data_11113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11113 _Entry.Title ; The solution structure of the thioredoxin-like domain of human Thioredoxin-related transmembrane protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11113 2 S. Koshiba . . . 11113 3 M. Inoue . . . 11113 4 T. Kigawa . . . 11113 5 S. Yokoyama . . . 11113 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 564 11113 '15N chemical shifts' 131 11113 '1H chemical shifts' 846 11113 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 . . 2011-02-18 2010-02-19 original author . 11113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5E 'BMRB Entry Tracking System' 11113 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11113 _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 ; The solution structure of the thioredoxin-like domain of human Thioredoxin-related transmembrane protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 N. Tochio . . . 11113 1 2 S. Koshiba . . . 11113 1 3 M. Inoue . . . 11113 1 4 T. Kigawa . . . 11113 1 5 S. Yokoyama . . . 11113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11113 _Assembly.ID 1 _Assembly.Name 'Thioredoxin domain containing protein 1' _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 'thioredoxin like domain' 1 $entity_1 A . yes native no no . . . 11113 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x5e . . . . . . 11113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'thioredoxin like domain' _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 ; GSSGSSGNVRVITDENWREL LEGDWMIEFYAPWCPACQNL QPEWESFAEWGEDLEVNIAK VDVTEQPGLSGRFIINALPT IYHCKDGEFRRYQGPRTKKD FINFISDKEWKSIEPVSSWF SGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _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 1X5E . "The Solution Structure Of The Thioredoxin-Like Domain Of Human Thioredoxin-Related Transmembrane Protein" . . . . . 100.00 126 100.00 100.00 1.51e-86 . . . . 11113 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'thioredoxin like domain' . 11113 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 . GLY . 11113 1 2 . SER . 11113 1 3 . SER . 11113 1 4 . GLY . 11113 1 5 . SER . 11113 1 6 . SER . 11113 1 7 . GLY . 11113 1 8 . ASN . 11113 1 9 . VAL . 11113 1 10 . ARG . 11113 1 11 . VAL . 11113 1 12 . ILE . 11113 1 13 . THR . 11113 1 14 . ASP . 11113 1 15 . GLU . 11113 1 16 . ASN . 11113 1 17 . TRP . 11113 1 18 . ARG . 11113 1 19 . GLU . 11113 1 20 . LEU . 11113 1 21 . LEU . 11113 1 22 . GLU . 11113 1 23 . GLY . 11113 1 24 . ASP . 11113 1 25 . TRP . 11113 1 26 . MET . 11113 1 27 . ILE . 11113 1 28 . GLU . 11113 1 29 . PHE . 11113 1 30 . TYR . 11113 1 31 . ALA . 11113 1 32 . PRO . 11113 1 33 . TRP . 11113 1 34 . CYS . 11113 1 35 . PRO . 11113 1 36 . ALA . 11113 1 37 . CYS . 11113 1 38 . GLN . 11113 1 39 . ASN . 11113 1 40 . LEU . 11113 1 41 . GLN . 11113 1 42 . PRO . 11113 1 43 . GLU . 11113 1 44 . TRP . 11113 1 45 . GLU . 11113 1 46 . SER . 11113 1 47 . PHE . 11113 1 48 . ALA . 11113 1 49 . GLU . 11113 1 50 . TRP . 11113 1 51 . GLY . 11113 1 52 . GLU . 11113 1 53 . ASP . 11113 1 54 . LEU . 11113 1 55 . GLU . 11113 1 56 . VAL . 11113 1 57 . ASN . 11113 1 58 . ILE . 11113 1 59 . ALA . 11113 1 60 . LYS . 11113 1 61 . VAL . 11113 1 62 . ASP . 11113 1 63 . VAL . 11113 1 64 . THR . 11113 1 65 . GLU . 11113 1 66 . GLN . 11113 1 67 . PRO . 11113 1 68 . GLY . 11113 1 69 . LEU . 11113 1 70 . SER . 11113 1 71 . GLY . 11113 1 72 . ARG . 11113 1 73 . PHE . 11113 1 74 . ILE . 11113 1 75 . ILE . 11113 1 76 . ASN . 11113 1 77 . ALA . 11113 1 78 . LEU . 11113 1 79 . PRO . 11113 1 80 . THR . 11113 1 81 . ILE . 11113 1 82 . TYR . 11113 1 83 . HIS . 11113 1 84 . CYS . 11113 1 85 . LYS . 11113 1 86 . ASP . 11113 1 87 . GLY . 11113 1 88 . GLU . 11113 1 89 . PHE . 11113 1 90 . ARG . 11113 1 91 . ARG . 11113 1 92 . TYR . 11113 1 93 . GLN . 11113 1 94 . GLY . 11113 1 95 . PRO . 11113 1 96 . ARG . 11113 1 97 . THR . 11113 1 98 . LYS . 11113 1 99 . LYS . 11113 1 100 . ASP . 11113 1 101 . PHE . 11113 1 102 . ILE . 11113 1 103 . ASN . 11113 1 104 . PHE . 11113 1 105 . ILE . 11113 1 106 . SER . 11113 1 107 . ASP . 11113 1 108 . LYS . 11113 1 109 . GLU . 11113 1 110 . TRP . 11113 1 111 . LYS . 11113 1 112 . SER . 11113 1 113 . ILE . 11113 1 114 . GLU . 11113 1 115 . PRO . 11113 1 116 . VAL . 11113 1 117 . SER . 11113 1 118 . SER . 11113 1 119 . TRP . 11113 1 120 . PHE . 11113 1 121 . SER . 11113 1 122 . GLY . 11113 1 123 . PRO . 11113 1 124 . SER . 11113 1 125 . SER . 11113 1 126 . GLY . 11113 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 . GLY 1 1 11113 1 . SER 2 2 11113 1 . SER 3 3 11113 1 . GLY 4 4 11113 1 . SER 5 5 11113 1 . SER 6 6 11113 1 . GLY 7 7 11113 1 . ASN 8 8 11113 1 . VAL 9 9 11113 1 . ARG 10 10 11113 1 . VAL 11 11 11113 1 . ILE 12 12 11113 1 . THR 13 13 11113 1 . ASP 14 14 11113 1 . GLU 15 15 11113 1 . ASN 16 16 11113 1 . TRP 17 17 11113 1 . ARG 18 18 11113 1 . GLU 19 19 11113 1 . LEU 20 20 11113 1 . LEU 21 21 11113 1 . GLU 22 22 11113 1 . GLY 23 23 11113 1 . ASP 24 24 11113 1 . TRP 25 25 11113 1 . MET 26 26 11113 1 . ILE 27 27 11113 1 . GLU 28 28 11113 1 . PHE 29 29 11113 1 . TYR 30 30 11113 1 . ALA 31 31 11113 1 . PRO 32 32 11113 1 . TRP 33 33 11113 1 . CYS 34 34 11113 1 . PRO 35 35 11113 1 . ALA 36 36 11113 1 . CYS 37 37 11113 1 . GLN 38 38 11113 1 . ASN 39 39 11113 1 . LEU 40 40 11113 1 . GLN 41 41 11113 1 . PRO 42 42 11113 1 . GLU 43 43 11113 1 . TRP 44 44 11113 1 . GLU 45 45 11113 1 . SER 46 46 11113 1 . PHE 47 47 11113 1 . ALA 48 48 11113 1 . GLU 49 49 11113 1 . TRP 50 50 11113 1 . GLY 51 51 11113 1 . GLU 52 52 11113 1 . ASP 53 53 11113 1 . LEU 54 54 11113 1 . GLU 55 55 11113 1 . VAL 56 56 11113 1 . ASN 57 57 11113 1 . ILE 58 58 11113 1 . ALA 59 59 11113 1 . LYS 60 60 11113 1 . VAL 61 61 11113 1 . ASP 62 62 11113 1 . VAL 63 63 11113 1 . THR 64 64 11113 1 . GLU 65 65 11113 1 . GLN 66 66 11113 1 . PRO 67 67 11113 1 . GLY 68 68 11113 1 . LEU 69 69 11113 1 . SER 70 70 11113 1 . GLY 71 71 11113 1 . ARG 72 72 11113 1 . PHE 73 73 11113 1 . ILE 74 74 11113 1 . ILE 75 75 11113 1 . ASN 76 76 11113 1 . ALA 77 77 11113 1 . LEU 78 78 11113 1 . PRO 79 79 11113 1 . THR 80 80 11113 1 . ILE 81 81 11113 1 . TYR 82 82 11113 1 . HIS 83 83 11113 1 . CYS 84 84 11113 1 . LYS 85 85 11113 1 . ASP 86 86 11113 1 . GLY 87 87 11113 1 . GLU 88 88 11113 1 . PHE 89 89 11113 1 . ARG 90 90 11113 1 . ARG 91 91 11113 1 . TYR 92 92 11113 1 . GLN 93 93 11113 1 . GLY 94 94 11113 1 . PRO 95 95 11113 1 . ARG 96 96 11113 1 . THR 97 97 11113 1 . LYS 98 98 11113 1 . LYS 99 99 11113 1 . ASP 100 100 11113 1 . PHE 101 101 11113 1 . ILE 102 102 11113 1 . ASN 103 103 11113 1 . PHE 104 104 11113 1 . ILE 105 105 11113 1 . SER 106 106 11113 1 . ASP 107 107 11113 1 . LYS 108 108 11113 1 . GLU 109 109 11113 1 . TRP 110 110 11113 1 . LYS 111 111 11113 1 . SER 112 112 11113 1 . ILE 113 113 11113 1 . GLU 114 114 11113 1 . PRO 115 115 11113 1 . VAL 116 116 11113 1 . SER 117 117 11113 1 . SER 118 118 11113 1 . TRP 119 119 11113 1 . PHE 120 120 11113 1 . SER 121 121 11113 1 . GLY 122 122 11113 1 . PRO 123 123 11113 1 . SER 124 124 11113 1 . SER 125 125 11113 1 . GLY 126 126 11113 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 11113 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11113 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 11113 _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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041108-16 . . . . . . 11113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11113 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM thioredoxin like domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11113 1 2 'd-Tris HCl' [U-2H] . . . . . buffer 20 . . mM . . . . 11113 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11113 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11113 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11113 1 6 H2O . . . . . . solvent 90 . . % . . . . 11113 1 7 D2O . . . . . . solvent 10 . . % . . . . 11113 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11113 _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' 120 0.1 mM 11113 1 pH 7.0 0.05 pH 11113 1 pressure 1 0.001 atm 11113 1 temperature 296 0.1 K 11113 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11113 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11113 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11113 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11113 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11113 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11113 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11113 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11113 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11113 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11113 _Software.ID 4 _Software.Name Kujira _Software.Version 0.926 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11113 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11113 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11113 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11113 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11113 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 11113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11113 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11113 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 11113 _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 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11113 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11113 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11113 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11113 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11113 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11113 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11113 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11113 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11113 1 2 $NMRPipe . . 11113 1 3 $NMRView . . 11113 1 4 $KUJIRA . . 11113 1 5 $CYANA . . 11113 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 4 4 GLY HA2 H 1 4.027 0.030 . 2 . . . . 4 GLY HA2 . 11113 1 2 . 1 1 4 4 GLY HA3 H 1 3.962 0.030 . 2 . . . . 4 GLY HA3 . 11113 1 3 . 1 1 4 4 GLY C C 13 174.264 0.300 . 1 . . . . 4 GLY C . 11113 1 4 . 1 1 4 4 GLY CA C 13 45.360 0.300 . 1 . . . . 4 GLY CA . 11113 1 5 . 1 1 5 5 SER H H 1 8.256 0.030 . 1 . . . . 5 SER H . 11113 1 6 . 1 1 5 5 SER HA H 1 4.510 0.030 . 1 . . . . 5 SER HA . 11113 1 7 . 1 1 5 5 SER HB2 H 1 3.843 0.030 . 2 . . . . 5 SER HB2 . 11113 1 8 . 1 1 5 5 SER C C 13 174.761 0.300 . 1 . . . . 5 SER C . 11113 1 9 . 1 1 5 5 SER CA C 13 58.469 0.300 . 1 . . . . 5 SER CA . 11113 1 10 . 1 1 5 5 SER CB C 13 63.999 0.300 . 1 . . . . 5 SER CB . 11113 1 11 . 1 1 5 5 SER N N 15 115.777 0.300 . 1 . . . . 5 SER N . 11113 1 12 . 1 1 6 6 SER H H 1 8.507 0.030 . 1 . . . . 6 SER H . 11113 1 13 . 1 1 6 6 SER HA H 1 4.485 0.030 . 1 . . . . 6 SER HA . 11113 1 14 . 1 1 6 6 SER HB2 H 1 3.882 0.030 . 2 . . . . 6 SER HB2 . 11113 1 15 . 1 1 6 6 SER C C 13 174.983 0.300 . 1 . . . . 6 SER C . 11113 1 16 . 1 1 6 6 SER CA C 13 58.544 0.300 . 1 . . . . 6 SER CA . 11113 1 17 . 1 1 6 6 SER CB C 13 63.930 0.300 . 1 . . . . 6 SER CB . 11113 1 18 . 1 1 6 6 SER N N 15 117.898 0.300 . 1 . . . . 6 SER N . 11113 1 19 . 1 1 7 7 GLY H H 1 8.426 0.030 . 1 . . . . 7 GLY H . 11113 1 20 . 1 1 7 7 GLY HA2 H 1 3.922 0.030 . 1 . . . . 7 GLY HA2 . 11113 1 21 . 1 1 7 7 GLY HA3 H 1 3.922 0.030 . 1 . . . . 7 GLY HA3 . 11113 1 22 . 1 1 7 7 GLY C C 13 173.791 0.300 . 1 . . . . 7 GLY C . 11113 1 23 . 1 1 7 7 GLY CA C 13 45.526 0.300 . 1 . . . . 7 GLY CA . 11113 1 24 . 1 1 7 7 GLY N N 15 110.725 0.300 . 1 . . . . 7 GLY N . 11113 1 25 . 1 1 8 8 ASN H H 1 8.418 0.030 . 1 . . . . 8 ASN H . 11113 1 26 . 1 1 8 8 ASN HA H 1 4.693 0.030 . 1 . . . . 8 ASN HA . 11113 1 27 . 1 1 8 8 ASN HB2 H 1 2.702 0.030 . 2 . . . . 8 ASN HB2 . 11113 1 28 . 1 1 8 8 ASN HB3 H 1 2.577 0.030 . 2 . . . . 8 ASN HB3 . 11113 1 29 . 1 1 8 8 ASN HD21 H 1 7.569 0.030 . 2 . . . . 8 ASN HD21 . 11113 1 30 . 1 1 8 8 ASN HD22 H 1 6.959 0.030 . 2 . . . . 8 ASN HD22 . 11113 1 31 . 1 1 8 8 ASN C C 13 174.498 0.300 . 1 . . . . 8 ASN C . 11113 1 32 . 1 1 8 8 ASN CA C 13 53.326 0.300 . 1 . . . . 8 ASN CA . 11113 1 33 . 1 1 8 8 ASN CB C 13 39.708 0.300 . 1 . . . . 8 ASN CB . 11113 1 34 . 1 1 8 8 ASN N N 15 118.055 0.300 . 1 . . . . 8 ASN N . 11113 1 35 . 1 1 8 8 ASN ND2 N 15 112.859 0.300 . 1 . . . . 8 ASN ND2 . 11113 1 36 . 1 1 9 9 VAL H H 1 8.137 0.030 . 1 . . . . 9 VAL H . 11113 1 37 . 1 1 9 9 VAL HA H 1 3.992 0.030 . 1 . . . . 9 VAL HA . 11113 1 38 . 1 1 9 9 VAL HB H 1 2.058 0.030 . 1 . . . . 9 VAL HB . 11113 1 39 . 1 1 9 9 VAL HG11 H 1 0.986 0.030 . 1 . . . . 9 VAL HG1 . 11113 1 40 . 1 1 9 9 VAL HG12 H 1 0.986 0.030 . 1 . . . . 9 VAL HG1 . 11113 1 41 . 1 1 9 9 VAL HG13 H 1 0.986 0.030 . 1 . . . . 9 VAL HG1 . 11113 1 42 . 1 1 9 9 VAL HG21 H 1 0.848 0.030 . 1 . . . . 9 VAL HG2 . 11113 1 43 . 1 1 9 9 VAL HG22 H 1 0.848 0.030 . 1 . . . . 9 VAL HG2 . 11113 1 44 . 1 1 9 9 VAL HG23 H 1 0.848 0.030 . 1 . . . . 9 VAL HG2 . 11113 1 45 . 1 1 9 9 VAL C C 13 175.914 0.300 . 1 . . . . 9 VAL C . 11113 1 46 . 1 1 9 9 VAL CA C 13 61.968 0.300 . 1 . . . . 9 VAL CA . 11113 1 47 . 1 1 9 9 VAL CB C 13 32.200 0.300 . 1 . . . . 9 VAL CB . 11113 1 48 . 1 1 9 9 VAL CG1 C 13 21.801 0.300 . 2 . . . . 9 VAL CG1 . 11113 1 49 . 1 1 9 9 VAL CG2 C 13 22.258 0.300 . 2 . . . . 9 VAL CG2 . 11113 1 50 . 1 1 9 9 VAL N N 15 120.841 0.300 . 1 . . . . 9 VAL N . 11113 1 51 . 1 1 10 10 ARG H H 1 9.071 0.030 . 1 . . . . 10 ARG H . 11113 1 52 . 1 1 10 10 ARG HA H 1 4.331 0.030 . 1 . . . . 10 ARG HA . 11113 1 53 . 1 1 10 10 ARG HB2 H 1 2.001 0.030 . 2 . . . . 10 ARG HB2 . 11113 1 54 . 1 1 10 10 ARG HB3 H 1 1.928 0.030 . 2 . . . . 10 ARG HB3 . 11113 1 55 . 1 1 10 10 ARG HD2 H 1 3.227 0.030 . 1 . . . . 10 ARG HD2 . 11113 1 56 . 1 1 10 10 ARG HD3 H 1 3.227 0.030 . 1 . . . . 10 ARG HD3 . 11113 1 57 . 1 1 10 10 ARG HE H 1 7.516 0.030 . 1 . . . . 10 ARG HE . 11113 1 58 . 1 1 10 10 ARG HG2 H 1 1.777 0.030 . 1 . . . . 10 ARG HG2 . 11113 1 59 . 1 1 10 10 ARG HG3 H 1 1.777 0.030 . 1 . . . . 10 ARG HG3 . 11113 1 60 . 1 1 10 10 ARG C C 13 175.307 0.300 . 1 . . . . 10 ARG C . 11113 1 61 . 1 1 10 10 ARG CA C 13 55.844 0.300 . 1 . . . . 10 ARG CA . 11113 1 62 . 1 1 10 10 ARG CB C 13 30.758 0.300 . 1 . . . . 10 ARG CB . 11113 1 63 . 1 1 10 10 ARG CD C 13 42.958 0.300 . 1 . . . . 10 ARG CD . 11113 1 64 . 1 1 10 10 ARG CG C 13 26.950 0.300 . 1 . . . . 10 ARG CG . 11113 1 65 . 1 1 10 10 ARG N N 15 129.447 0.300 . 1 . . . . 10 ARG N . 11113 1 66 . 1 1 10 10 ARG NE N 15 83.436 0.300 . 1 . . . . 10 ARG NE . 11113 1 67 . 1 1 11 11 VAL H H 1 8.698 0.030 . 1 . . . . 11 VAL H . 11113 1 68 . 1 1 11 11 VAL HA H 1 4.238 0.030 . 1 . . . . 11 VAL HA . 11113 1 69 . 1 1 11 11 VAL HB H 1 2.006 0.030 . 1 . . . . 11 VAL HB . 11113 1 70 . 1 1 11 11 VAL HG11 H 1 1.039 0.030 . 1 . . . . 11 VAL HG1 . 11113 1 71 . 1 1 11 11 VAL HG12 H 1 1.039 0.030 . 1 . . . . 11 VAL HG1 . 11113 1 72 . 1 1 11 11 VAL HG13 H 1 1.039 0.030 . 1 . . . . 11 VAL HG1 . 11113 1 73 . 1 1 11 11 VAL HG21 H 1 0.924 0.030 . 1 . . . . 11 VAL HG2 . 11113 1 74 . 1 1 11 11 VAL HG22 H 1 0.924 0.030 . 1 . . . . 11 VAL HG2 . 11113 1 75 . 1 1 11 11 VAL HG23 H 1 0.924 0.030 . 1 . . . . 11 VAL HG2 . 11113 1 76 . 1 1 11 11 VAL C C 13 176.127 0.300 . 1 . . . . 11 VAL C . 11113 1 77 . 1 1 11 11 VAL CA C 13 63.354 0.300 . 1 . . . . 11 VAL CA . 11113 1 78 . 1 1 11 11 VAL CB C 13 32.277 0.300 . 1 . . . . 11 VAL CB . 11113 1 79 . 1 1 11 11 VAL CG1 C 13 21.784 0.300 . 2 . . . . 11 VAL CG1 . 11113 1 80 . 1 1 11 11 VAL CG2 C 13 21.074 0.300 . 2 . . . . 11 VAL CG2 . 11113 1 81 . 1 1 11 11 VAL N N 15 126.196 0.300 . 1 . . . . 11 VAL N . 11113 1 82 . 1 1 12 12 ILE H H 1 8.404 0.030 . 1 . . . . 12 ILE H . 11113 1 83 . 1 1 12 12 ILE HA H 1 4.841 0.030 . 1 . . . . 12 ILE HA . 11113 1 84 . 1 1 12 12 ILE HB H 1 1.714 0.030 . 1 . . . . 12 ILE HB . 11113 1 85 . 1 1 12 12 ILE HD11 H 1 0.476 0.030 . 1 . . . . 12 ILE HD1 . 11113 1 86 . 1 1 12 12 ILE HD12 H 1 0.476 0.030 . 1 . . . . 12 ILE HD1 . 11113 1 87 . 1 1 12 12 ILE HD13 H 1 0.476 0.030 . 1 . . . . 12 ILE HD1 . 11113 1 88 . 1 1 12 12 ILE HG12 H 1 1.381 0.030 . 2 . . . . 12 ILE HG12 . 11113 1 89 . 1 1 12 12 ILE HG13 H 1 0.929 0.030 . 2 . . . . 12 ILE HG13 . 11113 1 90 . 1 1 12 12 ILE HG21 H 1 0.740 0.030 . 1 . . . . 12 ILE HG2 . 11113 1 91 . 1 1 12 12 ILE HG22 H 1 0.740 0.030 . 1 . . . . 12 ILE HG2 . 11113 1 92 . 1 1 12 12 ILE HG23 H 1 0.740 0.030 . 1 . . . . 12 ILE HG2 . 11113 1 93 . 1 1 12 12 ILE C C 13 174.386 0.300 . 1 . . . . 12 ILE C . 11113 1 94 . 1 1 12 12 ILE CA C 13 57.235 0.300 . 1 . . . . 12 ILE CA . 11113 1 95 . 1 1 12 12 ILE CB C 13 36.459 0.300 . 1 . . . . 12 ILE CB . 11113 1 96 . 1 1 12 12 ILE CD1 C 13 8.824 0.300 . 1 . . . . 12 ILE CD1 . 11113 1 97 . 1 1 12 12 ILE CG1 C 13 27.311 0.300 . 1 . . . . 12 ILE CG1 . 11113 1 98 . 1 1 12 12 ILE CG2 C 13 17.411 0.300 . 1 . . . . 12 ILE CG2 . 11113 1 99 . 1 1 12 12 ILE N N 15 130.903 0.300 . 1 . . . . 12 ILE N . 11113 1 100 . 1 1 13 13 THR H H 1 9.249 0.030 . 1 . . . . 13 THR H . 11113 1 101 . 1 1 13 13 THR HA H 1 4.415 0.030 . 1 . . . . 13 THR HA . 11113 1 102 . 1 1 13 13 THR HB H 1 4.558 0.030 . 1 . . . . 13 THR HB . 11113 1 103 . 1 1 13 13 THR HG21 H 1 1.103 0.030 . 1 . . . . 13 THR HG2 . 11113 1 104 . 1 1 13 13 THR HG22 H 1 1.103 0.030 . 1 . . . . 13 THR HG2 . 11113 1 105 . 1 1 13 13 THR HG23 H 1 1.103 0.030 . 1 . . . . 13 THR HG2 . 11113 1 106 . 1 1 13 13 THR C C 13 174.569 0.300 . 1 . . . . 13 THR C . 11113 1 107 . 1 1 13 13 THR CA C 13 58.882 0.300 . 1 . . . . 13 THR CA . 11113 1 108 . 1 1 13 13 THR CB C 13 73.364 0.300 . 1 . . . . 13 THR CB . 11113 1 109 . 1 1 13 13 THR CG2 C 13 21.876 0.300 . 1 . . . . 13 THR CG2 . 11113 1 110 . 1 1 13 13 THR N N 15 116.448 0.300 . 1 . . . . 13 THR N . 11113 1 111 . 1 1 14 14 ASP H H 1 8.537 0.030 . 1 . . . . 14 ASP H . 11113 1 112 . 1 1 14 14 ASP HA H 1 4.503 0.030 . 1 . . . . 14 ASP HA . 11113 1 113 . 1 1 14 14 ASP HB2 H 1 2.804 0.030 . 2 . . . . 14 ASP HB2 . 11113 1 114 . 1 1 14 14 ASP HB3 H 1 2.738 0.030 . 2 . . . . 14 ASP HB3 . 11113 1 115 . 1 1 14 14 ASP C C 13 177.797 0.300 . 1 . . . . 14 ASP C . 11113 1 116 . 1 1 14 14 ASP CA C 13 57.401 0.300 . 1 . . . . 14 ASP CA . 11113 1 117 . 1 1 14 14 ASP CB C 13 40.647 0.300 . 1 . . . . 14 ASP CB . 11113 1 118 . 1 1 14 14 ASP N N 15 118.790 0.300 . 1 . . . . 14 ASP N . 11113 1 119 . 1 1 15 15 GLU H H 1 8.170 0.030 . 1 . . . . 15 GLU H . 11113 1 120 . 1 1 15 15 GLU HA H 1 4.357 0.030 . 1 . . . . 15 GLU HA . 11113 1 121 . 1 1 15 15 GLU HB2 H 1 2.036 0.030 . 2 . . . . 15 GLU HB2 . 11113 1 122 . 1 1 15 15 GLU HB3 H 1 1.918 0.030 . 2 . . . . 15 GLU HB3 . 11113 1 123 . 1 1 15 15 GLU HG2 H 1 2.323 0.030 . 1 . . . . 15 GLU HG2 . 11113 1 124 . 1 1 15 15 GLU HG3 H 1 2.323 0.030 . 1 . . . . 15 GLU HG3 . 11113 1 125 . 1 1 15 15 GLU C C 13 178.040 0.300 . 1 . . . . 15 GLU C . 11113 1 126 . 1 1 15 15 GLU CA C 13 58.226 0.300 . 1 . . . . 15 GLU CA . 11113 1 127 . 1 1 15 15 GLU CB C 13 30.402 0.300 . 1 . . . . 15 GLU CB . 11113 1 128 . 1 1 15 15 GLU CG C 13 36.622 0.300 . 1 . . . . 15 GLU CG . 11113 1 129 . 1 1 15 15 GLU N N 15 116.149 0.300 . 1 . . . . 15 GLU N . 11113 1 130 . 1 1 16 16 ASN H H 1 7.827 0.030 . 1 . . . . 16 ASN H . 11113 1 131 . 1 1 16 16 ASN HA H 1 4.934 0.030 . 1 . . . . 16 ASN HA . 11113 1 132 . 1 1 16 16 ASN HB2 H 1 3.278 0.030 . 2 . . . . 16 ASN HB2 . 11113 1 133 . 1 1 16 16 ASN HB3 H 1 2.726 0.030 . 2 . . . . 16 ASN HB3 . 11113 1 134 . 1 1 16 16 ASN HD21 H 1 7.566 0.030 . 2 . . . . 16 ASN HD21 . 11113 1 135 . 1 1 16 16 ASN HD22 H 1 6.785 0.030 . 2 . . . . 16 ASN HD22 . 11113 1 136 . 1 1 16 16 ASN C C 13 177.139 0.300 . 1 . . . . 16 ASN C . 11113 1 137 . 1 1 16 16 ASN CA C 13 52.880 0.300 . 1 . . . . 16 ASN CA . 11113 1 138 . 1 1 16 16 ASN CB C 13 39.302 0.300 . 1 . . . . 16 ASN CB . 11113 1 139 . 1 1 16 16 ASN N N 15 117.229 0.300 . 1 . . . . 16 ASN N . 11113 1 140 . 1 1 16 16 ASN ND2 N 15 106.699 0.300 . 1 . . . . 16 ASN ND2 . 11113 1 141 . 1 1 17 17 TRP H H 1 7.312 0.030 . 1 . . . . 17 TRP H . 11113 1 142 . 1 1 17 17 TRP HA H 1 4.060 0.030 . 1 . . . . 17 TRP HA . 11113 1 143 . 1 1 17 17 TRP HB2 H 1 3.286 0.030 . 1 . . . . 17 TRP HB2 . 11113 1 144 . 1 1 17 17 TRP HB3 H 1 3.286 0.030 . 1 . . . . 17 TRP HB3 . 11113 1 145 . 1 1 17 17 TRP HD1 H 1 7.522 0.030 . 1 . . . . 17 TRP HD1 . 11113 1 146 . 1 1 17 17 TRP HE1 H 1 9.953 0.030 . 1 . . . . 17 TRP HE1 . 11113 1 147 . 1 1 17 17 TRP HE3 H 1 7.235 0.030 . 1 . . . . 17 TRP HE3 . 11113 1 148 . 1 1 17 17 TRP HH2 H 1 6.887 0.030 . 1 . . . . 17 TRP HH2 . 11113 1 149 . 1 1 17 17 TRP HZ2 H 1 7.206 0.030 . 1 . . . . 17 TRP HZ2 . 11113 1 150 . 1 1 17 17 TRP HZ3 H 1 6.707 0.030 . 1 . . . . 17 TRP HZ3 . 11113 1 151 . 1 1 17 17 TRP C C 13 176.592 0.300 . 1 . . . . 17 TRP C . 11113 1 152 . 1 1 17 17 TRP CA C 13 60.147 0.300 . 1 . . . . 17 TRP CA . 11113 1 153 . 1 1 17 17 TRP CB C 13 28.903 0.300 . 1 . . . . 17 TRP CB . 11113 1 154 . 1 1 17 17 TRP CD1 C 13 127.415 0.300 . 1 . . . . 17 TRP CD1 . 11113 1 155 . 1 1 17 17 TRP CE3 C 13 120.554 0.300 . 1 . . . . 17 TRP CE3 . 11113 1 156 . 1 1 17 17 TRP CH2 C 13 124.130 0.300 . 1 . . . . 17 TRP CH2 . 11113 1 157 . 1 1 17 17 TRP CZ2 C 13 114.252 0.300 . 1 . . . . 17 TRP CZ2 . 11113 1 158 . 1 1 17 17 TRP CZ3 C 13 121.021 0.300 . 1 . . . . 17 TRP CZ3 . 11113 1 159 . 1 1 17 17 TRP N N 15 117.329 0.300 . 1 . . . . 17 TRP N . 11113 1 160 . 1 1 17 17 TRP NE1 N 15 129.743 0.300 . 1 . . . . 17 TRP NE1 . 11113 1 161 . 1 1 18 18 ARG H H 1 7.545 0.030 . 1 . . . . 18 ARG H . 11113 1 162 . 1 1 18 18 ARG HA H 1 3.096 0.030 . 1 . . . . 18 ARG HA . 11113 1 163 . 1 1 18 18 ARG HB2 H 1 1.394 0.030 . 2 . . . . 18 ARG HB2 . 11113 1 164 . 1 1 18 18 ARG HB3 H 1 1.156 0.030 . 2 . . . . 18 ARG HB3 . 11113 1 165 . 1 1 18 18 ARG HD2 H 1 2.798 0.030 . 1 . . . . 18 ARG HD2 . 11113 1 166 . 1 1 18 18 ARG HD3 H 1 2.798 0.030 . 1 . . . . 18 ARG HD3 . 11113 1 167 . 1 1 18 18 ARG HG2 H 1 0.356 0.030 . 2 . . . . 18 ARG HG2 . 11113 1 168 . 1 1 18 18 ARG HG3 H 1 0.228 0.030 . 2 . . . . 18 ARG HG3 . 11113 1 169 . 1 1 18 18 ARG C C 13 179.021 0.300 . 1 . . . . 18 ARG C . 11113 1 170 . 1 1 18 18 ARG CA C 13 58.985 0.300 . 1 . . . . 18 ARG CA . 11113 1 171 . 1 1 18 18 ARG CB C 13 28.153 0.300 . 1 . . . . 18 ARG CB . 11113 1 172 . 1 1 18 18 ARG CD C 13 42.716 0.300 . 1 . . . . 18 ARG CD . 11113 1 173 . 1 1 18 18 ARG CG C 13 27.371 0.300 . 1 . . . . 18 ARG CG . 11113 1 174 . 1 1 18 18 ARG N N 15 118.071 0.300 . 1 . . . . 18 ARG N . 11113 1 175 . 1 1 19 19 GLU H H 1 8.072 0.030 . 1 . . . . 19 GLU H . 11113 1 176 . 1 1 19 19 GLU HA H 1 3.903 0.030 . 1 . . . . 19 GLU HA . 11113 1 177 . 1 1 19 19 GLU HB2 H 1 2.313 0.030 . 2 . . . . 19 GLU HB2 . 11113 1 178 . 1 1 19 19 GLU HB3 H 1 1.762 0.030 . 2 . . . . 19 GLU HB3 . 11113 1 179 . 1 1 19 19 GLU HG2 H 1 2.487 0.030 . 2 . . . . 19 GLU HG2 . 11113 1 180 . 1 1 19 19 GLU HG3 H 1 2.266 0.030 . 2 . . . . 19 GLU HG3 . 11113 1 181 . 1 1 19 19 GLU C C 13 177.858 0.300 . 1 . . . . 19 GLU C . 11113 1 182 . 1 1 19 19 GLU CA C 13 59.618 0.300 . 1 . . . . 19 GLU CA . 11113 1 183 . 1 1 19 19 GLU CB C 13 29.704 0.300 . 1 . . . . 19 GLU CB . 11113 1 184 . 1 1 19 19 GLU CG C 13 37.320 0.300 . 1 . . . . 19 GLU CG . 11113 1 185 . 1 1 19 19 GLU N N 15 121.064 0.300 . 1 . . . . 19 GLU N . 11113 1 186 . 1 1 20 20 LEU H H 1 7.488 0.030 . 1 . . . . 20 LEU H . 11113 1 187 . 1 1 20 20 LEU HA H 1 2.594 0.030 . 1 . . . . 20 LEU HA . 11113 1 188 . 1 1 20 20 LEU HB2 H 1 1.595 0.030 . 2 . . . . 20 LEU HB2 . 11113 1 189 . 1 1 20 20 LEU HB3 H 1 1.124 0.030 . 2 . . . . 20 LEU HB3 . 11113 1 190 . 1 1 20 20 LEU HD11 H 1 0.629 0.030 . 1 . . . . 20 LEU HD1 . 11113 1 191 . 1 1 20 20 LEU HD12 H 1 0.629 0.030 . 1 . . . . 20 LEU HD1 . 11113 1 192 . 1 1 20 20 LEU HD13 H 1 0.629 0.030 . 1 . . . . 20 LEU HD1 . 11113 1 193 . 1 1 20 20 LEU HD21 H 1 -0.466 0.030 . 1 . . . . 20 LEU HD2 . 11113 1 194 . 1 1 20 20 LEU HD22 H 1 -0.466 0.030 . 1 . . . . 20 LEU HD2 . 11113 1 195 . 1 1 20 20 LEU HD23 H 1 -0.466 0.030 . 1 . . . . 20 LEU HD2 . 11113 1 196 . 1 1 20 20 LEU HG H 1 1.318 0.030 . 1 . . . . 20 LEU HG . 11113 1 197 . 1 1 20 20 LEU C C 13 176.147 0.300 . 1 . . . . 20 LEU C . 11113 1 198 . 1 1 20 20 LEU CA C 13 55.308 0.300 . 1 . . . . 20 LEU CA . 11113 1 199 . 1 1 20 20 LEU CB C 13 41.596 0.300 . 1 . . . . 20 LEU CB . 11113 1 200 . 1 1 20 20 LEU CD1 C 13 25.221 0.300 . 2 . . . . 20 LEU CD1 . 11113 1 201 . 1 1 20 20 LEU CD2 C 13 21.583 0.300 . 2 . . . . 20 LEU CD2 . 11113 1 202 . 1 1 20 20 LEU CG C 13 26.423 0.300 . 1 . . . . 20 LEU CG . 11113 1 203 . 1 1 20 20 LEU N N 15 113.649 0.300 . 1 . . . . 20 LEU N . 11113 1 204 . 1 1 21 21 LEU H H 1 7.008 0.030 . 1 . . . . 21 LEU H . 11113 1 205 . 1 1 21 21 LEU HA H 1 3.756 0.030 . 1 . . . . 21 LEU HA . 11113 1 206 . 1 1 21 21 LEU HB2 H 1 1.552 0.030 . 1 . . . . 21 LEU HB2 . 11113 1 207 . 1 1 21 21 LEU HB3 H 1 1.552 0.030 . 1 . . . . 21 LEU HB3 . 11113 1 208 . 1 1 21 21 LEU HD11 H 1 0.692 0.030 . 1 . . . . 21 LEU HD1 . 11113 1 209 . 1 1 21 21 LEU HD12 H 1 0.692 0.030 . 1 . . . . 21 LEU HD1 . 11113 1 210 . 1 1 21 21 LEU HD13 H 1 0.692 0.030 . 1 . . . . 21 LEU HD1 . 11113 1 211 . 1 1 21 21 LEU HD21 H 1 0.755 0.030 . 1 . . . . 21 LEU HD2 . 11113 1 212 . 1 1 21 21 LEU HD22 H 1 0.755 0.030 . 1 . . . . 21 LEU HD2 . 11113 1 213 . 1 1 21 21 LEU HD23 H 1 0.755 0.030 . 1 . . . . 21 LEU HD2 . 11113 1 214 . 1 1 21 21 LEU HG H 1 1.375 0.030 . 1 . . . . 21 LEU HG . 11113 1 215 . 1 1 21 21 LEU C C 13 175.206 0.300 . 1 . . . . 21 LEU C . 11113 1 216 . 1 1 21 21 LEU CA C 13 55.190 0.300 . 1 . . . . 21 LEU CA . 11113 1 217 . 1 1 21 21 LEU CB C 13 40.990 0.300 . 1 . . . . 21 LEU CB . 11113 1 218 . 1 1 21 21 LEU CD1 C 13 24.758 0.300 . 2 . . . . 21 LEU CD1 . 11113 1 219 . 1 1 21 21 LEU CD2 C 13 22.478 0.300 . 2 . . . . 21 LEU CD2 . 11113 1 220 . 1 1 21 21 LEU CG C 13 27.113 0.300 . 1 . . . . 21 LEU CG . 11113 1 221 . 1 1 21 21 LEU N N 15 113.168 0.300 . 1 . . . . 21 LEU N . 11113 1 222 . 1 1 22 22 GLU H H 1 7.324 0.030 . 1 . . . . 22 GLU H . 11113 1 223 . 1 1 22 22 GLU HA H 1 4.649 0.030 . 1 . . . . 22 GLU HA . 11113 1 224 . 1 1 22 22 GLU HB2 H 1 2.025 0.030 . 2 . . . . 22 GLU HB2 . 11113 1 225 . 1 1 22 22 GLU HB3 H 1 1.881 0.030 . 2 . . . . 22 GLU HB3 . 11113 1 226 . 1 1 22 22 GLU HG2 H 1 2.153 0.030 . 1 . . . . 22 GLU HG2 . 11113 1 227 . 1 1 22 22 GLU HG3 H 1 2.153 0.030 . 1 . . . . 22 GLU HG3 . 11113 1 228 . 1 1 22 22 GLU C C 13 175.824 0.300 . 1 . . . . 22 GLU C . 11113 1 229 . 1 1 22 22 GLU CA C 13 54.910 0.300 . 1 . . . . 22 GLU CA . 11113 1 230 . 1 1 22 22 GLU CB C 13 33.474 0.300 . 1 . . . . 22 GLU CB . 11113 1 231 . 1 1 22 22 GLU CG C 13 36.275 0.300 . 1 . . . . 22 GLU CG . 11113 1 232 . 1 1 22 22 GLU N N 15 116.435 0.300 . 1 . . . . 22 GLU N . 11113 1 233 . 1 1 23 23 GLY H H 1 8.752 0.030 . 1 . . . . 23 GLY H . 11113 1 234 . 1 1 23 23 GLY HA2 H 1 4.163 0.030 . 2 . . . . 23 GLY HA2 . 11113 1 235 . 1 1 23 23 GLY HA3 H 1 3.816 0.030 . 2 . . . . 23 GLY HA3 . 11113 1 236 . 1 1 23 23 GLY C C 13 173.124 0.300 . 1 . . . . 23 GLY C . 11113 1 237 . 1 1 23 23 GLY CA C 13 44.805 0.300 . 1 . . . . 23 GLY CA . 11113 1 238 . 1 1 23 23 GLY N N 15 110.260 0.300 . 1 . . . . 23 GLY N . 11113 1 239 . 1 1 24 24 ASP H H 1 8.137 0.030 . 1 . . . . 24 ASP H . 11113 1 240 . 1 1 24 24 ASP HA H 1 5.616 0.030 . 1 . . . . 24 ASP HA . 11113 1 241 . 1 1 24 24 ASP HB2 H 1 2.673 0.030 . 2 . . . . 24 ASP HB2 . 11113 1 242 . 1 1 24 24 ASP HB3 H 1 2.363 0.030 . 2 . . . . 24 ASP HB3 . 11113 1 243 . 1 1 24 24 ASP C C 13 176.297 0.300 . 1 . . . . 24 ASP C . 11113 1 244 . 1 1 24 24 ASP CA C 13 53.147 0.300 . 1 . . . . 24 ASP CA . 11113 1 245 . 1 1 24 24 ASP CB C 13 42.060 0.300 . 1 . . . . 24 ASP CB . 11113 1 246 . 1 1 24 24 ASP N N 15 120.555 0.300 . 1 . . . . 24 ASP N . 11113 1 247 . 1 1 25 25 TRP H H 1 9.590 0.030 . 1 . . . . 25 TRP H . 11113 1 248 . 1 1 25 25 TRP HA H 1 5.632 0.030 . 1 . . . . 25 TRP HA . 11113 1 249 . 1 1 25 25 TRP HB2 H 1 3.064 0.030 . 2 . . . . 25 TRP HB2 . 11113 1 250 . 1 1 25 25 TRP HB3 H 1 2.776 0.030 . 2 . . . . 25 TRP HB3 . 11113 1 251 . 1 1 25 25 TRP HD1 H 1 6.763 0.030 . 1 . . . . 25 TRP HD1 . 11113 1 252 . 1 1 25 25 TRP HE1 H 1 10.262 0.030 . 1 . . . . 25 TRP HE1 . 11113 1 253 . 1 1 25 25 TRP HE3 H 1 7.045 0.030 . 1 . . . . 25 TRP HE3 . 11113 1 254 . 1 1 25 25 TRP HH2 H 1 7.016 0.030 . 1 . . . . 25 TRP HH2 . 11113 1 255 . 1 1 25 25 TRP HZ2 H 1 7.321 0.030 . 1 . . . . 25 TRP HZ2 . 11113 1 256 . 1 1 25 25 TRP HZ3 H 1 6.568 0.030 . 1 . . . . 25 TRP HZ3 . 11113 1 257 . 1 1 25 25 TRP C C 13 176.066 0.300 . 1 . . . . 25 TRP C . 11113 1 258 . 1 1 25 25 TRP CA C 13 55.647 0.300 . 1 . . . . 25 TRP CA . 11113 1 259 . 1 1 25 25 TRP CB C 13 33.050 0.300 . 1 . . . . 25 TRP CB . 11113 1 260 . 1 1 25 25 TRP CD1 C 13 126.810 0.300 . 1 . . . . 25 TRP CD1 . 11113 1 261 . 1 1 25 25 TRP CE3 C 13 120.366 0.300 . 1 . . . . 25 TRP CE3 . 11113 1 262 . 1 1 25 25 TRP CH2 C 13 123.471 0.300 . 1 . . . . 25 TRP CH2 . 11113 1 263 . 1 1 25 25 TRP CZ2 C 13 115.844 0.300 . 1 . . . . 25 TRP CZ2 . 11113 1 264 . 1 1 25 25 TRP CZ3 C 13 120.401 0.300 . 1 . . . . 25 TRP CZ3 . 11113 1 265 . 1 1 25 25 TRP N N 15 122.311 0.300 . 1 . . . . 25 TRP N . 11113 1 266 . 1 1 25 25 TRP NE1 N 15 132.273 0.300 . 1 . . . . 25 TRP NE1 . 11113 1 267 . 1 1 26 26 MET H H 1 8.888 0.030 . 1 . . . . 26 MET H . 11113 1 268 . 1 1 26 26 MET HA H 1 5.600 0.030 . 1 . . . . 26 MET HA . 11113 1 269 . 1 1 26 26 MET HB2 H 1 2.343 0.030 . 2 . . . . 26 MET HB2 . 11113 1 270 . 1 1 26 26 MET HB3 H 1 2.063 0.030 . 2 . . . . 26 MET HB3 . 11113 1 271 . 1 1 26 26 MET HE1 H 1 1.684 0.030 . 1 . . . . 26 MET HE . 11113 1 272 . 1 1 26 26 MET HE2 H 1 1.684 0.030 . 1 . . . . 26 MET HE . 11113 1 273 . 1 1 26 26 MET HE3 H 1 1.684 0.030 . 1 . . . . 26 MET HE . 11113 1 274 . 1 1 26 26 MET HG2 H 1 2.790 0.030 . 2 . . . . 26 MET HG2 . 11113 1 275 . 1 1 26 26 MET HG3 H 1 2.659 0.030 . 2 . . . . 26 MET HG3 . 11113 1 276 . 1 1 26 26 MET C C 13 175.074 0.300 . 1 . . . . 26 MET C . 11113 1 277 . 1 1 26 26 MET CA C 13 54.822 0.300 . 1 . . . . 26 MET CA . 11113 1 278 . 1 1 26 26 MET CB C 13 37.522 0.300 . 1 . . . . 26 MET CB . 11113 1 279 . 1 1 26 26 MET CE C 13 17.106 0.300 . 1 . . . . 26 MET CE . 11113 1 280 . 1 1 26 26 MET CG C 13 34.106 0.300 . 1 . . . . 26 MET CG . 11113 1 281 . 1 1 26 26 MET N N 15 119.514 0.300 . 1 . . . . 26 MET N . 11113 1 282 . 1 1 27 27 ILE H H 1 9.802 0.030 . 1 . . . . 27 ILE H . 11113 1 283 . 1 1 27 27 ILE HA H 1 5.008 0.030 . 1 . . . . 27 ILE HA . 11113 1 284 . 1 1 27 27 ILE HB H 1 1.563 0.030 . 1 . . . . 27 ILE HB . 11113 1 285 . 1 1 27 27 ILE HD11 H 1 0.562 0.030 . 1 . . . . 27 ILE HD1 . 11113 1 286 . 1 1 27 27 ILE HD12 H 1 0.562 0.030 . 1 . . . . 27 ILE HD1 . 11113 1 287 . 1 1 27 27 ILE HD13 H 1 0.562 0.030 . 1 . . . . 27 ILE HD1 . 11113 1 288 . 1 1 27 27 ILE HG12 H 1 1.388 0.030 . 2 . . . . 27 ILE HG12 . 11113 1 289 . 1 1 27 27 ILE HG13 H 1 0.693 0.030 . 2 . . . . 27 ILE HG13 . 11113 1 290 . 1 1 27 27 ILE HG21 H 1 0.382 0.030 . 1 . . . . 27 ILE HG2 . 11113 1 291 . 1 1 27 27 ILE HG22 H 1 0.382 0.030 . 1 . . . . 27 ILE HG2 . 11113 1 292 . 1 1 27 27 ILE HG23 H 1 0.382 0.030 . 1 . . . . 27 ILE HG2 . 11113 1 293 . 1 1 27 27 ILE C C 13 173.334 0.300 . 1 . . . . 27 ILE C . 11113 1 294 . 1 1 27 27 ILE CA C 13 59.986 0.300 . 1 . . . . 27 ILE CA . 11113 1 295 . 1 1 27 27 ILE CB C 13 42.931 0.300 . 1 . . . . 27 ILE CB . 11113 1 296 . 1 1 27 27 ILE CD1 C 13 16.530 0.300 . 1 . . . . 27 ILE CD1 . 11113 1 297 . 1 1 27 27 ILE CG1 C 13 27.793 0.300 . 1 . . . . 27 ILE CG1 . 11113 1 298 . 1 1 27 27 ILE CG2 C 13 18.429 0.300 . 1 . . . . 27 ILE CG2 . 11113 1 299 . 1 1 27 27 ILE N N 15 121.718 0.300 . 1 . . . . 27 ILE N . 11113 1 300 . 1 1 28 28 GLU H H 1 7.695 0.030 . 1 . . . . 28 GLU H . 11113 1 301 . 1 1 28 28 GLU HA H 1 4.851 0.030 . 1 . . . . 28 GLU HA . 11113 1 302 . 1 1 28 28 GLU HB2 H 1 0.840 0.030 . 2 . . . . 28 GLU HB2 . 11113 1 303 . 1 1 28 28 GLU HB3 H 1 0.350 0.030 . 2 . . . . 28 GLU HB3 . 11113 1 304 . 1 1 28 28 GLU HG2 H 1 1.944 0.030 . 2 . . . . 28 GLU HG2 . 11113 1 305 . 1 1 28 28 GLU HG3 H 1 1.065 0.030 . 2 . . . . 28 GLU HG3 . 11113 1 306 . 1 1 28 28 GLU C C 13 173.425 0.300 . 1 . . . . 28 GLU C . 11113 1 307 . 1 1 28 28 GLU CA C 13 52.704 0.300 . 1 . . . . 28 GLU CA . 11113 1 308 . 1 1 28 28 GLU CB C 13 27.271 0.300 . 1 . . . . 28 GLU CB . 11113 1 309 . 1 1 28 28 GLU N N 15 123.798 0.300 . 1 . . . . 28 GLU N . 11113 1 310 . 1 1 29 29 PHE H H 1 9.466 0.030 . 1 . . . . 29 PHE H . 11113 1 311 . 1 1 29 29 PHE HA H 1 5.223 0.030 . 1 . . . . 29 PHE HA . 11113 1 312 . 1 1 29 29 PHE HB2 H 1 2.967 0.030 . 2 . . . . 29 PHE HB2 . 11113 1 313 . 1 1 29 29 PHE HB3 H 1 2.499 0.030 . 2 . . . . 29 PHE HB3 . 11113 1 314 . 1 1 29 29 PHE HD1 H 1 6.924 0.030 . 1 . . . . 29 PHE HD1 . 11113 1 315 . 1 1 29 29 PHE HD2 H 1 6.924 0.030 . 1 . . . . 29 PHE HD2 . 11113 1 316 . 1 1 29 29 PHE HE1 H 1 6.532 0.030 . 1 . . . . 29 PHE HE1 . 11113 1 317 . 1 1 29 29 PHE HE2 H 1 6.532 0.030 . 1 . . . . 29 PHE HE2 . 11113 1 318 . 1 1 29 29 PHE HZ H 1 5.478 0.030 . 1 . . . . 29 PHE HZ . 11113 1 319 . 1 1 29 29 PHE C C 13 174.650 0.300 . 1 . . . . 29 PHE C . 11113 1 320 . 1 1 29 29 PHE CA C 13 56.779 0.300 . 1 . . . . 29 PHE CA . 11113 1 321 . 1 1 29 29 PHE CB C 13 39.244 0.300 . 1 . . . . 29 PHE CB . 11113 1 322 . 1 1 29 29 PHE CD1 C 13 131.320 0.300 . 1 . . . . 29 PHE CD1 . 11113 1 323 . 1 1 29 29 PHE CD2 C 13 131.320 0.300 . 1 . . . . 29 PHE CD2 . 11113 1 324 . 1 1 29 29 PHE CE1 C 13 129.965 0.300 . 1 . . . . 29 PHE CE1 . 11113 1 325 . 1 1 29 29 PHE CE2 C 13 129.965 0.300 . 1 . . . . 29 PHE CE2 . 11113 1 326 . 1 1 29 29 PHE CZ C 13 128.660 0.300 . 1 . . . . 29 PHE CZ . 11113 1 327 . 1 1 29 29 PHE N N 15 125.630 0.300 . 1 . . . . 29 PHE N . 11113 1 328 . 1 1 30 30 TYR H H 1 8.949 0.030 . 1 . . . . 30 TYR H . 11113 1 329 . 1 1 30 30 TYR HA H 1 5.260 0.030 . 1 . . . . 30 TYR HA . 11113 1 330 . 1 1 30 30 TYR HB2 H 1 2.595 0.030 . 2 . . . . 30 TYR HB2 . 11113 1 331 . 1 1 30 30 TYR HB3 H 1 2.485 0.030 . 2 . . . . 30 TYR HB3 . 11113 1 332 . 1 1 30 30 TYR HD1 H 1 6.515 0.030 . 1 . . . . 30 TYR HD1 . 11113 1 333 . 1 1 30 30 TYR HD2 H 1 6.515 0.030 . 1 . . . . 30 TYR HD2 . 11113 1 334 . 1 1 30 30 TYR HE1 H 1 6.334 0.030 . 1 . . . . 30 TYR HE1 . 11113 1 335 . 1 1 30 30 TYR HE2 H 1 6.334 0.030 . 1 . . . . 30 TYR HE2 . 11113 1 336 . 1 1 30 30 TYR C C 13 170.794 0.300 . 1 . . . . 30 TYR C . 11113 1 337 . 1 1 30 30 TYR CA C 13 55.382 0.300 . 1 . . . . 30 TYR CA . 11113 1 338 . 1 1 30 30 TYR CB C 13 42.713 0.300 . 1 . . . . 30 TYR CB . 11113 1 339 . 1 1 30 30 TYR CD1 C 13 133.035 0.300 . 1 . . . . 30 TYR CD1 . 11113 1 340 . 1 1 30 30 TYR CD2 C 13 133.035 0.300 . 1 . . . . 30 TYR CD2 . 11113 1 341 . 1 1 30 30 TYR CE1 C 13 117.298 0.300 . 1 . . . . 30 TYR CE1 . 11113 1 342 . 1 1 30 30 TYR CE2 C 13 117.298 0.300 . 1 . . . . 30 TYR CE2 . 11113 1 343 . 1 1 30 30 TYR N N 15 119.484 0.300 . 1 . . . . 30 TYR N . 11113 1 344 . 1 1 31 31 ALA H H 1 7.592 0.030 . 1 . . . . 31 ALA H . 11113 1 345 . 1 1 31 31 ALA HA H 1 4.545 0.030 . 1 . . . . 31 ALA HA . 11113 1 346 . 1 1 31 31 ALA HB1 H 1 0.231 0.030 . 1 . . . . 31 ALA HB . 11113 1 347 . 1 1 31 31 ALA HB2 H 1 0.231 0.030 . 1 . . . . 31 ALA HB . 11113 1 348 . 1 1 31 31 ALA HB3 H 1 0.231 0.030 . 1 . . . . 31 ALA HB . 11113 1 349 . 1 1 31 31 ALA C C 13 176.794 0.300 . 1 . . . . 31 ALA C . 11113 1 350 . 1 1 31 31 ALA CA C 13 48.548 0.300 . 1 . . . . 31 ALA CA . 11113 1 351 . 1 1 31 31 ALA CB C 13 21.136 0.300 . 1 . . . . 31 ALA CB . 11113 1 352 . 1 1 31 31 ALA N N 15 120.224 0.300 . 1 . . . . 31 ALA N . 11113 1 353 . 1 1 32 32 PRO HA H 1 4.308 0.030 . 1 . . . . 32 PRO HA . 11113 1 354 . 1 1 32 32 PRO HB2 H 1 2.379 0.030 . 2 . . . . 32 PRO HB2 . 11113 1 355 . 1 1 32 32 PRO HB3 H 1 1.945 0.030 . 2 . . . . 32 PRO HB3 . 11113 1 356 . 1 1 32 32 PRO HD2 H 1 3.586 0.030 . 2 . . . . 32 PRO HD2 . 11113 1 357 . 1 1 32 32 PRO HD3 H 1 3.305 0.030 . 2 . . . . 32 PRO HD3 . 11113 1 358 . 1 1 32 32 PRO HG2 H 1 2.083 0.030 . 1 . . . . 32 PRO HG2 . 11113 1 359 . 1 1 32 32 PRO HG3 H 1 2.083 0.030 . 1 . . . . 32 PRO HG3 . 11113 1 360 . 1 1 32 32 PRO C C 13 176.431 0.300 . 1 . . . . 32 PRO C . 11113 1 361 . 1 1 32 32 PRO CA C 13 64.588 0.300 . 1 . . . . 32 PRO CA . 11113 1 362 . 1 1 32 32 PRO CB C 13 32.197 0.300 . 1 . . . . 32 PRO CB . 11113 1 363 . 1 1 32 32 PRO CD C 13 51.283 0.300 . 1 . . . . 32 PRO CD . 11113 1 364 . 1 1 32 32 PRO CG C 13 27.798 0.300 . 1 . . . . 32 PRO CG . 11113 1 365 . 1 1 33 33 TRP H H 1 6.252 0.030 . 1 . . . . 33 TRP H . 11113 1 366 . 1 1 33 33 TRP HA H 1 4.523 0.030 . 1 . . . . 33 TRP HA . 11113 1 367 . 1 1 33 33 TRP HB2 H 1 3.567 0.030 . 2 . . . . 33 TRP HB2 . 11113 1 368 . 1 1 33 33 TRP HB3 H 1 3.247 0.030 . 2 . . . . 33 TRP HB3 . 11113 1 369 . 1 1 33 33 TRP HD1 H 1 7.361 0.030 . 1 . . . . 33 TRP HD1 . 11113 1 370 . 1 1 33 33 TRP HE1 H 1 10.257 0.030 . 1 . . . . 33 TRP HE1 . 11113 1 371 . 1 1 33 33 TRP HE3 H 1 7.345 0.030 . 1 . . . . 33 TRP HE3 . 11113 1 372 . 1 1 33 33 TRP HH2 H 1 7.163 0.030 . 1 . . . . 33 TRP HH2 . 11113 1 373 . 1 1 33 33 TRP HZ2 H 1 7.318 0.030 . 1 . . . . 33 TRP HZ2 . 11113 1 374 . 1 1 33 33 TRP HZ3 H 1 7.156 0.030 . 1 . . . . 33 TRP HZ3 . 11113 1 375 . 1 1 33 33 TRP C C 13 175.550 0.300 . 1 . . . . 33 TRP C . 11113 1 376 . 1 1 33 33 TRP CA C 13 54.160 0.300 . 1 . . . . 33 TRP CA . 11113 1 377 . 1 1 33 33 TRP CB C 13 29.332 0.300 . 1 . . . . 33 TRP CB . 11113 1 378 . 1 1 33 33 TRP CD1 C 13 128.433 0.300 . 1 . . . . 33 TRP CD1 . 11113 1 379 . 1 1 33 33 TRP CE3 C 13 121.323 0.300 . 1 . . . . 33 TRP CE3 . 11113 1 380 . 1 1 33 33 TRP CH2 C 13 125.440 0.300 . 1 . . . . 33 TRP CH2 . 11113 1 381 . 1 1 33 33 TRP CZ2 C 13 114.711 0.300 . 1 . . . . 33 TRP CZ2 . 11113 1 382 . 1 1 33 33 TRP CZ3 C 13 122.129 0.300 . 1 . . . . 33 TRP CZ3 . 11113 1 383 . 1 1 33 33 TRP N N 15 110.181 0.300 . 1 . . . . 33 TRP N . 11113 1 384 . 1 1 33 33 TRP NE1 N 15 130.502 0.300 . 1 . . . . 33 TRP NE1 . 11113 1 385 . 1 1 34 34 CYS H H 1 6.717 0.030 . 1 . . . . 34 CYS H . 11113 1 386 . 1 1 34 34 CYS HA H 1 4.799 0.030 . 1 . . . . 34 CYS HA . 11113 1 387 . 1 1 34 34 CYS HB2 H 1 2.556 0.030 . 2 . . . . 34 CYS HB2 . 11113 1 388 . 1 1 34 34 CYS HB3 H 1 2.413 0.030 . 2 . . . . 34 CYS HB3 . 11113 1 389 . 1 1 34 34 CYS C C 13 175.338 0.300 . 1 . . . . 34 CYS C . 11113 1 390 . 1 1 34 34 CYS CA C 13 56.646 0.300 . 1 . . . . 34 CYS CA . 11113 1 391 . 1 1 34 34 CYS CB C 13 29.626 0.300 . 1 . . . . 34 CYS CB . 11113 1 392 . 1 1 34 34 CYS N N 15 127.231 0.300 . 1 . . . . 34 CYS N . 11113 1 393 . 1 1 35 35 PRO HA H 1 4.287 0.030 . 1 . . . . 35 PRO HA . 11113 1 394 . 1 1 35 35 PRO HB2 H 1 2.431 0.030 . 2 . . . . 35 PRO HB2 . 11113 1 395 . 1 1 35 35 PRO HB3 H 1 2.069 0.030 . 2 . . . . 35 PRO HB3 . 11113 1 396 . 1 1 35 35 PRO HD2 H 1 4.323 0.030 . 2 . . . . 35 PRO HD2 . 11113 1 397 . 1 1 35 35 PRO HD3 H 1 4.203 0.030 . 2 . . . . 35 PRO HD3 . 11113 1 398 . 1 1 35 35 PRO HG2 H 1 2.135 0.030 . 2 . . . . 35 PRO HG2 . 11113 1 399 . 1 1 35 35 PRO HG3 H 1 2.248 0.030 . 2 . . . . 35 PRO HG3 . 11113 1 400 . 1 1 35 35 PRO C C 13 179.443 0.300 . 1 . . . . 35 PRO C . 11113 1 401 . 1 1 35 35 PRO CA C 13 65.152 0.300 . 1 . . . . 35 PRO CA . 11113 1 402 . 1 1 35 35 PRO CB C 13 32.385 0.300 . 1 . . . . 35 PRO CB . 11113 1 403 . 1 1 35 35 PRO CD C 13 51.657 0.300 . 1 . . . . 35 PRO CD . 11113 1 404 . 1 1 35 35 PRO CG C 13 27.478 0.300 . 1 . . . . 35 PRO CG . 11113 1 405 . 1 1 36 36 ALA H H 1 8.787 0.030 . 1 . . . . 36 ALA H . 11113 1 406 . 1 1 36 36 ALA HA H 1 4.332 0.030 . 1 . . . . 36 ALA HA . 11113 1 407 . 1 1 36 36 ALA HB1 H 1 1.538 0.030 . 1 . . . . 36 ALA HB . 11113 1 408 . 1 1 36 36 ALA HB2 H 1 1.538 0.030 . 1 . . . . 36 ALA HB . 11113 1 409 . 1 1 36 36 ALA HB3 H 1 1.538 0.030 . 1 . . . . 36 ALA HB . 11113 1 410 . 1 1 36 36 ALA C C 13 182.253 0.300 . 1 . . . . 36 ALA C . 11113 1 411 . 1 1 36 36 ALA CA C 13 55.314 0.300 . 1 . . . . 36 ALA CA . 11113 1 412 . 1 1 36 36 ALA CB C 13 18.758 0.300 . 1 . . . . 36 ALA CB . 11113 1 413 . 1 1 36 36 ALA N N 15 126.511 0.300 . 1 . . . . 36 ALA N . 11113 1 414 . 1 1 37 37 CYS H H 1 9.618 0.030 . 1 . . . . 37 CYS H . 11113 1 415 . 1 1 37 37 CYS HA H 1 3.925 0.030 . 1 . . . . 37 CYS HA . 11113 1 416 . 1 1 37 37 CYS HB2 H 1 2.745 0.030 . 2 . . . . 37 CYS HB2 . 11113 1 417 . 1 1 37 37 CYS HB3 H 1 3.724 0.030 . 2 . . . . 37 CYS HB3 . 11113 1 418 . 1 1 37 37 CYS C C 13 178.578 0.300 . 1 . . . . 37 CYS C . 11113 1 419 . 1 1 37 37 CYS CA C 13 64.318 0.300 . 1 . . . . 37 CYS CA . 11113 1 420 . 1 1 37 37 CYS CB C 13 29.904 0.300 . 1 . . . . 37 CYS CB . 11113 1 421 . 1 1 38 38 GLN H H 1 9.046 0.030 . 1 . . . . 38 GLN H . 11113 1 422 . 1 1 38 38 GLN HA H 1 4.006 0.030 . 1 . . . . 38 GLN HA . 11113 1 423 . 1 1 38 38 GLN HB2 H 1 2.212 0.030 . 2 . . . . 38 GLN HB2 . 11113 1 424 . 1 1 38 38 GLN HB3 H 1 2.068 0.030 . 2 . . . . 38 GLN HB3 . 11113 1 425 . 1 1 38 38 GLN HE21 H 1 7.473 0.030 . 2 . . . . 38 GLN HE21 . 11113 1 426 . 1 1 38 38 GLN HE22 H 1 6.768 0.030 . 2 . . . . 38 GLN HE22 . 11113 1 427 . 1 1 38 38 GLN HG2 H 1 2.616 0.030 . 2 . . . . 38 GLN HG2 . 11113 1 428 . 1 1 38 38 GLN HG3 H 1 2.481 0.030 . 2 . . . . 38 GLN HG3 . 11113 1 429 . 1 1 38 38 GLN C C 13 179.547 0.300 . 1 . . . . 38 GLN C . 11113 1 430 . 1 1 38 38 GLN CA C 13 59.515 0.300 . 1 . . . . 38 GLN CA . 11113 1 431 . 1 1 38 38 GLN CB C 13 27.504 0.300 . 1 . . . . 38 GLN CB . 11113 1 432 . 1 1 38 38 GLN CG C 13 33.448 0.300 . 1 . . . . 38 GLN CG . 11113 1 433 . 1 1 38 38 GLN N N 15 123.053 0.300 . 1 . . . . 38 GLN N . 11113 1 434 . 1 1 38 38 GLN NE2 N 15 109.295 0.300 . 1 . . . . 38 GLN NE2 . 11113 1 435 . 1 1 39 39 ASN H H 1 7.882 0.030 . 1 . . . . 39 ASN H . 11113 1 436 . 1 1 39 39 ASN HA H 1 4.524 0.030 . 1 . . . . 39 ASN HA . 11113 1 437 . 1 1 39 39 ASN HB2 H 1 2.923 0.030 . 2 . . . . 39 ASN HB2 . 11113 1 438 . 1 1 39 39 ASN HB3 H 1 2.869 0.030 . 2 . . . . 39 ASN HB3 . 11113 1 439 . 1 1 39 39 ASN HD21 H 1 7.675 0.030 . 2 . . . . 39 ASN HD21 . 11113 1 440 . 1 1 39 39 ASN HD22 H 1 6.972 0.030 . 2 . . . . 39 ASN HD22 . 11113 1 441 . 1 1 39 39 ASN C C 13 176.370 0.300 . 1 . . . . 39 ASN C . 11113 1 442 . 1 1 39 39 ASN CA C 13 55.676 0.300 . 1 . . . . 39 ASN CA . 11113 1 443 . 1 1 39 39 ASN CB C 13 38.728 0.300 . 1 . . . . 39 ASN CB . 11113 1 444 . 1 1 39 39 ASN N N 15 117.131 0.300 . 1 . . . . 39 ASN N . 11113 1 445 . 1 1 39 39 ASN ND2 N 15 112.256 0.300 . 1 . . . . 39 ASN ND2 . 11113 1 446 . 1 1 40 40 LEU H H 1 7.360 0.030 . 1 . . . . 40 LEU H . 11113 1 447 . 1 1 40 40 LEU HA H 1 4.551 0.030 . 1 . . . . 40 LEU HA . 11113 1 448 . 1 1 40 40 LEU HB2 H 1 1.966 0.030 . 2 . . . . 40 LEU HB2 . 11113 1 449 . 1 1 40 40 LEU HB3 H 1 1.676 0.030 . 2 . . . . 40 LEU HB3 . 11113 1 450 . 1 1 40 40 LEU HD11 H 1 1.283 0.030 . 1 . . . . 40 LEU HD1 . 11113 1 451 . 1 1 40 40 LEU HD12 H 1 1.283 0.030 . 1 . . . . 40 LEU HD1 . 11113 1 452 . 1 1 40 40 LEU HD13 H 1 1.283 0.030 . 1 . . . . 40 LEU HD1 . 11113 1 453 . 1 1 40 40 LEU HD21 H 1 0.654 0.030 . 1 . . . . 40 LEU HD2 . 11113 1 454 . 1 1 40 40 LEU HD22 H 1 0.654 0.030 . 1 . . . . 40 LEU HD2 . 11113 1 455 . 1 1 40 40 LEU HD23 H 1 0.654 0.030 . 1 . . . . 40 LEU HD2 . 11113 1 456 . 1 1 40 40 LEU HG H 1 1.553 0.030 . 1 . . . . 40 LEU HG . 11113 1 457 . 1 1 40 40 LEU C C 13 177.837 0.300 . 1 . . . . 40 LEU C . 11113 1 458 . 1 1 40 40 LEU CA C 13 55.999 0.300 . 1 . . . . 40 LEU CA . 11113 1 459 . 1 1 40 40 LEU CB C 13 42.090 0.300 . 1 . . . . 40 LEU CB . 11113 1 460 . 1 1 40 40 LEU CD1 C 13 24.550 0.300 . 2 . . . . 40 LEU CD1 . 11113 1 461 . 1 1 40 40 LEU CD2 C 13 27.666 0.300 . 2 . . . . 40 LEU CD2 . 11113 1 462 . 1 1 40 40 LEU CG C 13 27.670 0.300 . 1 . . . . 40 LEU CG . 11113 1 463 . 1 1 40 40 LEU N N 15 117.820 0.300 . 1 . . . . 40 LEU N . 11113 1 464 . 1 1 41 41 GLN H H 1 7.432 0.030 . 1 . . . . 41 GLN H . 11113 1 465 . 1 1 41 41 GLN HA H 1 4.063 0.030 . 1 . . . . 41 GLN HA . 11113 1 466 . 1 1 41 41 GLN HB2 H 1 2.175 0.030 . 1 . . . . 41 GLN HB2 . 11113 1 467 . 1 1 41 41 GLN HB3 H 1 2.175 0.030 . 1 . . . . 41 GLN HB3 . 11113 1 468 . 1 1 41 41 GLN HE21 H 1 7.790 0.030 . 2 . . . . 41 GLN HE21 . 11113 1 469 . 1 1 41 41 GLN HE22 H 1 7.456 0.030 . 2 . . . . 41 GLN HE22 . 11113 1 470 . 1 1 41 41 GLN HG2 H 1 2.618 0.030 . 2 . . . . 41 GLN HG2 . 11113 1 471 . 1 1 41 41 GLN HG3 H 1 2.324 0.030 . 2 . . . . 41 GLN HG3 . 11113 1 472 . 1 1 41 41 GLN C C 13 174.489 0.300 . 1 . . . . 41 GLN C . 11113 1 473 . 1 1 41 41 GLN CA C 13 60.686 0.300 . 1 . . . . 41 GLN CA . 11113 1 474 . 1 1 41 41 GLN CB C 13 25.197 0.300 . 1 . . . . 41 GLN CB . 11113 1 475 . 1 1 41 41 GLN CG C 13 32.466 0.300 . 1 . . . . 41 GLN CG . 11113 1 476 . 1 1 41 41 GLN N N 15 116.073 0.300 . 1 . . . . 41 GLN N . 11113 1 477 . 1 1 41 41 GLN NE2 N 15 115.820 0.300 . 1 . . . . 41 GLN NE2 . 11113 1 478 . 1 1 42 42 PRO HA H 1 4.473 0.030 . 1 . . . . 42 PRO HA . 11113 1 479 . 1 1 42 42 PRO HB2 H 1 2.402 0.030 . 2 . . . . 42 PRO HB2 . 11113 1 480 . 1 1 42 42 PRO HB3 H 1 2.005 0.030 . 2 . . . . 42 PRO HB3 . 11113 1 481 . 1 1 42 42 PRO HD2 H 1 3.926 0.030 . 2 . . . . 42 PRO HD2 . 11113 1 482 . 1 1 42 42 PRO HD3 H 1 3.727 0.030 . 2 . . . . 42 PRO HD3 . 11113 1 483 . 1 1 42 42 PRO HG2 H 1 2.183 0.030 . 2 . . . . 42 PRO HG2 . 11113 1 484 . 1 1 42 42 PRO HG3 H 1 2.081 0.030 . 2 . . . . 42 PRO HG3 . 11113 1 485 . 1 1 42 42 PRO C C 13 180.604 0.300 . 1 . . . . 42 PRO C . 11113 1 486 . 1 1 42 42 PRO CA C 13 66.111 0.300 . 1 . . . . 42 PRO CA . 11113 1 487 . 1 1 42 42 PRO CB C 13 31.152 0.300 . 1 . . . . 42 PRO CB . 11113 1 488 . 1 1 42 42 PRO CD C 13 50.199 0.300 . 1 . . . . 42 PRO CD . 11113 1 489 . 1 1 42 42 PRO CG C 13 28.551 0.300 . 1 . . . . 42 PRO CG . 11113 1 490 . 1 1 43 43 GLU H H 1 7.111 0.030 . 1 . . . . 43 GLU H . 11113 1 491 . 1 1 43 43 GLU HA H 1 4.317 0.030 . 1 . . . . 43 GLU HA . 11113 1 492 . 1 1 43 43 GLU HB2 H 1 2.423 0.030 . 2 . . . . 43 GLU HB2 . 11113 1 493 . 1 1 43 43 GLU HB3 H 1 2.239 0.030 . 2 . . . . 43 GLU HB3 . 11113 1 494 . 1 1 43 43 GLU HG2 H 1 2.640 0.030 . 2 . . . . 43 GLU HG2 . 11113 1 495 . 1 1 43 43 GLU HG3 H 1 2.502 0.030 . 2 . . . . 43 GLU HG3 . 11113 1 496 . 1 1 43 43 GLU C C 13 178.566 0.300 . 1 . . . . 43 GLU C . 11113 1 497 . 1 1 43 43 GLU CA C 13 58.382 0.300 . 1 . . . . 43 GLU CA . 11113 1 498 . 1 1 43 43 GLU CB C 13 30.187 0.300 . 1 . . . . 43 GLU CB . 11113 1 499 . 1 1 43 43 GLU CG C 13 34.780 0.300 . 1 . . . . 43 GLU CG . 11113 1 500 . 1 1 43 43 GLU N N 15 117.511 0.300 . 1 . . . . 43 GLU N . 11113 1 501 . 1 1 44 44 TRP H H 1 8.697 0.030 . 1 . . . . 44 TRP H . 11113 1 502 . 1 1 44 44 TRP HA H 1 4.360 0.030 . 1 . . . . 44 TRP HA . 11113 1 503 . 1 1 44 44 TRP HB2 H 1 3.299 0.030 . 2 . . . . 44 TRP HB2 . 11113 1 504 . 1 1 44 44 TRP HB3 H 1 2.940 0.030 . 2 . . . . 44 TRP HB3 . 11113 1 505 . 1 1 44 44 TRP HD1 H 1 6.814 0.030 . 1 . . . . 44 TRP HD1 . 11113 1 506 . 1 1 44 44 TRP HE1 H 1 8.607 0.030 . 1 . . . . 44 TRP HE1 . 11113 1 507 . 1 1 44 44 TRP HE3 H 1 6.821 0.030 . 1 . . . . 44 TRP HE3 . 11113 1 508 . 1 1 44 44 TRP HH2 H 1 6.633 0.030 . 1 . . . . 44 TRP HH2 . 11113 1 509 . 1 1 44 44 TRP HZ2 H 1 7.604 0.030 . 1 . . . . 44 TRP HZ2 . 11113 1 510 . 1 1 44 44 TRP HZ3 H 1 5.237 0.030 . 1 . . . . 44 TRP HZ3 . 11113 1 511 . 1 1 44 44 TRP C C 13 177.847 0.300 . 1 . . . . 44 TRP C . 11113 1 512 . 1 1 44 44 TRP CA C 13 60.280 0.300 . 1 . . . . 44 TRP CA . 11113 1 513 . 1 1 44 44 TRP CB C 13 30.366 0.300 . 1 . . . . 44 TRP CB . 11113 1 514 . 1 1 44 44 TRP CD1 C 13 125.922 0.300 . 1 . . . . 44 TRP CD1 . 11113 1 515 . 1 1 44 44 TRP CE3 C 13 119.767 0.300 . 1 . . . . 44 TRP CE3 . 11113 1 516 . 1 1 44 44 TRP CH2 C 13 123.395 0.300 . 1 . . . . 44 TRP CH2 . 11113 1 517 . 1 1 44 44 TRP CZ2 C 13 115.163 0.300 . 1 . . . . 44 TRP CZ2 . 11113 1 518 . 1 1 44 44 TRP CZ3 C 13 120.822 0.300 . 1 . . . . 44 TRP CZ3 . 11113 1 519 . 1 1 44 44 TRP N N 15 122.245 0.300 . 1 . . . . 44 TRP N . 11113 1 520 . 1 1 44 44 TRP NE1 N 15 125.494 0.300 . 1 . . . . 44 TRP NE1 . 11113 1 521 . 1 1 45 45 GLU H H 1 8.647 0.030 . 1 . . . . 45 GLU H . 11113 1 522 . 1 1 45 45 GLU HA H 1 3.754 0.030 . 1 . . . . 45 GLU HA . 11113 1 523 . 1 1 45 45 GLU HB2 H 1 2.083 0.030 . 1 . . . . 45 GLU HB2 . 11113 1 524 . 1 1 45 45 GLU HB3 H 1 2.083 0.030 . 1 . . . . 45 GLU HB3 . 11113 1 525 . 1 1 45 45 GLU HG2 H 1 2.521 0.030 . 2 . . . . 45 GLU HG2 . 11113 1 526 . 1 1 45 45 GLU HG3 H 1 2.328 0.030 . 2 . . . . 45 GLU HG3 . 11113 1 527 . 1 1 45 45 GLU C C 13 179.345 0.300 . 1 . . . . 45 GLU C . 11113 1 528 . 1 1 45 45 GLU CA C 13 59.529 0.300 . 1 . . . . 45 GLU CA . 11113 1 529 . 1 1 45 45 GLU CB C 13 29.222 0.300 . 1 . . . . 45 GLU CB . 11113 1 530 . 1 1 45 45 GLU CG C 13 36.920 0.300 . 1 . . . . 45 GLU CG . 11113 1 531 . 1 1 45 45 GLU N N 15 116.071 0.300 . 1 . . . . 45 GLU N . 11113 1 532 . 1 1 46 46 SER H H 1 7.868 0.030 . 1 . . . . 46 SER H . 11113 1 533 . 1 1 46 46 SER HA H 1 4.404 0.030 . 1 . . . . 46 SER HA . 11113 1 534 . 1 1 46 46 SER HB2 H 1 4.116 0.030 . 2 . . . . 46 SER HB2 . 11113 1 535 . 1 1 46 46 SER HB3 H 1 4.052 0.030 . 2 . . . . 46 SER HB3 . 11113 1 536 . 1 1 46 46 SER C C 13 178.455 0.300 . 1 . . . . 46 SER C . 11113 1 537 . 1 1 46 46 SER CA C 13 61.613 0.300 . 1 . . . . 46 SER CA . 11113 1 538 . 1 1 46 46 SER CB C 13 63.118 0.300 . 1 . . . . 46 SER CB . 11113 1 539 . 1 1 46 46 SER N N 15 114.195 0.300 . 1 . . . . 46 SER N . 11113 1 540 . 1 1 47 47 PHE H H 1 8.376 0.030 . 1 . . . . 47 PHE H . 11113 1 541 . 1 1 47 47 PHE HA H 1 4.500 0.030 . 1 . . . . 47 PHE HA . 11113 1 542 . 1 1 47 47 PHE HB2 H 1 3.264 0.030 . 2 . . . . 47 PHE HB2 . 11113 1 543 . 1 1 47 47 PHE HB3 H 1 3.217 0.030 . 2 . . . . 47 PHE HB3 . 11113 1 544 . 1 1 47 47 PHE HD1 H 1 6.257 0.030 . 1 . . . . 47 PHE HD1 . 11113 1 545 . 1 1 47 47 PHE HD2 H 1 6.257 0.030 . 1 . . . . 47 PHE HD2 . 11113 1 546 . 1 1 47 47 PHE HE1 H 1 6.432 0.030 . 1 . . . . 47 PHE HE1 . 11113 1 547 . 1 1 47 47 PHE HE2 H 1 6.432 0.030 . 1 . . . . 47 PHE HE2 . 11113 1 548 . 1 1 47 47 PHE HZ H 1 6.746 0.030 . 1 . . . . 47 PHE HZ . 11113 1 549 . 1 1 47 47 PHE C C 13 175.914 0.300 . 1 . . . . 47 PHE C . 11113 1 550 . 1 1 47 47 PHE CA C 13 58.573 0.300 . 1 . . . . 47 PHE CA . 11113 1 551 . 1 1 47 47 PHE CB C 13 38.945 0.300 . 1 . . . . 47 PHE CB . 11113 1 552 . 1 1 47 47 PHE CD1 C 13 132.140 0.300 . 1 . . . . 47 PHE CD1 . 11113 1 553 . 1 1 47 47 PHE CD2 C 13 132.140 0.300 . 1 . . . . 47 PHE CD2 . 11113 1 554 . 1 1 47 47 PHE CE1 C 13 130.264 0.300 . 1 . . . . 47 PHE CE1 . 11113 1 555 . 1 1 47 47 PHE CE2 C 13 130.264 0.300 . 1 . . . . 47 PHE CE2 . 11113 1 556 . 1 1 47 47 PHE CZ C 13 128.357 0.300 . 1 . . . . 47 PHE CZ . 11113 1 557 . 1 1 47 47 PHE N N 15 123.604 0.300 . 1 . . . . 47 PHE N . 11113 1 558 . 1 1 48 48 ALA H H 1 8.040 0.030 . 1 . . . . 48 ALA H . 11113 1 559 . 1 1 48 48 ALA HA H 1 3.510 0.030 . 1 . . . . 48 ALA HA . 11113 1 560 . 1 1 48 48 ALA HB1 H 1 1.146 0.030 . 1 . . . . 48 ALA HB . 11113 1 561 . 1 1 48 48 ALA HB2 H 1 1.146 0.030 . 1 . . . . 48 ALA HB . 11113 1 562 . 1 1 48 48 ALA HB3 H 1 1.146 0.030 . 1 . . . . 48 ALA HB . 11113 1 563 . 1 1 48 48 ALA C C 13 179.223 0.300 . 1 . . . . 48 ALA C . 11113 1 564 . 1 1 48 48 ALA CA C 13 54.117 0.300 . 1 . . . . 48 ALA CA . 11113 1 565 . 1 1 48 48 ALA CB C 13 18.169 0.300 . 1 . . . . 48 ALA CB . 11113 1 566 . 1 1 48 48 ALA N N 15 119.188 0.300 . 1 . . . . 48 ALA N . 11113 1 567 . 1 1 49 49 GLU H H 1 7.439 0.030 . 1 . . . . 49 GLU H . 11113 1 568 . 1 1 49 49 GLU HA H 1 3.959 0.030 . 1 . . . . 49 GLU HA . 11113 1 569 . 1 1 49 49 GLU HB2 H 1 2.157 0.030 . 2 . . . . 49 GLU HB2 . 11113 1 570 . 1 1 49 49 GLU HB3 H 1 2.011 0.030 . 2 . . . . 49 GLU HB3 . 11113 1 571 . 1 1 49 49 GLU HG2 H 1 2.508 0.030 . 2 . . . . 49 GLU HG2 . 11113 1 572 . 1 1 49 49 GLU HG3 H 1 2.181 0.030 . 2 . . . . 49 GLU HG3 . 11113 1 573 . 1 1 49 49 GLU C C 13 178.060 0.300 . 1 . . . . 49 GLU C . 11113 1 574 . 1 1 49 49 GLU CA C 13 58.895 0.300 . 1 . . . . 49 GLU CA . 11113 1 575 . 1 1 49 49 GLU CB C 13 29.454 0.300 . 1 . . . . 49 GLU CB . 11113 1 576 . 1 1 49 49 GLU CG C 13 36.582 0.300 . 1 . . . . 49 GLU CG . 11113 1 577 . 1 1 49 49 GLU N N 15 117.566 0.300 . 1 . . . . 49 GLU N . 11113 1 578 . 1 1 50 50 TRP H H 1 8.251 0.030 . 1 . . . . 50 TRP H . 11113 1 579 . 1 1 50 50 TRP HA H 1 4.326 0.030 . 1 . . . . 50 TRP HA . 11113 1 580 . 1 1 50 50 TRP HB2 H 1 3.633 0.030 . 2 . . . . 50 TRP HB2 . 11113 1 581 . 1 1 50 50 TRP HB3 H 1 3.237 0.030 . 2 . . . . 50 TRP HB3 . 11113 1 582 . 1 1 50 50 TRP HD1 H 1 7.426 0.030 . 1 . . . . 50 TRP HD1 . 11113 1 583 . 1 1 50 50 TRP HE1 H 1 10.152 0.030 . 1 . . . . 50 TRP HE1 . 11113 1 584 . 1 1 50 50 TRP HE3 H 1 7.554 0.030 . 1 . . . . 50 TRP HE3 . 11113 1 585 . 1 1 50 50 TRP HH2 H 1 7.196 0.030 . 1 . . . . 50 TRP HH2 . 11113 1 586 . 1 1 50 50 TRP HZ2 H 1 7.468 0.030 . 1 . . . . 50 TRP HZ2 . 11113 1 587 . 1 1 50 50 TRP HZ3 H 1 7.094 0.030 . 1 . . . . 50 TRP HZ3 . 11113 1 588 . 1 1 50 50 TRP C C 13 176.471 0.300 . 1 . . . . 50 TRP C . 11113 1 589 . 1 1 50 50 TRP CA C 13 59.014 0.300 . 1 . . . . 50 TRP CA . 11113 1 590 . 1 1 50 50 TRP CB C 13 28.149 0.300 . 1 . . . . 50 TRP CB . 11113 1 591 . 1 1 50 50 TRP CD1 C 13 126.580 0.300 . 1 . . . . 50 TRP CD1 . 11113 1 592 . 1 1 50 50 TRP CE3 C 13 120.301 0.300 . 1 . . . . 50 TRP CE3 . 11113 1 593 . 1 1 50 50 TRP CH2 C 13 124.360 0.300 . 1 . . . . 50 TRP CH2 . 11113 1 594 . 1 1 50 50 TRP CZ2 C 13 114.835 0.300 . 1 . . . . 50 TRP CZ2 . 11113 1 595 . 1 1 50 50 TRP CZ3 C 13 122.048 0.300 . 1 . . . . 50 TRP CZ3 . 11113 1 596 . 1 1 50 50 TRP N N 15 119.586 0.300 . 1 . . . . 50 TRP N . 11113 1 597 . 1 1 50 50 TRP NE1 N 15 129.124 0.300 . 1 . . . . 50 TRP NE1 . 11113 1 598 . 1 1 51 51 GLY H H 1 7.590 0.030 . 1 . . . . 51 GLY H . 11113 1 599 . 1 1 51 51 GLY HA2 H 1 3.625 0.030 . 2 . . . . 51 GLY HA2 . 11113 1 600 . 1 1 51 51 GLY HA3 H 1 3.392 0.030 . 2 . . . . 51 GLY HA3 . 11113 1 601 . 1 1 51 51 GLY C C 13 175.236 0.300 . 1 . . . . 51 GLY C . 11113 1 602 . 1 1 51 51 GLY CA C 13 47.968 0.300 . 1 . . . . 51 GLY CA . 11113 1 603 . 1 1 51 51 GLY N N 15 106.316 0.300 . 1 . . . . 51 GLY N . 11113 1 604 . 1 1 52 52 GLU H H 1 7.972 0.030 . 1 . . . . 52 GLU H . 11113 1 605 . 1 1 52 52 GLU HA H 1 3.977 0.030 . 1 . . . . 52 GLU HA . 11113 1 606 . 1 1 52 52 GLU HB2 H 1 1.963 0.030 . 1 . . . . 52 GLU HB2 . 11113 1 607 . 1 1 52 52 GLU HB3 H 1 1.963 0.030 . 1 . . . . 52 GLU HB3 . 11113 1 608 . 1 1 52 52 GLU HG2 H 1 2.169 0.030 . 2 . . . . 52 GLU HG2 . 11113 1 609 . 1 1 52 52 GLU HG3 H 1 2.237 0.030 . 2 . . . . 52 GLU HG3 . 11113 1 610 . 1 1 52 52 GLU C C 13 179.213 0.300 . 1 . . . . 52 GLU C . 11113 1 611 . 1 1 52 52 GLU CA C 13 59.521 0.300 . 1 . . . . 52 GLU CA . 11113 1 612 . 1 1 52 52 GLU CB C 13 29.192 0.300 . 1 . . . . 52 GLU CB . 11113 1 613 . 1 1 52 52 GLU CG C 13 36.395 0.300 . 1 . . . . 52 GLU CG . 11113 1 614 . 1 1 52 52 GLU N N 15 120.789 0.300 . 1 . . . . 52 GLU N . 11113 1 615 . 1 1 53 53 ASP H H 1 8.221 0.030 . 1 . . . . 53 ASP H . 11113 1 616 . 1 1 53 53 ASP HA H 1 4.418 0.030 . 1 . . . . 53 ASP HA . 11113 1 617 . 1 1 53 53 ASP HB2 H 1 2.702 0.030 . 2 . . . . 53 ASP HB2 . 11113 1 618 . 1 1 53 53 ASP HB3 H 1 2.610 0.030 . 2 . . . . 53 ASP HB3 . 11113 1 619 . 1 1 53 53 ASP C C 13 177.615 0.300 . 1 . . . . 53 ASP C . 11113 1 620 . 1 1 53 53 ASP CA C 13 56.561 0.300 . 1 . . . . 53 ASP CA . 11113 1 621 . 1 1 53 53 ASP CB C 13 41.016 0.300 . 1 . . . . 53 ASP CB . 11113 1 622 . 1 1 53 53 ASP N N 15 119.406 0.300 . 1 . . . . 53 ASP N . 11113 1 623 . 1 1 54 54 LEU H H 1 7.903 0.030 . 1 . . . . 54 LEU H . 11113 1 624 . 1 1 54 54 LEU HA H 1 4.356 0.030 . 1 . . . . 54 LEU HA . 11113 1 625 . 1 1 54 54 LEU HB2 H 1 1.669 0.030 . 1 . . . . 54 LEU HB2 . 11113 1 626 . 1 1 54 54 LEU HB3 H 1 1.669 0.030 . 1 . . . . 54 LEU HB3 . 11113 1 627 . 1 1 54 54 LEU HD11 H 1 0.853 0.030 . 1 . . . . 54 LEU HD1 . 11113 1 628 . 1 1 54 54 LEU HD12 H 1 0.853 0.030 . 1 . . . . 54 LEU HD1 . 11113 1 629 . 1 1 54 54 LEU HD13 H 1 0.853 0.030 . 1 . . . . 54 LEU HD1 . 11113 1 630 . 1 1 54 54 LEU HD21 H 1 0.948 0.030 . 1 . . . . 54 LEU HD2 . 11113 1 631 . 1 1 54 54 LEU HD22 H 1 0.948 0.030 . 1 . . . . 54 LEU HD2 . 11113 1 632 . 1 1 54 54 LEU HD23 H 1 0.948 0.030 . 1 . . . . 54 LEU HD2 . 11113 1 633 . 1 1 54 54 LEU HG H 1 1.984 0.030 . 1 . . . . 54 LEU HG . 11113 1 634 . 1 1 54 54 LEU C C 13 175.803 0.300 . 1 . . . . 54 LEU C . 11113 1 635 . 1 1 54 54 LEU CA C 13 54.445 0.300 . 1 . . . . 54 LEU CA . 11113 1 636 . 1 1 54 54 LEU CB C 13 43.042 0.300 . 1 . . . . 54 LEU CB . 11113 1 637 . 1 1 54 54 LEU CD1 C 13 26.915 0.300 . 2 . . . . 54 LEU CD1 . 11113 1 638 . 1 1 54 54 LEU CD2 C 13 22.258 0.300 . 2 . . . . 54 LEU CD2 . 11113 1 639 . 1 1 54 54 LEU CG C 13 26.904 0.300 . 1 . . . . 54 LEU CG . 11113 1 640 . 1 1 54 54 LEU N N 15 116.974 0.300 . 1 . . . . 54 LEU N . 11113 1 641 . 1 1 55 55 GLU H H 1 7.972 0.030 . 1 . . . . 55 GLU H . 11113 1 642 . 1 1 55 55 GLU HA H 1 3.830 0.030 . 1 . . . . 55 GLU HA . 11113 1 643 . 1 1 55 55 GLU HB2 H 1 2.180 0.030 . 2 . . . . 55 GLU HB2 . 11113 1 644 . 1 1 55 55 GLU HB3 H 1 2.035 0.030 . 2 . . . . 55 GLU HB3 . 11113 1 645 . 1 1 55 55 GLU C C 13 175.307 0.300 . 1 . . . . 55 GLU C . 11113 1 646 . 1 1 55 55 GLU CA C 13 56.970 0.300 . 1 . . . . 55 GLU CA . 11113 1 647 . 1 1 55 55 GLU CB C 13 27.299 0.300 . 1 . . . . 55 GLU CB . 11113 1 648 . 1 1 55 55 GLU CG C 13 36.876 0.300 . 1 . . . . 55 GLU CG . 11113 1 649 . 1 1 55 55 GLU N N 15 116.847 0.300 . 1 . . . . 55 GLU N . 11113 1 650 . 1 1 56 56 VAL H H 1 7.886 0.030 . 1 . . . . 56 VAL H . 11113 1 651 . 1 1 56 56 VAL HA H 1 4.152 0.030 . 1 . . . . 56 VAL HA . 11113 1 652 . 1 1 56 56 VAL HB H 1 1.707 0.030 . 1 . . . . 56 VAL HB . 11113 1 653 . 1 1 56 56 VAL HG11 H 1 0.733 0.030 . 1 . . . . 56 VAL HG1 . 11113 1 654 . 1 1 56 56 VAL HG12 H 1 0.733 0.030 . 1 . . . . 56 VAL HG1 . 11113 1 655 . 1 1 56 56 VAL HG13 H 1 0.733 0.030 . 1 . . . . 56 VAL HG1 . 11113 1 656 . 1 1 56 56 VAL HG21 H 1 0.801 0.030 . 1 . . . . 56 VAL HG2 . 11113 1 657 . 1 1 56 56 VAL HG22 H 1 0.801 0.030 . 1 . . . . 56 VAL HG2 . 11113 1 658 . 1 1 56 56 VAL HG23 H 1 0.801 0.030 . 1 . . . . 56 VAL HG2 . 11113 1 659 . 1 1 56 56 VAL C C 13 173.010 0.300 . 1 . . . . 56 VAL C . 11113 1 660 . 1 1 56 56 VAL CA C 13 59.750 0.300 . 1 . . . . 56 VAL CA . 11113 1 661 . 1 1 56 56 VAL CB C 13 34.938 0.300 . 1 . . . . 56 VAL CB . 11113 1 662 . 1 1 56 56 VAL CG1 C 13 20.750 0.300 . 2 . . . . 56 VAL CG1 . 11113 1 663 . 1 1 56 56 VAL CG2 C 13 21.353 0.300 . 2 . . . . 56 VAL CG2 . 11113 1 664 . 1 1 56 56 VAL N N 15 116.756 0.300 . 1 . . . . 56 VAL N . 11113 1 665 . 1 1 57 57 ASN H H 1 8.185 0.030 . 1 . . . . 57 ASN H . 11113 1 666 . 1 1 57 57 ASN HA H 1 4.281 0.030 . 1 . . . . 57 ASN HA . 11113 1 667 . 1 1 57 57 ASN HB2 H 1 1.246 0.030 . 2 . . . . 57 ASN HB2 . 11113 1 668 . 1 1 57 57 ASN HB3 H 1 1.106 0.030 . 2 . . . . 57 ASN HB3 . 11113 1 669 . 1 1 57 57 ASN HD21 H 1 6.601 0.030 . 2 . . . . 57 ASN HD21 . 11113 1 670 . 1 1 57 57 ASN HD22 H 1 5.131 0.030 . 2 . . . . 57 ASN HD22 . 11113 1 671 . 1 1 57 57 ASN C C 13 173.387 0.300 . 1 . . . . 57 ASN C . 11113 1 672 . 1 1 57 57 ASN CA C 13 52.337 0.300 . 1 . . . . 57 ASN CA . 11113 1 673 . 1 1 57 57 ASN CB C 13 38.406 0.300 . 1 . . . . 57 ASN CB . 11113 1 674 . 1 1 57 57 ASN N N 15 124.546 0.300 . 1 . . . . 57 ASN N . 11113 1 675 . 1 1 57 57 ASN ND2 N 15 113.378 0.300 . 1 . . . . 57 ASN ND2 . 11113 1 676 . 1 1 58 58 ILE H H 1 8.710 0.030 . 1 . . . . 58 ILE H . 11113 1 677 . 1 1 58 58 ILE HA H 1 4.900 0.030 . 1 . . . . 58 ILE HA . 11113 1 678 . 1 1 58 58 ILE HB H 1 1.511 0.030 . 1 . . . . 58 ILE HB . 11113 1 679 . 1 1 58 58 ILE HD11 H 1 -0.240 0.030 . 1 . . . . 58 ILE HD1 . 11113 1 680 . 1 1 58 58 ILE HD12 H 1 -0.240 0.030 . 1 . . . . 58 ILE HD1 . 11113 1 681 . 1 1 58 58 ILE HD13 H 1 -0.240 0.030 . 1 . . . . 58 ILE HD1 . 11113 1 682 . 1 1 58 58 ILE HG12 H 1 0.920 0.030 . 2 . . . . 58 ILE HG12 . 11113 1 683 . 1 1 58 58 ILE HG13 H 1 0.414 0.030 . 2 . . . . 58 ILE HG13 . 11113 1 684 . 1 1 58 58 ILE HG21 H 1 0.272 0.030 . 1 . . . . 58 ILE HG2 . 11113 1 685 . 1 1 58 58 ILE HG22 H 1 0.272 0.030 . 1 . . . . 58 ILE HG2 . 11113 1 686 . 1 1 58 58 ILE HG23 H 1 0.272 0.030 . 1 . . . . 58 ILE HG2 . 11113 1 687 . 1 1 58 58 ILE C C 13 175.338 0.300 . 1 . . . . 58 ILE C . 11113 1 688 . 1 1 58 58 ILE CA C 13 61.309 0.300 . 1 . . . . 58 ILE CA . 11113 1 689 . 1 1 58 58 ILE CB C 13 38.401 0.300 . 1 . . . . 58 ILE CB . 11113 1 690 . 1 1 58 58 ILE CD1 C 13 13.803 0.300 . 1 . . . . 58 ILE CD1 . 11113 1 691 . 1 1 58 58 ILE CG1 C 13 29.016 0.300 . 1 . . . . 58 ILE CG1 . 11113 1 692 . 1 1 58 58 ILE CG2 C 13 18.434 0.300 . 1 . . . . 58 ILE CG2 . 11113 1 693 . 1 1 58 58 ILE N N 15 125.316 0.300 . 1 . . . . 58 ILE N . 11113 1 694 . 1 1 59 59 ALA H H 1 9.420 0.030 . 1 . . . . 59 ALA H . 11113 1 695 . 1 1 59 59 ALA HA H 1 5.995 0.030 . 1 . . . . 59 ALA HA . 11113 1 696 . 1 1 59 59 ALA HB1 H 1 1.617 0.030 . 1 . . . . 59 ALA HB . 11113 1 697 . 1 1 59 59 ALA HB2 H 1 1.617 0.030 . 1 . . . . 59 ALA HB . 11113 1 698 . 1 1 59 59 ALA HB3 H 1 1.617 0.030 . 1 . . . . 59 ALA HB . 11113 1 699 . 1 1 59 59 ALA C C 13 177.058 0.300 . 1 . . . . 59 ALA C . 11113 1 700 . 1 1 59 59 ALA CA C 13 50.946 0.300 . 1 . . . . 59 ALA CA . 11113 1 701 . 1 1 59 59 ALA CB C 13 26.081 0.300 . 1 . . . . 59 ALA CB . 11113 1 702 . 1 1 59 59 ALA N N 15 129.212 0.300 . 1 . . . . 59 ALA N . 11113 1 703 . 1 1 60 60 LYS H H 1 9.062 0.030 . 1 . . . . 60 LYS H . 11113 1 704 . 1 1 60 60 LYS HA H 1 5.345 0.030 . 1 . . . . 60 LYS HA . 11113 1 705 . 1 1 60 60 LYS HB2 H 1 1.871 0.030 . 2 . . . . 60 LYS HB2 . 11113 1 706 . 1 1 60 60 LYS HB3 H 1 1.614 0.030 . 2 . . . . 60 LYS HB3 . 11113 1 707 . 1 1 60 60 LYS HD2 H 1 1.381 0.030 . 2 . . . . 60 LYS HD2 . 11113 1 708 . 1 1 60 60 LYS HD3 H 1 1.315 0.030 . 2 . . . . 60 LYS HD3 . 11113 1 709 . 1 1 60 60 LYS HE2 H 1 2.990 0.030 . 2 . . . . 60 LYS HE2 . 11113 1 710 . 1 1 60 60 LYS HE3 H 1 2.731 0.030 . 2 . . . . 60 LYS HE3 . 11113 1 711 . 1 1 60 60 LYS HG2 H 1 1.346 0.030 . 2 . . . . 60 LYS HG2 . 11113 1 712 . 1 1 60 60 LYS HG3 H 1 1.589 0.030 . 2 . . . . 60 LYS HG3 . 11113 1 713 . 1 1 60 60 LYS C C 13 172.332 0.300 . 1 . . . . 60 LYS C . 11113 1 714 . 1 1 60 60 LYS CA C 13 54.756 0.300 . 1 . . . . 60 LYS CA . 11113 1 715 . 1 1 60 60 LYS CB C 13 37.453 0.300 . 1 . . . . 60 LYS CB . 11113 1 716 . 1 1 60 60 LYS CD C 13 29.896 0.300 . 1 . . . . 60 LYS CD . 11113 1 717 . 1 1 60 60 LYS CE C 13 42.423 0.300 . 1 . . . . 60 LYS CE . 11113 1 718 . 1 1 60 60 LYS CG C 13 23.075 0.300 . 1 . . . . 60 LYS CG . 11113 1 719 . 1 1 60 60 LYS N N 15 118.942 0.300 . 1 . . . . 60 LYS N . 11113 1 720 . 1 1 61 61 VAL H H 1 8.556 0.030 . 1 . . . . 61 VAL H . 11113 1 721 . 1 1 61 61 VAL HA H 1 4.189 0.030 . 1 . . . . 61 VAL HA . 11113 1 722 . 1 1 61 61 VAL HB H 1 1.099 0.030 . 1 . . . . 61 VAL HB . 11113 1 723 . 1 1 61 61 VAL HG11 H 1 0.524 0.030 . 1 . . . . 61 VAL HG1 . 11113 1 724 . 1 1 61 61 VAL HG12 H 1 0.524 0.030 . 1 . . . . 61 VAL HG1 . 11113 1 725 . 1 1 61 61 VAL HG13 H 1 0.524 0.030 . 1 . . . . 61 VAL HG1 . 11113 1 726 . 1 1 61 61 VAL HG21 H 1 0.179 0.030 . 1 . . . . 61 VAL HG2 . 11113 1 727 . 1 1 61 61 VAL HG22 H 1 0.179 0.030 . 1 . . . . 61 VAL HG2 . 11113 1 728 . 1 1 61 61 VAL HG23 H 1 0.179 0.030 . 1 . . . . 61 VAL HG2 . 11113 1 729 . 1 1 61 61 VAL C C 13 173.334 0.300 . 1 . . . . 61 VAL C . 11113 1 730 . 1 1 61 61 VAL CA C 13 60.603 0.300 . 1 . . . . 61 VAL CA . 11113 1 731 . 1 1 61 61 VAL CB C 13 35.563 0.300 . 1 . . . . 61 VAL CB . 11113 1 732 . 1 1 61 61 VAL CG1 C 13 21.175 0.300 . 2 . . . . 61 VAL CG1 . 11113 1 733 . 1 1 61 61 VAL CG2 C 13 20.868 0.300 . 2 . . . . 61 VAL CG2 . 11113 1 734 . 1 1 61 61 VAL N N 15 118.965 0.300 . 1 . . . . 61 VAL N . 11113 1 735 . 1 1 62 62 ASP H H 1 8.465 0.030 . 1 . . . . 62 ASP H . 11113 1 736 . 1 1 62 62 ASP HA H 1 3.799 0.030 . 1 . . . . 62 ASP HA . 11113 1 737 . 1 1 62 62 ASP HB2 H 1 2.709 0.030 . 2 . . . . 62 ASP HB2 . 11113 1 738 . 1 1 62 62 ASP HB3 H 1 2.262 0.030 . 2 . . . . 62 ASP HB3 . 11113 1 739 . 1 1 62 62 ASP C C 13 177.948 0.300 . 1 . . . . 62 ASP C . 11113 1 740 . 1 1 62 62 ASP CA C 13 51.309 0.300 . 1 . . . . 62 ASP CA . 11113 1 741 . 1 1 62 62 ASP CB C 13 39.491 0.300 . 1 . . . . 62 ASP CB . 11113 1 742 . 1 1 62 62 ASP N N 15 126.881 0.300 . 1 . . . . 62 ASP N . 11113 1 743 . 1 1 63 63 VAL H H 1 8.494 0.030 . 1 . . . . 63 VAL H . 11113 1 744 . 1 1 63 63 VAL HA H 1 3.783 0.030 . 1 . . . . 63 VAL HA . 11113 1 745 . 1 1 63 63 VAL HB H 1 2.324 0.030 . 1 . . . . 63 VAL HB . 11113 1 746 . 1 1 63 63 VAL HG11 H 1 1.064 0.030 . 1 . . . . 63 VAL HG1 . 11113 1 747 . 1 1 63 63 VAL HG12 H 1 1.064 0.030 . 1 . . . . 63 VAL HG1 . 11113 1 748 . 1 1 63 63 VAL HG13 H 1 1.064 0.030 . 1 . . . . 63 VAL HG1 . 11113 1 749 . 1 1 63 63 VAL HG21 H 1 0.748 0.030 . 1 . . . . 63 VAL HG2 . 11113 1 750 . 1 1 63 63 VAL HG22 H 1 0.748 0.030 . 1 . . . . 63 VAL HG2 . 11113 1 751 . 1 1 63 63 VAL HG23 H 1 0.748 0.030 . 1 . . . . 63 VAL HG2 . 11113 1 752 . 1 1 63 63 VAL C C 13 176.876 0.300 . 1 . . . . 63 VAL C . 11113 1 753 . 1 1 63 63 VAL CA C 13 63.957 0.300 . 1 . . . . 63 VAL CA . 11113 1 754 . 1 1 63 63 VAL CB C 13 30.845 0.300 . 1 . . . . 63 VAL CB . 11113 1 755 . 1 1 63 63 VAL CG1 C 13 22.718 0.300 . 2 . . . . 63 VAL CG1 . 11113 1 756 . 1 1 63 63 VAL CG2 C 13 18.404 0.300 . 2 . . . . 63 VAL CG2 . 11113 1 757 . 1 1 63 63 VAL N N 15 120.156 0.300 . 1 . . . . 63 VAL N . 11113 1 758 . 1 1 64 64 THR H H 1 8.753 0.030 . 1 . . . . 64 THR H . 11113 1 759 . 1 1 64 64 THR HA H 1 4.266 0.030 . 1 . . . . 64 THR HA . 11113 1 760 . 1 1 64 64 THR HB H 1 4.334 0.030 . 1 . . . . 64 THR HB . 11113 1 761 . 1 1 64 64 THR HG21 H 1 1.367 0.030 . 1 . . . . 64 THR HG2 . 11113 1 762 . 1 1 64 64 THR HG22 H 1 1.367 0.030 . 1 . . . . 64 THR HG2 . 11113 1 763 . 1 1 64 64 THR HG23 H 1 1.367 0.030 . 1 . . . . 64 THR HG2 . 11113 1 764 . 1 1 64 64 THR C C 13 175.884 0.300 . 1 . . . . 64 THR C . 11113 1 765 . 1 1 64 64 THR CA C 13 63.410 0.300 . 1 . . . . 64 THR CA . 11113 1 766 . 1 1 64 64 THR CB C 13 68.388 0.300 . 1 . . . . 64 THR CB . 11113 1 767 . 1 1 64 64 THR CG2 C 13 23.453 0.300 . 1 . . . . 64 THR CG2 . 11113 1 768 . 1 1 64 64 THR N N 15 112.339 0.300 . 1 . . . . 64 THR N . 11113 1 769 . 1 1 65 65 GLU H H 1 7.032 0.030 . 1 . . . . 65 GLU H . 11113 1 770 . 1 1 65 65 GLU HA H 1 4.460 0.030 . 1 . . . . 65 GLU HA . 11113 1 771 . 1 1 65 65 GLU HB2 H 1 2.254 0.030 . 2 . . . . 65 GLU HB2 . 11113 1 772 . 1 1 65 65 GLU HB3 H 1 1.798 0.030 . 2 . . . . 65 GLU HB3 . 11113 1 773 . 1 1 65 65 GLU HG2 H 1 2.314 0.030 . 2 . . . . 65 GLU HG2 . 11113 1 774 . 1 1 65 65 GLU C C 13 175.591 0.300 . 1 . . . . 65 GLU C . 11113 1 775 . 1 1 65 65 GLU CA C 13 55.970 0.300 . 1 . . . . 65 GLU CA . 11113 1 776 . 1 1 65 65 GLU CB C 13 32.517 0.300 . 1 . . . . 65 GLU CB . 11113 1 777 . 1 1 65 65 GLU CG C 13 36.430 0.300 . 1 . . . . 65 GLU CG . 11113 1 778 . 1 1 65 65 GLU N N 15 120.434 0.300 . 1 . . . . 65 GLU N . 11113 1 779 . 1 1 66 66 GLN H H 1 7.255 0.030 . 1 . . . . 66 GLN H . 11113 1 780 . 1 1 66 66 GLN HA H 1 5.085 0.030 . 1 . . . . 66 GLN HA . 11113 1 781 . 1 1 66 66 GLN HB2 H 1 2.234 0.030 . 2 . . . . 66 GLN HB2 . 11113 1 782 . 1 1 66 66 GLN HB3 H 1 1.741 0.030 . 2 . . . . 66 GLN HB3 . 11113 1 783 . 1 1 66 66 GLN HE21 H 1 7.902 0.030 . 2 . . . . 66 GLN HE21 . 11113 1 784 . 1 1 66 66 GLN HE22 H 1 7.266 0.030 . 2 . . . . 66 GLN HE22 . 11113 1 785 . 1 1 66 66 GLN HG2 H 1 2.609 0.030 . 1 . . . . 66 GLN HG2 . 11113 1 786 . 1 1 66 66 GLN HG3 H 1 2.609 0.030 . 1 . . . . 66 GLN HG3 . 11113 1 787 . 1 1 66 66 GLN C C 13 172.993 0.300 . 1 . . . . 66 GLN C . 11113 1 788 . 1 1 66 66 GLN CA C 13 51.287 0.300 . 1 . . . . 66 GLN CA . 11113 1 789 . 1 1 66 66 GLN CB C 13 26.355 0.300 . 1 . . . . 66 GLN CB . 11113 1 790 . 1 1 66 66 GLN CG C 13 32.213 0.300 . 1 . . . . 66 GLN CG . 11113 1 791 . 1 1 66 66 GLN N N 15 114.577 0.300 . 1 . . . . 66 GLN N . 11113 1 792 . 1 1 66 66 GLN NE2 N 15 115.477 0.300 . 1 . . . . 66 GLN NE2 . 11113 1 793 . 1 1 67 67 PRO HA H 1 4.359 0.030 . 1 . . . . 67 PRO HA . 11113 1 794 . 1 1 67 67 PRO HB2 H 1 2.285 0.030 . 2 . . . . 67 PRO HB2 . 11113 1 795 . 1 1 67 67 PRO HB3 H 1 1.959 0.030 . 2 . . . . 67 PRO HB3 . 11113 1 796 . 1 1 67 67 PRO HD2 H 1 3.157 0.030 . 2 . . . . 67 PRO HD2 . 11113 1 797 . 1 1 67 67 PRO HD3 H 1 3.830 0.030 . 2 . . . . 67 PRO HD3 . 11113 1 798 . 1 1 67 67 PRO HG2 H 1 2.000 0.030 . 2 . . . . 67 PRO HG2 . 11113 1 799 . 1 1 67 67 PRO C C 13 180.138 0.300 . 1 . . . . 67 PRO C . 11113 1 800 . 1 1 67 67 PRO CA C 13 64.612 0.300 . 1 . . . . 67 PRO CA . 11113 1 801 . 1 1 67 67 PRO CB C 13 31.512 0.300 . 1 . . . . 67 PRO CB . 11113 1 802 . 1 1 67 67 PRO CD C 13 50.747 0.300 . 1 . . . . 67 PRO CD . 11113 1 803 . 1 1 67 67 PRO CG C 13 27.111 0.300 . 1 . . . . 67 PRO CG . 11113 1 804 . 1 1 68 68 GLY H H 1 9.575 0.030 . 1 . . . . 68 GLY H . 11113 1 805 . 1 1 68 68 GLY HA2 H 1 3.646 0.030 . 1 . . . . 68 GLY HA2 . 11113 1 806 . 1 1 68 68 GLY HA3 H 1 3.646 0.030 . 1 . . . . 68 GLY HA3 . 11113 1 807 . 1 1 68 68 GLY C C 13 177.120 0.300 . 1 . . . . 68 GLY C . 11113 1 808 . 1 1 68 68 GLY CA C 13 46.776 0.300 . 1 . . . . 68 GLY CA . 11113 1 809 . 1 1 68 68 GLY N N 15 114.015 0.300 . 1 . . . . 68 GLY N . 11113 1 810 . 1 1 69 69 LEU H H 1 8.905 0.030 . 1 . . . . 69 LEU H . 11113 1 811 . 1 1 69 69 LEU HA H 1 3.786 0.030 . 1 . . . . 69 LEU HA . 11113 1 812 . 1 1 69 69 LEU HB2 H 1 1.729 0.030 . 2 . . . . 69 LEU HB2 . 11113 1 813 . 1 1 69 69 LEU HB3 H 1 1.373 0.030 . 2 . . . . 69 LEU HB3 . 11113 1 814 . 1 1 69 69 LEU HD11 H 1 0.725 0.030 . 1 . . . . 69 LEU HD1 . 11113 1 815 . 1 1 69 69 LEU HD12 H 1 0.725 0.030 . 1 . . . . 69 LEU HD1 . 11113 1 816 . 1 1 69 69 LEU HD13 H 1 0.725 0.030 . 1 . . . . 69 LEU HD1 . 11113 1 817 . 1 1 69 69 LEU HD21 H 1 0.653 0.030 . 1 . . . . 69 LEU HD2 . 11113 1 818 . 1 1 69 69 LEU HD22 H 1 0.653 0.030 . 1 . . . . 69 LEU HD2 . 11113 1 819 . 1 1 69 69 LEU HD23 H 1 0.653 0.030 . 1 . . . . 69 LEU HD2 . 11113 1 820 . 1 1 69 69 LEU HG H 1 1.750 0.030 . 1 . . . . 69 LEU HG . 11113 1 821 . 1 1 69 69 LEU C C 13 178.860 0.300 . 1 . . . . 69 LEU C . 11113 1 822 . 1 1 69 69 LEU CA C 13 57.543 0.300 . 1 . . . . 69 LEU CA . 11113 1 823 . 1 1 69 69 LEU CB C 13 42.743 0.300 . 1 . . . . 69 LEU CB . 11113 1 824 . 1 1 69 69 LEU CD1 C 13 25.677 0.300 . 2 . . . . 69 LEU CD1 . 11113 1 825 . 1 1 69 69 LEU CD2 C 13 24.823 0.300 . 2 . . . . 69 LEU CD2 . 11113 1 826 . 1 1 69 69 LEU CG C 13 27.231 0.300 . 1 . . . . 69 LEU CG . 11113 1 827 . 1 1 69 69 LEU N N 15 125.181 0.300 . 1 . . . . 69 LEU N . 11113 1 828 . 1 1 70 70 SER H H 1 7.780 0.030 . 1 . . . . 70 SER H . 11113 1 829 . 1 1 70 70 SER HA H 1 3.903 0.030 . 1 . . . . 70 SER HA . 11113 1 830 . 1 1 70 70 SER HB2 H 1 3.797 0.030 . 1 . . . . 70 SER HB2 . 11113 1 831 . 1 1 70 70 SER HB3 H 1 3.797 0.030 . 1 . . . . 70 SER HB3 . 11113 1 832 . 1 1 70 70 SER C C 13 176.016 0.300 . 1 . . . . 70 SER C . 11113 1 833 . 1 1 70 70 SER CA C 13 62.025 0.300 . 1 . . . . 70 SER CA . 11113 1 834 . 1 1 70 70 SER CB C 13 62.855 0.300 . 1 . . . . 70 SER CB . 11113 1 835 . 1 1 70 70 SER N N 15 112.357 0.300 . 1 . . . . 70 SER N . 11113 1 836 . 1 1 71 71 GLY H H 1 7.670 0.030 . 1 . . . . 71 GLY H . 11113 1 837 . 1 1 71 71 GLY C C 13 175.926 0.300 . 1 . . . . 71 GLY C . 11113 1 838 . 1 1 71 71 GLY CA C 13 45.879 0.300 . 1 . . . . 71 GLY CA . 11113 1 839 . 1 1 71 71 GLY N N 15 104.967 0.300 . 1 . . . . 71 GLY N . 11113 1 840 . 1 1 72 72 ARG H H 1 7.706 0.030 . 1 . . . . 72 ARG H . 11113 1 841 . 1 1 72 72 ARG HA H 1 3.725 0.030 . 1 . . . . 72 ARG HA . 11113 1 842 . 1 1 72 72 ARG HB2 H 1 1.347 0.030 . 2 . . . . 72 ARG HB2 . 11113 1 843 . 1 1 72 72 ARG HB3 H 1 1.069 0.030 . 2 . . . . 72 ARG HB3 . 11113 1 844 . 1 1 72 72 ARG HD2 H 1 1.907 0.030 . 2 . . . . 72 ARG HD2 . 11113 1 845 . 1 1 72 72 ARG HD3 H 1 1.710 0.030 . 2 . . . . 72 ARG HD3 . 11113 1 846 . 1 1 72 72 ARG HG2 H 1 0.654 0.030 . 2 . . . . 72 ARG HG2 . 11113 1 847 . 1 1 72 72 ARG HG3 H 1 1.049 0.030 . 2 . . . . 72 ARG HG3 . 11113 1 848 . 1 1 72 72 ARG C C 13 176.046 0.300 . 1 . . . . 72 ARG C . 11113 1 849 . 1 1 72 72 ARG CA C 13 57.877 0.300 . 1 . . . . 72 ARG CA . 11113 1 850 . 1 1 72 72 ARG CB C 13 30.113 0.300 . 1 . . . . 72 ARG CB . 11113 1 851 . 1 1 72 72 ARG CD C 13 42.400 0.300 . 1 . . . . 72 ARG CD . 11113 1 852 . 1 1 72 72 ARG CG C 13 27.059 0.300 . 1 . . . . 72 ARG CG . 11113 1 853 . 1 1 72 72 ARG N N 15 121.163 0.300 . 1 . . . . 72 ARG N . 11113 1 854 . 1 1 73 73 PHE H H 1 7.317 0.030 . 1 . . . . 73 PHE H . 11113 1 855 . 1 1 73 73 PHE HA H 1 3.965 0.030 . 1 . . . . 73 PHE HA . 11113 1 856 . 1 1 73 73 PHE HB2 H 1 2.363 0.030 . 2 . . . . 73 PHE HB2 . 11113 1 857 . 1 1 73 73 PHE HB3 H 1 2.011 0.030 . 2 . . . . 73 PHE HB3 . 11113 1 858 . 1 1 73 73 PHE HD1 H 1 6.336 0.030 . 1 . . . . 73 PHE HD1 . 11113 1 859 . 1 1 73 73 PHE HD2 H 1 6.336 0.030 . 1 . . . . 73 PHE HD2 . 11113 1 860 . 1 1 73 73 PHE HE1 H 1 6.085 0.030 . 1 . . . . 73 PHE HE1 . 11113 1 861 . 1 1 73 73 PHE HE2 H 1 6.085 0.030 . 1 . . . . 73 PHE HE2 . 11113 1 862 . 1 1 73 73 PHE HZ H 1 6.087 0.030 . 1 . . . . 73 PHE HZ . 11113 1 863 . 1 1 73 73 PHE C C 13 173.660 0.300 . 1 . . . . 73 PHE C . 11113 1 864 . 1 1 73 73 PHE CA C 13 57.651 0.300 . 1 . . . . 73 PHE CA . 11113 1 865 . 1 1 73 73 PHE CB C 13 39.403 0.300 . 1 . . . . 73 PHE CB . 11113 1 866 . 1 1 73 73 PHE CD1 C 13 131.236 0.300 . 1 . . . . 73 PHE CD1 . 11113 1 867 . 1 1 73 73 PHE CD2 C 13 131.236 0.300 . 1 . . . . 73 PHE CD2 . 11113 1 868 . 1 1 73 73 PHE CE1 C 13 129.582 0.300 . 1 . . . . 73 PHE CE1 . 11113 1 869 . 1 1 73 73 PHE CE2 C 13 129.582 0.300 . 1 . . . . 73 PHE CE2 . 11113 1 870 . 1 1 73 73 PHE CZ C 13 128.503 0.300 . 1 . . . . 73 PHE CZ . 11113 1 871 . 1 1 73 73 PHE N N 15 114.373 0.300 . 1 . . . . 73 PHE N . 11113 1 872 . 1 1 74 74 ILE H H 1 7.536 0.030 . 1 . . . . 74 ILE H . 11113 1 873 . 1 1 74 74 ILE HA H 1 3.607 0.030 . 1 . . . . 74 ILE HA . 11113 1 874 . 1 1 74 74 ILE HB H 1 2.045 0.030 . 1 . . . . 74 ILE HB . 11113 1 875 . 1 1 74 74 ILE HD11 H 1 0.796 0.030 . 1 . . . . 74 ILE HD1 . 11113 1 876 . 1 1 74 74 ILE HD12 H 1 0.796 0.030 . 1 . . . . 74 ILE HD1 . 11113 1 877 . 1 1 74 74 ILE HD13 H 1 0.796 0.030 . 1 . . . . 74 ILE HD1 . 11113 1 878 . 1 1 74 74 ILE HG12 H 1 1.393 0.030 . 2 . . . . 74 ILE HG12 . 11113 1 879 . 1 1 74 74 ILE HG13 H 1 0.966 0.030 . 2 . . . . 74 ILE HG13 . 11113 1 880 . 1 1 74 74 ILE HG21 H 1 0.879 0.030 . 1 . . . . 74 ILE HG2 . 11113 1 881 . 1 1 74 74 ILE HG22 H 1 0.879 0.030 . 1 . . . . 74 ILE HG2 . 11113 1 882 . 1 1 74 74 ILE HG23 H 1 0.879 0.030 . 1 . . . . 74 ILE HG2 . 11113 1 883 . 1 1 74 74 ILE C C 13 175.419 0.300 . 1 . . . . 74 ILE C . 11113 1 884 . 1 1 74 74 ILE CA C 13 61.517 0.300 . 1 . . . . 74 ILE CA . 11113 1 885 . 1 1 74 74 ILE CB C 13 35.750 0.300 . 1 . . . . 74 ILE CB . 11113 1 886 . 1 1 74 74 ILE CD1 C 13 12.949 0.300 . 1 . . . . 74 ILE CD1 . 11113 1 887 . 1 1 74 74 ILE CG1 C 13 27.276 0.300 . 1 . . . . 74 ILE CG1 . 11113 1 888 . 1 1 74 74 ILE CG2 C 13 18.678 0.300 . 1 . . . . 74 ILE CG2 . 11113 1 889 . 1 1 74 74 ILE N N 15 119.079 0.300 . 1 . . . . 74 ILE N . 11113 1 890 . 1 1 75 75 ILE H H 1 8.062 0.030 . 1 . . . . 75 ILE H . 11113 1 891 . 1 1 75 75 ILE HA H 1 4.054 0.030 . 1 . . . . 75 ILE HA . 11113 1 892 . 1 1 75 75 ILE HB H 1 1.967 0.030 . 1 . . . . 75 ILE HB . 11113 1 893 . 1 1 75 75 ILE HD11 H 1 0.019 0.030 . 1 . . . . 75 ILE HD1 . 11113 1 894 . 1 1 75 75 ILE HD12 H 1 0.019 0.030 . 1 . . . . 75 ILE HD1 . 11113 1 895 . 1 1 75 75 ILE HD13 H 1 0.019 0.030 . 1 . . . . 75 ILE HD1 . 11113 1 896 . 1 1 75 75 ILE HG12 H 1 1.124 0.030 . 2 . . . . 75 ILE HG12 . 11113 1 897 . 1 1 75 75 ILE HG13 H 1 0.883 0.030 . 2 . . . . 75 ILE HG13 . 11113 1 898 . 1 1 75 75 ILE HG21 H 1 0.719 0.030 . 1 . . . . 75 ILE HG2 . 11113 1 899 . 1 1 75 75 ILE HG22 H 1 0.719 0.030 . 1 . . . . 75 ILE HG2 . 11113 1 900 . 1 1 75 75 ILE HG23 H 1 0.719 0.030 . 1 . . . . 75 ILE HG2 . 11113 1 901 . 1 1 75 75 ILE CA C 13 59.490 0.300 . 1 . . . . 75 ILE CA . 11113 1 902 . 1 1 75 75 ILE CB C 13 35.710 0.300 . 1 . . . . 75 ILE CB . 11113 1 903 . 1 1 75 75 ILE CD1 C 13 9.907 0.300 . 1 . . . . 75 ILE CD1 . 11113 1 904 . 1 1 75 75 ILE CG1 C 13 27.062 0.300 . 1 . . . . 75 ILE CG1 . 11113 1 905 . 1 1 75 75 ILE CG2 C 13 17.983 0.300 . 1 . . . . 75 ILE CG2 . 11113 1 906 . 1 1 75 75 ILE N N 15 124.148 0.300 . 1 . . . . 75 ILE N . 11113 1 907 . 1 1 76 76 ASN H H 1 8.667 0.030 . 1 . . . . 76 ASN H . 11113 1 908 . 1 1 76 76 ASN HA H 1 4.801 0.030 . 1 . . . . 76 ASN HA . 11113 1 909 . 1 1 76 76 ASN HB2 H 1 2.733 0.030 . 2 . . . . 76 ASN HB2 . 11113 1 910 . 1 1 76 76 ASN HD21 H 1 6.844 0.030 . 2 . . . . 76 ASN HD21 . 11113 1 911 . 1 1 76 76 ASN HD22 H 1 7.663 0.030 . 2 . . . . 76 ASN HD22 . 11113 1 912 . 1 1 76 76 ASN C C 13 173.899 0.300 . 1 . . . . 76 ASN C . 11113 1 913 . 1 1 76 76 ASN CA C 13 52.767 0.300 . 1 . . . . 76 ASN CA . 11113 1 914 . 1 1 76 76 ASN CB C 13 39.375 0.300 . 1 . . . . 76 ASN CB . 11113 1 915 . 1 1 76 76 ASN ND2 N 15 112.207 0.300 . 1 . . . . 76 ASN ND2 . 11113 1 916 . 1 1 77 77 ALA H H 1 7.587 0.030 . 1 . . . . 77 ALA H . 11113 1 917 . 1 1 77 77 ALA HA H 1 4.459 0.030 . 1 . . . . 77 ALA HA . 11113 1 918 . 1 1 77 77 ALA HB1 H 1 1.288 0.030 . 1 . . . . 77 ALA HB . 11113 1 919 . 1 1 77 77 ALA HB2 H 1 1.288 0.030 . 1 . . . . 77 ALA HB . 11113 1 920 . 1 1 77 77 ALA HB3 H 1 1.288 0.030 . 1 . . . . 77 ALA HB . 11113 1 921 . 1 1 77 77 ALA C C 13 175.227 0.300 . 1 . . . . 77 ALA C . 11113 1 922 . 1 1 77 77 ALA CA C 13 51.630 0.300 . 1 . . . . 77 ALA CA . 11113 1 923 . 1 1 77 77 ALA CB C 13 21.344 0.300 . 1 . . . . 77 ALA CB . 11113 1 924 . 1 1 77 77 ALA N N 15 121.263 0.300 . 1 . . . . 77 ALA N . 11113 1 925 . 1 1 78 78 LEU H H 1 8.517 0.030 . 1 . . . . 78 LEU H . 11113 1 926 . 1 1 78 78 LEU HA H 1 4.657 0.030 . 1 . . . . 78 LEU HA . 11113 1 927 . 1 1 78 78 LEU HB2 H 1 1.847 0.030 . 2 . . . . 78 LEU HB2 . 11113 1 928 . 1 1 78 78 LEU HB3 H 1 0.958 0.030 . 2 . . . . 78 LEU HB3 . 11113 1 929 . 1 1 78 78 LEU HD11 H 1 0.666 0.030 . 1 . . . . 78 LEU HD1 . 11113 1 930 . 1 1 78 78 LEU HD12 H 1 0.666 0.030 . 1 . . . . 78 LEU HD1 . 11113 1 931 . 1 1 78 78 LEU HD13 H 1 0.666 0.030 . 1 . . . . 78 LEU HD1 . 11113 1 932 . 1 1 78 78 LEU HD21 H 1 0.629 0.030 . 1 . . . . 78 LEU HD2 . 11113 1 933 . 1 1 78 78 LEU HD22 H 1 0.629 0.030 . 1 . . . . 78 LEU HD2 . 11113 1 934 . 1 1 78 78 LEU HD23 H 1 0.629 0.030 . 1 . . . . 78 LEU HD2 . 11113 1 935 . 1 1 78 78 LEU HG H 1 1.407 0.030 . 1 . . . . 78 LEU HG . 11113 1 936 . 1 1 78 78 LEU C C 13 174.529 0.300 . 1 . . . . 78 LEU C . 11113 1 937 . 1 1 78 78 LEU CA C 13 51.169 0.300 . 1 . . . . 78 LEU CA . 11113 1 938 . 1 1 78 78 LEU CB C 13 45.043 0.300 . 1 . . . . 78 LEU CB . 11113 1 939 . 1 1 78 78 LEU CD1 C 13 26.708 0.300 . 2 . . . . 78 LEU CD1 . 11113 1 940 . 1 1 78 78 LEU CD2 C 13 23.707 0.300 . 2 . . . . 78 LEU CD2 . 11113 1 941 . 1 1 78 78 LEU CG C 13 26.438 0.300 . 1 . . . . 78 LEU CG . 11113 1 942 . 1 1 78 78 LEU N N 15 120.282 0.300 . 1 . . . . 78 LEU N . 11113 1 943 . 1 1 79 79 PRO HA H 1 5.011 0.030 . 1 . . . . 79 PRO HA . 11113 1 944 . 1 1 79 79 PRO HB2 H 1 2.677 0.030 . 2 . . . . 79 PRO HB2 . 11113 1 945 . 1 1 79 79 PRO HB3 H 1 1.650 0.030 . 2 . . . . 79 PRO HB3 . 11113 1 946 . 1 1 79 79 PRO HD2 H 1 3.666 0.030 . 2 . . . . 79 PRO HD2 . 11113 1 947 . 1 1 79 79 PRO HD3 H 1 3.274 0.030 . 2 . . . . 79 PRO HD3 . 11113 1 948 . 1 1 79 79 PRO HG2 H 1 1.832 0.030 . 2 . . . . 79 PRO HG2 . 11113 1 949 . 1 1 79 79 PRO HG3 H 1 1.772 0.030 . 2 . . . . 79 PRO HG3 . 11113 1 950 . 1 1 79 79 PRO C C 13 176.938 0.300 . 1 . . . . 79 PRO C . 11113 1 951 . 1 1 79 79 PRO CA C 13 63.025 0.300 . 1 . . . . 79 PRO CA . 11113 1 952 . 1 1 79 79 PRO CB C 13 34.838 0.300 . 1 . . . . 79 PRO CB . 11113 1 953 . 1 1 79 79 PRO CD C 13 49.603 0.300 . 1 . . . . 79 PRO CD . 11113 1 954 . 1 1 79 79 PRO CG C 13 24.950 0.300 . 1 . . . . 79 PRO CG . 11113 1 955 . 1 1 80 80 THR H H 1 8.328 0.030 . 1 . . . . 80 THR H . 11113 1 956 . 1 1 80 80 THR HA H 1 4.510 0.030 . 1 . . . . 80 THR HA . 11113 1 957 . 1 1 80 80 THR HB H 1 3.872 0.030 . 1 . . . . 80 THR HB . 11113 1 958 . 1 1 80 80 THR HG21 H 1 1.099 0.030 . 1 . . . . 80 THR HG2 . 11113 1 959 . 1 1 80 80 THR HG22 H 1 1.099 0.030 . 1 . . . . 80 THR HG2 . 11113 1 960 . 1 1 80 80 THR HG23 H 1 1.099 0.030 . 1 . . . . 80 THR HG2 . 11113 1 961 . 1 1 80 80 THR C C 13 171.694 0.300 . 1 . . . . 80 THR C . 11113 1 962 . 1 1 80 80 THR CA C 13 63.372 0.300 . 1 . . . . 80 THR CA . 11113 1 963 . 1 1 80 80 THR CB C 13 72.809 0.300 . 1 . . . . 80 THR CB . 11113 1 964 . 1 1 80 80 THR CG2 C 13 22.512 0.300 . 1 . . . . 80 THR CG2 . 11113 1 965 . 1 1 80 80 THR N N 15 115.234 0.300 . 1 . . . . 80 THR N . 11113 1 966 . 1 1 81 81 ILE H H 1 9.330 0.030 . 1 . . . . 81 ILE H . 11113 1 967 . 1 1 81 81 ILE HA H 1 5.266 0.030 . 1 . . . . 81 ILE HA . 11113 1 968 . 1 1 81 81 ILE HB H 1 1.832 0.030 . 1 . . . . 81 ILE HB . 11113 1 969 . 1 1 81 81 ILE HD11 H 1 0.725 0.030 . 1 . . . . 81 ILE HD1 . 11113 1 970 . 1 1 81 81 ILE HD12 H 1 0.725 0.030 . 1 . . . . 81 ILE HD1 . 11113 1 971 . 1 1 81 81 ILE HD13 H 1 0.725 0.030 . 1 . . . . 81 ILE HD1 . 11113 1 972 . 1 1 81 81 ILE HG12 H 1 1.266 0.030 . 2 . . . . 81 ILE HG12 . 11113 1 973 . 1 1 81 81 ILE HG13 H 1 0.619 0.030 . 2 . . . . 81 ILE HG13 . 11113 1 974 . 1 1 81 81 ILE HG21 H 1 0.742 0.030 . 1 . . . . 81 ILE HG2 . 11113 1 975 . 1 1 81 81 ILE HG22 H 1 0.742 0.030 . 1 . . . . 81 ILE HG2 . 11113 1 976 . 1 1 81 81 ILE HG23 H 1 0.742 0.030 . 1 . . . . 81 ILE HG2 . 11113 1 977 . 1 1 81 81 ILE C C 13 174.346 0.300 . 1 . . . . 81 ILE C . 11113 1 978 . 1 1 81 81 ILE CA C 13 59.496 0.300 . 1 . . . . 81 ILE CA . 11113 1 979 . 1 1 81 81 ILE CB C 13 40.980 0.300 . 1 . . . . 81 ILE CB . 11113 1 980 . 1 1 81 81 ILE CD1 C 13 14.613 0.300 . 1 . . . . 81 ILE CD1 . 11113 1 981 . 1 1 81 81 ILE CG1 C 13 27.843 0.300 . 1 . . . . 81 ILE CG1 . 11113 1 982 . 1 1 81 81 ILE CG2 C 13 17.664 0.300 . 1 . . . . 81 ILE CG2 . 11113 1 983 . 1 1 81 81 ILE N N 15 129.115 0.300 . 1 . . . . 81 ILE N . 11113 1 984 . 1 1 82 82 TYR H H 1 9.287 0.030 . 1 . . . . 82 TYR H . 11113 1 985 . 1 1 82 82 TYR HA H 1 5.366 0.030 . 1 . . . . 82 TYR HA . 11113 1 986 . 1 1 82 82 TYR HB2 H 1 3.097 0.030 . 2 . . . . 82 TYR HB2 . 11113 1 987 . 1 1 82 82 TYR HB3 H 1 2.630 0.030 . 2 . . . . 82 TYR HB3 . 11113 1 988 . 1 1 82 82 TYR HD1 H 1 6.949 0.030 . 1 . . . . 82 TYR HD1 . 11113 1 989 . 1 1 82 82 TYR HD2 H 1 6.949 0.030 . 1 . . . . 82 TYR HD2 . 11113 1 990 . 1 1 82 82 TYR HE1 H 1 6.581 0.030 . 1 . . . . 82 TYR HE1 . 11113 1 991 . 1 1 82 82 TYR HE2 H 1 6.581 0.030 . 1 . . . . 82 TYR HE2 . 11113 1 992 . 1 1 82 82 TYR C C 13 174.113 0.300 . 1 . . . . 82 TYR C . 11113 1 993 . 1 1 82 82 TYR CA C 13 57.706 0.300 . 1 . . . . 82 TYR CA . 11113 1 994 . 1 1 82 82 TYR CB C 13 43.635 0.300 . 1 . . . . 82 TYR CB . 11113 1 995 . 1 1 82 82 TYR CD1 C 13 132.385 0.300 . 1 . . . . 82 TYR CD1 . 11113 1 996 . 1 1 82 82 TYR CD2 C 13 132.385 0.300 . 1 . . . . 82 TYR CD2 . 11113 1 997 . 1 1 82 82 TYR CE1 C 13 118.129 0.300 . 1 . . . . 82 TYR CE1 . 11113 1 998 . 1 1 82 82 TYR CE2 C 13 118.129 0.300 . 1 . . . . 82 TYR CE2 . 11113 1 999 . 1 1 82 82 TYR N N 15 124.735 0.300 . 1 . . . . 82 TYR N . 11113 1 1000 . 1 1 83 83 HIS H H 1 9.839 0.030 . 1 . . . . 83 HIS H . 11113 1 1001 . 1 1 83 83 HIS HA H 1 5.608 0.030 . 1 . . . . 83 HIS HA . 11113 1 1002 . 1 1 83 83 HIS HB2 H 1 3.516 0.030 . 2 . . . . 83 HIS HB2 . 11113 1 1003 . 1 1 83 83 HIS HB3 H 1 3.380 0.030 . 2 . . . . 83 HIS HB3 . 11113 1 1004 . 1 1 83 83 HIS HD2 H 1 6.924 0.030 . 1 . . . . 83 HIS HD2 . 11113 1 1005 . 1 1 83 83 HIS HE1 H 1 5.604 0.030 . 1 . . . . 83 HIS HE1 . 11113 1 1006 . 1 1 83 83 HIS C C 13 174.954 0.300 . 1 . . . . 83 HIS C . 11113 1 1007 . 1 1 83 83 HIS CA C 13 56.040 0.300 . 1 . . . . 83 HIS CA . 11113 1 1008 . 1 1 83 83 HIS CB C 13 34.993 0.300 . 1 . . . . 83 HIS CB . 11113 1 1009 . 1 1 83 83 HIS CD2 C 13 116.706 0.300 . 1 . . . . 83 HIS CD2 . 11113 1 1010 . 1 1 83 83 HIS CE1 C 13 137.239 0.300 . 1 . . . . 83 HIS CE1 . 11113 1 1011 . 1 1 83 83 HIS N N 15 122.456 0.300 . 1 . . . . 83 HIS N . 11113 1 1012 . 1 1 84 84 CYS H H 1 8.761 0.030 . 1 . . . . 84 CYS H . 11113 1 1013 . 1 1 84 84 CYS HA H 1 5.289 0.030 . 1 . . . . 84 CYS HA . 11113 1 1014 . 1 1 84 84 CYS HB2 H 1 2.615 0.030 . 2 . . . . 84 CYS HB2 . 11113 1 1015 . 1 1 84 84 CYS HB3 H 1 2.362 0.030 . 2 . . . . 84 CYS HB3 . 11113 1 1016 . 1 1 84 84 CYS C C 13 172.140 0.300 . 1 . . . . 84 CYS C . 11113 1 1017 . 1 1 84 84 CYS CA C 13 55.499 0.300 . 1 . . . . 84 CYS CA . 11113 1 1018 . 1 1 84 84 CYS CB C 13 30.229 0.300 . 1 . . . . 84 CYS CB . 11113 1 1019 . 1 1 84 84 CYS N N 15 126.568 0.300 . 1 . . . . 84 CYS N . 11113 1 1020 . 1 1 85 85 LYS H H 1 8.300 0.030 . 1 . . . . 85 LYS H . 11113 1 1021 . 1 1 85 85 LYS HA H 1 4.861 0.030 . 1 . . . . 85 LYS HA . 11113 1 1022 . 1 1 85 85 LYS HB2 H 1 1.430 0.030 . 2 . . . . 85 LYS HB2 . 11113 1 1023 . 1 1 85 85 LYS HB3 H 1 1.081 0.030 . 2 . . . . 85 LYS HB3 . 11113 1 1024 . 1 1 85 85 LYS HD2 H 1 1.160 0.030 . 2 . . . . 85 LYS HD2 . 11113 1 1025 . 1 1 85 85 LYS HD3 H 1 1.097 0.030 . 2 . . . . 85 LYS HD3 . 11113 1 1026 . 1 1 85 85 LYS HE2 H 1 3.120 0.030 . 2 . . . . 85 LYS HE2 . 11113 1 1027 . 1 1 85 85 LYS HE3 H 1 2.978 0.030 . 2 . . . . 85 LYS HE3 . 11113 1 1028 . 1 1 85 85 LYS HG2 H 1 0.978 0.030 . 2 . . . . 85 LYS HG2 . 11113 1 1029 . 1 1 85 85 LYS HG3 H 1 1.175 0.030 . 2 . . . . 85 LYS HG3 . 11113 1 1030 . 1 1 85 85 LYS C C 13 176.218 0.300 . 1 . . . . 85 LYS C . 11113 1 1031 . 1 1 85 85 LYS CA C 13 55.308 0.300 . 1 . . . . 85 LYS CA . 11113 1 1032 . 1 1 85 85 LYS CB C 13 34.784 0.300 . 1 . . . . 85 LYS CB . 11113 1 1033 . 1 1 85 85 LYS CD C 13 29.222 0.300 . 1 . . . . 85 LYS CD . 11113 1 1034 . 1 1 85 85 LYS CE C 13 42.154 0.300 . 1 . . . . 85 LYS CE . 11113 1 1035 . 1 1 85 85 LYS CG C 13 24.373 0.300 . 1 . . . . 85 LYS CG . 11113 1 1036 . 1 1 85 85 LYS N N 15 125.359 0.300 . 1 . . . . 85 LYS N . 11113 1 1037 . 1 1 86 86 ASP H H 1 8.883 0.030 . 1 . . . . 86 ASP H . 11113 1 1038 . 1 1 86 86 ASP HA H 1 4.266 0.030 . 1 . . . . 86 ASP HA . 11113 1 1039 . 1 1 86 86 ASP HB2 H 1 2.971 0.030 . 2 . . . . 86 ASP HB2 . 11113 1 1040 . 1 1 86 86 ASP HB3 H 1 2.700 0.030 . 2 . . . . 86 ASP HB3 . 11113 1 1041 . 1 1 86 86 ASP C C 13 175.672 0.300 . 1 . . . . 86 ASP C . 11113 1 1042 . 1 1 86 86 ASP CA C 13 55.910 0.300 . 1 . . . . 86 ASP CA . 11113 1 1043 . 1 1 86 86 ASP CB C 13 40.070 0.300 . 1 . . . . 86 ASP CB . 11113 1 1044 . 1 1 86 86 ASP N N 15 128.829 0.300 . 1 . . . . 86 ASP N . 11113 1 1045 . 1 1 87 87 GLY H H 1 9.163 0.030 . 1 . . . . 87 GLY H . 11113 1 1046 . 1 1 87 87 GLY HA2 H 1 4.100 0.030 . 2 . . . . 87 GLY HA2 . 11113 1 1047 . 1 1 87 87 GLY HA3 H 1 3.147 0.030 . 2 . . . . 87 GLY HA3 . 11113 1 1048 . 1 1 87 87 GLY C C 13 172.413 0.300 . 1 . . . . 87 GLY C . 11113 1 1049 . 1 1 87 87 GLY CA C 13 46.011 0.300 . 1 . . . . 87 GLY CA . 11113 1 1050 . 1 1 87 87 GLY N N 15 104.271 0.300 . 1 . . . . 87 GLY N . 11113 1 1051 . 1 1 88 88 GLU H H 1 7.651 0.030 . 1 . . . . 88 GLU H . 11113 1 1052 . 1 1 88 88 GLU HA H 1 4.637 0.030 . 1 . . . . 88 GLU HA . 11113 1 1053 . 1 1 88 88 GLU HB2 H 1 2.208 0.030 . 2 . . . . 88 GLU HB2 . 11113 1 1054 . 1 1 88 88 GLU HB3 H 1 1.878 0.030 . 2 . . . . 88 GLU HB3 . 11113 1 1055 . 1 1 88 88 GLU HG2 H 1 2.416 0.030 . 2 . . . . 88 GLU HG2 . 11113 1 1056 . 1 1 88 88 GLU HG3 H 1 2.171 0.030 . 2 . . . . 88 GLU HG3 . 11113 1 1057 . 1 1 88 88 GLU C C 13 176.036 0.300 . 1 . . . . 88 GLU C . 11113 1 1058 . 1 1 88 88 GLU CA C 13 55.072 0.300 . 1 . . . . 88 GLU CA . 11113 1 1059 . 1 1 88 88 GLU CB C 13 31.742 0.300 . 1 . . . . 88 GLU CB . 11113 1 1060 . 1 1 88 88 GLU CG C 13 36.821 0.300 . 1 . . . . 88 GLU CG . 11113 1 1061 . 1 1 88 88 GLU N N 15 118.294 0.300 . 1 . . . . 88 GLU N . 11113 1 1062 . 1 1 89 89 PHE H H 1 9.187 0.030 . 1 . . . . 89 PHE H . 11113 1 1063 . 1 1 89 89 PHE HA H 1 5.613 0.030 . 1 . . . . 89 PHE HA . 11113 1 1064 . 1 1 89 89 PHE HB2 H 1 3.074 0.030 . 2 . . . . 89 PHE HB2 . 11113 1 1065 . 1 1 89 89 PHE HB3 H 1 2.935 0.030 . 2 . . . . 89 PHE HB3 . 11113 1 1066 . 1 1 89 89 PHE HD1 H 1 6.876 0.030 . 1 . . . . 89 PHE HD1 . 11113 1 1067 . 1 1 89 89 PHE HD2 H 1 6.876 0.030 . 1 . . . . 89 PHE HD2 . 11113 1 1068 . 1 1 89 89 PHE HE1 H 1 6.633 0.030 . 1 . . . . 89 PHE HE1 . 11113 1 1069 . 1 1 89 89 PHE HE2 H 1 6.633 0.030 . 1 . . . . 89 PHE HE2 . 11113 1 1070 . 1 1 89 89 PHE HZ H 1 6.593 0.030 . 1 . . . . 89 PHE HZ . 11113 1 1071 . 1 1 89 89 PHE C C 13 175.126 0.300 . 1 . . . . 89 PHE C . 11113 1 1072 . 1 1 89 89 PHE CA C 13 56.826 0.300 . 1 . . . . 89 PHE CA . 11113 1 1073 . 1 1 89 89 PHE CB C 13 40.853 0.300 . 1 . . . . 89 PHE CB . 11113 1 1074 . 1 1 89 89 PHE CD1 C 13 131.404 0.300 . 1 . . . . 89 PHE CD1 . 11113 1 1075 . 1 1 89 89 PHE CD2 C 13 131.404 0.300 . 1 . . . . 89 PHE CD2 . 11113 1 1076 . 1 1 89 89 PHE CE1 C 13 130.631 0.300 . 1 . . . . 89 PHE CE1 . 11113 1 1077 . 1 1 89 89 PHE CE2 C 13 130.631 0.300 . 1 . . . . 89 PHE CE2 . 11113 1 1078 . 1 1 89 89 PHE CZ C 13 129.069 0.300 . 1 . . . . 89 PHE CZ . 11113 1 1079 . 1 1 89 89 PHE N N 15 124.499 0.300 . 1 . . . . 89 PHE N . 11113 1 1080 . 1 1 90 90 ARG H H 1 9.923 0.030 . 1 . . . . 90 ARG H . 11113 1 1081 . 1 1 90 90 ARG HA H 1 4.968 0.030 . 1 . . . . 90 ARG HA . 11113 1 1082 . 1 1 90 90 ARG HB2 H 1 2.132 0.030 . 2 . . . . 90 ARG HB2 . 11113 1 1083 . 1 1 90 90 ARG HB3 H 1 1.821 0.030 . 2 . . . . 90 ARG HB3 . 11113 1 1084 . 1 1 90 90 ARG HD2 H 1 3.818 0.030 . 2 . . . . 90 ARG HD2 . 11113 1 1085 . 1 1 90 90 ARG HD3 H 1 3.749 0.030 . 2 . . . . 90 ARG HD3 . 11113 1 1086 . 1 1 90 90 ARG HE H 1 7.470 0.030 . 1 . . . . 90 ARG HE . 11113 1 1087 . 1 1 90 90 ARG HG2 H 1 1.314 0.030 . 2 . . . . 90 ARG HG2 . 11113 1 1088 . 1 1 90 90 ARG HG3 H 1 1.955 0.030 . 2 . . . . 90 ARG HG3 . 11113 1 1089 . 1 1 90 90 ARG C C 13 174.589 0.300 . 1 . . . . 90 ARG C . 11113 1 1090 . 1 1 90 90 ARG CA C 13 54.984 0.300 . 1 . . . . 90 ARG CA . 11113 1 1091 . 1 1 90 90 ARG CB C 13 34.122 0.300 . 1 . . . . 90 ARG CB . 11113 1 1092 . 1 1 90 90 ARG CD C 13 44.870 0.300 . 1 . . . . 90 ARG CD . 11113 1 1093 . 1 1 90 90 ARG CG C 13 29.204 0.300 . 1 . . . . 90 ARG CG . 11113 1 1094 . 1 1 90 90 ARG N N 15 123.132 0.300 . 1 . . . . 90 ARG N . 11113 1 1095 . 1 1 90 90 ARG NE N 15 86.658 0.300 . 1 . . . . 90 ARG NE . 11113 1 1096 . 1 1 91 91 ARG H H 1 9.201 0.030 . 1 . . . . 91 ARG H . 11113 1 1097 . 1 1 91 91 ARG HA H 1 3.935 0.030 . 1 . . . . 91 ARG HA . 11113 1 1098 . 1 1 91 91 ARG HB2 H 1 1.837 0.030 . 2 . . . . 91 ARG HB2 . 11113 1 1099 . 1 1 91 91 ARG HB3 H 1 1.491 0.030 . 2 . . . . 91 ARG HB3 . 11113 1 1100 . 1 1 91 91 ARG HD2 H 1 3.144 0.030 . 2 . . . . 91 ARG HD2 . 11113 1 1101 . 1 1 91 91 ARG HD3 H 1 3.020 0.030 . 2 . . . . 91 ARG HD3 . 11113 1 1102 . 1 1 91 91 ARG HG2 H 1 1.279 0.030 . 2 . . . . 91 ARG HG2 . 11113 1 1103 . 1 1 91 91 ARG HG3 H 1 1.170 0.030 . 2 . . . . 91 ARG HG3 . 11113 1 1104 . 1 1 91 91 ARG C C 13 174.943 0.300 . 1 . . . . 91 ARG C . 11113 1 1105 . 1 1 91 91 ARG CA C 13 56.749 0.300 . 1 . . . . 91 ARG CA . 11113 1 1106 . 1 1 91 91 ARG CB C 13 31.100 0.300 . 1 . . . . 91 ARG CB . 11113 1 1107 . 1 1 91 91 ARG CD C 13 43.523 0.300 . 1 . . . . 91 ARG CD . 11113 1 1108 . 1 1 91 91 ARG CG C 13 27.758 0.300 . 1 . . . . 91 ARG CG . 11113 1 1109 . 1 1 91 91 ARG N N 15 125.897 0.300 . 1 . . . . 91 ARG N . 11113 1 1110 . 1 1 92 92 TYR H H 1 8.576 0.030 . 1 . . . . 92 TYR H . 11113 1 1111 . 1 1 92 92 TYR HA H 1 4.251 0.030 . 1 . . . . 92 TYR HA . 11113 1 1112 . 1 1 92 92 TYR HB2 H 1 2.685 0.030 . 2 . . . . 92 TYR HB2 . 11113 1 1113 . 1 1 92 92 TYR HB3 H 1 2.289 0.030 . 2 . . . . 92 TYR HB3 . 11113 1 1114 . 1 1 92 92 TYR HD1 H 1 6.104 0.030 . 1 . . . . 92 TYR HD1 . 11113 1 1115 . 1 1 92 92 TYR HD2 H 1 6.104 0.030 . 1 . . . . 92 TYR HD2 . 11113 1 1116 . 1 1 92 92 TYR HE1 H 1 6.393 0.030 . 1 . . . . 92 TYR HE1 . 11113 1 1117 . 1 1 92 92 TYR HE2 H 1 6.393 0.030 . 1 . . . . 92 TYR HE2 . 11113 1 1118 . 1 1 92 92 TYR C C 13 175.682 0.300 . 1 . . . . 92 TYR C . 11113 1 1119 . 1 1 92 92 TYR CA C 13 58.329 0.300 . 1 . . . . 92 TYR CA . 11113 1 1120 . 1 1 92 92 TYR CB C 13 38.838 0.300 . 1 . . . . 92 TYR CB . 11113 1 1121 . 1 1 92 92 TYR CD1 C 13 132.255 0.300 . 1 . . . . 92 TYR CD1 . 11113 1 1122 . 1 1 92 92 TYR CD2 C 13 132.255 0.300 . 1 . . . . 92 TYR CD2 . 11113 1 1123 . 1 1 92 92 TYR CE1 C 13 118.207 0.300 . 1 . . . . 92 TYR CE1 . 11113 1 1124 . 1 1 92 92 TYR CE2 C 13 118.207 0.300 . 1 . . . . 92 TYR CE2 . 11113 1 1125 . 1 1 92 92 TYR N N 15 127.288 0.300 . 1 . . . . 92 TYR N . 11113 1 1126 . 1 1 93 93 GLN H H 1 8.504 0.030 . 1 . . . . 93 GLN H . 11113 1 1127 . 1 1 93 93 GLN HA H 1 4.528 0.030 . 1 . . . . 93 GLN HA . 11113 1 1128 . 1 1 93 93 GLN HB2 H 1 2.188 0.030 . 2 . . . . 93 GLN HB2 . 11113 1 1129 . 1 1 93 93 GLN HB3 H 1 1.666 0.030 . 2 . . . . 93 GLN HB3 . 11113 1 1130 . 1 1 93 93 GLN HE21 H 1 7.653 0.030 . 2 . . . . 93 GLN HE21 . 11113 1 1131 . 1 1 93 93 GLN HE22 H 1 6.893 0.030 . 2 . . . . 93 GLN HE22 . 11113 1 1132 . 1 1 93 93 GLN HG2 H 1 2.035 0.030 . 2 . . . . 93 GLN HG2 . 11113 1 1133 . 1 1 93 93 GLN HG3 H 1 2.175 0.030 . 2 . . . . 93 GLN HG3 . 11113 1 1134 . 1 1 93 93 GLN C C 13 174.630 0.300 . 1 . . . . 93 GLN C . 11113 1 1135 . 1 1 93 93 GLN CA C 13 54.820 0.300 . 1 . . . . 93 GLN CA . 11113 1 1136 . 1 1 93 93 GLN CB C 13 30.410 0.300 . 1 . . . . 93 GLN CB . 11113 1 1137 . 1 1 93 93 GLN CG C 13 34.173 0.300 . 1 . . . . 93 GLN CG . 11113 1 1138 . 1 1 93 93 GLN N N 15 128.189 0.300 . 1 . . . . 93 GLN N . 11113 1 1139 . 1 1 93 93 GLN NE2 N 15 111.840 0.300 . 1 . . . . 93 GLN NE2 . 11113 1 1140 . 1 1 94 94 GLY H H 1 5.386 0.030 . 1 . . . . 94 GLY H . 11113 1 1141 . 1 1 94 94 GLY HA2 H 1 4.099 0.030 . 2 . . . . 94 GLY HA2 . 11113 1 1142 . 1 1 94 94 GLY HA3 H 1 3.584 0.030 . 2 . . . . 94 GLY HA3 . 11113 1 1143 . 1 1 94 94 GLY CA C 13 44.715 0.300 . 1 . . . . 94 GLY CA . 11113 1 1144 . 1 1 94 94 GLY N N 15 106.230 0.300 . 1 . . . . 94 GLY N . 11113 1 1145 . 1 1 95 95 PRO HA H 1 4.346 0.030 . 1 . . . . 95 PRO HA . 11113 1 1146 . 1 1 95 95 PRO HB2 H 1 2.176 0.030 . 2 . . . . 95 PRO HB2 . 11113 1 1147 . 1 1 95 95 PRO HB3 H 1 1.987 0.030 . 2 . . . . 95 PRO HB3 . 11113 1 1148 . 1 1 95 95 PRO HD2 H 1 3.365 0.030 . 2 . . . . 95 PRO HD2 . 11113 1 1149 . 1 1 95 95 PRO HD3 H 1 3.557 0.030 . 2 . . . . 95 PRO HD3 . 11113 1 1150 . 1 1 95 95 PRO HG2 H 1 1.910 0.030 . 2 . . . . 95 PRO HG2 . 11113 1 1151 . 1 1 95 95 PRO HG3 H 1 1.846 0.030 . 2 . . . . 95 PRO HG3 . 11113 1 1152 . 1 1 95 95 PRO C C 13 178.052 0.300 . 1 . . . . 95 PRO C . 11113 1 1153 . 1 1 95 95 PRO CA C 13 62.437 0.300 . 1 . . . . 95 PRO CA . 11113 1 1154 . 1 1 95 95 PRO CB C 13 31.592 0.300 . 1 . . . . 95 PRO CB . 11113 1 1155 . 1 1 95 95 PRO CD C 13 49.905 0.300 . 1 . . . . 95 PRO CD . 11113 1 1156 . 1 1 95 95 PRO CG C 13 27.874 0.300 . 1 . . . . 95 PRO CG . 11113 1 1157 . 1 1 96 96 ARG H H 1 8.926 0.030 . 1 . . . . 96 ARG H . 11113 1 1158 . 1 1 96 96 ARG HA H 1 4.343 0.030 . 1 . . . . 96 ARG HA . 11113 1 1159 . 1 1 96 96 ARG HB2 H 1 1.938 0.030 . 2 . . . . 96 ARG HB2 . 11113 1 1160 . 1 1 96 96 ARG HB3 H 1 1.513 0.030 . 2 . . . . 96 ARG HB3 . 11113 1 1161 . 1 1 96 96 ARG HD2 H 1 3.394 0.030 . 2 . . . . 96 ARG HD2 . 11113 1 1162 . 1 1 96 96 ARG HD3 H 1 3.215 0.030 . 2 . . . . 96 ARG HD3 . 11113 1 1163 . 1 1 96 96 ARG C C 13 174.346 0.300 . 1 . . . . 96 ARG C . 11113 1 1164 . 1 1 96 96 ARG CA C 13 55.352 0.300 . 1 . . . . 96 ARG CA . 11113 1 1165 . 1 1 96 96 ARG CB C 13 28.549 0.300 . 1 . . . . 96 ARG CB . 11113 1 1166 . 1 1 96 96 ARG CD C 13 44.104 0.300 . 1 . . . . 96 ARG CD . 11113 1 1167 . 1 1 96 96 ARG N N 15 124.823 0.300 . 1 . . . . 96 ARG N . 11113 1 1168 . 1 1 97 97 THR H H 1 6.380 0.030 . 1 . . . . 97 THR H . 11113 1 1169 . 1 1 97 97 THR HA H 1 4.482 0.030 . 1 . . . . 97 THR HA . 11113 1 1170 . 1 1 97 97 THR HB H 1 4.119 0.030 . 1 . . . . 97 THR HB . 11113 1 1171 . 1 1 97 97 THR HG21 H 1 1.011 0.030 . 1 . . . . 97 THR HG2 . 11113 1 1172 . 1 1 97 97 THR HG22 H 1 1.011 0.030 . 1 . . . . 97 THR HG2 . 11113 1 1173 . 1 1 97 97 THR HG23 H 1 1.011 0.030 . 1 . . . . 97 THR HG2 . 11113 1 1174 . 1 1 97 97 THR C C 13 172.828 0.300 . 1 . . . . 97 THR C . 11113 1 1175 . 1 1 97 97 THR CA C 13 59.003 0.300 . 1 . . . . 97 THR CA . 11113 1 1176 . 1 1 97 97 THR CB C 13 72.286 0.300 . 1 . . . . 97 THR CB . 11113 1 1177 . 1 1 97 97 THR CG2 C 13 20.861 0.300 . 1 . . . . 97 THR CG2 . 11113 1 1178 . 1 1 97 97 THR N N 15 109.011 0.300 . 1 . . . . 97 THR N . 11113 1 1179 . 1 1 98 98 LYS H H 1 9.705 0.030 . 1 . . . . 98 LYS H . 11113 1 1180 . 1 1 98 98 LYS HA H 1 3.704 0.030 . 1 . . . . 98 LYS HA . 11113 1 1181 . 1 1 98 98 LYS HB2 H 1 2.068 0.030 . 2 . . . . 98 LYS HB2 . 11113 1 1182 . 1 1 98 98 LYS HB3 H 1 1.851 0.030 . 2 . . . . 98 LYS HB3 . 11113 1 1183 . 1 1 98 98 LYS HD2 H 1 1.700 0.030 . 2 . . . . 98 LYS HD2 . 11113 1 1184 . 1 1 98 98 LYS HD3 H 1 1.636 0.030 . 2 . . . . 98 LYS HD3 . 11113 1 1185 . 1 1 98 98 LYS HE2 H 1 2.908 0.030 . 2 . . . . 98 LYS HE2 . 11113 1 1186 . 1 1 98 98 LYS HE3 H 1 2.800 0.030 . 2 . . . . 98 LYS HE3 . 11113 1 1187 . 1 1 98 98 LYS HG2 H 1 1.306 0.030 . 2 . . . . 98 LYS HG2 . 11113 1 1188 . 1 1 98 98 LYS HG3 H 1 1.187 0.030 . 2 . . . . 98 LYS HG3 . 11113 1 1189 . 1 1 98 98 LYS C C 13 176.612 0.300 . 1 . . . . 98 LYS C . 11113 1 1190 . 1 1 98 98 LYS CA C 13 60.912 0.300 . 1 . . . . 98 LYS CA . 11113 1 1191 . 1 1 98 98 LYS CB C 13 31.924 0.300 . 1 . . . . 98 LYS CB . 11113 1 1192 . 1 1 98 98 LYS CD C 13 29.738 0.300 . 1 . . . . 98 LYS CD . 11113 1 1193 . 1 1 98 98 LYS CE C 13 41.523 0.300 . 1 . . . . 98 LYS CE . 11113 1 1194 . 1 1 98 98 LYS CG C 13 24.141 0.300 . 1 . . . . 98 LYS CG . 11113 1 1195 . 1 1 98 98 LYS N N 15 122.861 0.300 . 1 . . . . 98 LYS N . 11113 1 1196 . 1 1 99 99 LYS H H 1 8.111 0.030 . 1 . . . . 99 LYS H . 11113 1 1197 . 1 1 99 99 LYS HA H 1 3.649 0.030 . 1 . . . . 99 LYS HA . 11113 1 1198 . 1 1 99 99 LYS HB2 H 1 1.693 0.030 . 2 . . . . 99 LYS HB2 . 11113 1 1199 . 1 1 99 99 LYS HB3 H 1 1.530 0.030 . 2 . . . . 99 LYS HB3 . 11113 1 1200 . 1 1 99 99 LYS HD2 H 1 1.506 0.030 . 1 . . . . 99 LYS HD2 . 11113 1 1201 . 1 1 99 99 LYS HD3 H 1 1.506 0.030 . 1 . . . . 99 LYS HD3 . 11113 1 1202 . 1 1 99 99 LYS HE2 H 1 2.865 0.030 . 1 . . . . 99 LYS HE2 . 11113 1 1203 . 1 1 99 99 LYS HE3 H 1 2.865 0.030 . 1 . . . . 99 LYS HE3 . 11113 1 1204 . 1 1 99 99 LYS HG2 H 1 1.196 0.030 . 2 . . . . 99 LYS HG2 . 11113 1 1205 . 1 1 99 99 LYS HG3 H 1 1.310 0.030 . 2 . . . . 99 LYS HG3 . 11113 1 1206 . 1 1 99 99 LYS C C 13 177.807 0.300 . 1 . . . . 99 LYS C . 11113 1 1207 . 1 1 99 99 LYS CA C 13 59.259 0.300 . 1 . . . . 99 LYS CA . 11113 1 1208 . 1 1 99 99 LYS CB C 13 31.806 0.300 . 1 . . . . 99 LYS CB . 11113 1 1209 . 1 1 99 99 LYS CD C 13 29.060 0.300 . 1 . . . . 99 LYS CD . 11113 1 1210 . 1 1 99 99 LYS CE C 13 41.885 0.300 . 1 . . . . 99 LYS CE . 11113 1 1211 . 1 1 99 99 LYS CG C 13 24.117 0.300 . 1 . . . . 99 LYS CG . 11113 1 1212 . 1 1 99 99 LYS N N 15 116.662 0.300 . 1 . . . . 99 LYS N . 11113 1 1213 . 1 1 100 100 ASP H H 1 7.240 0.030 . 1 . . . . 100 ASP H . 11113 1 1214 . 1 1 100 100 ASP HA H 1 4.342 0.030 . 1 . . . . 100 ASP HA . 11113 1 1215 . 1 1 100 100 ASP HB2 H 1 2.562 0.030 . 2 . . . . 100 ASP HB2 . 11113 1 1216 . 1 1 100 100 ASP HB3 H 1 2.153 0.030 . 2 . . . . 100 ASP HB3 . 11113 1 1217 . 1 1 100 100 ASP C C 13 179.031 0.300 . 1 . . . . 100 ASP C . 11113 1 1218 . 1 1 100 100 ASP CA C 13 57.941 0.300 . 1 . . . . 100 ASP CA . 11113 1 1219 . 1 1 100 100 ASP CB C 13 41.849 0.300 . 1 . . . . 100 ASP CB . 11113 1 1220 . 1 1 100 100 ASP N N 15 117.815 0.300 . 1 . . . . 100 ASP N . 11113 1 1221 . 1 1 101 101 PHE H H 1 7.807 0.030 . 1 . . . . 101 PHE H . 11113 1 1222 . 1 1 101 101 PHE HA H 1 3.939 0.030 . 1 . . . . 101 PHE HA . 11113 1 1223 . 1 1 101 101 PHE HB2 H 1 1.837 0.030 . 2 . . . . 101 PHE HB2 . 11113 1 1224 . 1 1 101 101 PHE HB3 H 1 1.312 0.030 . 2 . . . . 101 PHE HB3 . 11113 1 1225 . 1 1 101 101 PHE HD1 H 1 6.232 0.030 . 1 . . . . 101 PHE HD1 . 11113 1 1226 . 1 1 101 101 PHE HD2 H 1 6.232 0.030 . 1 . . . . 101 PHE HD2 . 11113 1 1227 . 1 1 101 101 PHE HE1 H 1 6.848 0.030 . 1 . . . . 101 PHE HE1 . 11113 1 1228 . 1 1 101 101 PHE HE2 H 1 6.848 0.030 . 1 . . . . 101 PHE HE2 . 11113 1 1229 . 1 1 101 101 PHE HZ H 1 6.756 0.030 . 1 . . . . 101 PHE HZ . 11113 1 1230 . 1 1 101 101 PHE C C 13 177.189 0.300 . 1 . . . . 101 PHE C . 11113 1 1231 . 1 1 101 101 PHE CA C 13 58.401 0.300 . 1 . . . . 101 PHE CA . 11113 1 1232 . 1 1 101 101 PHE CB C 13 35.671 0.300 . 1 . . . . 101 PHE CB . 11113 1 1233 . 1 1 101 101 PHE CD1 C 13 130.631 0.300 . 1 . . . . 101 PHE CD1 . 11113 1 1234 . 1 1 101 101 PHE CD2 C 13 130.631 0.300 . 1 . . . . 101 PHE CD2 . 11113 1 1235 . 1 1 101 101 PHE CE1 C 13 129.888 0.300 . 1 . . . . 101 PHE CE1 . 11113 1 1236 . 1 1 101 101 PHE CE2 C 13 129.888 0.300 . 1 . . . . 101 PHE CE2 . 11113 1 1237 . 1 1 101 101 PHE CZ C 13 127.454 0.300 . 1 . . . . 101 PHE CZ . 11113 1 1238 . 1 1 101 101 PHE N N 15 121.138 0.300 . 1 . . . . 101 PHE N . 11113 1 1239 . 1 1 102 102 ILE H H 1 8.025 0.030 . 1 . . . . 102 ILE H . 11113 1 1240 . 1 1 102 102 ILE HA H 1 3.390 0.030 . 1 . . . . 102 ILE HA . 11113 1 1241 . 1 1 102 102 ILE HB H 1 1.535 0.030 . 1 . . . . 102 ILE HB . 11113 1 1242 . 1 1 102 102 ILE HD11 H 1 -0.144 0.030 . 1 . . . . 102 ILE HD1 . 11113 1 1243 . 1 1 102 102 ILE HD12 H 1 -0.144 0.030 . 1 . . . . 102 ILE HD1 . 11113 1 1244 . 1 1 102 102 ILE HD13 H 1 -0.144 0.030 . 1 . . . . 102 ILE HD1 . 11113 1 1245 . 1 1 102 102 ILE HG12 H 1 1.655 0.030 . 2 . . . . 102 ILE HG12 . 11113 1 1246 . 1 1 102 102 ILE HG13 H 1 0.206 0.030 . 2 . . . . 102 ILE HG13 . 11113 1 1247 . 1 1 102 102 ILE HG21 H 1 0.578 0.030 . 1 . . . . 102 ILE HG2 . 11113 1 1248 . 1 1 102 102 ILE HG22 H 1 0.578 0.030 . 1 . . . . 102 ILE HG2 . 11113 1 1249 . 1 1 102 102 ILE HG23 H 1 0.578 0.030 . 1 . . . . 102 ILE HG2 . 11113 1 1250 . 1 1 102 102 ILE C C 13 178.983 0.300 . 1 . . . . 102 ILE C . 11113 1 1251 . 1 1 102 102 ILE CA C 13 66.002 0.300 . 1 . . . . 102 ILE CA . 11113 1 1252 . 1 1 102 102 ILE CB C 13 37.936 0.300 . 1 . . . . 102 ILE CB . 11113 1 1253 . 1 1 102 102 ILE CD1 C 13 13.368 0.300 . 1 . . . . 102 ILE CD1 . 11113 1 1254 . 1 1 102 102 ILE CG1 C 13 29.747 0.300 . 1 . . . . 102 ILE CG1 . 11113 1 1255 . 1 1 102 102 ILE CG2 C 13 16.207 0.300 . 1 . . . . 102 ILE CG2 . 11113 1 1256 . 1 1 102 102 ILE N N 15 117.441 0.300 . 1 . . . . 102 ILE N . 11113 1 1257 . 1 1 103 103 ASN H H 1 8.118 0.030 . 1 . . . . 103 ASN H . 11113 1 1258 . 1 1 103 103 ASN HA H 1 4.390 0.030 . 1 . . . . 103 ASN HA . 11113 1 1259 . 1 1 103 103 ASN HB2 H 1 2.987 0.030 . 2 . . . . 103 ASN HB2 . 11113 1 1260 . 1 1 103 103 ASN HB3 H 1 2.869 0.030 . 2 . . . . 103 ASN HB3 . 11113 1 1261 . 1 1 103 103 ASN HD21 H 1 7.871 0.030 . 2 . . . . 103 ASN HD21 . 11113 1 1262 . 1 1 103 103 ASN HD22 H 1 6.653 0.030 . 2 . . . . 103 ASN HD22 . 11113 1 1263 . 1 1 103 103 ASN C C 13 176.522 0.300 . 1 . . . . 103 ASN C . 11113 1 1264 . 1 1 103 103 ASN CA C 13 56.117 0.300 . 1 . . . . 103 ASN CA . 11113 1 1265 . 1 1 103 103 ASN CB C 13 37.865 0.300 . 1 . . . . 103 ASN CB . 11113 1 1266 . 1 1 103 103 ASN N N 15 120.163 0.300 . 1 . . . . 103 ASN N . 11113 1 1267 . 1 1 103 103 ASN ND2 N 15 111.544 0.300 . 1 . . . . 103 ASN ND2 . 11113 1 1268 . 1 1 104 104 PHE H H 1 8.103 0.030 . 1 . . . . 104 PHE H . 11113 1 1269 . 1 1 104 104 PHE HA H 1 4.434 0.030 . 1 . . . . 104 PHE HA . 11113 1 1270 . 1 1 104 104 PHE HB2 H 1 3.532 0.030 . 2 . . . . 104 PHE HB2 . 11113 1 1271 . 1 1 104 104 PHE HB3 H 1 3.499 0.030 . 2 . . . . 104 PHE HB3 . 11113 1 1272 . 1 1 104 104 PHE HD1 H 1 7.523 0.030 . 1 . . . . 104 PHE HD1 . 11113 1 1273 . 1 1 104 104 PHE HD2 H 1 7.523 0.030 . 1 . . . . 104 PHE HD2 . 11113 1 1274 . 1 1 104 104 PHE HE1 H 1 7.475 0.030 . 1 . . . . 104 PHE HE1 . 11113 1 1275 . 1 1 104 104 PHE HE2 H 1 7.475 0.030 . 1 . . . . 104 PHE HE2 . 11113 1 1276 . 1 1 104 104 PHE HZ H 1 7.098 0.030 . 1 . . . . 104 PHE HZ . 11113 1 1277 . 1 1 104 104 PHE C C 13 177.392 0.300 . 1 . . . . 104 PHE C . 11113 1 1278 . 1 1 104 104 PHE CA C 13 61.074 0.300 . 1 . . . . 104 PHE CA . 11113 1 1279 . 1 1 104 104 PHE CB C 13 39.978 0.300 . 1 . . . . 104 PHE CB . 11113 1 1280 . 1 1 104 104 PHE CD1 C 13 133.518 0.300 . 1 . . . . 104 PHE CD1 . 11113 1 1281 . 1 1 104 104 PHE CD2 C 13 133.518 0.300 . 1 . . . . 104 PHE CD2 . 11113 1 1282 . 1 1 104 104 PHE CE1 C 13 131.282 0.300 . 1 . . . . 104 PHE CE1 . 11113 1 1283 . 1 1 104 104 PHE CE2 C 13 131.282 0.300 . 1 . . . . 104 PHE CE2 . 11113 1 1284 . 1 1 104 104 PHE CZ C 13 128.395 0.300 . 1 . . . . 104 PHE CZ . 11113 1 1285 . 1 1 104 104 PHE N N 15 120.188 0.300 . 1 . . . . 104 PHE N . 11113 1 1286 . 1 1 105 105 ILE H H 1 7.592 0.030 . 1 . . . . 105 ILE H . 11113 1 1287 . 1 1 105 105 ILE HA H 1 4.265 0.030 . 1 . . . . 105 ILE HA . 11113 1 1288 . 1 1 105 105 ILE HB H 1 2.548 0.030 . 1 . . . . 105 ILE HB . 11113 1 1289 . 1 1 105 105 ILE HD11 H 1 1.255 0.030 . 1 . . . . 105 ILE HD1 . 11113 1 1290 . 1 1 105 105 ILE HD12 H 1 1.255 0.030 . 1 . . . . 105 ILE HD1 . 11113 1 1291 . 1 1 105 105 ILE HD13 H 1 1.255 0.030 . 1 . . . . 105 ILE HD1 . 11113 1 1292 . 1 1 105 105 ILE HG12 H 1 2.470 0.030 . 2 . . . . 105 ILE HG12 . 11113 1 1293 . 1 1 105 105 ILE HG13 H 1 1.672 0.030 . 2 . . . . 105 ILE HG13 . 11113 1 1294 . 1 1 105 105 ILE HG21 H 1 1.260 0.030 . 1 . . . . 105 ILE HG2 . 11113 1 1295 . 1 1 105 105 ILE HG22 H 1 1.260 0.030 . 1 . . . . 105 ILE HG2 . 11113 1 1296 . 1 1 105 105 ILE HG23 H 1 1.260 0.030 . 1 . . . . 105 ILE HG2 . 11113 1 1297 . 1 1 105 105 ILE C C 13 180.701 0.300 . 1 . . . . 105 ILE C . 11113 1 1298 . 1 1 105 105 ILE CA C 13 60.860 0.300 . 1 . . . . 105 ILE CA . 11113 1 1299 . 1 1 105 105 ILE CB C 13 36.972 0.300 . 1 . . . . 105 ILE CB . 11113 1 1300 . 1 1 105 105 ILE CD1 C 13 9.919 0.300 . 1 . . . . 105 ILE CD1 . 11113 1 1301 . 1 1 105 105 ILE CG1 C 13 27.279 0.300 . 1 . . . . 105 ILE CG1 . 11113 1 1302 . 1 1 105 105 ILE CG2 C 13 18.702 0.300 . 1 . . . . 105 ILE CG2 . 11113 1 1303 . 1 1 105 105 ILE N N 15 114.662 0.300 . 1 . . . . 105 ILE N . 11113 1 1304 . 1 1 106 106 SER H H 1 9.746 0.030 . 1 . . . . 106 SER H . 11113 1 1305 . 1 1 106 106 SER HA H 1 4.265 0.030 . 1 . . . . 106 SER HA . 11113 1 1306 . 1 1 106 106 SER HB2 H 1 4.006 0.030 . 2 . . . . 106 SER HB2 . 11113 1 1307 . 1 1 106 106 SER HB3 H 1 3.953 0.030 . 2 . . . . 106 SER HB3 . 11113 1 1308 . 1 1 106 106 SER C C 13 175.850 0.300 . 1 . . . . 106 SER C . 11113 1 1309 . 1 1 106 106 SER CA C 13 62.721 0.300 . 1 . . . . 106 SER CA . 11113 1 1310 . 1 1 106 106 SER CB C 13 63.267 0.300 . 1 . . . . 106 SER CB . 11113 1 1311 . 1 1 106 106 SER N N 15 119.641 0.300 . 1 . . . . 106 SER N . 11113 1 1312 . 1 1 107 107 ASP H H 1 8.609 0.030 . 1 . . . . 107 ASP H . 11113 1 1313 . 1 1 107 107 ASP HA H 1 4.850 0.030 . 1 . . . . 107 ASP HA . 11113 1 1314 . 1 1 107 107 ASP HB2 H 1 2.788 0.030 . 2 . . . . 107 ASP HB2 . 11113 1 1315 . 1 1 107 107 ASP HB3 H 1 2.674 0.030 . 2 . . . . 107 ASP HB3 . 11113 1 1316 . 1 1 107 107 ASP C C 13 175.105 0.300 . 1 . . . . 107 ASP C . 11113 1 1317 . 1 1 107 107 ASP CA C 13 54.028 0.300 . 1 . . . . 107 ASP CA . 11113 1 1318 . 1 1 107 107 ASP CB C 13 39.995 0.300 . 1 . . . . 107 ASP CB . 11113 1 1319 . 1 1 107 107 ASP N N 15 118.096 0.300 . 1 . . . . 107 ASP N . 11113 1 1320 . 1 1 108 108 LYS H H 1 7.714 0.030 . 1 . . . . 108 LYS H . 11113 1 1321 . 1 1 108 108 LYS HA H 1 3.446 0.030 . 1 . . . . 108 LYS HA . 11113 1 1322 . 1 1 108 108 LYS HB2 H 1 1.692 0.030 . 2 . . . . 108 LYS HB2 . 11113 1 1323 . 1 1 108 108 LYS HB3 H 1 0.918 0.030 . 2 . . . . 108 LYS HB3 . 11113 1 1324 . 1 1 108 108 LYS HD2 H 1 1.693 0.030 . 2 . . . . 108 LYS HD2 . 11113 1 1325 . 1 1 108 108 LYS HD3 H 1 1.616 0.030 . 2 . . . . 108 LYS HD3 . 11113 1 1326 . 1 1 108 108 LYS HE2 H 1 3.127 0.030 . 1 . . . . 108 LYS HE2 . 11113 1 1327 . 1 1 108 108 LYS HE3 H 1 3.127 0.030 . 1 . . . . 108 LYS HE3 . 11113 1 1328 . 1 1 108 108 LYS HG2 H 1 1.369 0.030 . 2 . . . . 108 LYS HG2 . 11113 1 1329 . 1 1 108 108 LYS HG3 H 1 1.551 0.030 . 2 . . . . 108 LYS HG3 . 11113 1 1330 . 1 1 108 108 LYS C C 13 177.017 0.300 . 1 . . . . 108 LYS C . 11113 1 1331 . 1 1 108 108 LYS CA C 13 57.014 0.300 . 1 . . . . 108 LYS CA . 11113 1 1332 . 1 1 108 108 LYS CB C 13 29.169 0.300 . 1 . . . . 108 LYS CB . 11113 1 1333 . 1 1 108 108 LYS CD C 13 30.014 0.300 . 1 . . . . 108 LYS CD . 11113 1 1334 . 1 1 108 108 LYS CE C 13 42.566 0.300 . 1 . . . . 108 LYS CE . 11113 1 1335 . 1 1 108 108 LYS CG C 13 25.146 0.300 . 1 . . . . 108 LYS CG . 11113 1 1336 . 1 1 108 108 LYS N N 15 116.312 0.300 . 1 . . . . 108 LYS N . 11113 1 1337 . 1 1 109 109 GLU H H 1 8.178 0.030 . 1 . . . . 109 GLU H . 11113 1 1338 . 1 1 109 109 GLU HA H 1 3.808 0.030 . 1 . . . . 109 GLU HA . 11113 1 1339 . 1 1 109 109 GLU HB2 H 1 2.111 0.030 . 2 . . . . 109 GLU HB2 . 11113 1 1340 . 1 1 109 109 GLU HB3 H 1 1.961 0.030 . 2 . . . . 109 GLU HB3 . 11113 1 1341 . 1 1 109 109 GLU HG2 H 1 2.323 0.030 . 2 . . . . 109 GLU HG2 . 11113 1 1342 . 1 1 109 109 GLU HG3 H 1 2.126 0.030 . 2 . . . . 109 GLU HG3 . 11113 1 1343 . 1 1 109 109 GLU C C 13 177.219 0.300 . 1 . . . . 109 GLU C . 11113 1 1344 . 1 1 109 109 GLU CA C 13 58.227 0.300 . 1 . . . . 109 GLU CA . 11113 1 1345 . 1 1 109 109 GLU CB C 13 29.876 0.300 . 1 . . . . 109 GLU CB . 11113 1 1346 . 1 1 109 109 GLU CG C 13 36.609 0.300 . 1 . . . . 109 GLU CG . 11113 1 1347 . 1 1 109 109 GLU N N 15 118.245 0.300 . 1 . . . . 109 GLU N . 11113 1 1348 . 1 1 110 110 TRP H H 1 6.199 0.030 . 1 . . . . 110 TRP H . 11113 1 1349 . 1 1 110 110 TRP HA H 1 3.918 0.030 . 1 . . . . 110 TRP HA . 11113 1 1350 . 1 1 110 110 TRP HB2 H 1 3.023 0.030 . 2 . . . . 110 TRP HB2 . 11113 1 1351 . 1 1 110 110 TRP HB3 H 1 2.211 0.030 . 2 . . . . 110 TRP HB3 . 11113 1 1352 . 1 1 110 110 TRP HD1 H 1 6.370 0.030 . 1 . . . . 110 TRP HD1 . 11113 1 1353 . 1 1 110 110 TRP HE1 H 1 10.954 0.030 . 1 . . . . 110 TRP HE1 . 11113 1 1354 . 1 1 110 110 TRP HE3 H 1 7.007 0.030 . 1 . . . . 110 TRP HE3 . 11113 1 1355 . 1 1 110 110 TRP HH2 H 1 7.279 0.030 . 1 . . . . 110 TRP HH2 . 11113 1 1356 . 1 1 110 110 TRP HZ2 H 1 7.566 0.030 . 1 . . . . 110 TRP HZ2 . 11113 1 1357 . 1 1 110 110 TRP HZ3 H 1 7.169 0.030 . 1 . . . . 110 TRP HZ3 . 11113 1 1358 . 1 1 110 110 TRP C C 13 176.626 0.300 . 1 . . . . 110 TRP C . 11113 1 1359 . 1 1 110 110 TRP CA C 13 55.545 0.300 . 1 . . . . 110 TRP CA . 11113 1 1360 . 1 1 110 110 TRP CB C 13 27.468 0.300 . 1 . . . . 110 TRP CB . 11113 1 1361 . 1 1 110 110 TRP CD1 C 13 125.156 0.300 . 1 . . . . 110 TRP CD1 . 11113 1 1362 . 1 1 110 110 TRP CE3 C 13 120.432 0.300 . 1 . . . . 110 TRP CE3 . 11113 1 1363 . 1 1 110 110 TRP CH2 C 13 125.524 0.300 . 1 . . . . 110 TRP CH2 . 11113 1 1364 . 1 1 110 110 TRP CZ2 C 13 114.129 0.300 . 1 . . . . 110 TRP CZ2 . 11113 1 1365 . 1 1 110 110 TRP CZ3 C 13 122.759 0.300 . 1 . . . . 110 TRP CZ3 . 11113 1 1366 . 1 1 110 110 TRP N N 15 114.814 0.300 . 1 . . . . 110 TRP N . 11113 1 1367 . 1 1 110 110 TRP NE1 N 15 129.912 0.300 . 1 . . . . 110 TRP NE1 . 11113 1 1368 . 1 1 111 111 LYS H H 1 6.386 0.030 . 1 . . . . 111 LYS H . 11113 1 1369 . 1 1 111 111 LYS HA H 1 3.613 0.030 . 1 . . . . 111 LYS HA . 11113 1 1370 . 1 1 111 111 LYS HB2 H 1 1.436 0.030 . 2 . . . . 111 LYS HB2 . 11113 1 1371 . 1 1 111 111 LYS HB3 H 1 1.223 0.030 . 2 . . . . 111 LYS HB3 . 11113 1 1372 . 1 1 111 111 LYS HD2 H 1 1.312 0.030 . 1 . . . . 111 LYS HD2 . 11113 1 1373 . 1 1 111 111 LYS HD3 H 1 1.312 0.030 . 1 . . . . 111 LYS HD3 . 11113 1 1374 . 1 1 111 111 LYS HE2 H 1 2.727 0.030 . 2 . . . . 111 LYS HE2 . 11113 1 1375 . 1 1 111 111 LYS HE3 H 1 2.657 0.030 . 2 . . . . 111 LYS HE3 . 11113 1 1376 . 1 1 111 111 LYS HG2 H 1 0.445 0.030 . 2 . . . . 111 LYS HG2 . 11113 1 1377 . 1 1 111 111 LYS HG3 H 1 0.175 0.030 . 2 . . . . 111 LYS HG3 . 11113 1 1378 . 1 1 111 111 LYS C C 13 177.807 0.300 . 1 . . . . 111 LYS C . 11113 1 1379 . 1 1 111 111 LYS CA C 13 59.456 0.300 . 1 . . . . 111 LYS CA . 11113 1 1380 . 1 1 111 111 LYS CB C 13 31.944 0.300 . 1 . . . . 111 LYS CB . 11113 1 1381 . 1 1 111 111 LYS CD C 13 29.176 0.300 . 1 . . . . 111 LYS CD . 11113 1 1382 . 1 1 111 111 LYS CE C 13 41.880 0.300 . 1 . . . . 111 LYS CE . 11113 1 1383 . 1 1 111 111 LYS CG C 13 24.698 0.300 . 1 . . . . 111 LYS CG . 11113 1 1384 . 1 1 111 111 LYS N N 15 119.771 0.300 . 1 . . . . 111 LYS N . 11113 1 1385 . 1 1 112 112 SER H H 1 7.333 0.030 . 1 . . . . 112 SER H . 11113 1 1386 . 1 1 112 112 SER HA H 1 4.443 0.030 . 1 . . . . 112 SER HA . 11113 1 1387 . 1 1 112 112 SER HB2 H 1 3.990 0.030 . 2 . . . . 112 SER HB2 . 11113 1 1388 . 1 1 112 112 SER HB3 H 1 3.950 0.030 . 2 . . . . 112 SER HB3 . 11113 1 1389 . 1 1 112 112 SER C C 13 173.354 0.300 . 1 . . . . 112 SER C . 11113 1 1390 . 1 1 112 112 SER CA C 13 58.706 0.300 . 1 . . . . 112 SER CA . 11113 1 1391 . 1 1 112 112 SER CB C 13 63.728 0.300 . 1 . . . . 112 SER CB . 11113 1 1392 . 1 1 112 112 SER N N 15 112.091 0.300 . 1 . . . . 112 SER N . 11113 1 1393 . 1 1 113 113 ILE H H 1 7.803 0.030 . 1 . . . . 113 ILE H . 11113 1 1394 . 1 1 113 113 ILE HA H 1 4.312 0.030 . 1 . . . . 113 ILE HA . 11113 1 1395 . 1 1 113 113 ILE HB H 1 2.011 0.030 . 1 . . . . 113 ILE HB . 11113 1 1396 . 1 1 113 113 ILE HD11 H 1 1.258 0.030 . 1 . . . . 113 ILE HD1 . 11113 1 1397 . 1 1 113 113 ILE HD12 H 1 1.258 0.030 . 1 . . . . 113 ILE HD1 . 11113 1 1398 . 1 1 113 113 ILE HD13 H 1 1.258 0.030 . 1 . . . . 113 ILE HD1 . 11113 1 1399 . 1 1 113 113 ILE HG12 H 1 1.756 0.030 . 2 . . . . 113 ILE HG12 . 11113 1 1400 . 1 1 113 113 ILE HG13 H 1 1.237 0.030 . 2 . . . . 113 ILE HG13 . 11113 1 1401 . 1 1 113 113 ILE HG21 H 1 1.234 0.030 . 1 . . . . 113 ILE HG2 . 11113 1 1402 . 1 1 113 113 ILE HG22 H 1 1.234 0.030 . 1 . . . . 113 ILE HG2 . 11113 1 1403 . 1 1 113 113 ILE HG23 H 1 1.234 0.030 . 1 . . . . 113 ILE HG2 . 11113 1 1404 . 1 1 113 113 ILE C C 13 175.449 0.300 . 1 . . . . 113 ILE C . 11113 1 1405 . 1 1 113 113 ILE CA C 13 60.486 0.300 . 1 . . . . 113 ILE CA . 11113 1 1406 . 1 1 113 113 ILE CB C 13 40.475 0.300 . 1 . . . . 113 ILE CB . 11113 1 1407 . 1 1 113 113 ILE CD1 C 13 14.247 0.300 . 1 . . . . 113 ILE CD1 . 11113 1 1408 . 1 1 113 113 ILE CG1 C 13 27.438 0.300 . 1 . . . . 113 ILE CG1 . 11113 1 1409 . 1 1 113 113 ILE CG2 C 13 17.911 0.300 . 1 . . . . 113 ILE CG2 . 11113 1 1410 . 1 1 113 113 ILE N N 15 123.723 0.300 . 1 . . . . 113 ILE N . 11113 1 1411 . 1 1 114 114 GLU H H 1 8.920 0.030 . 1 . . . . 114 GLU H . 11113 1 1412 . 1 1 114 114 GLU HA H 1 4.719 0.030 . 1 . . . . 114 GLU HA . 11113 1 1413 . 1 1 114 114 GLU HB2 H 1 2.107 0.030 . 2 . . . . 114 GLU HB2 . 11113 1 1414 . 1 1 114 114 GLU HB3 H 1 2.061 0.030 . 2 . . . . 114 GLU HB3 . 11113 1 1415 . 1 1 114 114 GLU HG2 H 1 2.453 0.030 . 1 . . . . 114 GLU HG2 . 11113 1 1416 . 1 1 114 114 GLU HG3 H 1 2.453 0.030 . 1 . . . . 114 GLU HG3 . 11113 1 1417 . 1 1 114 114 GLU C C 13 174.731 0.300 . 1 . . . . 114 GLU C . 11113 1 1418 . 1 1 114 114 GLU CA C 13 54.644 0.300 . 1 . . . . 114 GLU CA . 11113 1 1419 . 1 1 114 114 GLU CB C 13 29.804 0.300 . 1 . . . . 114 GLU CB . 11113 1 1420 . 1 1 114 114 GLU CG C 13 35.887 0.300 . 1 . . . . 114 GLU CG . 11113 1 1421 . 1 1 114 114 GLU N N 15 129.547 0.300 . 1 . . . . 114 GLU N . 11113 1 1422 . 1 1 115 115 PRO HA H 1 4.900 0.030 . 1 . . . . 115 PRO HA . 11113 1 1423 . 1 1 115 115 PRO HB2 H 1 2.205 0.030 . 2 . . . . 115 PRO HB2 . 11113 1 1424 . 1 1 115 115 PRO HB3 H 1 2.094 0.030 . 2 . . . . 115 PRO HB3 . 11113 1 1425 . 1 1 115 115 PRO HD2 H 1 4.080 0.030 . 2 . . . . 115 PRO HD2 . 11113 1 1426 . 1 1 115 115 PRO HD3 H 1 3.857 0.030 . 2 . . . . 115 PRO HD3 . 11113 1 1427 . 1 1 115 115 PRO HG2 H 1 1.928 0.030 . 2 . . . . 115 PRO HG2 . 11113 1 1428 . 1 1 115 115 PRO C C 13 177.282 0.300 . 1 . . . . 115 PRO C . 11113 1 1429 . 1 1 115 115 PRO CA C 13 63.083 0.300 . 1 . . . . 115 PRO CA . 11113 1 1430 . 1 1 115 115 PRO CB C 13 33.037 0.300 . 1 . . . . 115 PRO CB . 11113 1 1431 . 1 1 115 115 PRO CD C 13 51.067 0.300 . 1 . . . . 115 PRO CD . 11113 1 1432 . 1 1 115 115 PRO CG C 13 27.311 0.300 . 1 . . . . 115 PRO CG . 11113 1 1433 . 1 1 116 116 VAL H H 1 8.947 0.030 . 1 . . . . 116 VAL H . 11113 1 1434 . 1 1 116 116 VAL HA H 1 4.277 0.030 . 1 . . . . 116 VAL HA . 11113 1 1435 . 1 1 116 116 VAL HB H 1 2.244 0.030 . 1 . . . . 116 VAL HB . 11113 1 1436 . 1 1 116 116 VAL HG11 H 1 1.185 0.030 . 1 . . . . 116 VAL HG1 . 11113 1 1437 . 1 1 116 116 VAL HG12 H 1 1.185 0.030 . 1 . . . . 116 VAL HG1 . 11113 1 1438 . 1 1 116 116 VAL HG13 H 1 1.185 0.030 . 1 . . . . 116 VAL HG1 . 11113 1 1439 . 1 1 116 116 VAL HG21 H 1 1.024 0.030 . 1 . . . . 116 VAL HG2 . 11113 1 1440 . 1 1 116 116 VAL HG22 H 1 1.024 0.030 . 1 . . . . 116 VAL HG2 . 11113 1 1441 . 1 1 116 116 VAL HG23 H 1 1.024 0.030 . 1 . . . . 116 VAL HG2 . 11113 1 1442 . 1 1 116 116 VAL C C 13 176.552 0.300 . 1 . . . . 116 VAL C . 11113 1 1443 . 1 1 116 116 VAL CA C 13 62.324 0.300 . 1 . . . . 116 VAL CA . 11113 1 1444 . 1 1 116 116 VAL CB C 13 33.194 0.300 . 1 . . . . 116 VAL CB . 11113 1 1445 . 1 1 116 116 VAL CG1 C 13 20.976 0.300 . 2 . . . . 116 VAL CG1 . 11113 1 1446 . 1 1 116 116 VAL CG2 C 13 21.623 0.300 . 2 . . . . 116 VAL CG2 . 11113 1 1447 . 1 1 116 116 VAL N N 15 119.329 0.300 . 1 . . . . 116 VAL N . 11113 1 1448 . 1 1 117 117 SER H H 1 8.412 0.030 . 1 . . . . 117 SER H . 11113 1 1449 . 1 1 117 117 SER HA H 1 4.569 0.030 . 1 . . . . 117 SER HA . 11113 1 1450 . 1 1 117 117 SER HB2 H 1 3.862 0.030 . 2 . . . . 117 SER HB2 . 11113 1 1451 . 1 1 117 117 SER CA C 13 58.344 0.300 . 1 . . . . 117 SER CA . 11113 1 1452 . 1 1 117 117 SER CB C 13 64.080 0.300 . 1 . . . . 117 SER CB . 11113 1 1453 . 1 1 117 117 SER N N 15 117.807 0.300 . 1 . . . . 117 SER N . 11113 1 1454 . 1 1 118 118 SER H H 1 8.112 0.030 . 1 . . . . 118 SER H . 11113 1 1455 . 1 1 118 118 SER HA H 1 4.475 0.030 . 1 . . . . 118 SER HA . 11113 1 1456 . 1 1 118 118 SER HB2 H 1 3.704 0.030 . 2 . . . . 118 SER HB2 . 11113 1 1457 . 1 1 118 118 SER C C 13 174.203 0.300 . 1 . . . . 118 SER C . 11113 1 1458 . 1 1 118 118 SER CA C 13 58.057 0.300 . 1 . . . . 118 SER CA . 11113 1 1459 . 1 1 118 118 SER CB C 13 64.055 0.300 . 1 . . . . 118 SER CB . 11113 1 1460 . 1 1 118 118 SER N N 15 116.326 0.300 . 1 . . . . 118 SER N . 11113 1 1461 . 1 1 119 119 TRP H H 1 8.060 0.030 . 1 . . . . 119 TRP H . 11113 1 1462 . 1 1 119 119 TRP HA H 1 4.520 0.030 . 1 . . . . 119 TRP HA . 11113 1 1463 . 1 1 119 119 TRP HB2 H 1 3.003 0.030 . 2 . . . . 119 TRP HB2 . 11113 1 1464 . 1 1 119 119 TRP HB3 H 1 2.935 0.030 . 2 . . . . 119 TRP HB3 . 11113 1 1465 . 1 1 119 119 TRP HD1 H 1 6.791 0.030 . 1 . . . . 119 TRP HD1 . 11113 1 1466 . 1 1 119 119 TRP HE1 H 1 9.432 0.030 . 1 . . . . 119 TRP HE1 . 11113 1 1467 . 1 1 119 119 TRP HE3 H 1 7.257 0.030 . 1 . . . . 119 TRP HE3 . 11113 1 1468 . 1 1 119 119 TRP HH2 H 1 6.854 0.030 . 1 . . . . 119 TRP HH2 . 11113 1 1469 . 1 1 119 119 TRP HZ2 H 1 7.007 0.030 . 1 . . . . 119 TRP HZ2 . 11113 1 1470 . 1 1 119 119 TRP HZ3 H 1 6.842 0.030 . 1 . . . . 119 TRP HZ3 . 11113 1 1471 . 1 1 119 119 TRP C C 13 175.732 0.300 . 1 . . . . 119 TRP C . 11113 1 1472 . 1 1 119 119 TRP CA C 13 57.220 0.300 . 1 . . . . 119 TRP CA . 11113 1 1473 . 1 1 119 119 TRP CB C 13 29.726 0.300 . 1 . . . . 119 TRP CB . 11113 1 1474 . 1 1 119 119 TRP CD1 C 13 126.213 0.300 . 1 . . . . 119 TRP CD1 . 11113 1 1475 . 1 1 119 119 TRP CE3 C 13 120.721 0.300 . 1 . . . . 119 TRP CE3 . 11113 1 1476 . 1 1 119 119 TRP CH2 C 13 124.176 0.300 . 1 . . . . 119 TRP CH2 . 11113 1 1477 . 1 1 119 119 TRP CZ2 C 13 114.320 0.300 . 1 . . . . 119 TRP CZ2 . 11113 1 1478 . 1 1 119 119 TRP CZ3 C 13 121.741 0.300 . 1 . . . . 119 TRP CZ3 . 11113 1 1479 . 1 1 119 119 TRP N N 15 123.004 0.300 . 1 . . . . 119 TRP N . 11113 1 1480 . 1 1 119 119 TRP NE1 N 15 128.444 0.300 . 1 . . . . 119 TRP NE1 . 11113 1 1481 . 1 1 120 120 PHE H H 1 7.773 0.030 . 1 . . . . 120 PHE H . 11113 1 1482 . 1 1 120 120 PHE HA H 1 4.556 0.030 . 1 . . . . 120 PHE HA . 11113 1 1483 . 1 1 120 120 PHE HB2 H 1 2.872 0.030 . 1 . . . . 120 PHE HB2 . 11113 1 1484 . 1 1 120 120 PHE HB3 H 1 2.872 0.030 . 1 . . . . 120 PHE HB3 . 11113 1 1485 . 1 1 120 120 PHE HD1 H 1 7.019 0.030 . 1 . . . . 120 PHE HD1 . 11113 1 1486 . 1 1 120 120 PHE HD2 H 1 7.019 0.030 . 1 . . . . 120 PHE HD2 . 11113 1 1487 . 1 1 120 120 PHE HE1 H 1 7.152 0.030 . 1 . . . . 120 PHE HE1 . 11113 1 1488 . 1 1 120 120 PHE HE2 H 1 7.152 0.030 . 1 . . . . 120 PHE HE2 . 11113 1 1489 . 1 1 120 120 PHE HZ H 1 7.085 0.030 . 1 . . . . 120 PHE HZ . 11113 1 1490 . 1 1 120 120 PHE C C 13 175.358 0.300 . 1 . . . . 120 PHE C . 11113 1 1491 . 1 1 120 120 PHE CA C 13 57.485 0.300 . 1 . . . . 120 PHE CA . 11113 1 1492 . 1 1 120 120 PHE CB C 13 39.617 0.300 . 1 . . . . 120 PHE CB . 11113 1 1493 . 1 1 120 120 PHE CD1 C 13 131.811 0.300 . 1 . . . . 120 PHE CD1 . 11113 1 1494 . 1 1 120 120 PHE CD2 C 13 131.811 0.300 . 1 . . . . 120 PHE CD2 . 11113 1 1495 . 1 1 120 120 PHE CE1 C 13 131.366 0.300 . 1 . . . . 120 PHE CE1 . 11113 1 1496 . 1 1 120 120 PHE CE2 C 13 131.366 0.300 . 1 . . . . 120 PHE CE2 . 11113 1 1497 . 1 1 120 120 PHE CZ C 13 129.735 0.300 . 1 . . . . 120 PHE CZ . 11113 1 1498 . 1 1 120 120 PHE N N 15 119.584 0.300 . 1 . . . . 120 PHE N . 11113 1 1499 . 1 1 121 121 SER H H 1 8.028 0.030 . 1 . . . . 121 SER H . 11113 1 1500 . 1 1 121 121 SER HA H 1 4.385 0.030 . 1 . . . . 121 SER HA . 11113 1 1501 . 1 1 121 121 SER HB2 H 1 3.822 0.030 . 2 . . . . 121 SER HB2 . 11113 1 1502 . 1 1 121 121 SER HB3 H 1 3.738 0.030 . 2 . . . . 121 SER HB3 . 11113 1 1503 . 1 1 121 121 SER C C 13 174.326 0.300 . 1 . . . . 121 SER C . 11113 1 1504 . 1 1 121 121 SER CA C 13 58.146 0.300 . 1 . . . . 121 SER CA . 11113 1 1505 . 1 1 121 121 SER CB C 13 63.993 0.300 . 1 . . . . 121 SER CB . 11113 1 1506 . 1 1 121 121 SER N N 15 117.088 0.300 . 1 . . . . 121 SER N . 11113 1 1507 . 1 1 122 122 GLY H H 1 7.767 0.030 . 1 . . . . 122 GLY H . 11113 1 1508 . 1 1 122 122 GLY HA2 H 1 4.029 0.030 . 2 . . . . 122 GLY HA2 . 11113 1 1509 . 1 1 122 122 GLY HA3 H 1 3.984 0.030 . 2 . . . . 122 GLY HA3 . 11113 1 1510 . 1 1 122 122 GLY C C 13 171.638 0.300 . 1 . . . . 122 GLY C . 11113 1 1511 . 1 1 122 122 GLY CA C 13 44.661 0.300 . 1 . . . . 122 GLY CA . 11113 1 1512 . 1 1 122 122 GLY N N 15 110.319 0.300 . 1 . . . . 122 GLY N . 11113 1 1513 . 1 1 123 123 PRO HA H 1 4.435 0.030 . 1 . . . . 123 PRO HA . 11113 1 1514 . 1 1 123 123 PRO HB2 H 1 2.242 0.030 . 2 . . . . 123 PRO HB2 . 11113 1 1515 . 1 1 123 123 PRO HB3 H 1 1.944 0.030 . 2 . . . . 123 PRO HB3 . 11113 1 1516 . 1 1 123 123 PRO HD2 H 1 3.577 0.030 . 2 . . . . 123 PRO HD2 . 11113 1 1517 . 1 1 123 123 PRO HD3 H 1 3.547 0.030 . 2 . . . . 123 PRO HD3 . 11113 1 1518 . 1 1 123 123 PRO HG2 H 1 1.958 0.030 . 2 . . . . 123 PRO HG2 . 11113 1 1519 . 1 1 123 123 PRO C C 13 177.343 0.300 . 1 . . . . 123 PRO C . 11113 1 1520 . 1 1 123 123 PRO CA C 13 63.260 0.300 . 1 . . . . 123 PRO CA . 11113 1 1521 . 1 1 123 123 PRO CB C 13 32.088 0.300 . 1 . . . . 123 PRO CB . 11113 1 1522 . 1 1 123 123 PRO CD C 13 49.781 0.300 . 1 . . . . 123 PRO CD . 11113 1 1523 . 1 1 123 123 PRO CG C 13 27.154 0.300 . 1 . . . . 123 PRO CG . 11113 1 1524 . 1 1 124 124 SER H H 1 8.486 0.030 . 1 . . . . 124 SER H . 11113 1 1525 . 1 1 124 124 SER HA H 1 4.436 0.030 . 1 . . . . 124 SER HA . 11113 1 1526 . 1 1 124 124 SER HB2 H 1 3.863 0.030 . 2 . . . . 124 SER HB2 . 11113 1 1527 . 1 1 124 124 SER C C 13 174.629 0.300 . 1 . . . . 124 SER C . 11113 1 1528 . 1 1 124 124 SER CA C 13 58.338 0.300 . 1 . . . . 124 SER CA . 11113 1 1529 . 1 1 124 124 SER CB C 13 63.793 0.300 . 1 . . . . 124 SER CB . 11113 1 1530 . 1 1 124 124 SER N N 15 116.251 0.300 . 1 . . . . 124 SER N . 11113 1 1531 . 1 1 125 125 SER H H 1 8.294 0.030 . 1 . . . . 125 SER H . 11113 1 1532 . 1 1 125 125 SER HA H 1 4.465 0.030 . 1 . . . . 125 SER HA . 11113 1 1533 . 1 1 125 125 SER HB2 H 1 3.853 0.030 . 2 . . . . 125 SER HB2 . 11113 1 1534 . 1 1 125 125 SER C C 13 173.951 0.300 . 1 . . . . 125 SER C . 11113 1 1535 . 1 1 125 125 SER CA C 13 58.353 0.300 . 1 . . . . 125 SER CA . 11113 1 1536 . 1 1 125 125 SER CB C 13 64.067 0.300 . 1 . . . . 125 SER CB . 11113 1 1537 . 1 1 125 125 SER N N 15 117.753 0.300 . 1 . . . . 125 SER N . 11113 1 1538 . 1 1 126 126 GLY H H 1 8.044 0.030 . 1 . . . . 126 GLY H . 11113 1 1539 . 1 1 126 126 GLY C C 13 178.978 0.300 . 1 . . . . 126 GLY C . 11113 1 1540 . 1 1 126 126 GLY CA C 13 46.193 0.300 . 1 . . . . 126 GLY CA . 11113 1 1541 . 1 1 126 126 GLY N N 15 116.826 0.300 . 1 . . . . 126 GLY N . 11113 1 stop_ save_