 ILE CG2 . 16316 1 1076 . 1 1 86 86 ILE N N 15 121.6 0.2 . 1 . . . . 86 ILE N . 16316 1 1077 . 1 1 87 87 MET H H 1 7.68 0.02 . 1 . . . . 87 MET H . 16316 1 1078 . 1 1 87 87 MET HA H 1 4.38 0.02 . 1 . . . . 87 MET HA . 16316 1 1079 . 1 1 87 87 MET HB2 H 1 1.59 0.02 . 2 . . . . 87 MET HB2 . 16316 1 1080 . 1 1 87 87 MET HB3 H 1 2.00 0.02 . 2 . . . . 87 MET HB3 . 16316 1 1081 . 1 1 87 87 MET HE1 H 1 1.93 0.02 . 1 . . . . 87 MET HE . 16316 1 1082 . 1 1 87 87 MET HE2 H 1 1.93 0.02 . 1 . . . . 87 MET HE . 16316 1 1083 . 1 1 87 87 MET HE3 H 1 1.93 0.02 . 1 . . . . 87 MET HE . 16316 1 1084 . 1 1 87 87 MET HG2 H 1 2.26 0.02 . 2 . . . . 87 MET HG2 . 16316 1 1085 . 1 1 87 87 MET HG3 H 1 2.90 0.02 . 2 . . . . 87 MET HG3 . 16316 1 1086 . 1 1 87 87 MET C C 13 178.8 0.2 . 1 . . . . 87 MET C . 16316 1 1087 . 1 1 87 87 MET CA C 13 56.7 0.2 . 1 . . . . 87 MET CA . 16316 1 1088 . 1 1 87 87 MET CB C 13 29.6 0.2 . 1 . . . . 87 MET CB . 16316 1 1089 . 1 1 87 87 MET CE C 13 16.8 0.2 . 1 . . . . 87 MET CE . 16316 1 1090 . 1 1 87 87 MET CG C 13 32.0 0.2 . 1 . . . . 87 MET CG . 16316 1 1091 . 1 1 87 87 MET N N 15 116.7 0.2 . 1 . . . . 87 MET N . 16316 1 1092 . 1 1 88 88 ARG H H 1 8.37 0.02 . 1 . . . . 88 ARG H . 16316 1 1093 . 1 1 88 88 ARG HA H 1 3.97 0.02 . 1 . . . . 88 ARG HA . 16316 1 1094 . 1 1 88 88 ARG HB2 H 1 1.92 0.02 . 2 . . . . 88 ARG HB2 . 16316 1 1095 . 1 1 88 88 ARG HB3 H 1 1.97 0.02 . 2 . . . . 88 ARG HB3 . 16316 1 1096 . 1 1 88 88 ARG HD2 H 1 3.25 0.02 . 2 . . . . 88 ARG HD2 . 16316 1 1097 . 1 1 88 88 ARG HD3 H 1 3.32 0.02 . 2 . . . . 88 ARG HD3 . 16316 1 1098 . 1 1 88 88 ARG HG2 H 1 1.61 0.02 . 2 . . . . 88 ARG HG2 . 16316 1 1099 . 1 1 88 88 ARG HG3 H 1 1.92 0.02 . 2 . . . . 88 ARG HG3 . 16316 1 1100 . 1 1 88 88 ARG C C 13 179.1 0.2 . 1 . . . . 88 ARG C . 16316 1 1101 . 1 1 88 88 ARG CA C 13 60.0 0.2 . 1 . . . . 88 ARG CA . 16316 1 1102 . 1 1 88 88 ARG CB C 13 30.1 0.2 . 1 . . . . 88 ARG CB . 16316 1 1103 . 1 1 88 88 ARG CD C 13 43.8 0.2 . 1 . . . . 88 ARG CD . 16316 1 1104 . 1 1 88 88 ARG CG C 13 28.1 0.2 . 1 . . . . 88 ARG CG . 16316 1 1105 . 1 1 88 88 ARG N N 15 119.3 0.2 . 1 . . . . 88 ARG N . 16316 1 1106 . 1 1 89 89 TYR H H 1 8.20 0.02 . 1 . . . . 89 TYR H . 16316 1 1107 . 1 1 89 89 TYR HA H 1 4.34 0.02 . 1 . . . . 89 TYR HA . 16316 1 1108 . 1 1 89 89 TYR HB2 H 1 3.35 0.02 . 2 . . . . 89 TYR HB2 . 16316 1 1109 . 1 1 89 89 TYR HB3 H 1 3.49 0.02 . 2 . . . . 89 TYR HB3 . 16316 1 1110 . 1 1 89 89 TYR HD1 H 1 7.20 0.02 . 3 . . . . 89 TYR HD1 . 16316 1 1111 . 1 1 89 89 TYR HE1 H 1 6.75 0.02 . 3 . . . . 89 TYR HE1 . 16316 1 1112 . 1 1 89 89 TYR C C 13 176.6 0.2 . 1 . . . . 89 TYR C . 16316 1 1113 . 1 1 89 89 TYR CA C 13 61.4 0.2 . 1 . . . . 89 TYR CA . 16316 1 1114 . 1 1 89 89 TYR CB C 13 38.3 0.2 . 1 . . . . 89 TYR CB . 16316 1 1115 . 1 1 89 89 TYR CD1 C 13 133.4 0.2 . 3 . . . . 89 TYR CD1 . 16316 1 1116 . 1 1 89 89 TYR CE1 C 13 118.2 0.2 . 3 . . . . 89 TYR CE1 . 16316 1 1117 . 1 1 89 89 TYR N N 15 123.2 0.2 . 1 . . . . 89 TYR N . 16316 1 1118 . 1 1 90 90 ALA H H 1 8.32 0.02 . 1 . . . . 90 ALA H . 16316 1 1119 . 1 1 90 90 ALA HA H 1 3.93 0.02 . 1 . . . . 90 ALA HA . 16316 1 1120 . 1 1 90 90 ALA HB1 H 1 1.59 0.02 . 1 . . . . 90 ALA HB . 16316 1 1121 . 1 1 90 90 ALA HB2 H 1 1.59 0.02 . 1 . . . . 90 ALA HB . 16316 1 1122 . 1 1 90 90 ALA HB3 H 1 1.59 0.02 . 1 . . . . 90 ALA HB . 16316 1 1123 . 1 1 90 90 ALA C C 13 179.9 0.2 . 1 . . . . 90 ALA C . 16316 1 1124 . 1 1 90 90 ALA CA C 13 55.5 0.2 . 1 . . . . 90 ALA CA . 16316 1 1125 . 1 1 90 90 ALA CB C 13 18.8 0.2 . 1 . . . . 90 ALA CB . 16316 1 1126 . 1 1 90 90 ALA N N 15 122.4 0.2 . 1 . . . . 90 ALA N . 16316 1 1127 . 1 1 91 91 VAL H H 1 8.05 0.02 . 1 . . . . 91 VAL H . 16316 1 1128 . 1 1 91 91 VAL HA H 1 3.94 0.02 . 1 . . . . 91 VAL HA . 16316 1 1129 . 1 1 91 91 VAL HB H 1 2.33 0.02 . 1 . . . . 91 VAL HB . 16316 1 1130 . 1 1 91 91 VAL HG11 H 1 1.01 0.02 . 1 . . . . 91 VAL HG1 . 16316 1 1131 . 1 1 91 91 VAL HG12 H 1 1.01 0.02 . 1 . . . . 91 VAL HG1 . 16316 1 1132 . 1 1 91 91 VAL HG13 H 1 1.01 0.02 . 1 . . . . 91 VAL HG1 . 16316 1 1133 . 1 1 91 91 VAL HG21 H 1 0.99 0.02 . 1 . . . . 91 VAL HG2 . 16316 1 1134 . 1 1 91 91 VAL HG22 H 1 0.99 0.02 . 1 . . . . 91 VAL HG2 . 16316 1 1135 . 1 1 91 91 VAL HG23 H 1 0.99 0.02 . 1 . . . . 91 VAL HG2 . 16316 1 1136 . 1 1 91 91 VAL C C 13 181.1 0.2 . 1 . . . . 91 VAL C . 16316 1 1137 . 1 1 91 91 VAL CA C 13 65.7 0.2 . 1 . . . . 91 VAL CA . 16316 1 1138 . 1 1 91 91 VAL CB C 13 31.9 0.2 . 1 . . . . 91 VAL CB . 16316 1 1139 . 1 1 91 91 VAL CG1 C 13 21.7 0.2 . 1 . . . . 91 VAL CG1 . 16316 1 1140 . 1 1 91 91 VAL CG2 C 13 22.7 0.2 . 1 . . . . 91 VAL CG2 . 16316 1 1141 . 1 1 91 91 VAL N N 15 119.7 0.2 . 1 . . . . 91 VAL N . 16316 1 1142 . 1 1 92 92 GLN H H 1 8.54 0.02 . 1 . . . . 92 GLN H . 16316 1 1143 . 1 1 92 92 GLN HA H 1 4.01 0.02 . 1 . . . . 92 GLN HA . 16316 1 1144 . 1 1 92 92 GLN HB2 H 1 2.22 0.02 . 2 . . . . 92 GLN HB2 . 16316 1 1145 . 1 1 92 92 GLN HB3 H 1 2.28 0.02 . 2 . . . . 92 GLN HB3 . 16316 1 1146 . 1 1 92 92 GLN HE21 H 1 7.57 0.02 . 2 . . . . 92 GLN HE21 . 16316 1 1147 . 1 1 92 92 GLN HE22 H 1 6.90 0.02 . 2 . . . . 92 GLN HE22 . 16316 1 1148 . 1 1 92 92 GLN HG2 H 1 2.42 0.02 . 2 . . . . 92 GLN HG2 . 16316 1 1149 . 1 1 92 92 GLN HG3 H 1 2.58 0.02 . 2 . . . . 92 GLN HG3 . 16316 1 1150 . 1 1 92 92 GLN C C 13 178.4 0.2 . 1 . . . . 92 GLN C . 16316 1 1151 . 1 1 92 92 GLN CA C 13 59.1 0.2 . 1 . . . . 92 GLN CA . 16316 1 1152 . 1 1 92 92 GLN CB C 13 28.1 0.2 . 1 . . . . 92 GLN CB . 16316 1 1153 . 1 1 92 92 GLN CD C 13 180.2 0.2 . 1 . . . . 92 GLN CD . 16316 1 1154 . 1 1 92 92 GLN CG C 13 33.8 0.2 . 1 . . . . 92 GLN CG . 16316 1 1155 . 1 1 92 92 GLN N N 15 124.2 0.2 . 1 . . . . 92 GLN N . 16316 1 1156 . 1 1 92 92 GLN NE2 N 15 111.6 0.2 . 1 . . . . 92 GLN NE2 . 16316 1 1157 . 1 1 93 93 GLN H H 1 8.06 0.02 . 1 . . . . 93 GLN H . 16316 1 1158 . 1 1 93 93 GLN HA H 1 4.01 0.02 . 1 . . . . 93 GLN HA . 16316 1 1159 . 1 1 93 93 GLN HB2 H 1 1.58 0.02 . 2 . . . . 93 GLN HB2 . 16316 1 1160 . 1 1 93 93 GLN HB3 H 1 2.34 0.02 . 2 . . . . 93 GLN HB3 . 16316 1 1161 . 1 1 93 93 GLN HE21 H 1 6.95 0.02 . 2 . . . . 93 GLN HE21 . 16316 1 1162 . 1 1 93 93 GLN HE22 H 1 6.87 0.02 . 2 . . . . 93 GLN HE22 . 16316 1 1163 . 1 1 93 93 GLN HG2 H 1 1.58 0.02 . 2 . . . . 93 GLN HG2 . 16316 1 1164 . 1 1 93 93 GLN HG3 H 1 1.66 0.02 . 2 . . . . 93 GLN HG3 . 16316 1 1165 . 1 1 93 93 GLN C C 13 174.6 0.2 . 1 . . . . 93 GLN C . 16316 1 1166 . 1 1 93 93 GLN CA C 13 54.6 0.2 . 1 . . . . 93 GLN CA . 16316 1 1167 . 1 1 93 93 GLN CB C 13 28.6 0.2 . 1 . . . . 93 GLN CB . 16316 1 1168 . 1 1 93 93 GLN CD C 13 179.8 0.2 . 1 . . . . 93 GLN CD . 16316 1 1169 . 1 1 93 93 GLN CG C 13 33.0 0.2 . 1 . . . . 93 GLN CG . 16316 1 1170 . 1 1 93 93 GLN N N 15 114.5 0.2 . 1 . . . . 93 GLN N . 16316 1 1171 . 1 1 93 93 GLN NE2 N 15 114.2 0.2 . 1 . . . . 93 GLN NE2 . 16316 1 1172 . 1 1 94 94 LYS H H 1 8.11 0.02 . 1 . . . . 94 LYS H . 16316 1 1173 . 1 1 94 94 LYS HA H 1 4.05 0.02 . 1 . . . . 94 LYS HA . 16316 1 1174 . 1 1 94 94 LYS HB2 H 1 1.95 0.02 . 2 . . . . 94 LYS HB2 . 16316 1 1175 . 1 1 94 94 LYS HB3 H 1 2.11 0.02 . 2 . . . . 94 LYS HB3 . 16316 1 1176 . 1 1 94 94 LYS HD2 H 1 1.62 0.02 . 2 . . . . 94 LYS HD2 . 16316 1 1177 . 1 1 94 94 LYS HD3 H 1 1.70 0.02 . 2 . . . . 94 LYS HD3 . 16316 1 1178 . 1 1 94 94 LYS HE2 H 1 2.98 0.02 . 2 . . . . 94 LYS HE2 . 16316 1 1179 . 1 1 94 94 LYS HE3 H 1 3.02 0.02 . 2 . . . . 94 LYS HE3 . 16316 1 1180 . 1 1 94 94 LYS HG2 H 1 1.29 0.02 . 2 . . . . 94 LYS HG2 . 16316 1 1181 . 1 1 94 94 LYS HG3 H 1 1.32 0.02 . 2 . . . . 94 LYS HG3 . 16316 1 1182 . 1 1 94 94 LYS C C 13 176.3 0.2 . 1 . . . . 94 LYS C . 16316 1 1183 . 1 1 94 94 LYS CA C 13 57.3 0.2 . 1 . . . . 94 LYS CA . 16316 1 1184 . 1 1 94 94 LYS CB C 13 28.4 0.2 . 1 . . . . 94 LYS CB . 16316 1 1185 . 1 1 94 94 LYS CD C 13 28.6 0.2 . 1 . . . . 94 LYS CD . 16316 1 1186 . 1 1 94 94 LYS CE C 13 42.4 0.2 . 1 . . . . 94 LYS CE . 16316 1 1187 . 1 1 94 94 LYS CG C 13 24.8 0.2 . 1 . . . . 94 LYS CG . 16316 1 1188 . 1 1 94 94 LYS N N 15 114.2 0.2 . 1 . . . . 94 LYS N . 16316 1 1189 . 1 1 95 95 MET H H 1 8.57 0.02 . 1 . . . . 95 MET H . 16316 1 1190 . 1 1 95 95 MET HA H 1 4.17 0.02 . 1 . . . . 95 MET HA . 16316 1 1191 . 1 1 95 95 MET HB2 H 1 1.85 0.02 . 2 . . . . 95 MET HB2 . 16316 1 1192 . 1 1 95 95 MET HB3 H 1 2.01 0.02 . 2 . . . . 95 MET HB3 . 16316 1 1193 . 1 1 95 95 MET HE1 H 1 2.17 0.02 . 1 . . . . 95 MET HE . 16316 1 1194 . 1 1 95 95 MET HE2 H 1 2.17 0.02 . 1 . . . . 95 MET HE . 16316 1 1195 . 1 1 95 95 MET HE3 H 1 2.17 0.02 . 1 . . . . 95 MET HE . 16316 1 1196 . 1 1 95 95 MET HG2 H 1 2.47 0.02 . 2 . . . . 95 MET HG2 . 16316 1 1197 . 1 1 95 95 MET HG3 H 1 2.51 0.02 . 2 . . . . 95 MET HG3 . 16316 1 1198 . 1 1 95 95 MET C C 13 176.1 0.2 . 1 . . . . 95 MET C . 16316 1 1199 . 1 1 95 95 MET CA C 13 58.2 0.2 . 1 . . . . 95 MET CA . 16316 1 1200 . 1 1 95 95 MET CB C 13 34.5 0.2 . 1 . . . . 95 MET CB . 16316 1 1201 . 1 1 95 95 MET CE C 13 18.1 0.2 . 1 . . . . 95 MET CE . 16316 1 1202 . 1 1 95 95 MET CG C 13 33.3 0.2 . 1 . . . . 95 MET CG . 16316 1 1203 . 1 1 95 95 MET N N 15 116.3 0.2 . 1 . . . . 95 MET N . 16316 1 1204 . 1 1 96 96 ILE H H 1 6.98 0.02 . 1 . . . . 96 ILE H . 16316 1 1205 . 1 1 96 96 ILE HA H 1 4.60 0.02 . 1 . . . . 96 ILE HA . 16316 1 1206 . 1 1 96 96 ILE HB H 1 2.05 0.02 . 1 . . . . 96 ILE HB . 16316 1 1207 . 1 1 96 96 ILE HD11 H 1 0.88 0.02 . 1 . . . . 96 ILE HD1 . 16316 1 1208 . 1 1 96 96 ILE HD12 H 1 0.88 0.02 . 1 . . . . 96 ILE HD1 . 16316 1 1209 . 1 1 96 96 ILE HD13 H 1 0.88 0.02 . 1 . . . . 96 ILE HD1 . 16316 1 1210 . 1 1 96 96 ILE HG12 H 1 0.56 0.02 . 2 . . . . 96 ILE HG12 . 16316 1 1211 . 1 1 96 96 ILE HG13 H 1 1.18 0.02 . 2 . . . . 96 ILE HG13 . 16316 1 1212 . 1 1 96 96 ILE HG21 H 1 0.86 0.02 . 1 . . . . 96 ILE HG2 . 16316 1 1213 . 1 1 96 96 ILE HG22 H 1 0.86 0.02 . 1 . . . . 96 ILE HG2 . 16316 1 1214 . 1 1 96 96 ILE HG23 H 1 0.86 0.02 . 1 . . . . 96 ILE HG2 . 16316 1 1215 . 1 1 96 96 ILE C C 13 174.6 0.2 . 1 . . . . 96 ILE C . 16316 1 1216 . 1 1 96 96 ILE CA C 13 58.7 0.2 . 1 . . . . 96 ILE CA . 16316 1 1217 . 1 1 96 96 ILE CB C 13 42.2 0.2 . 1 . . . . 96 ILE CB . 16316 1 1218 . 1 1 96 96 ILE CD1 C 13 13.8 0.2 . 1 . . . . 96 ILE CD1 . 16316 1 1219 . 1 1 96 96 ILE CG1 C 13 24.9 0.2 . 1 . . . . 96 ILE CG1 . 16316 1 1220 . 1 1 96 96 ILE CG2 C 13 19.7 0.2 . 1 . . . . 96 ILE CG2 . 16316 1 1221 . 1 1 96 96 ILE N N 15 107.8 0.2 . 1 . . . . 96 ILE N . 16316 1 1222 . 1 1 97 97 ARG H H 1 8.67 0.02 . 1 . . . . 97 ARG H . 16316 1 1223 . 1 1 97 97 ARG HA H 1 4.28 0.02 . 1 . . . . 97 ARG HA . 16316 1 1224 . 1 1 97 97 ARG HB2 H 1 1.73 0.02 . 2 . . . . 97 ARG HB2 . 16316 1 1225 . 1 1 97 97 ARG HB3 H 1 1.77 0.02 . 2 . . . . 97 ARG HB3 . 16316 1 1226 . 1 1 97 97 ARG HD2 H 1 3.14 0.02 . 2 . . . . 97 ARG HD2 . 16316 1 1227 . 1 1 97 97 ARG HD3 H 1 3.18 0.02 . 2 . . . . 97 ARG HD3 . 16316 1 1228 . 1 1 97 97 ARG HG2 H 1 1.58 0.02 . 2 . . . . 97 ARG HG2 . 16316 1 1229 . 1 1 97 97 ARG HG3 H 1 1.61 0.02 . 2 . . . . 97 ARG HG3 . 16316 1 1230 . 1 1 97 97 ARG C C 13 175.6 0.2 . 1 . . . . 97 ARG C . 16316 1 1231 . 1 1 97 97 ARG CA C 13 56.6 0.2 . 1 . . . . 97 ARG CA . 16316 1 1232 . 1 1 97 97 ARG CB C 13 31.4 0.2 . 1 . . . . 97 ARG CB . 16316 1 1233 . 1 1 97 97 ARG CD C 13 43.3 0.2 . 1 . . . . 97 ARG CD . 16316 1 1234 . 1 1 97 97 ARG CG C 13 27.5 0.2 . 1 . . . . 97 ARG CG . 16316 1 1235 . 1 1 97 97 ARG N N 15 120.1 0.2 . 1 . . . . 97 ARG N . 16316 1 1236 . 1 1 98 98 PHE H H 1 8.00 0.02 . 1 . . . . 98 PHE H . 16316 1 1237 . 1 1 98 98 PHE HA H 1 4.45 0.02 . 1 . . . . 98 PHE HA . 16316 1 1238 . 1 1 98 98 PHE HB2 H 1 2.90 0.02 . 2 . . . . 98 PHE HB2 . 16316 1 1239 . 1 1 98 98 PHE HB3 H 1 3.07 0.02 . 2 . . . . 98 PHE HB3 . 16316 1 1240 . 1 1 98 98 PHE HD1 H 1 7.14 0.02 . 3 . . . . 98 PHE HD1 . 16316 1 1241 . 1 1 98 98 PHE HE1 H 1 7.31 0.02 . 3 . . . . 98 PHE HE1 . 16316 1 1242 . 1 1 98 98 PHE HZ H 1 7.31 0.02 . 1 . . . . 98 PHE HZ . 16316 1 1243 . 1 1 98 98 PHE CA C 13 57.7 0.2 . 1 . . . . 98 PHE CA . 16316 1 1244 . 1 1 98 98 PHE CB C 13 40.4 0.2 . 1 . . . . 98 PHE CB . 16316 1 1245 . 1 1 98 98 PHE CD1 C 13 131.9 0.2 . 3 . . . . 98 PHE CD1 . 16316 1 1246 . 1 1 98 98 PHE CE1 C 13 131.5 0.2 . 3 . . . . 98 PHE CE1 . 16316 1 1247 . 1 1 98 98 PHE CZ C 13 130.1 0.2 . 1 . . . . 98 PHE CZ . 16316 1 1248 . 1 1 98 98 PHE N N 15 118.3 0.2 . 1 . . . . 98 PHE N . 16316 1 1249 . 1 1 99 99 ASN HA H 1 4.66 0.02 . 1 . . . . 99 ASN HA . 16316 1 1250 . 1 1 99 99 ASN HB2 H 1 2.46 0.02 . 2 . . . . 99 ASN HB2 . 16316 1 1251 . 1 1 99 99 ASN HB3 H 1 2.64 0.02 . 2 . . . . 99 ASN HB3 . 16316 1 1252 . 1 1 99 99 ASN HD21 H 1 7.56 0.02 . 2 . . . . 99 ASN HD21 . 16316 1 1253 . 1 1 99 99 ASN HD22 H 1 6.63 0.02 . 2 . . . . 99 ASN HD22 . 16316 1 1254 . 1 1 99 99 ASN CB C 13 39.8 0.2 . 1 . . . . 99 ASN CB . 16316 1 1255 . 1 1 99 99 ASN ND2 N 15 110.1 0.2 . 1 . . . . 99 ASN ND2 . 16316 1 1256 . 1 1 100 100 PRO HA H 1 4.37 0.02 . 1 . . . . 100 PRO HA . 16316 1 1257 . 1 1 100 100 PRO HB2 H 1 1.87 0.02 . 2 . . . . 100 PRO HB2 . 16316 1 1258 . 1 1 100 100 PRO HB3 H 1 2.42 0.02 . 2 . . . . 100 PRO HB3 . 16316 1 1259 . 1 1 100 100 PRO HD2 H 1 3.70 0.02 . 2 . . . . 100 PRO HD2 . 16316 1 1260 . 1 1 100 100 PRO HD3 H 1 3.76 0.02 . 2 . . . . 100 PRO HD3 . 16316 1 1261 . 1 1 100 100 PRO HG2 H 1 1.82 0.02 . 2 . . . . 100 PRO HG2 . 16316 1 1262 . 1 1 100 100 PRO HG3 H 1 2.10 0.02 . 2 . . . . 100 PRO HG3 . 16316 1 1263 . 1 1 100 100 PRO C C 13 176.7 0.2 . 1 . . . . 100 PRO C . 16316 1 1264 . 1 1 100 100 PRO CA C 13 63.8 0.2 . 1 . . . . 100 PRO CA . 16316 1 1265 . 1 1 100 100 PRO CB C 13 32.1 0.2 . 1 . . . . 100 PRO CB . 16316 1 1266 . 1 1 100 100 PRO CD C 13 51.0 0.2 . 1 . . . . 100 PRO CD . 16316 1 1267 . 1 1 100 100 PRO CG C 13 26.8 0.2 . 1 . . . . 100 PRO CG . 16316 1 1268 . 1 1 101 101 ALA H H 1 8.14 0.02 . 1 . . . . 101 ALA H . 16316 1 1269 . 1 1 101 101 ALA HA H 1 4.22 0.02 . 1 . . . . 101 ALA HA . 16316 1 1270 . 1 1 101 101 ALA HB1 H 1 1.19 0.02 . 1 . . . . 101 ALA HB . 16316 1 1271 . 1 1 101 101 ALA HB2 H 1 1.19 0.02 . 1 . . . . 101 ALA HB . 16316 1 1272 . 1 1 101 101 ALA HB3 H 1 1.19 0.02 . 1 . . . . 101 ALA HB . 16316 1 1273 . 1 1 101 101 ALA C C 13 177.7 0.2 . 1 . . . . 101 ALA C . 16316 1 1274 . 1 1 101 101 ALA CA C 13 52.4 0.2 . 1 . . . . 101 ALA CA . 16316 1 1275 . 1 1 101 101 ALA CB C 13 18.8 0.2 . 1 . . . . 101 ALA CB . 16316 1 1276 . 1 1 101 101 ALA N N 15 120.9 0.2 . 1 . . . . 101 ALA N . 16316 1 1277 . 1 1 102 102 TYR H H 1 7.21 0.02 . 1 . . . . 102 TYR H . 16316 1 1278 . 1 1 102 102 TYR HA H 1 4.39 0.02 . 1 . . . . 102 TYR HA . 16316 1 1279 . 1 1 102 102 TYR HB2 H 1 2.97 0.02 . 2 . . . . 102 TYR HB2 . 16316 1 1280 . 1 1 102 102 TYR HB3 H 1 3.16 0.02 . 2 . . . . 102 TYR HB3 . 16316 1 1281 . 1 1 102 102 TYR HD1 H 1 6.99 0.02 . 3 . . . . 102 TYR HD1 . 16316 1 1282 . 1 1 102 102 TYR HE1 H 1 6.77 0.02 . 3 . . . . 102 TYR HE1 . 16316 1 1283 . 1 1 102 102 TYR C C 13 175.8 0.2 . 1 . . . . 102 TYR C . 16316 1 1284 . 1 1 102 102 TYR CA C 13 58.1 0.2 . 1 . . . . 102 TYR CA . 16316 1 1285 . 1 1 102 102 TYR CB C 13 37.5 0.2 . 1 . . . . 102 TYR CB . 16316 1 1286 . 1 1 102 102 TYR CD1 C 13 132.5 0.2 . 3 . . . . 102 TYR CD1 . 16316 1 1287 . 1 1 102 102 TYR CE1 C 13 118.5 0.2 . 3 . . . . 102 TYR CE1 . 16316 1 1288 . 1 1 102 102 TYR N N 15 117.5 0.2 . 1 . . . . 102 TYR N . 16316 1 1289 . 1 1 103 103 ASP H H 1 7.78 0.02 . 1 . . . . 103 ASP H . 16316 1 1290 . 1 1 103 103 ASP HA H 1 4.64 0.02 . 1 . . . . 103 ASP HA . 16316 1 1291 . 1 1 103 103 ASP HB2 H 1 2.51 0.02 . 2 . . . . 103 ASP HB2 . 16316 1 1292 . 1 1 103 103 ASP HB3 H 1 2.69 0.02 . 2 . . . . 103 ASP HB3 . 16316 1 1293 . 1 1 103 103 ASP C C 13 176.3 0.2 . 1 . . . . 103 ASP C . 16316 1 1294 . 1 1 103 103 ASP CA C 13 54.2 0.2 . 1 . . . . 103 ASP CA . 16316 1 1295 . 1 1 103 103 ASP CB C 13 41.0 0.2 . 1 . . . . 103 ASP CB . 16316 1 1296 . 1 1 103 103 ASP N N 15 119.0 0.2 . 1 . . . . 103 ASP N . 16316 1 1297 . 1 1 104 104 LEU H H 1 7.93 0.02 . 1 . . . . 104 LEU H . 16316 1 1298 . 1 1 104 104 LEU HA H 1 4.10 0.02 . 1 . . . . 104 LEU HA . 16316 1 1299 . 1 1 104 104 LEU HB2 H 1 1.51 0.02 . 2 . . . . 104 LEU HB2 . 16316 1 1300 . 1 1 104 104 LEU HB3 H 1 1.67 0.02 . 2 . . . . 104 LEU HB3 . 16316 1 1301 . 1 1 104 104 LEU HD11 H 1 0.86 0.02 . 1 . . . . 104 LEU HD1 . 16316 1 1302 . 1 1 104 104 LEU HD12 H 1 0.86 0.02 . 1 . . . . 104 LEU HD1 . 16316 1 1303 . 1 1 104 104 LEU HD13 H 1 0.86 0.02 . 1 . . . . 104 LEU HD1 . 16316 1 1304 . 1 1 104 104 LEU HD21 H 1 0.82 0.02 . 1 . . . . 104 LEU HD2 . 16316 1 1305 . 1 1 104 104 LEU HD22 H 1 0.82 0.02 . 1 . . . . 104 LEU HD2 . 16316 1 1306 . 1 1 104 104 LEU HD23 H 1 0.82 0.02 . 1 . . . . 104 LEU HD2 . 16316 1 1307 . 1 1 104 104 LEU HG H 1 1.62 0.02 . 1 . . . . 104 LEU HG . 16316 1 1308 . 1 1 104 104 LEU C C 13 177.5 0.2 . 1 . . . . 104 LEU C . 16316 1 1309 . 1 1 104 104 LEU CA C 13 56.1 0.2 . 1 . . . . 104 LEU CA . 16316 1 1310 . 1 1 104 104 LEU CB C 13 42.1 0.2 . 1 . . . . 104 LEU CB . 16316 1 1311 . 1 1 104 104 LEU CD1 C 13 25.4 0.2 . 1 . . . . 104 LEU CD1 . 16316 1 1312 . 1 1 104 104 LEU CD2 C 13 24.1 0.2 . 1 . . . . 104 LEU CD2 . 16316 1 1313 . 1 1 104 104 LEU CG C 13 27.1 0.2 . 1 . . . . 104 LEU CG . 16316 1 1314 . 1 1 104 104 LEU N N 15 121.3 0.2 . 1 . . . . 104 LEU N . 16316 1 1315 . 1 1 105 105 GLU H H 1 8.19 0.02 . 1 . . . . 105 GLU H . 16316 1 1316 . 1 1 105 105 GLU HA H 1 4.15 0.02 . 1 . . . . 105 GLU HA . 16316 1 1317 . 1 1 105 105 GLU HB2 H 1 1.97 0.02 . 2 . . . . 105 GLU HB2 . 16316 1 1318 . 1 1 105 105 GLU HB3 H 1 2.03 0.02 . 2 . . . . 105 GLU HB3 . 16316 1 1319 . 1 1 105 105 GLU HG2 H 1 2.19 0.02 . 2 . . . . 105 GLU HG2 . 16316 1 1320 . 1 1 105 105 GLU HG3 H 1 2.23 0.02 . 2 . . . . 105 GLU HG3 . 16316 1 1321 . 1 1 105 105 GLU C C 13 177.3 0.2 . 1 . . . . 105 GLU C . 16316 1 1322 . 1 1 105 105 GLU CA C 13 57.3 0.2 . 1 . . . . 105 GLU CA . 16316 1 1323 . 1 1 105 105 GLU CB C 13 30.0 0.2 . 1 . . . . 105 GLU CB . 16316 1 1324 . 1 1 105 105 GLU CG C 13 36.5 0.2 . 1 . . . . 105 GLU CG . 16316 1 1325 . 1 1 105 105 GLU N N 15 118.8 0.2 . 1 . . . . 105 GLU N . 16316 1 1326 . 1 1 106 106 GLY H H 1 8.17 0.02 . 1 . . . . 106 GLY H . 16316 1 1327 . 1 1 106 106 GLY HA2 H 1 3.85 0.02 . 2 . . . . 106 GLY HA2 . 16316 1 1328 . 1 1 106 106 GLY HA3 H 1 3.88 0.02 . 2 . . . . 106 GLY HA3 . 16316 1 1329 . 1 1 106 106 GLY C C 13 174.2 0.2 . 1 . . . . 106 GLY C . 16316 1 1330 . 1 1 106 106 GLY CA C 13 45.5 0.2 . 1 . . . . 106 GLY CA . 16316 1 1331 . 1 1 106 106 GLY N N 15 109.0 0.2 . 1 . . . . 106 GLY N . 16316 1 1332 . 1 1 107 107 ALA H H 1 8.06 0.02 . 1 . . . . 107 ALA H . 16316 1 1333 . 1 1 107 107 ALA HA H 1 4.27 0.02 . 1 . . . . 107 ALA HA . 16316 1 1334 . 1 1 107 107 ALA HB1 H 1 1.35 0.02 . 1 . . . . 107 ALA HB . 16316 1 1335 . 1 1 107 107 ALA HB2 H 1 1.35 0.02 . 1 . . . . 107 ALA HB . 16316 1 1336 . 1 1 107 107 ALA HB3 H 1 1.35 0.02 . 1 . . . . 107 ALA HB . 16316 1 1337 . 1 1 107 107 ALA C C 13 178.1 0.2 . 1 . . . . 107 ALA C . 16316 1 1338 . 1 1 107 107 ALA CA C 13 52.9 0.2 . 1 . . . . 107 ALA CA . 16316 1 1339 . 1 1 107 107 ALA CB C 13 19.4 0.2 . 1 . . . . 107 ALA CB . 16316 1 1340 . 1 1 107 107 ALA N N 15 123.5 0.2 . 1 . . . . 107 ALA N . 16316 1 1341 . 1 1 108 108 VAL H H 1 8.06 0.02 . 1 . . . . 108 VAL H . 16316 1 1342 . 1 1 108 108 VAL HA H 1 3.97 0.02 . 1 . . . . 108 VAL HA . 16316 1 1343 . 1 1 108 108 VAL HB H 1 2.04 0.02 . 1 . . . . 108 VAL HB . 16316 1 1344 . 1 1 108 108 VAL HG11 H 1 0.92 0.02 . 1 . . . . 108 VAL HG1 . 16316 1 1345 . 1 1 108 108 VAL HG12 H 1 0.92 0.02 . 1 . . . . 108 VAL HG1 . 16316 1 1346 . 1 1 108 108 VAL HG13 H 1 0.92 0.02 . 1 . . . . 108 VAL HG1 . 16316 1 1347 . 1 1 108 108 VAL HG21 H 1 0.93 0.02 . 1 . . . . 108 VAL HG2 . 16316 1 1348 . 1 1 108 108 VAL HG22 H 1 0.93 0.02 . 1 . . . . 108 VAL HG2 . 16316 1 1349 . 1 1 108 108 VAL HG23 H 1 0.93 0.02 . 1 . . . . 108 VAL HG2 . 16316 1 1350 . 1 1 108 108 VAL C C 13 176.4 0.2 . 1 . . . . 108 VAL C . 16316 1 1351 . 1 1 108 108 VAL CA C 13 62.7 0.2 . 1 . . . . 108 VAL CA . 16316 1 1352 . 1 1 108 108 VAL CB C 13 32.7 0.2 . 1 . . . . 108 VAL CB . 16316 1 1353 . 1 1 108 108 VAL CG1 C 13 21.1 0.2 . 1 . . . . 108 VAL CG1 . 16316 1 1354 . 1 1 108 108 VAL CG2 C 13 20.5 0.2 . 1 . . . . 108 VAL CG2 . 16316 1 1355 . 1 1 108 108 VAL N N 15 118.6 0.2 . 1 . . . . 108 VAL N . 16316 1 1356 . 1 1 109 109 GLN H H 1 8.37 0.02 . 1 . . . . 109 GLN H . 16316 1 1357 . 1 1 109 109 GLN HA H 1 4.24 0.02 . 1 . . . . 109 GLN HA . 16316 1 1358 . 1 1 109 109 GLN HB2 H 1 2.02 0.02 . 2 . . . . 109 GLN HB2 . 16316 1 1359 . 1 1 109 109 GLN HB3 H 1 1.94 0.02 . 2 . . . . 109 GLN HB3 . 16316 1 1360 . 1 1 109 109 GLN HE21 H 1 7.54 0.02 . 2 . . . . 109 GLN HE21 . 16316 1 1361 . 1 1 109 109 GLN HE22 H 1 6.83 0.02 . 2 . . . . 109 GLN HE22 . 16316 1 1362 . 1 1 109 109 GLN HG2 H 1 2.29 0.02 . 2 . . . . 109 GLN HG2 . 16316 1 1363 . 1 1 109 109 GLN HG3 H 1 2.31 0.02 . 2 . . . . 109 GLN HG3 . 16316 1 1364 . 1 1 109 109 GLN C C 13 176.0 0.2 . 1 . . . . 109 GLN C . 16316 1 1365 . 1 1 109 109 GLN CA C 13 56.2 0.2 . 1 . . . . 109 GLN CA . 16316 1 1366 . 1 1 109 109 GLN CB C 13 29.4 0.2 . 1 . . . . 109 GLN CB . 16316 1 1367 . 1 1 109 109 GLN CD C 13 180.2 0.2 . 1 . . . . 109 GLN CD . 16316 1 1368 . 1 1 109 109 GLN CG C 13 33.7 0.2 . 1 . . . . 109 GLN CG . 16316 1 1369 . 1 1 109 109 GLN N N 15 123.5 0.2 . 1 . . . . 109 GLN N . 16316 1 1370 . 1 1 109 109 GLN NE2 N 15 112.6 0.2 . 1 . . . . 109 GLN NE2 . 16316 1 1371 . 1 1 110 110 LYS H H 1 8.27 0.02 . 1 . . . . 110 LYS H . 16316 1 1372 . 1 1 110 110 LYS C C 13 176.4 0.2 . 1 . . . . 110 LYS C . 16316 1 1373 . 1 1 110 110 LYS CA C 13 56.4 0.2 . 1 . . . . 110 LYS CA . 16316 1 1374 . 1 1 110 110 LYS CB C 13 33.0 0.2 . 1 . . . . 110 LYS CB . 16316 1 1375 . 1 1 110 110 LYS N N 15 122.5 0.2 . 1 . . . . 110 LYS N . 16316 1 1376 . 1 1 111 111 LEU H H 1 8.19 0.02 . 1 . . . . 111 LEU H . 16316 1 1377 . 1 1 111 111 LEU HA H 1 4.26 0.02 . 1 . . . . 111 LEU HA . 16316 1 1378 . 1 1 111 111 LEU HB2 H 1 1.47 0.02 . 2 . . . . 111 LEU HB2 . 16316 1 1379 . 1 1 111 111 LEU HB3 H 1 1.55 0.02 . 2 . . . . 111 LEU HB3 . 16316 1 1380 . 1 1 111 111 LEU HD11 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 16316 1 1381 . 1 1 111 111 LEU HD12 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 16316 1 1382 . 1 1 111 111 LEU HD13 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 16316 1 1383 . 1 1 111 111 LEU HD21 H 1 0.80 0.02 . 1 . . . . 111 LEU HD2 . 16316 1 1384 . 1 1 111 111 LEU HD22 H 1 0.80 0.02 . 1 . . . . 111 LEU HD2 . 16316 1 1385 . 1 1 111 111 LEU HD23 H 1 0.80 0.02 . 1 . . . . 111 LEU HD2 . 16316 1 1386 . 1 1 111 111 LEU HG H 1 1.54 0.02 . 1 . . . . 111 LEU HG . 16316 1 1387 . 1 1 111 111 LEU C C 13 177.2 0.2 . 1 . . . . 111 LEU C . 16316 1 1388 . 1 1 111 111 LEU CA C 13 55.2 0.2 . 1 . . . . 111 LEU CA . 16316 1 1389 . 1 1 111 111 LEU CB C 13 42.3 0.2 . 1 . . . . 111 LEU CB . 16316 1 1390 . 1 1 111 111 LEU CD1 C 13 25.0 0.2 . 1 . . . . 111 LEU CD1 . 16316 1 1391 . 1 1 111 111 LEU CD2 C 13 23.6 0.2 . 1 . . . . 111 LEU CD2 . 16316 1 1392 . 1 1 111 111 LEU CG C 13 27.0 0.2 . 1 . . . . 111 LEU CG . 16316 1 1393 . 1 1 111 111 LEU N N 15 123.3 0.2 . 1 . . . . 111 LEU N . 16316 1 1394 . 1 1 112 112 GLU H H 1 8.35 0.02 . 1 . . . . 112 GLU H . 16316 1 1395 . 1 1 112 112 GLU C C 13 176.1 0.2 . 1 . . . . 112 GLU C . 16316 1 1396 . 1 1 112 112 GLU CA C 13 56.5 0.2 . 1 . . . . 112 GLU CA . 16316 1 1397 . 1 1 112 112 GLU CB C 13 30.4 0.2 . 1 . . . . 112 GLU CB . 16316 1 1398 . 1 1 112 112 GLU N N 15 121.3 0.2 . 1 . . . . 112 GLU N . 16316 1 1399 . 1 1 113 113 HIS H H 1 8.24 0.02 . 1 . . . . 113 HIS H . 16316 1 1400 . 1 1 113 113 HIS C C 13 174.60 0.2 . 1 . . . . 113 HIS C . 16316 1 1401 . 1 1 113 113 HIS CA C 13 56.2 0.2 . 1 . . . . 113 HIS CA . 16316 1 1402 . 1 1 113 113 HIS CB C 13 30.5 0.2 . 1 . . . . 113 HIS CB . 16316 1 1403 . 1 1 113 113 HIS N N 15 119.9 0.2 . 1 . . . . 113 HIS N . 16316 1 1404 . 1 1 114 114 HIS H H 1 8.29 0.02 . 1 . . . . 114 HIS H . 16316 1 1405 . 1 1 114 114 HIS N N 15 120.7 0.2 . 1 . . . . 114 HIS N . 16316 1 stop_ save_