data_11270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11270 _Entry.Title ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human Hypothetical Protein FLJ35834 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 C. Zhao . . . 11270 2 T. Kigawa . . . 11270 3 K. Saito . . . 11270 4 S. Koshiba . . . 11270 5 M. Inoue . . . 11270 6 S. Yokoyama . . . 11270 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)' . 11270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 11270 '15N chemical shifts' 104 11270 '1H chemical shifts' 786 11270 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 . . 2011-08-18 2010-08-09 original author . 11270 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAF 'BMRB Entry Tracking System' 11270 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11270 _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 ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human Hypothetical Protein FLJ35834 ; _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 C. Zhao . . . 11270 1 2 T. Kigawa . . . 11270 1 3 K. Saito . . . 11270 1 4 S. Koshiba . . . 11270 1 5 M. Inoue . . . 11270 1 6 S. Yokoyama . . . 11270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11270 _Assembly.ID 1 _Assembly.Name 'FLJ35834 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11270 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 2daf . . . . . . 11270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11270 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-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 ; GSSGSSGQESVEDSLATVKV VLIPVGQEIVIPFKVDTILK YLKDHFSHLLGIPHSVLQIR YSGKILKNNETLVQHGVKPQ EIVQVEIFSTNPDLYPVRRI DGLTDVSQIITVSGPSSG ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2DAF . "Solution Structure Of The Novel Identified Ubiquitin-Like Domain In The Human Hypothetical Protein Flj35834" . . . . . 100.00 118 100.00 100.00 7.99e-76 . . . . 11270 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11270 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 . 11270 1 2 . SER . 11270 1 3 . SER . 11270 1 4 . GLY . 11270 1 5 . SER . 11270 1 6 . SER . 11270 1 7 . GLY . 11270 1 8 . GLN . 11270 1 9 . GLU . 11270 1 10 . SER . 11270 1 11 . VAL . 11270 1 12 . GLU . 11270 1 13 . ASP . 11270 1 14 . SER . 11270 1 15 . LEU . 11270 1 16 . ALA . 11270 1 17 . THR . 11270 1 18 . VAL . 11270 1 19 . LYS . 11270 1 20 . VAL . 11270 1 21 . VAL . 11270 1 22 . LEU . 11270 1 23 . ILE . 11270 1 24 . PRO . 11270 1 25 . VAL . 11270 1 26 . GLY . 11270 1 27 . GLN . 11270 1 28 . GLU . 11270 1 29 . ILE . 11270 1 30 . VAL . 11270 1 31 . ILE . 11270 1 32 . PRO . 11270 1 33 . PHE . 11270 1 34 . LYS . 11270 1 35 . VAL . 11270 1 36 . ASP . 11270 1 37 . THR . 11270 1 38 . ILE . 11270 1 39 . LEU . 11270 1 40 . LYS . 11270 1 41 . TYR . 11270 1 42 . LEU . 11270 1 43 . LYS . 11270 1 44 . ASP . 11270 1 45 . HIS . 11270 1 46 . PHE . 11270 1 47 . SER . 11270 1 48 . HIS . 11270 1 49 . LEU . 11270 1 50 . LEU . 11270 1 51 . GLY . 11270 1 52 . ILE . 11270 1 53 . PRO . 11270 1 54 . HIS . 11270 1 55 . SER . 11270 1 56 . VAL . 11270 1 57 . LEU . 11270 1 58 . GLN . 11270 1 59 . ILE . 11270 1 60 . ARG . 11270 1 61 . TYR . 11270 1 62 . SER . 11270 1 63 . GLY . 11270 1 64 . LYS . 11270 1 65 . ILE . 11270 1 66 . LEU . 11270 1 67 . LYS . 11270 1 68 . ASN . 11270 1 69 . ASN . 11270 1 70 . GLU . 11270 1 71 . THR . 11270 1 72 . LEU . 11270 1 73 . VAL . 11270 1 74 . GLN . 11270 1 75 . HIS . 11270 1 76 . GLY . 11270 1 77 . VAL . 11270 1 78 . LYS . 11270 1 79 . PRO . 11270 1 80 . GLN . 11270 1 81 . GLU . 11270 1 82 . ILE . 11270 1 83 . VAL . 11270 1 84 . GLN . 11270 1 85 . VAL . 11270 1 86 . GLU . 11270 1 87 . ILE . 11270 1 88 . PHE . 11270 1 89 . SER . 11270 1 90 . THR . 11270 1 91 . ASN . 11270 1 92 . PRO . 11270 1 93 . ASP . 11270 1 94 . LEU . 11270 1 95 . TYR . 11270 1 96 . PRO . 11270 1 97 . VAL . 11270 1 98 . ARG . 11270 1 99 . ARG . 11270 1 100 . ILE . 11270 1 101 . ASP . 11270 1 102 . GLY . 11270 1 103 . LEU . 11270 1 104 . THR . 11270 1 105 . ASP . 11270 1 106 . VAL . 11270 1 107 . SER . 11270 1 108 . GLN . 11270 1 109 . ILE . 11270 1 110 . ILE . 11270 1 111 . THR . 11270 1 112 . VAL . 11270 1 113 . SER . 11270 1 114 . GLY . 11270 1 115 . PRO . 11270 1 116 . SER . 11270 1 117 . SER . 11270 1 118 . GLY . 11270 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 11270 1 . SER 2 2 11270 1 . SER 3 3 11270 1 . GLY 4 4 11270 1 . SER 5 5 11270 1 . SER 6 6 11270 1 . GLY 7 7 11270 1 . GLN 8 8 11270 1 . GLU 9 9 11270 1 . SER 10 10 11270 1 . VAL 11 11 11270 1 . GLU 12 12 11270 1 . ASP 13 13 11270 1 . SER 14 14 11270 1 . LEU 15 15 11270 1 . ALA 16 16 11270 1 . THR 17 17 11270 1 . VAL 18 18 11270 1 . LYS 19 19 11270 1 . VAL 20 20 11270 1 . VAL 21 21 11270 1 . LEU 22 22 11270 1 . ILE 23 23 11270 1 . PRO 24 24 11270 1 . VAL 25 25 11270 1 . GLY 26 26 11270 1 . GLN 27 27 11270 1 . GLU 28 28 11270 1 . ILE 29 29 11270 1 . VAL 30 30 11270 1 . ILE 31 31 11270 1 . PRO 32 32 11270 1 . PHE 33 33 11270 1 . LYS 34 34 11270 1 . VAL 35 35 11270 1 . ASP 36 36 11270 1 . THR 37 37 11270 1 . ILE 38 38 11270 1 . LEU 39 39 11270 1 . LYS 40 40 11270 1 . TYR 41 41 11270 1 . LEU 42 42 11270 1 . LYS 43 43 11270 1 . ASP 44 44 11270 1 . HIS 45 45 11270 1 . PHE 46 46 11270 1 . SER 47 47 11270 1 . HIS 48 48 11270 1 . LEU 49 49 11270 1 . LEU 50 50 11270 1 . GLY 51 51 11270 1 . ILE 52 52 11270 1 . PRO 53 53 11270 1 . HIS 54 54 11270 1 . SER 55 55 11270 1 . VAL 56 56 11270 1 . LEU 57 57 11270 1 . GLN 58 58 11270 1 . ILE 59 59 11270 1 . ARG 60 60 11270 1 . TYR 61 61 11270 1 . SER 62 62 11270 1 . GLY 63 63 11270 1 . LYS 64 64 11270 1 . ILE 65 65 11270 1 . LEU 66 66 11270 1 . LYS 67 67 11270 1 . ASN 68 68 11270 1 . ASN 69 69 11270 1 . GLU 70 70 11270 1 . THR 71 71 11270 1 . LEU 72 72 11270 1 . VAL 73 73 11270 1 . GLN 74 74 11270 1 . HIS 75 75 11270 1 . GLY 76 76 11270 1 . VAL 77 77 11270 1 . LYS 78 78 11270 1 . PRO 79 79 11270 1 . GLN 80 80 11270 1 . GLU 81 81 11270 1 . ILE 82 82 11270 1 . VAL 83 83 11270 1 . GLN 84 84 11270 1 . VAL 85 85 11270 1 . GLU 86 86 11270 1 . ILE 87 87 11270 1 . PHE 88 88 11270 1 . SER 89 89 11270 1 . THR 90 90 11270 1 . ASN 91 91 11270 1 . PRO 92 92 11270 1 . ASP 93 93 11270 1 . LEU 94 94 11270 1 . TYR 95 95 11270 1 . PRO 96 96 11270 1 . VAL 97 97 11270 1 . ARG 98 98 11270 1 . ARG 99 99 11270 1 . ILE 100 100 11270 1 . ASP 101 101 11270 1 . GLY 102 102 11270 1 . LEU 103 103 11270 1 . THR 104 104 11270 1 . ASP 105 105 11270 1 . VAL 106 106 11270 1 . SER 107 107 11270 1 . GLN 108 108 11270 1 . ILE 109 109 11270 1 . ILE 110 110 11270 1 . THR 111 111 11270 1 . VAL 112 112 11270 1 . SER 113 113 11270 1 . GLY 114 114 11270 1 . PRO 115 115 11270 1 . SER 116 116 11270 1 . SER 117 117 11270 1 . GLY 118 118 11270 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 11270 _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 . . . . . . . . . . . . . . . . . . . . . 11270 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 11270 _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 . . . . . . . . . . . . . plasmid . . P050125-04 . . . . . . 11270 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11270 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.29mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 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 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.29 . . mM . . . . 11270 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11270 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11270 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11270 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11270 1 6 H2O . . . . . . solvent 90 . . % . . . . 11270 1 7 D2O . . . . . . solvent 10 . . % . . . . 11270 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 11270 _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 11270 1 pH 7.0 0.05 pH 11270 1 pressure 1 0.001 atm 11270 1 temperature 298.0 0.1 K 11270 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11270 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11270 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11270 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11270 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11270 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11270 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11270 _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.' . . 11270 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11270 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11270 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11270 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11270 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11270 _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.' . . 11270 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11270 5 'structure solution' 11270 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 11270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11270 _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 . 800 . . . 11270 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 11270 _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 . . . . . . . . . . . . . . . . 11270 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11270 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 11270 _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 . . . . . . . . . 11270 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11270 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11270 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 11270 _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 11270 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11270 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 . . 11270 1 2 $NMRPipe . . 11270 1 3 $NMRView . . 11270 1 4 $Kujira . . 11270 1 5 $CYANA . . 11270 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 7 7 GLY HA2 H 1 4.007 0.030 . 1 . . . . 7 GLY HA2 . 11270 1 2 . 1 1 7 7 GLY HA3 H 1 4.007 0.030 . 1 . . . . 7 GLY HA3 . 11270 1 3 . 1 1 7 7 GLY C C 13 173.983 0.300 . 1 . . . . 7 GLY C . 11270 1 4 . 1 1 7 7 GLY CA C 13 45.382 0.300 . 1 . . . . 7 GLY CA . 11270 1 5 . 1 1 8 8 GLN H H 1 8.202 0.030 . 1 . . . . 8 GLN H . 11270 1 6 . 1 1 8 8 GLN HA H 1 4.405 0.030 . 1 . . . . 8 GLN HA . 11270 1 7 . 1 1 8 8 GLN HB2 H 1 1.978 0.030 . 2 . . . . 8 GLN HB2 . 11270 1 8 . 1 1 8 8 GLN HB3 H 1 2.158 0.030 . 2 . . . . 8 GLN HB3 . 11270 1 9 . 1 1 8 8 GLN HG2 H 1 2.339 0.030 . 1 . . . . 8 GLN HG2 . 11270 1 10 . 1 1 8 8 GLN HG3 H 1 2.339 0.030 . 1 . . . . 8 GLN HG3 . 11270 1 11 . 1 1 8 8 GLN C C 13 175.168 0.300 . 1 . . . . 8 GLN C . 11270 1 12 . 1 1 8 8 GLN CA C 13 55.690 0.300 . 1 . . . . 8 GLN CA . 11270 1 13 . 1 1 8 8 GLN CB C 13 29.710 0.300 . 1 . . . . 8 GLN CB . 11270 1 14 . 1 1 8 8 GLN CG C 13 33.682 0.300 . 1 . . . . 8 GLN CG . 11270 1 15 . 1 1 8 8 GLN N N 15 120.035 0.300 . 1 . . . . 8 GLN N . 11270 1 16 . 1 1 9 9 GLU H H 1 8.146 0.030 . 1 . . . . 9 GLU H . 11270 1 17 . 1 1 9 9 GLU C C 13 181.272 0.300 . 1 . . . . 9 GLU C . 11270 1 18 . 1 1 9 9 GLU CA C 13 58.364 0.300 . 1 . . . . 9 GLU CA . 11270 1 19 . 1 1 9 9 GLU CB C 13 30.980 0.300 . 1 . . . . 9 GLU CB . 11270 1 20 . 1 1 9 9 GLU N N 15 127.609 0.300 . 1 . . . . 9 GLU N . 11270 1 21 . 1 1 11 11 VAL HA H 1 4.111 0.030 . 1 . . . . 11 VAL HA . 11270 1 22 . 1 1 11 11 VAL HB H 1 2.106 0.030 . 1 . . . . 11 VAL HB . 11270 1 23 . 1 1 11 11 VAL HG11 H 1 0.873 0.030 . 1 . . . . 11 VAL HG1 . 11270 1 24 . 1 1 11 11 VAL HG12 H 1 0.873 0.030 . 1 . . . . 11 VAL HG1 . 11270 1 25 . 1 1 11 11 VAL HG13 H 1 0.873 0.030 . 1 . . . . 11 VAL HG1 . 11270 1 26 . 1 1 11 11 VAL C C 13 176.523 0.300 . 1 . . . . 11 VAL C . 11270 1 27 . 1 1 11 11 VAL CA C 13 63.324 0.300 . 1 . . . . 11 VAL CA . 11270 1 28 . 1 1 11 11 VAL CB C 13 32.424 0.300 . 1 . . . . 11 VAL CB . 11270 1 29 . 1 1 11 11 VAL CG1 C 13 20.969 0.300 . 2 . . . . 11 VAL CG1 . 11270 1 30 . 1 1 12 12 GLU H H 1 8.630 0.030 . 1 . . . . 12 GLU H . 11270 1 31 . 1 1 12 12 GLU HA H 1 4.238 0.030 . 1 . . . . 12 GLU HA . 11270 1 32 . 1 1 12 12 GLU HB2 H 1 2.049 0.030 . 2 . . . . 12 GLU HB2 . 11270 1 33 . 1 1 12 12 GLU HB3 H 1 1.938 0.030 . 2 . . . . 12 GLU HB3 . 11270 1 34 . 1 1 12 12 GLU HG2 H 1 2.256 0.030 . 1 . . . . 12 GLU HG2 . 11270 1 35 . 1 1 12 12 GLU HG3 H 1 2.256 0.030 . 1 . . . . 12 GLU HG3 . 11270 1 36 . 1 1 12 12 GLU C C 13 176.523 0.300 . 1 . . . . 12 GLU C . 11270 1 37 . 1 1 12 12 GLU CA C 13 57.291 0.300 . 1 . . . . 12 GLU CA . 11270 1 38 . 1 1 12 12 GLU CB C 13 29.823 0.300 . 1 . . . . 12 GLU CB . 11270 1 39 . 1 1 12 12 GLU CG C 13 36.406 0.300 . 1 . . . . 12 GLU CG . 11270 1 40 . 1 1 12 12 GLU N N 15 122.923 0.300 . 1 . . . . 12 GLU N . 11270 1 41 . 1 1 13 13 ASP H H 1 8.059 0.030 . 1 . . . . 13 ASP H . 11270 1 42 . 1 1 13 13 ASP HA H 1 4.594 0.030 . 1 . . . . 13 ASP HA . 11270 1 43 . 1 1 13 13 ASP HB2 H 1 2.697 0.030 . 2 . . . . 13 ASP HB2 . 11270 1 44 . 1 1 13 13 ASP HB3 H 1 2.732 0.030 . 2 . . . . 13 ASP HB3 . 11270 1 45 . 1 1 13 13 ASP C C 13 176.497 0.300 . 1 . . . . 13 ASP C . 11270 1 46 . 1 1 13 13 ASP CA C 13 55.496 0.300 . 1 . . . . 13 ASP CA . 11270 1 47 . 1 1 13 13 ASP CB C 13 41.386 0.300 . 1 . . . . 13 ASP CB . 11270 1 48 . 1 1 13 13 ASP N N 15 120.685 0.300 . 1 . . . . 13 ASP N . 11270 1 49 . 1 1 14 14 SER H H 1 8.331 0.030 . 1 . . . . 14 SER H . 11270 1 50 . 1 1 14 14 SER HA H 1 4.487 0.030 . 1 . . . . 14 SER HA . 11270 1 51 . 1 1 14 14 SER HB2 H 1 3.898 0.030 . 2 . . . . 14 SER HB2 . 11270 1 52 . 1 1 14 14 SER HB3 H 1 4.008 0.030 . 2 . . . . 14 SER HB3 . 11270 1 53 . 1 1 14 14 SER C C 13 173.620 0.300 . 1 . . . . 14 SER C . 11270 1 54 . 1 1 14 14 SER CA C 13 58.082 0.300 . 1 . . . . 14 SER CA . 11270 1 55 . 1 1 14 14 SER CB C 13 63.879 0.300 . 1 . . . . 14 SER CB . 11270 1 56 . 1 1 14 14 SER N N 15 113.807 0.300 . 1 . . . . 14 SER N . 11270 1 57 . 1 1 15 15 LEU H H 1 7.923 0.030 . 1 . . . . 15 LEU H . 11270 1 58 . 1 1 15 15 LEU HA H 1 4.421 0.030 . 1 . . . . 15 LEU HA . 11270 1 59 . 1 1 15 15 LEU HB2 H 1 1.348 0.030 . 2 . . . . 15 LEU HB2 . 11270 1 60 . 1 1 15 15 LEU HB3 H 1 1.777 0.030 . 2 . . . . 15 LEU HB3 . 11270 1 61 . 1 1 15 15 LEU HD11 H 1 0.875 0.030 . 1 . . . . 15 LEU HD1 . 11270 1 62 . 1 1 15 15 LEU HD12 H 1 0.875 0.030 . 1 . . . . 15 LEU HD1 . 11270 1 63 . 1 1 15 15 LEU HD13 H 1 0.875 0.030 . 1 . . . . 15 LEU HD1 . 11270 1 64 . 1 1 15 15 LEU HD21 H 1 0.685 0.030 . 1 . . . . 15 LEU HD2 . 11270 1 65 . 1 1 15 15 LEU HD22 H 1 0.685 0.030 . 1 . . . . 15 LEU HD2 . 11270 1 66 . 1 1 15 15 LEU HD23 H 1 0.685 0.030 . 1 . . . . 15 LEU HD2 . 11270 1 67 . 1 1 15 15 LEU HG H 1 1.638 0.030 . 1 . . . . 15 LEU HG . 11270 1 68 . 1 1 15 15 LEU C C 13 177.368 0.300 . 1 . . . . 15 LEU C . 11270 1 69 . 1 1 15 15 LEU CA C 13 55.866 0.300 . 1 . . . . 15 LEU CA . 11270 1 70 . 1 1 15 15 LEU CB C 13 43.444 0.300 . 1 . . . . 15 LEU CB . 11270 1 71 . 1 1 15 15 LEU CD1 C 13 25.528 0.300 . 2 . . . . 15 LEU CD1 . 11270 1 72 . 1 1 15 15 LEU CD2 C 13 23.730 0.300 . 2 . . . . 15 LEU CD2 . 11270 1 73 . 1 1 15 15 LEU CG C 13 26.644 0.300 . 1 . . . . 15 LEU CG . 11270 1 74 . 1 1 15 15 LEU N N 15 122.138 0.300 . 1 . . . . 15 LEU N . 11270 1 75 . 1 1 16 16 ALA H H 1 8.829 0.030 . 1 . . . . 16 ALA H . 11270 1 76 . 1 1 16 16 ALA HA H 1 4.630 0.030 . 1 . . . . 16 ALA HA . 11270 1 77 . 1 1 16 16 ALA HB1 H 1 1.300 0.030 . 1 . . . . 16 ALA HB . 11270 1 78 . 1 1 16 16 ALA HB2 H 1 1.300 0.030 . 1 . . . . 16 ALA HB . 11270 1 79 . 1 1 16 16 ALA HB3 H 1 1.300 0.030 . 1 . . . . 16 ALA HB . 11270 1 80 . 1 1 16 16 ALA C C 13 175.941 0.300 . 1 . . . . 16 ALA C . 11270 1 81 . 1 1 16 16 ALA CA C 13 50.940 0.300 . 1 . . . . 16 ALA CA . 11270 1 82 . 1 1 16 16 ALA CB C 13 20.995 0.300 . 1 . . . . 16 ALA CB . 11270 1 83 . 1 1 16 16 ALA N N 15 125.836 0.300 . 1 . . . . 16 ALA N . 11270 1 84 . 1 1 17 17 THR H H 1 8.628 0.030 . 1 . . . . 17 THR H . 11270 1 85 . 1 1 17 17 THR HA H 1 4.291 0.030 . 1 . . . . 17 THR HA . 11270 1 86 . 1 1 17 17 THR HB H 1 4.000 0.030 . 1 . . . . 17 THR HB . 11270 1 87 . 1 1 17 17 THR HG21 H 1 1.026 0.030 . 1 . . . . 17 THR HG2 . 11270 1 88 . 1 1 17 17 THR HG22 H 1 1.026 0.030 . 1 . . . . 17 THR HG2 . 11270 1 89 . 1 1 17 17 THR HG23 H 1 1.026 0.030 . 1 . . . . 17 THR HG2 . 11270 1 90 . 1 1 17 17 THR C C 13 172.194 0.300 . 1 . . . . 17 THR C . 11270 1 91 . 1 1 17 17 THR CA C 13 63.324 0.300 . 1 . . . . 17 THR CA . 11270 1 92 . 1 1 17 17 THR CB C 13 69.424 0.300 . 1 . . . . 17 THR CB . 11270 1 93 . 1 1 17 17 THR CG2 C 13 22.075 0.300 . 1 . . . . 17 THR CG2 . 11270 1 94 . 1 1 17 17 THR N N 15 117.895 0.300 . 1 . . . . 17 THR N . 11270 1 95 . 1 1 18 18 VAL H H 1 8.740 0.030 . 1 . . . . 18 VAL H . 11270 1 96 . 1 1 18 18 VAL HA H 1 4.520 0.030 . 1 . . . . 18 VAL HA . 11270 1 97 . 1 1 18 18 VAL HB H 1 2.267 0.030 . 1 . . . . 18 VAL HB . 11270 1 98 . 1 1 18 18 VAL HG11 H 1 0.620 0.030 . 1 . . . . 18 VAL HG1 . 11270 1 99 . 1 1 18 18 VAL HG12 H 1 0.620 0.030 . 1 . . . . 18 VAL HG1 . 11270 1 100 . 1 1 18 18 VAL HG13 H 1 0.620 0.030 . 1 . . . . 18 VAL HG1 . 11270 1 101 . 1 1 18 18 VAL HG21 H 1 0.704 0.030 . 1 . . . . 18 VAL HG2 . 11270 1 102 . 1 1 18 18 VAL HG22 H 1 0.704 0.030 . 1 . . . . 18 VAL HG2 . 11270 1 103 . 1 1 18 18 VAL HG23 H 1 0.704 0.030 . 1 . . . . 18 VAL HG2 . 11270 1 104 . 1 1 18 18 VAL C C 13 174.346 0.300 . 1 . . . . 18 VAL C . 11270 1 105 . 1 1 18 18 VAL CA C 13 60.967 0.300 . 1 . . . . 18 VAL CA . 11270 1 106 . 1 1 18 18 VAL CB C 13 31.930 0.300 . 1 . . . . 18 VAL CB . 11270 1 107 . 1 1 18 18 VAL CG1 C 13 22.785 0.300 . 2 . . . . 18 VAL CG1 . 11270 1 108 . 1 1 18 18 VAL CG2 C 13 22.131 0.300 . 2 . . . . 18 VAL CG2 . 11270 1 109 . 1 1 18 18 VAL N N 15 127.665 0.300 . 1 . . . . 18 VAL N . 11270 1 110 . 1 1 19 19 LYS H H 1 9.372 0.030 . 1 . . . . 19 LYS H . 11270 1 111 . 1 1 19 19 LYS HA H 1 4.598 0.030 . 1 . . . . 19 LYS HA . 11270 1 112 . 1 1 19 19 LYS HB2 H 1 1.667 0.030 . 1 . . . . 19 LYS HB2 . 11270 1 113 . 1 1 19 19 LYS HB3 H 1 1.667 0.030 . 1 . . . . 19 LYS HB3 . 11270 1 114 . 1 1 19 19 LYS HD2 H 1 1.617 0.030 . 1 . . . . 19 LYS HD2 . 11270 1 115 . 1 1 19 19 LYS HD3 H 1 1.617 0.030 . 1 . . . . 19 LYS HD3 . 11270 1 116 . 1 1 19 19 LYS HE2 H 1 2.775 0.030 . 2 . . . . 19 LYS HE2 . 11270 1 117 . 1 1 19 19 LYS HE3 H 1 2.802 0.030 . 2 . . . . 19 LYS HE3 . 11270 1 118 . 1 1 19 19 LYS HG2 H 1 1.166 0.030 . 2 . . . . 19 LYS HG2 . 11270 1 119 . 1 1 19 19 LYS HG3 H 1 1.296 0.030 . 2 . . . . 19 LYS HG3 . 11270 1 120 . 1 1 19 19 LYS C C 13 174.225 0.300 . 1 . . . . 19 LYS C . 11270 1 121 . 1 1 19 19 LYS CA C 13 55.479 0.300 . 1 . . . . 19 LYS CA . 11270 1 122 . 1 1 19 19 LYS CB C 13 32.588 0.300 . 1 . . . . 19 LYS CB . 11270 1 123 . 1 1 19 19 LYS CD C 13 29.524 0.300 . 1 . . . . 19 LYS CD . 11270 1 124 . 1 1 19 19 LYS CE C 13 41.856 0.300 . 1 . . . . 19 LYS CE . 11270 1 125 . 1 1 19 19 LYS CG C 13 25.234 0.300 . 1 . . . . 19 LYS CG . 11270 1 126 . 1 1 19 19 LYS N N 15 128.654 0.300 . 1 . . . . 19 LYS N . 11270 1 127 . 1 1 20 20 VAL H H 1 9.262 0.030 . 1 . . . . 20 VAL H . 11270 1 128 . 1 1 20 20 VAL HA H 1 4.215 0.030 . 1 . . . . 20 VAL HA . 11270 1 129 . 1 1 20 20 VAL HB H 1 2.105 0.030 . 1 . . . . 20 VAL HB . 11270 1 130 . 1 1 20 20 VAL HG11 H 1 0.104 0.030 . 1 . . . . 20 VAL HG1 . 11270 1 131 . 1 1 20 20 VAL HG12 H 1 0.104 0.030 . 1 . . . . 20 VAL HG1 . 11270 1 132 . 1 1 20 20 VAL HG13 H 1 0.104 0.030 . 1 . . . . 20 VAL HG1 . 11270 1 133 . 1 1 20 20 VAL HG21 H 1 0.663 0.030 . 1 . . . . 20 VAL HG2 . 11270 1 134 . 1 1 20 20 VAL HG22 H 1 0.663 0.030 . 1 . . . . 20 VAL HG2 . 11270 1 135 . 1 1 20 20 VAL HG23 H 1 0.663 0.030 . 1 . . . . 20 VAL HG2 . 11270 1 136 . 1 1 20 20 VAL C C 13 175.216 0.300 . 1 . . . . 20 VAL C . 11270 1 137 . 1 1 20 20 VAL CA C 13 61.460 0.300 . 1 . . . . 20 VAL CA . 11270 1 138 . 1 1 20 20 VAL CB C 13 32.320 0.300 . 1 . . . . 20 VAL CB . 11270 1 139 . 1 1 20 20 VAL CG1 C 13 21.081 0.300 . 2 . . . . 20 VAL CG1 . 11270 1 140 . 1 1 20 20 VAL CG2 C 13 21.196 0.300 . 2 . . . . 20 VAL CG2 . 11270 1 141 . 1 1 20 20 VAL N N 15 127.314 0.300 . 1 . . . . 20 VAL N . 11270 1 142 . 1 1 21 21 VAL H H 1 8.882 0.030 . 1 . . . . 21 VAL H . 11270 1 143 . 1 1 21 21 VAL HA H 1 4.663 0.030 . 1 . . . . 21 VAL HA . 11270 1 144 . 1 1 21 21 VAL HB H 1 1.989 0.030 . 1 . . . . 21 VAL HB . 11270 1 145 . 1 1 21 21 VAL HG11 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 11270 1 146 . 1 1 21 21 VAL HG12 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 11270 1 147 . 1 1 21 21 VAL HG13 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 11270 1 148 . 1 1 21 21 VAL HG21 H 1 0.906 0.030 . 1 . . . . 21 VAL HG2 . 11270 1 149 . 1 1 21 21 VAL HG22 H 1 0.906 0.030 . 1 . . . . 21 VAL HG2 . 11270 1 150 . 1 1 21 21 VAL HG23 H 1 0.906 0.030 . 1 . . . . 21 VAL HG2 . 11270 1 151 . 1 1 21 21 VAL C C 13 175.748 0.300 . 1 . . . . 21 VAL C . 11270 1 152 . 1 1 21 21 VAL CA C 13 61.178 0.300 . 1 . . . . 21 VAL CA . 11270 1 153 . 1 1 21 21 VAL CB C 13 33.228 0.300 . 1 . . . . 21 VAL CB . 11270 1 154 . 1 1 21 21 VAL CG1 C 13 20.969 0.300 . 2 . . . . 21 VAL CG1 . 11270 1 155 . 1 1 21 21 VAL CG2 C 13 21.423 0.300 . 2 . . . . 21 VAL CG2 . 11270 1 156 . 1 1 21 21 VAL N N 15 127.130 0.300 . 1 . . . . 21 VAL N . 11270 1 157 . 1 1 22 22 LEU H H 1 8.648 0.030 . 1 . . . . 22 LEU H . 11270 1 158 . 1 1 22 22 LEU HA H 1 4.490 0.030 . 1 . . . . 22 LEU HA . 11270 1 159 . 1 1 22 22 LEU HB2 H 1 1.755 0.030 . 2 . . . . 22 LEU HB2 . 11270 1 160 . 1 1 22 22 LEU HB3 H 1 1.208 0.030 . 2 . . . . 22 LEU HB3 . 11270 1 161 . 1 1 22 22 LEU HD11 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 11270 1 162 . 1 1 22 22 LEU HD12 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 11270 1 163 . 1 1 22 22 LEU HD13 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 11270 1 164 . 1 1 22 22 LEU HD21 H 1 0.725 0.030 . 1 . . . . 22 LEU HD2 . 11270 1 165 . 1 1 22 22 LEU HD22 H 1 0.725 0.030 . 1 . . . . 22 LEU HD2 . 11270 1 166 . 1 1 22 22 LEU HD23 H 1 0.725 0.030 . 1 . . . . 22 LEU HD2 . 11270 1 167 . 1 1 22 22 LEU HG H 1 1.633 0.030 . 1 . . . . 22 LEU HG . 11270 1 168 . 1 1 22 22 LEU C C 13 175.820 0.300 . 1 . . . . 22 LEU C . 11270 1 169 . 1 1 22 22 LEU CA C 13 54.071 0.300 . 1 . . . . 22 LEU CA . 11270 1 170 . 1 1 22 22 LEU CB C 13 42.291 0.300 . 1 . . . . 22 LEU CB . 11270 1 171 . 1 1 22 22 LEU CD1 C 13 25.988 0.300 . 2 . . . . 22 LEU CD1 . 11270 1 172 . 1 1 22 22 LEU CD2 C 13 23.920 0.300 . 2 . . . . 22 LEU CD2 . 11270 1 173 . 1 1 22 22 LEU CG C 13 27.026 0.300 . 1 . . . . 22 LEU CG . 11270 1 174 . 1 1 22 22 LEU N N 15 126.682 0.300 . 1 . . . . 22 LEU N . 11270 1 175 . 1 1 23 23 ILE H H 1 8.833 0.030 . 1 . . . . 23 ILE H . 11270 1 176 . 1 1 23 23 ILE HA H 1 4.647 0.030 . 1 . . . . 23 ILE HA . 11270 1 177 . 1 1 23 23 ILE HB H 1 2.239 0.030 . 1 . . . . 23 ILE HB . 11270 1 178 . 1 1 23 23 ILE HD11 H 1 0.703 0.030 . 1 . . . . 23 ILE HD1 . 11270 1 179 . 1 1 23 23 ILE HD12 H 1 0.703 0.030 . 1 . . . . 23 ILE HD1 . 11270 1 180 . 1 1 23 23 ILE HD13 H 1 0.703 0.030 . 1 . . . . 23 ILE HD1 . 11270 1 181 . 1 1 23 23 ILE HG12 H 1 1.576 0.030 . 2 . . . . 23 ILE HG12 . 11270 1 182 . 1 1 23 23 ILE HG13 H 1 1.364 0.030 . 2 . . . . 23 ILE HG13 . 11270 1 183 . 1 1 23 23 ILE HG21 H 1 0.853 0.030 . 1 . . . . 23 ILE HG2 . 11270 1 184 . 1 1 23 23 ILE HG22 H 1 0.853 0.030 . 1 . . . . 23 ILE HG2 . 11270 1 185 . 1 1 23 23 ILE HG23 H 1 0.853 0.030 . 1 . . . . 23 ILE HG2 . 11270 1 186 . 1 1 23 23 ILE C C 13 177.032 0.300 . 1 . . . . 23 ILE C . 11270 1 187 . 1 1 23 23 ILE CA C 13 56.464 0.300 . 1 . . . . 23 ILE CA . 11270 1 188 . 1 1 23 23 ILE CB C 13 38.903 0.300 . 1 . . . . 23 ILE CB . 11270 1 189 . 1 1 23 23 ILE CD1 C 13 10.927 0.300 . 1 . . . . 23 ILE CD1 . 11270 1 190 . 1 1 23 23 ILE CG1 C 13 26.644 0.300 . 1 . . . . 23 ILE CG1 . 11270 1 191 . 1 1 23 23 ILE CG2 C 13 16.203 0.300 . 1 . . . . 23 ILE CG2 . 11270 1 192 . 1 1 23 23 ILE N N 15 127.321 0.300 . 1 . . . . 23 ILE N . 11270 1 193 . 1 1 24 24 PRO HA H 1 4.880 0.030 . 1 . . . . 24 PRO HA . 11270 1 194 . 1 1 24 24 PRO HB2 H 1 2.092 0.030 . 2 . . . . 24 PRO HB2 . 11270 1 195 . 1 1 24 24 PRO HB3 H 1 2.407 0.030 . 2 . . . . 24 PRO HB3 . 11270 1 196 . 1 1 24 24 PRO HD2 H 1 3.729 0.030 . 1 . . . . 24 PRO HD2 . 11270 1 197 . 1 1 24 24 PRO HD3 H 1 3.729 0.030 . 1 . . . . 24 PRO HD3 . 11270 1 198 . 1 1 24 24 PRO HG2 H 1 1.768 0.030 . 2 . . . . 24 PRO HG2 . 11270 1 199 . 1 1 24 24 PRO HG3 H 1 2.131 0.030 . 2 . . . . 24 PRO HG3 . 11270 1 200 . 1 1 24 24 PRO C C 13 176.618 0.300 . 1 . . . . 24 PRO C . 11270 1 201 . 1 1 24 24 PRO CA C 13 64.450 0.300 . 1 . . . . 24 PRO CA . 11270 1 202 . 1 1 24 24 PRO CB C 13 33.575 0.300 . 1 . . . . 24 PRO CB . 11270 1 203 . 1 1 24 24 PRO CD C 13 49.957 0.300 . 1 . . . . 24 PRO CD . 11270 1 204 . 1 1 24 24 PRO CG C 13 24.506 0.300 . 1 . . . . 24 PRO CG . 11270 1 205 . 1 1 25 25 VAL H H 1 6.852 0.030 . 1 . . . . 25 VAL H . 11270 1 206 . 1 1 25 25 VAL HA H 1 4.064 0.030 . 1 . . . . 25 VAL HA . 11270 1 207 . 1 1 25 25 VAL HB H 1 2.231 0.030 . 1 . . . . 25 VAL HB . 11270 1 208 . 1 1 25 25 VAL HG11 H 1 1.034 0.030 . 1 . . . . 25 VAL HG1 . 11270 1 209 . 1 1 25 25 VAL HG12 H 1 1.034 0.030 . 1 . . . . 25 VAL HG1 . 11270 1 210 . 1 1 25 25 VAL HG13 H 1 1.034 0.030 . 1 . . . . 25 VAL HG1 . 11270 1 211 . 1 1 25 25 VAL HG21 H 1 0.868 0.030 . 1 . . . . 25 VAL HG2 . 11270 1 212 . 1 1 25 25 VAL HG22 H 1 0.868 0.030 . 1 . . . . 25 VAL HG2 . 11270 1 213 . 1 1 25 25 VAL HG23 H 1 0.868 0.030 . 1 . . . . 25 VAL HG2 . 11270 1 214 . 1 1 25 25 VAL C C 13 176.739 0.300 . 1 . . . . 25 VAL C . 11270 1 215 . 1 1 25 25 VAL CA C 13 63.922 0.300 . 1 . . . . 25 VAL CA . 11270 1 216 . 1 1 25 25 VAL CB C 13 31.930 0.300 . 1 . . . . 25 VAL CB . 11270 1 217 . 1 1 25 25 VAL CG1 C 13 21.992 0.300 . 2 . . . . 25 VAL CG1 . 11270 1 218 . 1 1 25 25 VAL CG2 C 13 20.969 0.300 . 2 . . . . 25 VAL CG2 . 11270 1 219 . 1 1 25 25 VAL N N 15 117.833 0.300 . 1 . . . . 25 VAL N . 11270 1 220 . 1 1 26 26 GLY H H 1 9.045 0.030 . 1 . . . . 26 GLY H . 11270 1 221 . 1 1 26 26 GLY HA2 H 1 3.517 0.030 . 2 . . . . 26 GLY HA2 . 11270 1 222 . 1 1 26 26 GLY HA3 H 1 4.133 0.030 . 2 . . . . 26 GLY HA3 . 11270 1 223 . 1 1 26 26 GLY C C 13 173.645 0.300 . 1 . . . . 26 GLY C . 11270 1 224 . 1 1 26 26 GLY CA C 13 46.015 0.300 . 1 . . . . 26 GLY CA . 11270 1 225 . 1 1 26 26 GLY N N 15 108.573 0.300 . 1 . . . . 26 GLY N . 11270 1 226 . 1 1 27 27 GLN H H 1 6.391 0.030 . 1 . . . . 27 GLN H . 11270 1 227 . 1 1 27 27 GLN HA H 1 4.339 0.030 . 1 . . . . 27 GLN HA . 11270 1 228 . 1 1 27 27 GLN HB2 H 1 1.965 0.030 . 2 . . . . 27 GLN HB2 . 11270 1 229 . 1 1 27 27 GLN HB3 H 1 1.804 0.030 . 2 . . . . 27 GLN HB3 . 11270 1 230 . 1 1 27 27 GLN HE21 H 1 7.207 0.030 . 2 . . . . 27 GLN HE21 . 11270 1 231 . 1 1 27 27 GLN HE22 H 1 7.387 0.030 . 2 . . . . 27 GLN HE22 . 11270 1 232 . 1 1 27 27 GLN HG2 H 1 2.495 0.030 . 2 . . . . 27 GLN HG2 . 11270 1 233 . 1 1 27 27 GLN HG3 H 1 2.152 0.030 . 2 . . . . 27 GLN HG3 . 11270 1 234 . 1 1 27 27 GLN C C 13 173.137 0.300 . 1 . . . . 27 GLN C . 11270 1 235 . 1 1 27 27 GLN CA C 13 55.725 0.300 . 1 . . . . 27 GLN CA . 11270 1 236 . 1 1 27 27 GLN CB C 13 30.504 0.300 . 1 . . . . 27 GLN CB . 11270 1 237 . 1 1 27 27 GLN CG C 13 33.228 0.300 . 1 . . . . 27 GLN CG . 11270 1 238 . 1 1 27 27 GLN N N 15 120.124 0.300 . 1 . . . . 27 GLN N . 11270 1 239 . 1 1 27 27 GLN NE2 N 15 107.488 0.300 . 1 . . . . 27 GLN NE2 . 11270 1 240 . 1 1 28 28 GLU H H 1 8.649 0.030 . 1 . . . . 28 GLU H . 11270 1 241 . 1 1 28 28 GLU HA H 1 5.503 0.030 . 1 . . . . 28 GLU HA . 11270 1 242 . 1 1 28 28 GLU HB2 H 1 1.858 0.030 . 2 . . . . 28 GLU HB2 . 11270 1 243 . 1 1 28 28 GLU HB3 H 1 1.918 0.030 . 2 . . . . 28 GLU HB3 . 11270 1 244 . 1 1 28 28 GLU HG2 H 1 1.927 0.030 . 2 . . . . 28 GLU HG2 . 11270 1 245 . 1 1 28 28 GLU HG3 H 1 2.140 0.030 . 2 . . . . 28 GLU HG3 . 11270 1 246 . 1 1 28 28 GLU C C 13 175.941 0.300 . 1 . . . . 28 GLU C . 11270 1 247 . 1 1 28 28 GLU CA C 13 54.458 0.300 . 1 . . . . 28 GLU CA . 11270 1 248 . 1 1 28 28 GLU CB C 13 32.506 0.300 . 1 . . . . 28 GLU CB . 11270 1 249 . 1 1 28 28 GLU CG C 13 37.315 0.300 . 1 . . . . 28 GLU CG . 11270 1 250 . 1 1 28 28 GLU N N 15 126.633 0.300 . 1 . . . . 28 GLU N . 11270 1 251 . 1 1 29 29 ILE H H 1 9.588 0.030 . 1 . . . . 29 ILE H . 11270 1 252 . 1 1 29 29 ILE HA H 1 4.458 0.030 . 1 . . . . 29 ILE HA . 11270 1 253 . 1 1 29 29 ILE HB H 1 1.894 0.030 . 1 . . . . 29 ILE HB . 11270 1 254 . 1 1 29 29 ILE HD11 H 1 0.937 0.030 . 1 . . . . 29 ILE HD1 . 11270 1 255 . 1 1 29 29 ILE HD12 H 1 0.937 0.030 . 1 . . . . 29 ILE HD1 . 11270 1 256 . 1 1 29 29 ILE HD13 H 1 0.937 0.030 . 1 . . . . 29 ILE HD1 . 11270 1 257 . 1 1 29 29 ILE HG12 H 1 1.508 0.030 . 2 . . . . 29 ILE HG12 . 11270 1 258 . 1 1 29 29 ILE HG13 H 1 1.335 0.030 . 2 . . . . 29 ILE HG13 . 11270 1 259 . 1 1 29 29 ILE HG21 H 1 1.041 0.030 . 1 . . . . 29 ILE HG2 . 11270 1 260 . 1 1 29 29 ILE HG22 H 1 1.041 0.030 . 1 . . . . 29 ILE HG2 . 11270 1 261 . 1 1 29 29 ILE HG23 H 1 1.041 0.030 . 1 . . . . 29 ILE HG2 . 11270 1 262 . 1 1 29 29 ILE C C 13 174.176 0.300 . 1 . . . . 29 ILE C . 11270 1 263 . 1 1 29 29 ILE CA C 13 60.299 0.300 . 1 . . . . 29 ILE CA . 11270 1 264 . 1 1 29 29 ILE CB C 13 41.222 0.300 . 1 . . . . 29 ILE CB . 11270 1 265 . 1 1 29 29 ILE CD1 C 13 14.129 0.300 . 1 . . . . 29 ILE CD1 . 11270 1 266 . 1 1 29 29 ILE CG1 C 13 28.234 0.300 . 1 . . . . 29 ILE CG1 . 11270 1 267 . 1 1 29 29 ILE CG2 C 13 18.350 0.300 . 1 . . . . 29 ILE CG2 . 11270 1 268 . 1 1 29 29 ILE N N 15 128.726 0.300 . 1 . . . . 29 ILE N . 11270 1 269 . 1 1 30 30 VAL H H 1 8.655 0.030 . 1 . . . . 30 VAL H . 11270 1 270 . 1 1 30 30 VAL HA H 1 4.933 0.030 . 1 . . . . 30 VAL HA . 11270 1 271 . 1 1 30 30 VAL HB H 1 1.998 0.030 . 1 . . . . 30 VAL HB . 11270 1 272 . 1 1 30 30 VAL HG11 H 1 0.796 0.030 . 1 . . . . 30 VAL HG1 . 11270 1 273 . 1 1 30 30 VAL HG12 H 1 0.796 0.030 . 1 . . . . 30 VAL HG1 . 11270 1 274 . 1 1 30 30 VAL HG13 H 1 0.796 0.030 . 1 . . . . 30 VAL HG1 . 11270 1 275 . 1 1 30 30 VAL HG21 H 1 0.938 0.030 . 1 . . . . 30 VAL HG2 . 11270 1 276 . 1 1 30 30 VAL HG22 H 1 0.938 0.030 . 1 . . . . 30 VAL HG2 . 11270 1 277 . 1 1 30 30 VAL HG23 H 1 0.938 0.030 . 1 . . . . 30 VAL HG2 . 11270 1 278 . 1 1 30 30 VAL C C 13 175.869 0.300 . 1 . . . . 30 VAL C . 11270 1 279 . 1 1 30 30 VAL CA C 13 62.177 0.300 . 1 . . . . 30 VAL CA . 11270 1 280 . 1 1 30 30 VAL CB C 13 32.095 0.300 . 1 . . . . 30 VAL CB . 11270 1 281 . 1 1 30 30 VAL CG1 C 13 22.104 0.300 . 2 . . . . 30 VAL CG1 . 11270 1 282 . 1 1 30 30 VAL CG2 C 13 21.650 0.300 . 2 . . . . 30 VAL CG2 . 11270 1 283 . 1 1 30 30 VAL N N 15 127.951 0.300 . 1 . . . . 30 VAL N . 11270 1 284 . 1 1 31 31 ILE H H 1 9.513 0.030 . 1 . . . . 31 ILE H . 11270 1 285 . 1 1 31 31 ILE HA H 1 5.027 0.030 . 1 . . . . 31 ILE HA . 11270 1 286 . 1 1 31 31 ILE HB H 1 1.922 0.030 . 1 . . . . 31 ILE HB . 11270 1 287 . 1 1 31 31 ILE HD11 H 1 0.684 0.030 . 1 . . . . 31 ILE HD1 . 11270 1 288 . 1 1 31 31 ILE HD12 H 1 0.684 0.030 . 1 . . . . 31 ILE HD1 . 11270 1 289 . 1 1 31 31 ILE HD13 H 1 0.684 0.030 . 1 . . . . 31 ILE HD1 . 11270 1 290 . 1 1 31 31 ILE HG12 H 1 1.315 0.030 . 2 . . . . 31 ILE HG12 . 11270 1 291 . 1 1 31 31 ILE HG13 H 1 1.576 0.030 . 2 . . . . 31 ILE HG13 . 11270 1 292 . 1 1 31 31 ILE HG21 H 1 0.973 0.030 . 1 . . . . 31 ILE HG2 . 11270 1 293 . 1 1 31 31 ILE HG22 H 1 0.973 0.030 . 1 . . . . 31 ILE HG2 . 11270 1 294 . 1 1 31 31 ILE HG23 H 1 0.973 0.030 . 1 . . . . 31 ILE HG2 . 11270 1 295 . 1 1 31 31 ILE C C 13 172.622 0.300 . 1 . . . . 31 ILE C . 11270 1 296 . 1 1 31 31 ILE CA C 13 57.027 0.300 . 1 . . . . 31 ILE CA . 11270 1 297 . 1 1 31 31 ILE CB C 13 41.916 0.300 . 1 . . . . 31 ILE CB . 11270 1 298 . 1 1 31 31 ILE CD1 C 13 13.360 0.300 . 1 . . . . 31 ILE CD1 . 11270 1 299 . 1 1 31 31 ILE CG1 C 13 26.871 0.300 . 1 . . . . 31 ILE CG1 . 11270 1 300 . 1 1 31 31 ILE CG2 C 13 17.290 0.300 . 1 . . . . 31 ILE CG2 . 11270 1 301 . 1 1 31 31 ILE N N 15 127.273 0.300 . 1 . . . . 31 ILE N . 11270 1 302 . 1 1 32 32 PRO HA H 1 5.264 0.030 . 1 . . . . 32 PRO HA . 11270 1 303 . 1 1 32 32 PRO HB2 H 1 1.919 0.030 . 2 . . . . 32 PRO HB2 . 11270 1 304 . 1 1 32 32 PRO HB3 H 1 2.336 0.030 . 2 . . . . 32 PRO HB3 . 11270 1 305 . 1 1 32 32 PRO HD2 H 1 3.810 0.030 . 2 . . . . 32 PRO HD2 . 11270 1 306 . 1 1 32 32 PRO HD3 H 1 3.880 0.030 . 2 . . . . 32 PRO HD3 . 11270 1 307 . 1 1 32 32 PRO HG2 H 1 2.188 0.030 . 2 . . . . 32 PRO HG2 . 11270 1 308 . 1 1 32 32 PRO HG3 H 1 1.999 0.030 . 2 . . . . 32 PRO HG3 . 11270 1 309 . 1 1 32 32 PRO C C 13 177.029 0.300 . 1 . . . . 32 PRO C . 11270 1 310 . 1 1 32 32 PRO CA C 13 61.776 0.300 . 1 . . . . 32 PRO CA . 11270 1 311 . 1 1 32 32 PRO CB C 13 32.095 0.300 . 1 . . . . 32 PRO CB . 11270 1 312 . 1 1 32 32 PRO CD C 13 51.044 0.300 . 1 . . . . 32 PRO CD . 11270 1 313 . 1 1 32 32 PRO CG C 13 27.553 0.300 . 1 . . . . 32 PRO CG . 11270 1 314 . 1 1 33 33 PHE H H 1 8.978 0.030 . 1 . . . . 33 PHE H . 11270 1 315 . 1 1 33 33 PHE HA H 1 4.582 0.030 . 1 . . . . 33 PHE HA . 11270 1 316 . 1 1 33 33 PHE HB2 H 1 2.663 0.030 . 2 . . . . 33 PHE HB2 . 11270 1 317 . 1 1 33 33 PHE HB3 H 1 2.856 0.030 . 2 . . . . 33 PHE HB3 . 11270 1 318 . 1 1 33 33 PHE HD1 H 1 7.241 0.030 . 1 . . . . 33 PHE HD1 . 11270 1 319 . 1 1 33 33 PHE HD2 H 1 7.241 0.030 . 1 . . . . 33 PHE HD2 . 11270 1 320 . 1 1 33 33 PHE HE1 H 1 7.360 0.030 . 1 . . . . 33 PHE HE1 . 11270 1 321 . 1 1 33 33 PHE HE2 H 1 7.360 0.030 . 1 . . . . 33 PHE HE2 . 11270 1 322 . 1 1 33 33 PHE HZ H 1 7.336 0.030 . 1 . . . . 33 PHE HZ . 11270 1 323 . 1 1 33 33 PHE C C 13 174.176 0.300 . 1 . . . . 33 PHE C . 11270 1 324 . 1 1 33 33 PHE CA C 13 58.821 0.300 . 1 . . . . 33 PHE CA . 11270 1 325 . 1 1 33 33 PHE CB C 13 45.033 0.300 . 1 . . . . 33 PHE CB . 11270 1 326 . 1 1 33 33 PHE CD1 C 13 132.586 0.300 . 1 . . . . 33 PHE CD1 . 11270 1 327 . 1 1 33 33 PHE CD2 C 13 132.586 0.300 . 1 . . . . 33 PHE CD2 . 11270 1 328 . 1 1 33 33 PHE CE1 C 13 130.106 0.300 . 1 . . . . 33 PHE CE1 . 11270 1 329 . 1 1 33 33 PHE CE2 C 13 130.106 0.300 . 1 . . . . 33 PHE CE2 . 11270 1 330 . 1 1 33 33 PHE CZ C 13 131.243 0.300 . 1 . . . . 33 PHE CZ . 11270 1 331 . 1 1 33 33 PHE N N 15 124.885 0.300 . 1 . . . . 33 PHE N . 11270 1 332 . 1 1 34 34 LYS H H 1 7.808 0.030 . 1 . . . . 34 LYS H . 11270 1 333 . 1 1 34 34 LYS HA H 1 4.409 0.030 . 1 . . . . 34 LYS HA . 11270 1 334 . 1 1 34 34 LYS HB2 H 1 1.598 0.030 . 2 . . . . 34 LYS HB2 . 11270 1 335 . 1 1 34 34 LYS HB3 H 1 1.807 0.030 . 2 . . . . 34 LYS HB3 . 11270 1 336 . 1 1 34 34 LYS HD2 H 1 1.548 0.030 . 1 . . . . 34 LYS HD2 . 11270 1 337 . 1 1 34 34 LYS HD3 H 1 1.548 0.030 . 1 . . . . 34 LYS HD3 . 11270 1 338 . 1 1 34 34 LYS HE2 H 1 2.900 0.030 . 1 . . . . 34 LYS HE2 . 11270 1 339 . 1 1 34 34 LYS HE3 H 1 2.900 0.030 . 1 . . . . 34 LYS HE3 . 11270 1 340 . 1 1 34 34 LYS HG2 H 1 1.376 0.030 . 1 . . . . 34 LYS HG2 . 11270 1 341 . 1 1 34 34 LYS HG3 H 1 1.376 0.030 . 1 . . . . 34 LYS HG3 . 11270 1 342 . 1 1 34 34 LYS C C 13 179.447 0.300 . 1 . . . . 34 LYS C . 11270 1 343 . 1 1 34 34 LYS CA C 13 57.414 0.300 . 1 . . . . 34 LYS CA . 11270 1 344 . 1 1 34 34 LYS CB C 13 32.547 0.300 . 1 . . . . 34 LYS CB . 11270 1 345 . 1 1 34 34 LYS CD C 13 29.524 0.300 . 1 . . . . 34 LYS CD . 11270 1 346 . 1 1 34 34 LYS CE C 13 41.856 0.300 . 1 . . . . 34 LYS CE . 11270 1 347 . 1 1 34 34 LYS CG C 13 26.218 0.300 . 1 . . . . 34 LYS CG . 11270 1 348 . 1 1 34 34 LYS N N 15 127.757 0.300 . 1 . . . . 34 LYS N . 11270 1 349 . 1 1 35 35 VAL H H 1 8.519 0.030 . 1 . . . . 35 VAL H . 11270 1 350 . 1 1 35 35 VAL HA H 1 4.053 0.030 . 1 . . . . 35 VAL HA . 11270 1 351 . 1 1 35 35 VAL HB H 1 2.290 0.030 . 1 . . . . 35 VAL HB . 11270 1 352 . 1 1 35 35 VAL HG11 H 1 0.834 0.030 . 1 . . . . 35 VAL HG1 . 11270 1 353 . 1 1 35 35 VAL HG12 H 1 0.834 0.030 . 1 . . . . 35 VAL HG1 . 11270 1 354 . 1 1 35 35 VAL HG13 H 1 0.834 0.030 . 1 . . . . 35 VAL HG1 . 11270 1 355 . 1 1 35 35 VAL HG21 H 1 0.920 0.030 . 1 . . . . 35 VAL HG2 . 11270 1 356 . 1 1 35 35 VAL HG22 H 1 0.920 0.030 . 1 . . . . 35 VAL HG2 . 11270 1 357 . 1 1 35 35 VAL HG23 H 1 0.920 0.030 . 1 . . . . 35 VAL HG2 . 11270 1 358 . 1 1 35 35 VAL C C 13 173.838 0.300 . 1 . . . . 35 VAL C . 11270 1 359 . 1 1 35 35 VAL CA C 13 64.380 0.300 . 1 . . . . 35 VAL CA . 11270 1 360 . 1 1 35 35 VAL CB C 13 31.190 0.300 . 1 . . . . 35 VAL CB . 11270 1 361 . 1 1 35 35 VAL CG1 C 13 22.819 0.300 . 2 . . . . 35 VAL CG1 . 11270 1 362 . 1 1 35 35 VAL CG2 C 13 18.019 0.300 . 2 . . . . 35 VAL CG2 . 11270 1 363 . 1 1 35 35 VAL N N 15 113.863 0.300 . 1 . . . . 35 VAL N . 11270 1 364 . 1 1 36 36 ASP H H 1 8.077 0.030 . 1 . . . . 36 ASP H . 11270 1 365 . 1 1 36 36 ASP HA H 1 4.788 0.030 . 1 . . . . 36 ASP HA . 11270 1 366 . 1 1 36 36 ASP HB2 H 1 2.474 0.030 . 2 . . . . 36 ASP HB2 . 11270 1 367 . 1 1 36 36 ASP HB3 H 1 3.063 0.030 . 2 . . . . 36 ASP HB3 . 11270 1 368 . 1 1 36 36 ASP C C 13 175.699 0.300 . 1 . . . . 36 ASP C . 11270 1 369 . 1 1 36 36 ASP CA C 13 52.207 0.300 . 1 . . . . 36 ASP CA . 11270 1 370 . 1 1 36 36 ASP CB C 13 40.493 0.300 . 1 . . . . 36 ASP CB . 11270 1 371 . 1 1 36 36 ASP N N 15 114.777 0.300 . 1 . . . . 36 ASP N . 11270 1 372 . 1 1 37 37 THR H H 1 7.002 0.030 . 1 . . . . 37 THR H . 11270 1 373 . 1 1 37 37 THR HA H 1 4.480 0.030 . 1 . . . . 37 THR HA . 11270 1 374 . 1 1 37 37 THR HB H 1 3.503 0.030 . 1 . . . . 37 THR HB . 11270 1 375 . 1 1 37 37 THR HG21 H 1 1.360 0.030 . 1 . . . . 37 THR HG2 . 11270 1 376 . 1 1 37 37 THR HG22 H 1 1.360 0.030 . 1 . . . . 37 THR HG2 . 11270 1 377 . 1 1 37 37 THR HG23 H 1 1.360 0.030 . 1 . . . . 37 THR HG2 . 11270 1 378 . 1 1 37 37 THR C C 13 174.297 0.300 . 1 . . . . 37 THR C . 11270 1 379 . 1 1 37 37 THR CA C 13 62.198 0.300 . 1 . . . . 37 THR CA . 11270 1 380 . 1 1 37 37 THR CB C 13 69.671 0.300 . 1 . . . . 37 THR CB . 11270 1 381 . 1 1 37 37 THR CG2 C 13 23.466 0.300 . 1 . . . . 37 THR CG2 . 11270 1 382 . 1 1 37 37 THR N N 15 117.747 0.300 . 1 . . . . 37 THR N . 11270 1 383 . 1 1 38 38 ILE H H 1 8.548 0.030 . 1 . . . . 38 ILE H . 11270 1 384 . 1 1 38 38 ILE HA H 1 4.487 0.030 . 1 . . . . 38 ILE HA . 11270 1 385 . 1 1 38 38 ILE HB H 1 2.734 0.030 . 1 . . . . 38 ILE HB . 11270 1 386 . 1 1 38 38 ILE HD11 H 1 0.944 0.030 . 1 . . . . 38 ILE HD1 . 11270 1 387 . 1 1 38 38 ILE HD12 H 1 0.944 0.030 . 1 . . . . 38 ILE HD1 . 11270 1 388 . 1 1 38 38 ILE HD13 H 1 0.944 0.030 . 1 . . . . 38 ILE HD1 . 11270 1 389 . 1 1 38 38 ILE HG12 H 1 1.587 0.030 . 1 . . . . 38 ILE HG12 . 11270 1 390 . 1 1 38 38 ILE HG13 H 1 1.587 0.030 . 1 . . . . 38 ILE HG13 . 11270 1 391 . 1 1 38 38 ILE HG21 H 1 1.009 0.030 . 1 . . . . 38 ILE HG2 . 11270 1 392 . 1 1 38 38 ILE HG22 H 1 1.009 0.030 . 1 . . . . 38 ILE HG2 . 11270 1 393 . 1 1 38 38 ILE HG23 H 1 1.009 0.030 . 1 . . . . 38 ILE HG2 . 11270 1 394 . 1 1 38 38 ILE C C 13 178.117 0.300 . 1 . . . . 38 ILE C . 11270 1 395 . 1 1 38 38 ILE CA C 13 63.359 0.300 . 1 . . . . 38 ILE CA . 11270 1 396 . 1 1 38 38 ILE CB C 13 37.352 0.300 . 1 . . . . 38 ILE CB . 11270 1 397 . 1 1 38 38 ILE CD1 C 13 13.798 0.300 . 1 . . . . 38 ILE CD1 . 11270 1 398 . 1 1 38 38 ILE CG1 C 13 25.963 0.300 . 1 . . . . 38 ILE CG1 . 11270 1 399 . 1 1 38 38 ILE CG2 C 13 17.936 0.300 . 1 . . . . 38 ILE CG2 . 11270 1 400 . 1 1 38 38 ILE N N 15 121.751 0.300 . 1 . . . . 38 ILE N . 11270 1 401 . 1 1 39 39 LEU H H 1 8.690 0.030 . 1 . . . . 39 LEU H . 11270 1 402 . 1 1 39 39 LEU HA H 1 4.022 0.030 . 1 . . . . 39 LEU HA . 11270 1 403 . 1 1 39 39 LEU HB2 H 1 1.318 0.030 . 2 . . . . 39 LEU HB2 . 11270 1 404 . 1 1 39 39 LEU HB3 H 1 1.965 0.030 . 2 . . . . 39 LEU HB3 . 11270 1 405 . 1 1 39 39 LEU HD11 H 1 0.747 0.030 . 1 . . . . 39 LEU HD1 . 11270 1 406 . 1 1 39 39 LEU HD12 H 1 0.747 0.030 . 1 . . . . 39 LEU HD1 . 11270 1 407 . 1 1 39 39 LEU HD13 H 1 0.747 0.030 . 1 . . . . 39 LEU HD1 . 11270 1 408 . 1 1 39 39 LEU HD21 H 1 0.760 0.030 . 1 . . . . 39 LEU HD2 . 11270 1 409 . 1 1 39 39 LEU HD22 H 1 0.760 0.030 . 1 . . . . 39 LEU HD2 . 11270 1 410 . 1 1 39 39 LEU HD23 H 1 0.760 0.030 . 1 . . . . 39 LEU HD2 . 11270 1 411 . 1 1 39 39 LEU HG H 1 1.879 0.030 . 1 . . . . 39 LEU HG . 11270 1 412 . 1 1 39 39 LEU C C 13 178.891 0.300 . 1 . . . . 39 LEU C . 11270 1 413 . 1 1 39 39 LEU CA C 13 57.730 0.300 . 1 . . . . 39 LEU CA . 11270 1 414 . 1 1 39 39 LEU CB C 13 40.947 0.300 . 1 . . . . 39 LEU CB . 11270 1 415 . 1 1 39 39 LEU CD1 C 13 26.792 0.300 . 2 . . . . 39 LEU CD1 . 11270 1 416 . 1 1 39 39 LEU CD2 C 13 23.730 0.300 . 2 . . . . 39 LEU CD2 . 11270 1 417 . 1 1 39 39 LEU CG C 13 28.613 0.300 . 1 . . . . 39 LEU CG . 11270 1 418 . 1 1 39 39 LEU N N 15 122.623 0.300 . 1 . . . . 39 LEU N . 11270 1 419 . 1 1 40 40 LYS H H 1 8.769 0.030 . 1 . . . . 40 LYS H . 11270 1 420 . 1 1 40 40 LYS HA H 1 3.712 0.030 . 1 . . . . 40 LYS HA . 11270 1 421 . 1 1 40 40 LYS HB2 H 1 1.213 0.030 . 2 . . . . 40 LYS HB2 . 11270 1 422 . 1 1 40 40 LYS HB3 H 1 1.913 0.030 . 2 . . . . 40 LYS HB3 . 11270 1 423 . 1 1 40 40 LYS HD2 H 1 1.166 0.030 . 2 . . . . 40 LYS HD2 . 11270 1 424 . 1 1 40 40 LYS HD3 H 1 1.380 0.030 . 2 . . . . 40 LYS HD3 . 11270 1 425 . 1 1 40 40 LYS HE2 H 1 2.548 0.030 . 1 . . . . 40 LYS HE2 . 11270 1 426 . 1 1 40 40 LYS HE3 H 1 2.548 0.030 . 1 . . . . 40 LYS HE3 . 11270 1 427 . 1 1 40 40 LYS HG2 H 1 1.107 0.030 . 2 . . . . 40 LYS HG2 . 11270 1 428 . 1 1 40 40 LYS HG3 H 1 1.184 0.030 . 2 . . . . 40 LYS HG3 . 11270 1 429 . 1 1 40 40 LYS C C 13 177.440 0.300 . 1 . . . . 40 LYS C . 11270 1 430 . 1 1 40 40 LYS CA C 13 59.595 0.300 . 1 . . . . 40 LYS CA . 11270 1 431 . 1 1 40 40 LYS CB C 13 33.986 0.300 . 1 . . . . 40 LYS CB . 11270 1 432 . 1 1 40 40 LYS CD C 13 28.688 0.300 . 1 . . . . 40 LYS CD . 11270 1 433 . 1 1 40 40 LYS CE C 13 41.954 0.300 . 1 . . . . 40 LYS CE . 11270 1 434 . 1 1 40 40 LYS CG C 13 24.243 0.300 . 1 . . . . 40 LYS CG . 11270 1 435 . 1 1 40 40 LYS N N 15 122.041 0.300 . 1 . . . . 40 LYS N . 11270 1 436 . 1 1 41 41 TYR H H 1 7.645 0.030 . 1 . . . . 41 TYR H . 11270 1 437 . 1 1 41 41 TYR HA H 1 4.481 0.030 . 1 . . . . 41 TYR HA . 11270 1 438 . 1 1 41 41 TYR HB2 H 1 3.081 0.030 . 2 . . . . 41 TYR HB2 . 11270 1 439 . 1 1 41 41 TYR HB3 H 1 3.434 0.030 . 2 . . . . 41 TYR HB3 . 11270 1 440 . 1 1 41 41 TYR HD1 H 1 7.511 0.030 . 1 . . . . 41 TYR HD1 . 11270 1 441 . 1 1 41 41 TYR HD2 H 1 7.511 0.030 . 1 . . . . 41 TYR HD2 . 11270 1 442 . 1 1 41 41 TYR HE1 H 1 6.923 0.030 . 1 . . . . 41 TYR HE1 . 11270 1 443 . 1 1 41 41 TYR HE2 H 1 6.923 0.030 . 1 . . . . 41 TYR HE2 . 11270 1 444 . 1 1 41 41 TYR C C 13 179.060 0.300 . 1 . . . . 41 TYR C . 11270 1 445 . 1 1 41 41 TYR CA C 13 61.882 0.300 . 1 . . . . 41 TYR CA . 11270 1 446 . 1 1 41 41 TYR CB C 13 37.768 0.300 . 1 . . . . 41 TYR CB . 11270 1 447 . 1 1 41 41 TYR CD1 C 13 133.336 0.300 . 1 . . . . 41 TYR CD1 . 11270 1 448 . 1 1 41 41 TYR CD2 C 13 133.336 0.300 . 1 . . . . 41 TYR CD2 . 11270 1 449 . 1 1 41 41 TYR CE1 C 13 118.347 0.300 . 1 . . . . 41 TYR CE1 . 11270 1 450 . 1 1 41 41 TYR CE2 C 13 118.347 0.300 . 1 . . . . 41 TYR CE2 . 11270 1 451 . 1 1 41 41 TYR N N 15 112.757 0.300 . 1 . . . . 41 TYR N . 11270 1 452 . 1 1 42 42 LEU H H 1 7.497 0.030 . 1 . . . . 42 LEU H . 11270 1 453 . 1 1 42 42 LEU HA H 1 4.193 0.030 . 1 . . . . 42 LEU HA . 11270 1 454 . 1 1 42 42 LEU HB2 H 1 0.650 0.030 . 2 . . . . 42 LEU HB2 . 11270 1 455 . 1 1 42 42 LEU HB3 H 1 1.703 0.030 . 2 . . . . 42 LEU HB3 . 11270 1 456 . 1 1 42 42 LEU HD11 H 1 0.409 0.030 . 1 . . . . 42 LEU HD1 . 11270 1 457 . 1 1 42 42 LEU HD12 H 1 0.409 0.030 . 1 . . . . 42 LEU HD1 . 11270 1 458 . 1 1 42 42 LEU HD13 H 1 0.409 0.030 . 1 . . . . 42 LEU HD1 . 11270 1 459 . 1 1 42 42 LEU HD21 H 1 0.542 0.030 . 1 . . . . 42 LEU HD2 . 11270 1 460 . 1 1 42 42 LEU HD22 H 1 0.542 0.030 . 1 . . . . 42 LEU HD2 . 11270 1 461 . 1 1 42 42 LEU HD23 H 1 0.542 0.030 . 1 . . . . 42 LEU HD2 . 11270 1 462 . 1 1 42 42 LEU HG H 1 1.363 0.030 . 1 . . . . 42 LEU HG . 11270 1 463 . 1 1 42 42 LEU C C 13 178.359 0.300 . 1 . . . . 42 LEU C . 11270 1 464 . 1 1 42 42 LEU CA C 13 57.906 0.300 . 1 . . . . 42 LEU CA . 11270 1 465 . 1 1 42 42 LEU CB C 13 41.174 0.300 . 1 . . . . 42 LEU CB . 11270 1 466 . 1 1 42 42 LEU CD1 C 13 25.073 0.300 . 2 . . . . 42 LEU CD1 . 11270 1 467 . 1 1 42 42 LEU CD2 C 13 23.920 0.300 . 2 . . . . 42 LEU CD2 . 11270 1 468 . 1 1 42 42 LEU CG C 13 27.098 0.300 . 1 . . . . 42 LEU CG . 11270 1 469 . 1 1 42 42 LEU N N 15 122.466 0.300 . 1 . . . . 42 LEU N . 11270 1 470 . 1 1 43 43 LYS H H 1 7.804 0.030 . 1 . . . . 43 LYS H . 11270 1 471 . 1 1 43 43 LYS HA H 1 3.716 0.030 . 1 . . . . 43 LYS HA . 11270 1 472 . 1 1 43 43 LYS HB2 H 1 1.807 0.030 . 1 . . . . 43 LYS HB2 . 11270 1 473 . 1 1 43 43 LYS HB3 H 1 1.807 0.030 . 1 . . . . 43 LYS HB3 . 11270 1 474 . 1 1 43 43 LYS HD2 H 1 1.643 0.030 . 2 . . . . 43 LYS HD2 . 11270 1 475 . 1 1 43 43 LYS HD3 H 1 2.126 0.030 . 2 . . . . 43 LYS HD3 . 11270 1 476 . 1 1 43 43 LYS HE2 H 1 2.553 0.030 . 2 . . . . 43 LYS HE2 . 11270 1 477 . 1 1 43 43 LYS HE3 H 1 2.878 0.030 . 2 . . . . 43 LYS HE3 . 11270 1 478 . 1 1 43 43 LYS HG2 H 1 1.182 0.030 . 2 . . . . 43 LYS HG2 . 11270 1 479 . 1 1 43 43 LYS HG3 H 1 1.272 0.030 . 2 . . . . 43 LYS HG3 . 11270 1 480 . 1 1 43 43 LYS C C 13 178.407 0.300 . 1 . . . . 43 LYS C . 11270 1 481 . 1 1 43 43 LYS CA C 13 60.967 0.300 . 1 . . . . 43 LYS CA . 11270 1 482 . 1 1 43 43 LYS CB C 13 31.782 0.300 . 1 . . . . 43 LYS CB . 11270 1 483 . 1 1 43 43 LYS CD C 13 28.391 0.300 . 1 . . . . 43 LYS CD . 11270 1 484 . 1 1 43 43 LYS CE C 13 42.309 0.300 . 1 . . . . 43 LYS CE . 11270 1 485 . 1 1 43 43 LYS CG C 13 26.379 0.300 . 1 . . . . 43 LYS CG . 11270 1 486 . 1 1 43 43 LYS N N 15 119.135 0.300 . 1 . . . . 43 LYS N . 11270 1 487 . 1 1 44 44 ASP H H 1 8.990 0.030 . 1 . . . . 44 ASP H . 11270 1 488 . 1 1 44 44 ASP HA H 1 4.389 0.030 . 1 . . . . 44 ASP HA . 11270 1 489 . 1 1 44 44 ASP HB2 H 1 2.838 0.030 . 2 . . . . 44 ASP HB2 . 11270 1 490 . 1 1 44 44 ASP HB3 H 1 2.713 0.030 . 2 . . . . 44 ASP HB3 . 11270 1 491 . 1 1 44 44 ASP C C 13 178.673 0.300 . 1 . . . . 44 ASP C . 11270 1 492 . 1 1 44 44 ASP CA C 13 57.730 0.300 . 1 . . . . 44 ASP CA . 11270 1 493 . 1 1 44 44 ASP CB C 13 40.720 0.300 . 1 . . . . 44 ASP CB . 11270 1 494 . 1 1 44 44 ASP N N 15 119.523 0.300 . 1 . . . . 44 ASP N . 11270 1 495 . 1 1 45 45 HIS H H 1 7.492 0.030 . 1 . . . . 45 HIS H . 11270 1 496 . 1 1 45 45 HIS HA H 1 4.418 0.030 . 1 . . . . 45 HIS HA . 11270 1 497 . 1 1 45 45 HIS HB2 H 1 3.266 0.030 . 2 . . . . 45 HIS HB2 . 11270 1 498 . 1 1 45 45 HIS HB3 H 1 3.364 0.030 . 2 . . . . 45 HIS HB3 . 11270 1 499 . 1 1 45 45 HIS HD2 H 1 5.671 0.030 . 1 . . . . 45 HIS HD2 . 11270 1 500 . 1 1 45 45 HIS HE1 H 1 8.023 0.030 . 1 . . . . 45 HIS HE1 . 11270 1 501 . 1 1 45 45 HIS C C 13 177.875 0.300 . 1 . . . . 45 HIS C . 11270 1 502 . 1 1 45 45 HIS CA C 13 60.052 0.300 . 1 . . . . 45 HIS CA . 11270 1 503 . 1 1 45 45 HIS CB C 13 30.958 0.300 . 1 . . . . 45 HIS CB . 11270 1 504 . 1 1 45 45 HIS CD2 C 13 117.415 0.300 . 1 . . . . 45 HIS CD2 . 11270 1 505 . 1 1 45 45 HIS CE1 C 13 138.077 0.300 . 1 . . . . 45 HIS CE1 . 11270 1 506 . 1 1 45 45 HIS N N 15 119.735 0.300 . 1 . . . . 45 HIS N . 11270 1 507 . 1 1 46 46 PHE H H 1 7.790 0.030 . 1 . . . . 46 PHE H . 11270 1 508 . 1 1 46 46 PHE HA H 1 3.924 0.030 . 1 . . . . 46 PHE HA . 11270 1 509 . 1 1 46 46 PHE HB2 H 1 2.749 0.030 . 2 . . . . 46 PHE HB2 . 11270 1 510 . 1 1 46 46 PHE HB3 H 1 2.895 0.030 . 2 . . . . 46 PHE HB3 . 11270 1 511 . 1 1 46 46 PHE HD1 H 1 7.335 0.030 . 1 . . . . 46 PHE HD1 . 11270 1 512 . 1 1 46 46 PHE HD2 H 1 7.335 0.030 . 1 . . . . 46 PHE HD2 . 11270 1 513 . 1 1 46 46 PHE HE1 H 1 7.191 0.030 . 1 . . . . 46 PHE HE1 . 11270 1 514 . 1 1 46 46 PHE HE2 H 1 7.191 0.030 . 1 . . . . 46 PHE HE2 . 11270 1 515 . 1 1 46 46 PHE HZ H 1 7.049 0.030 . 1 . . . . 46 PHE HZ . 11270 1 516 . 1 1 46 46 PHE C C 13 177.102 0.300 . 1 . . . . 46 PHE C . 11270 1 517 . 1 1 46 46 PHE CA C 13 63.570 0.300 . 1 . . . . 46 PHE CA . 11270 1 518 . 1 1 46 46 PHE CB C 13 39.121 0.300 . 1 . . . . 46 PHE CB . 11270 1 519 . 1 1 46 46 PHE CD1 C 13 130.994 0.300 . 1 . . . . 46 PHE CD1 . 11270 1 520 . 1 1 46 46 PHE CD2 C 13 130.994 0.300 . 1 . . . . 46 PHE CD2 . 11270 1 521 . 1 1 46 46 PHE CE1 C 13 131.172 0.300 . 1 . . . . 46 PHE CE1 . 11270 1 522 . 1 1 46 46 PHE CE2 C 13 131.172 0.300 . 1 . . . . 46 PHE CE2 . 11270 1 523 . 1 1 46 46 PHE CZ C 13 129.082 0.300 . 1 . . . . 46 PHE CZ . 11270 1 524 . 1 1 46 46 PHE N N 15 114.485 0.300 . 1 . . . . 46 PHE N . 11270 1 525 . 1 1 47 47 SER H H 1 8.980 0.030 . 1 . . . . 47 SER H . 11270 1 526 . 1 1 47 47 SER HA H 1 4.304 0.030 . 1 . . . . 47 SER HA . 11270 1 527 . 1 1 47 47 SER HB2 H 1 3.972 0.030 . 2 . . . . 47 SER HB2 . 11270 1 528 . 1 1 47 47 SER HB3 H 1 4.085 0.030 . 2 . . . . 47 SER HB3 . 11270 1 529 . 1 1 47 47 SER C C 13 177.585 0.300 . 1 . . . . 47 SER C . 11270 1 530 . 1 1 47 47 SER CA C 13 61.706 0.300 . 1 . . . . 47 SER CA . 11270 1 531 . 1 1 47 47 SER CB C 13 62.928 0.300 . 1 . . . . 47 SER CB . 11270 1 532 . 1 1 47 47 SER N N 15 117.585 0.300 . 1 . . . . 47 SER N . 11270 1 533 . 1 1 48 48 HIS H H 1 7.610 0.030 . 1 . . . . 48 HIS H . 11270 1 534 . 1 1 48 48 HIS HA H 1 4.426 0.030 . 1 . . . . 48 HIS HA . 11270 1 535 . 1 1 48 48 HIS HB2 H 1 3.265 0.030 . 1 . . . . 48 HIS HB2 . 11270 1 536 . 1 1 48 48 HIS HB3 H 1 3.265 0.030 . 1 . . . . 48 HIS HB3 . 11270 1 537 . 1 1 48 48 HIS HD2 H 1 7.031 0.030 . 1 . . . . 48 HIS HD2 . 11270 1 538 . 1 1 48 48 HIS HE1 H 1 7.741 0.030 . 1 . . . . 48 HIS HE1 . 11270 1 539 . 1 1 48 48 HIS C C 13 177.948 0.300 . 1 . . . . 48 HIS C . 11270 1 540 . 1 1 48 48 HIS CA C 13 59.102 0.300 . 1 . . . . 48 HIS CA . 11270 1 541 . 1 1 48 48 HIS CB C 13 29.369 0.300 . 1 . . . . 48 HIS CB . 11270 1 542 . 1 1 48 48 HIS CD2 C 13 120.270 0.300 . 1 . . . . 48 HIS CD2 . 11270 1 543 . 1 1 48 48 HIS CE1 C 13 139.225 0.300 . 1 . . . . 48 HIS CE1 . 11270 1 544 . 1 1 48 48 HIS N N 15 118.554 0.300 . 1 . . . . 48 HIS N . 11270 1 545 . 1 1 49 49 LEU H H 1 7.639 0.030 . 1 . . . . 49 LEU H . 11270 1 546 . 1 1 49 49 LEU HA H 1 3.903 0.030 . 1 . . . . 49 LEU HA . 11270 1 547 . 1 1 49 49 LEU HB2 H 1 1.356 0.030 . 2 . . . . 49 LEU HB2 . 11270 1 548 . 1 1 49 49 LEU HB3 H 1 1.524 0.030 . 2 . . . . 49 LEU HB3 . 11270 1 549 . 1 1 49 49 LEU HD11 H 1 0.303 0.030 . 1 . . . . 49 LEU HD1 . 11270 1 550 . 1 1 49 49 LEU HD12 H 1 0.303 0.030 . 1 . . . . 49 LEU HD1 . 11270 1 551 . 1 1 49 49 LEU HD13 H 1 0.303 0.030 . 1 . . . . 49 LEU HD1 . 11270 1 552 . 1 1 49 49 LEU HD21 H 1 0.715 0.030 . 1 . . . . 49 LEU HD2 . 11270 1 553 . 1 1 49 49 LEU HD22 H 1 0.715 0.030 . 1 . . . . 49 LEU HD2 . 11270 1 554 . 1 1 49 49 LEU HD23 H 1 0.715 0.030 . 1 . . . . 49 LEU HD2 . 11270 1 555 . 1 1 49 49 LEU HG H 1 0.380 0.030 . 1 . . . . 49 LEU HG . 11270 1 556 . 1 1 49 49 LEU C C 13 178.794 0.300 . 1 . . . . 49 LEU C . 11270 1 557 . 1 1 49 49 LEU CA C 13 57.625 0.300 . 1 . . . . 49 LEU CA . 11270 1 558 . 1 1 49 49 LEU CB C 13 43.444 0.300 . 1 . . . . 49 LEU CB . 11270 1 559 . 1 1 49 49 LEU CD1 C 13 24.828 0.300 . 2 . . . . 49 LEU CD1 . 11270 1 560 . 1 1 49 49 LEU CD2 C 13 22.993 0.300 . 2 . . . . 49 LEU CD2 . 11270 1 561 . 1 1 49 49 LEU CG C 13 24.706 0.300 . 1 . . . . 49 LEU CG . 11270 1 562 . 1 1 49 49 LEU N N 15 118.166 0.300 . 1 . . . . 49 LEU N . 11270 1 563 . 1 1 50 50 LEU H H 1 8.453 0.030 . 1 . . . . 50 LEU H . 11270 1 564 . 1 1 50 50 LEU HA H 1 4.333 0.030 . 1 . . . . 50 LEU HA . 11270 1 565 . 1 1 50 50 LEU HB2 H 1 1.701 0.030 . 2 . . . . 50 LEU HB2 . 11270 1 566 . 1 1 50 50 LEU HB3 H 1 1.900 0.030 . 2 . . . . 50 LEU HB3 . 11270 1 567 . 1 1 50 50 LEU HD11 H 1 0.981 0.030 . 1 . . . . 50 LEU HD1 . 11270 1 568 . 1 1 50 50 LEU HD12 H 1 0.981 0.030 . 1 . . . . 50 LEU HD1 . 11270 1 569 . 1 1 50 50 LEU HD13 H 1 0.981 0.030 . 1 . . . . 50 LEU HD1 . 11270 1 570 . 1 1 50 50 LEU HD21 H 1 1.175 0.030 . 1 . . . . 50 LEU HD2 . 11270 1 571 . 1 1 50 50 LEU HD22 H 1 1.175 0.030 . 1 . . . . 50 LEU HD2 . 11270 1 572 . 1 1 50 50 LEU HD23 H 1 1.175 0.030 . 1 . . . . 50 LEU HD2 . 11270 1 573 . 1 1 50 50 LEU HG H 1 1.975 0.030 . 1 . . . . 50 LEU HG . 11270 1 574 . 1 1 50 50 LEU C C 13 177.972 0.300 . 1 . . . . 50 LEU C . 11270 1 575 . 1 1 50 50 LEU CA C 13 55.162 0.300 . 1 . . . . 50 LEU CA . 11270 1 576 . 1 1 50 50 LEU CB C 13 43.671 0.300 . 1 . . . . 50 LEU CB . 11270 1 577 . 1 1 50 50 LEU CD1 C 13 26.644 0.300 . 2 . . . . 50 LEU CD1 . 11270 1 578 . 1 1 50 50 LEU CD2 C 13 24.372 0.300 . 2 . . . . 50 LEU CD2 . 11270 1 579 . 1 1 50 50 LEU CG C 13 27.780 0.300 . 1 . . . . 50 LEU CG . 11270 1 580 . 1 1 50 50 LEU N N 15 113.813 0.300 . 1 . . . . 50 LEU N . 11270 1 581 . 1 1 51 51 GLY H H 1 7.834 0.030 . 1 . . . . 51 GLY H . 11270 1 582 . 1 1 51 51 GLY HA2 H 1 3.910 0.030 . 2 . . . . 51 GLY HA2 . 11270 1 583 . 1 1 51 51 GLY HA3 H 1 3.991 0.030 . 2 . . . . 51 GLY HA3 . 11270 1 584 . 1 1 51 51 GLY C C 13 174.636 0.300 . 1 . . . . 51 GLY C . 11270 1 585 . 1 1 51 51 GLY CA C 13 46.824 0.300 . 1 . . . . 51 GLY CA . 11270 1 586 . 1 1 51 51 GLY N N 15 109.062 0.300 . 1 . . . . 51 GLY N . 11270 1 587 . 1 1 52 52 ILE H H 1 7.251 0.030 . 1 . . . . 52 ILE H . 11270 1 588 . 1 1 52 52 ILE HA H 1 4.584 0.030 . 1 . . . . 52 ILE HA . 11270 1 589 . 1 1 52 52 ILE HB H 1 1.399 0.030 . 1 . . . . 52 ILE HB . 11270 1 590 . 1 1 52 52 ILE HD11 H 1 0.746 0.030 . 1 . . . . 52 ILE HD1 . 11270 1 591 . 1 1 52 52 ILE HD12 H 1 0.746 0.030 . 1 . . . . 52 ILE HD1 . 11270 1 592 . 1 1 52 52 ILE HD13 H 1 0.746 0.030 . 1 . . . . 52 ILE HD1 . 11270 1 593 . 1 1 52 52 ILE HG12 H 1 0.877 0.030 . 2 . . . . 52 ILE HG12 . 11270 1 594 . 1 1 52 52 ILE HG13 H 1 1.395 0.030 . 2 . . . . 52 ILE HG13 . 11270 1 595 . 1 1 52 52 ILE HG21 H 1 0.848 0.030 . 1 . . . . 52 ILE HG2 . 11270 1 596 . 1 1 52 52 ILE HG22 H 1 0.848 0.030 . 1 . . . . 52 ILE HG2 . 11270 1 597 . 1 1 52 52 ILE HG23 H 1 0.848 0.030 . 1 . . . . 52 ILE HG2 . 11270 1 598 . 1 1 52 52 ILE C C 13 172.622 0.300 . 1 . . . . 52 ILE C . 11270 1 599 . 1 1 52 52 ILE CA C 13 57.836 0.300 . 1 . . . . 52 ILE CA . 11270 1 600 . 1 1 52 52 ILE CB C 13 41.855 0.300 . 1 . . . . 52 ILE CB . 11270 1 601 . 1 1 52 52 ILE CD1 C 13 14.372 0.300 . 1 . . . . 52 ILE CD1 . 11270 1 602 . 1 1 52 52 ILE CG1 C 13 25.736 0.300 . 1 . . . . 52 ILE CG1 . 11270 1 603 . 1 1 52 52 ILE CG2 C 13 16.794 0.300 . 1 . . . . 52 ILE CG2 . 11270 1 604 . 1 1 52 52 ILE N N 15 116.493 0.300 . 1 . . . . 52 ILE N . 11270 1 605 . 1 1 53 53 PRO HA H 1 4.216 0.030 . 1 . . . . 53 PRO HA . 11270 1 606 . 1 1 53 53 PRO HB2 H 1 1.547 0.030 . 2 . . . . 53 PRO HB2 . 11270 1 607 . 1 1 53 53 PRO HB3 H 1 2.231 0.030 . 2 . . . . 53 PRO HB3 . 11270 1 608 . 1 1 53 53 PRO HD2 H 1 3.342 0.030 . 2 . . . . 53 PRO HD2 . 11270 1 609 . 1 1 53 53 PRO HD3 H 1 2.417 0.030 . 2 . . . . 53 PRO HD3 . 11270 1 610 . 1 1 53 53 PRO HG2 H 1 1.422 0.030 . 2 . . . . 53 PRO HG2 . 11270 1 611 . 1 1 53 53 PRO HG3 H 1 1.663 0.030 . 2 . . . . 53 PRO HG3 . 11270 1 612 . 1 1 53 53 PRO C C 13 177.368 0.300 . 1 . . . . 53 PRO C . 11270 1 613 . 1 1 53 53 PRO CA C 13 63.078 0.300 . 1 . . . . 53 PRO CA . 11270 1 614 . 1 1 53 53 PRO CB C 13 32.342 0.300 . 1 . . . . 53 PRO CB . 11270 1 615 . 1 1 53 53 PRO CD C 13 51.209 0.300 . 1 . . . . 53 PRO CD . 11270 1 616 . 1 1 53 53 PRO CG C 13 27.326 0.300 . 1 . . . . 53 PRO CG . 11270 1 617 . 1 1 54 54 HIS H H 1 8.448 0.030 . 1 . . . . 54 HIS H . 11270 1 618 . 1 1 54 54 HIS HA H 1 3.914 0.030 . 1 . . . . 54 HIS HA . 11270 1 619 . 1 1 54 54 HIS HB2 H 1 3.082 0.030 . 2 . . . . 54 HIS HB2 . 11270 1 620 . 1 1 54 54 HIS HB3 H 1 3.140 0.030 . 2 . . . . 54 HIS HB3 . 11270 1 621 . 1 1 54 54 HIS HD2 H 1 7.166 0.030 . 1 . . . . 54 HIS HD2 . 11270 1 622 . 1 1 54 54 HIS HE1 H 1 7.663 0.030 . 1 . . . . 54 HIS HE1 . 11270 1 623 . 1 1 54 54 HIS C C 13 176.811 0.300 . 1 . . . . 54 HIS C . 11270 1 624 . 1 1 54 54 HIS CA C 13 60.334 0.300 . 1 . . . . 54 HIS CA . 11270 1 625 . 1 1 54 54 HIS CB C 13 30.360 0.300 . 1 . . . . 54 HIS CB . 11270 1 626 . 1 1 54 54 HIS CD2 C 13 119.920 0.300 . 1 . . . . 54 HIS CD2 . 11270 1 627 . 1 1 54 54 HIS CE1 C 13 138.551 0.300 . 1 . . . . 54 HIS CE1 . 11270 1 628 . 1 1 54 54 HIS N N 15 121.570 0.300 . 1 . . . . 54 HIS N . 11270 1 629 . 1 1 55 55 SER H H 1 7.133 0.030 . 1 . . . . 55 SER H . 11270 1 630 . 1 1 55 55 SER HA H 1 4.078 0.030 . 1 . . . . 55 SER HA . 11270 1 631 . 1 1 55 55 SER HB2 H 1 3.579 0.030 . 2 . . . . 55 SER HB2 . 11270 1 632 . 1 1 55 55 SER HB3 H 1 3.832 0.030 . 2 . . . . 55 SER HB3 . 11270 1 633 . 1 1 55 55 SER C C 13 175.554 0.300 . 1 . . . . 55 SER C . 11270 1 634 . 1 1 55 55 SER CA C 13 59.912 0.300 . 1 . . . . 55 SER CA . 11270 1 635 . 1 1 55 55 SER CB C 13 62.517 0.300 . 1 . . . . 55 SER CB . 11270 1 636 . 1 1 55 55 SER N N 15 109.962 0.300 . 1 . . . . 55 SER N . 11270 1 637 . 1 1 56 56 VAL H H 1 7.330 0.030 . 1 . . . . 56 VAL H . 11270 1 638 . 1 1 56 56 VAL HA H 1 4.181 0.030 . 1 . . . . 56 VAL HA . 11270 1 639 . 1 1 56 56 VAL HB H 1 2.181 0.030 . 1 . . . . 56 VAL HB . 11270 1 640 . 1 1 56 56 VAL HG11 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11270 1 641 . 1 1 56 56 VAL HG12 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11270 1 642 . 1 1 56 56 VAL HG13 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11270 1 643 . 1 1 56 56 VAL HG21 H 1 0.771 0.030 . 1 . . . . 56 VAL HG2 . 11270 1 644 . 1 1 56 56 VAL HG22 H 1 0.771 0.030 . 1 . . . . 56 VAL HG2 . 11270 1 645 . 1 1 56 56 VAL HG23 H 1 0.771 0.030 . 1 . . . . 56 VAL HG2 . 11270 1 646 . 1 1 56 56 VAL C C 13 174.370 0.300 . 1 . . . . 56 VAL C . 11270 1 647 . 1 1 56 56 VAL CA C 13 61.424 0.300 . 1 . . . . 56 VAL CA . 11270 1 648 . 1 1 56 56 VAL CB C 13 32.259 0.300 . 1 . . . . 56 VAL CB . 11270 1 649 . 1 1 56 56 VAL CG1 C 13 22.327 0.300 . 2 . . . . 56 VAL CG1 . 11270 1 650 . 1 1 56 56 VAL CG2 C 13 20.943 0.300 . 2 . . . . 56 VAL CG2 . 11270 1 651 . 1 1 56 56 VAL N N 15 117.682 0.300 . 1 . . . . 56 VAL N . 11270 1 652 . 1 1 57 57 LEU H H 1 7.136 0.030 . 1 . . . . 57 LEU H . 11270 1 653 . 1 1 57 57 LEU HA H 1 4.823 0.030 . 1 . . . . 57 LEU HA . 11270 1 654 . 1 1 57 57 LEU HB2 H 1 0.990 0.030 . 2 . . . . 57 LEU HB2 . 11270 1 655 . 1 1 57 57 LEU HB3 H 1 1.686 0.030 . 2 . . . . 57 LEU HB3 . 11270 1 656 . 1 1 57 57 LEU HD11 H 1 0.600 0.030 . 1 . . . . 57 LEU HD1 . 11270 1 657 . 1 1 57 57 LEU HD12 H 1 0.600 0.030 . 1 . . . . 57 LEU HD1 . 11270 1 658 . 1 1 57 57 LEU HD13 H 1 0.600 0.030 . 1 . . . . 57 LEU HD1 . 11270 1 659 . 1 1 57 57 LEU HD21 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11270 1 660 . 1 1 57 57 LEU HD22 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11270 1 661 . 1 1 57 57 LEU HD23 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11270 1 662 . 1 1 57 57 LEU HG H 1 1.584 0.030 . 1 . . . . 57 LEU HG . 11270 1 663 . 1 1 57 57 LEU C C 13 176.376 0.300 . 1 . . . . 57 LEU C . 11270 1 664 . 1 1 57 57 LEU CA C 13 53.790 0.300 . 1 . . . . 57 LEU CA . 11270 1 665 . 1 1 57 57 LEU CB C 13 44.428 0.300 . 1 . . . . 57 LEU CB . 11270 1 666 . 1 1 57 57 LEU CD1 C 13 23.550 0.300 . 2 . . . . 57 LEU CD1 . 11270 1 667 . 1 1 57 57 LEU CD2 C 13 26.190 0.300 . 2 . . . . 57 LEU CD2 . 11270 1 668 . 1 1 57 57 LEU CG C 13 26.417 0.300 . 1 . . . . 57 LEU CG . 11270 1 669 . 1 1 57 57 LEU N N 15 120.201 0.300 . 1 . . . . 57 LEU N . 11270 1 670 . 1 1 58 58 GLN H H 1 8.204 0.030 . 1 . . . . 58 GLN H . 11270 1 671 . 1 1 58 58 GLN HA H 1 4.421 0.030 . 1 . . . . 58 GLN HA . 11270 1 672 . 1 1 58 58 GLN HB2 H 1 0.296 0.030 . 2 . . . . 58 GLN HB2 . 11270 1 673 . 1 1 58 58 GLN HB3 H 1 1.343 0.030 . 2 . . . . 58 GLN HB3 . 11270 1 674 . 1 1 58 58 GLN HE21 H 1 7.175 0.030 . 2 . . . . 58 GLN HE21 . 11270 1 675 . 1 1 58 58 GLN HE22 H 1 6.696 0.030 . 2 . . . . 58 GLN HE22 . 11270 1 676 . 1 1 58 58 GLN HG2 H 1 1.808 0.030 . 2 . . . . 58 GLN HG2 . 11270 1 677 . 1 1 58 58 GLN HG3 H 1 1.957 0.030 . 2 . . . . 58 GLN HG3 . 11270 1 678 . 1 1 58 58 GLN C C 13 173.306 0.300 . 1 . . . . 58 GLN C . 11270 1 679 . 1 1 58 58 GLN CA C 13 52.946 0.300 . 1 . . . . 58 GLN CA . 11270 1 680 . 1 1 58 58 GLN CB C 13 31.930 0.300 . 1 . . . . 58 GLN CB . 11270 1 681 . 1 1 58 58 GLN CG C 13 32.503 0.300 . 1 . . . . 58 GLN CG . 11270 1 682 . 1 1 58 58 GLN N N 15 118.280 0.300 . 1 . . . . 58 GLN N . 11270 1 683 . 1 1 58 58 GLN NE2 N 15 112.250 0.300 . 1 . . . . 58 GLN NE2 . 11270 1 684 . 1 1 59 59 ILE H H 1 8.333 0.030 . 1 . . . . 59 ILE H . 11270 1 685 . 1 1 59 59 ILE HA H 1 4.894 0.030 . 1 . . . . 59 ILE HA . 11270 1 686 . 1 1 59 59 ILE HB H 1 1.510 0.030 . 1 . . . . 59 ILE HB . 11270 1 687 . 1 1 59 59 ILE HD11 H 1 0.662 0.030 . 1 . . . . 59 ILE HD1 . 11270 1 688 . 1 1 59 59 ILE HD12 H 1 0.662 0.030 . 1 . . . . 59 ILE HD1 . 11270 1 689 . 1 1 59 59 ILE HD13 H 1 0.662 0.030 . 1 . . . . 59 ILE HD1 . 11270 1 690 . 1 1 59 59 ILE HG12 H 1 1.393 0.030 . 2 . . . . 59 ILE HG12 . 11270 1 691 . 1 1 59 59 ILE HG13 H 1 0.673 0.030 . 2 . . . . 59 ILE HG13 . 11270 1 692 . 1 1 59 59 ILE HG21 H 1 0.657 0.030 . 1 . . . . 59 ILE HG2 . 11270 1 693 . 1 1 59 59 ILE HG22 H 1 0.657 0.030 . 1 . . . . 59 ILE HG2 . 11270 1 694 . 1 1 59 59 ILE HG23 H 1 0.657 0.030 . 1 . . . . 59 ILE HG2 . 11270 1 695 . 1 1 59 59 ILE C C 13 174.056 0.300 . 1 . . . . 59 ILE C . 11270 1 696 . 1 1 59 59 ILE CA C 13 59.349 0.300 . 1 . . . . 59 ILE CA . 11270 1 697 . 1 1 59 59 ILE CB C 13 40.235 0.300 . 1 . . . . 59 ILE CB . 11270 1 698 . 1 1 59 59 ILE CD1 C 13 14.445 0.300 . 1 . . . . 59 ILE CD1 . 11270 1 699 . 1 1 59 59 ILE CG1 C 13 27.326 0.300 . 1 . . . . 59 ILE CG1 . 11270 1 700 . 1 1 59 59 ILE CG2 C 13 17.542 0.300 . 1 . . . . 59 ILE CG2 . 11270 1 701 . 1 1 59 59 ILE N N 15 118.336 0.300 . 1 . . . . 59 ILE N . 11270 1 702 . 1 1 60 60 ARG H H 1 9.545 0.030 . 1 . . . . 60 ARG H . 11270 1 703 . 1 1 60 60 ARG HA H 1 5.482 0.030 . 1 . . . . 60 ARG HA . 11270 1 704 . 1 1 60 60 ARG HB2 H 1 1.504 0.030 . 2 . . . . 60 ARG HB2 . 11270 1 705 . 1 1 60 60 ARG HB3 H 1 2.011 0.030 . 2 . . . . 60 ARG HB3 . 11270 1 706 . 1 1 60 60 ARG HD2 H 1 3.008 0.030 . 2 . . . . 60 ARG HD2 . 11270 1 707 . 1 1 60 60 ARG HD3 H 1 3.085 0.030 . 2 . . . . 60 ARG HD3 . 11270 1 708 . 1 1 60 60 ARG HG2 H 1 1.536 0.030 . 2 . . . . 60 ARG HG2 . 11270 1 709 . 1 1 60 60 ARG HG3 H 1 1.370 0.030 . 2 . . . . 60 ARG HG3 . 11270 1 710 . 1 1 60 60 ARG C C 13 174.201 0.300 . 1 . . . . 60 ARG C . 11270 1 711 . 1 1 60 60 ARG CA C 13 53.931 0.300 . 1 . . . . 60 ARG CA . 11270 1 712 . 1 1 60 60 ARG CB C 13 35.302 0.300 . 1 . . . . 60 ARG CB . 11270 1 713 . 1 1 60 60 ARG CD C 13 44.144 0.300 . 1 . . . . 60 ARG CD . 11270 1 714 . 1 1 60 60 ARG CG C 13 26.871 0.300 . 1 . . . . 60 ARG CG . 11270 1 715 . 1 1 60 60 ARG N N 15 127.757 0.300 . 1 . . . . 60 ARG N . 11270 1 716 . 1 1 61 61 TYR H H 1 9.240 0.030 . 1 . . . . 61 TYR H . 11270 1 717 . 1 1 61 61 TYR HA H 1 5.160 0.030 . 1 . . . . 61 TYR HA . 11270 1 718 . 1 1 61 61 TYR HB2 H 1 2.521 0.030 . 2 . . . . 61 TYR HB2 . 11270 1 719 . 1 1 61 61 TYR HB3 H 1 2.909 0.030 . 2 . . . . 61 TYR HB3 . 11270 1 720 . 1 1 61 61 TYR HD1 H 1 7.162 0.030 . 1 . . . . 61 TYR HD1 . 11270 1 721 . 1 1 61 61 TYR HD2 H 1 7.162 0.030 . 1 . . . . 61 TYR HD2 . 11270 1 722 . 1 1 61 61 TYR HE1 H 1 6.931 0.030 . 1 . . . . 61 TYR HE1 . 11270 1 723 . 1 1 61 61 TYR HE2 H 1 6.931 0.030 . 1 . . . . 61 TYR HE2 . 11270 1 724 . 1 1 61 61 TYR C C 13 174.732 0.300 . 1 . . . . 61 TYR C . 11270 1 725 . 1 1 61 61 TYR CA C 13 55.408 0.300 . 1 . . . . 61 TYR CA . 11270 1 726 . 1 1 61 61 TYR CB C 13 42.291 0.300 . 1 . . . . 61 TYR CB . 11270 1 727 . 1 1 61 61 TYR CD1 C 13 132.760 0.300 . 1 . . . . 61 TYR CD1 . 11270 1 728 . 1 1 61 61 TYR CD2 C 13 132.760 0.300 . 1 . . . . 61 TYR CD2 . 11270 1 729 . 1 1 61 61 TYR CE1 C 13 117.906 0.300 . 1 . . . . 61 TYR CE1 . 11270 1 730 . 1 1 61 61 TYR CE2 C 13 117.906 0.300 . 1 . . . . 61 TYR CE2 . 11270 1 731 . 1 1 61 61 TYR N N 15 125.394 0.300 . 1 . . . . 61 TYR N . 11270 1 732 . 1 1 62 62 SER H H 1 9.396 0.030 . 1 . . . . 62 SER H . 11270 1 733 . 1 1 62 62 SER HA H 1 3.750 0.030 . 1 . . . . 62 SER HA . 11270 1 734 . 1 1 62 62 SER HB2 H 1 2.841 0.030 . 2 . . . . 62 SER HB2 . 11270 1 735 . 1 1 62 62 SER HB3 H 1 3.766 0.030 . 2 . . . . 62 SER HB3 . 11270 1 736 . 1 1 62 62 SER C C 13 175.337 0.300 . 1 . . . . 62 SER C . 11270 1 737 . 1 1 62 62 SER CA C 13 57.751 0.300 . 1 . . . . 62 SER CA . 11270 1 738 . 1 1 62 62 SER CB C 13 62.553 0.300 . 1 . . . . 62 SER CB . 11270 1 739 . 1 1 62 62 SER N N 15 126.156 0.300 . 1 . . . . 62 SER N . 11270 1 740 . 1 1 63 63 GLY H H 1 8.666 0.030 . 1 . . . . 63 GLY H . 11270 1 741 . 1 1 63 63 GLY HA2 H 1 3.459 0.030 . 2 . . . . 63 GLY HA2 . 11270 1 742 . 1 1 63 63 GLY HA3 H 1 4.174 0.030 . 2 . . . . 63 GLY HA3 . 11270 1 743 . 1 1 63 63 GLY C C 13 173.645 0.300 . 1 . . . . 63 GLY C . 11270 1 744 . 1 1 63 63 GLY CA C 13 45.206 0.300 . 1 . . . . 63 GLY CA . 11270 1 745 . 1 1 63 63 GLY N N 15 103.765 0.300 . 1 . . . . 63 GLY N . 11270 1 746 . 1 1 64 64 LYS H H 1 8.004 0.030 . 1 . . . . 64 LYS H . 11270 1 747 . 1 1 64 64 LYS HA H 1 4.625 0.030 . 1 . . . . 64 LYS HA . 11270 1 748 . 1 1 64 64 LYS HB2 H 1 1.791 0.030 . 2 . . . . 64 LYS HB2 . 11270 1 749 . 1 1 64 64 LYS HB3 H 1 1.863 0.030 . 2 . . . . 64 LYS HB3 . 11270 1 750 . 1 1 64 64 LYS HD2 H 1 1.770 0.030 . 2 . . . . 64 LYS HD2 . 11270 1 751 . 1 1 64 64 LYS HD3 H 1 1.872 0.030 . 2 . . . . 64 LYS HD3 . 11270 1 752 . 1 1 64 64 LYS HE2 H 1 3.073 0.030 . 2 . . . . 64 LYS HE2 . 11270 1 753 . 1 1 64 64 LYS HG2 H 1 1.448 0.030 . 2 . . . . 64 LYS HG2 . 11270 1 754 . 1 1 64 64 LYS HG3 H 1 1.499 0.030 . 2 . . . . 64 LYS HG3 . 11270 1 755 . 1 1 64 64 LYS C C 13 175.035 0.300 . 1 . . . . 64 LYS C . 11270 1 756 . 1 1 64 64 LYS CA C 13 54.810 0.300 . 1 . . . . 64 LYS CA . 11270 1 757 . 1 1 64 64 LYS CB C 13 34.684 0.300 . 1 . . . . 64 LYS CB . 11270 1 758 . 1 1 64 64 LYS CD C 13 29.358 0.300 . 1 . . . . 64 LYS CD . 11270 1 759 . 1 1 64 64 LYS CE C 13 42.022 0.300 . 1 . . . . 64 LYS CE . 11270 1 760 . 1 1 64 64 LYS CG C 13 24.601 0.300 . 1 . . . . 64 LYS CG . 11270 1 761 . 1 1 64 64 LYS N N 15 122.029 0.300 . 1 . . . . 64 LYS N . 11270 1 762 . 1 1 65 65 ILE H H 1 8.620 0.030 . 1 . . . . 65 ILE H . 11270 1 763 . 1 1 65 65 ILE HA H 1 4.596 0.030 . 1 . . . . 65 ILE HA . 11270 1 764 . 1 1 65 65 ILE HB H 1 1.957 0.030 . 1 . . . . 65 ILE HB . 11270 1 765 . 1 1 65 65 ILE HD11 H 1 0.897 0.030 . 1 . . . . 65 ILE HD1 . 11270 1 766 . 1 1 65 65 ILE HD12 H 1 0.897 0.030 . 1 . . . . 65 ILE HD1 . 11270 1 767 . 1 1 65 65 ILE HD13 H 1 0.897 0.030 . 1 . . . . 65 ILE HD1 . 11270 1 768 . 1 1 65 65 ILE HG12 H 1 1.450 0.030 . 2 . . . . 65 ILE HG12 . 11270 1 769 . 1 1 65 65 ILE HG13 H 1 1.637 0.030 . 2 . . . . 65 ILE HG13 . 11270 1 770 . 1 1 65 65 ILE HG21 H 1 0.877 0.030 . 1 . . . . 65 ILE HG2 . 11270 1 771 . 1 1 65 65 ILE HG22 H 1 0.877 0.030 . 1 . . . . 65 ILE HG2 . 11270 1 772 . 1 1 65 65 ILE HG23 H 1 0.877 0.030 . 1 . . . . 65 ILE HG2 . 11270 1 773 . 1 1 65 65 ILE C C 13 176.908 0.300 . 1 . . . . 65 ILE C . 11270 1 774 . 1 1 65 65 ILE CA C 13 59.560 0.300 . 1 . . . . 65 ILE CA . 11270 1 775 . 1 1 65 65 ILE CB C 13 36.333 0.300 . 1 . . . . 65 ILE CB . 11270 1 776 . 1 1 65 65 ILE CD1 C 13 10.895 0.300 . 1 . . . . 65 ILE CD1 . 11270 1 777 . 1 1 65 65 ILE CG1 C 13 27.326 0.300 . 1 . . . . 65 ILE CG1 . 11270 1 778 . 1 1 65 65 ILE CG2 C 13 17.853 0.300 . 1 . . . . 65 ILE CG2 . 11270 1 779 . 1 1 65 65 ILE N N 15 123.615 0.300 . 1 . . . . 65 ILE N . 11270 1 780 . 1 1 66 66 LEU H H 1 8.704 0.030 . 1 . . . . 66 LEU H . 11270 1 781 . 1 1 66 66 LEU HA H 1 4.409 0.030 . 1 . . . . 66 LEU HA . 11270 1 782 . 1 1 66 66 LEU HB2 H 1 1.205 0.030 . 2 . . . . 66 LEU HB2 . 11270 1 783 . 1 1 66 66 LEU HB3 H 1 1.509 0.030 . 2 . . . . 66 LEU HB3 . 11270 1 784 . 1 1 66 66 LEU HD11 H 1 0.524 0.030 . 1 . . . . 66 LEU HD1 . 11270 1 785 . 1 1 66 66 LEU HD12 H 1 0.524 0.030 . 1 . . . . 66 LEU HD1 . 11270 1 786 . 1 1 66 66 LEU HD13 H 1 0.524 0.030 . 1 . . . . 66 LEU HD1 . 11270 1 787 . 1 1 66 66 LEU HD21 H 1 0.202 0.030 . 1 . . . . 66 LEU HD2 . 11270 1 788 . 1 1 66 66 LEU HD22 H 1 0.202 0.030 . 1 . . . . 66 LEU HD2 . 11270 1 789 . 1 1 66 66 LEU HD23 H 1 0.202 0.030 . 1 . . . . 66 LEU HD2 . 11270 1 790 . 1 1 66 66 LEU HG H 1 1.534 0.030 . 1 . . . . 66 LEU HG . 11270 1 791 . 1 1 66 66 LEU C C 13 176.231 0.300 . 1 . . . . 66 LEU C . 11270 1 792 . 1 1 66 66 LEU CA C 13 53.966 0.300 . 1 . . . . 66 LEU CA . 11270 1 793 . 1 1 66 66 LEU CB C 13 41.879 0.300 . 1 . . . . 66 LEU CB . 11270 1 794 . 1 1 66 66 LEU CD1 C 13 25.282 0.300 . 2 . . . . 66 LEU CD1 . 11270 1 795 . 1 1 66 66 LEU CD2 C 13 20.742 0.300 . 2 . . . . 66 LEU CD2 . 11270 1 796 . 1 1 66 66 LEU CG C 13 26.417 0.300 . 1 . . . . 66 LEU CG . 11270 1 797 . 1 1 66 66 LEU N N 15 128.918 0.300 . 1 . . . . 66 LEU N . 11270 1 798 . 1 1 67 67 LYS H H 1 8.502 0.030 . 1 . . . . 67 LYS H . 11270 1 799 . 1 1 67 67 LYS HA H 1 4.515 0.030 . 1 . . . . 67 LYS HA . 11270 1 800 . 1 1 67 67 LYS HB2 H 1 1.671 0.030 . 2 . . . . 67 LYS HB2 . 11270 1 801 . 1 1 67 67 LYS HB3 H 1 2.152 0.030 . 2 . . . . 67 LYS HB3 . 11270 1 802 . 1 1 67 67 LYS HD2 H 1 1.801 0.030 . 1 . . . . 67 LYS HD2 . 11270 1 803 . 1 1 67 67 LYS HD3 H 1 1.801 0.030 . 1 . . . . 67 LYS HD3 . 11270 1 804 . 1 1 67 67 LYS HE2 H 1 3.078 0.030 . 1 . . . . 67 LYS HE2 . 11270 1 805 . 1 1 67 67 LYS HE3 H 1 3.078 0.030 . 1 . . . . 67 LYS HE3 . 11270 1 806 . 1 1 67 67 LYS HG2 H 1 1.463 0.030 . 2 . . . . 67 LYS HG2 . 11270 1 807 . 1 1 67 67 LYS HG3 H 1 1.638 0.030 . 2 . . . . 67 LYS HG3 . 11270 1 808 . 1 1 67 67 LYS C C 13 177.585 0.300 . 1 . . . . 67 LYS C . 11270 1 809 . 1 1 67 67 LYS CA C 13 55.444 0.300 . 1 . . . . 67 LYS CA . 11270 1 810 . 1 1 67 67 LYS CB C 13 34.173 0.300 . 1 . . . . 67 LYS CB . 11270 1 811 . 1 1 67 67 LYS CD C 13 28.779 0.300 . 1 . . . . 67 LYS CD . 11270 1 812 . 1 1 67 67 LYS CE C 13 42.353 0.300 . 1 . . . . 67 LYS CE . 11270 1 813 . 1 1 67 67 LYS CG C 13 25.468 0.300 . 1 . . . . 67 LYS CG . 11270 1 814 . 1 1 67 67 LYS N N 15 122.517 0.300 . 1 . . . . 67 LYS N . 11270 1 815 . 1 1 68 68 ASN H H 1 8.518 0.030 . 1 . . . . 68 ASN H . 11270 1 816 . 1 1 68 68 ASN HA H 1 4.114 0.030 . 1 . . . . 68 ASN HA . 11270 1 817 . 1 1 68 68 ASN HB2 H 1 2.651 0.030 . 2 . . . . 68 ASN HB2 . 11270 1 818 . 1 1 68 68 ASN HB3 H 1 2.875 0.030 . 2 . . . . 68 ASN HB3 . 11270 1 819 . 1 1 68 68 ASN HD21 H 1 7.617 0.030 . 1 . . . . 68 ASN HD21 . 11270 1 820 . 1 1 68 68 ASN HD22 H 1 7.617 0.030 . 1 . . . . 68 ASN HD22 . 11270 1 821 . 1 1 68 68 ASN C C 13 175.385 0.300 . 1 . . . . 68 ASN C . 11270 1 822 . 1 1 68 68 ASN CA C 13 54.986 0.300 . 1 . . . . 68 ASN CA . 11270 1 823 . 1 1 68 68 ASN CB C 13 38.547 0.300 . 1 . . . . 68 ASN CB . 11270 1 824 . 1 1 68 68 ASN N N 15 117.110 0.300 . 1 . . . . 68 ASN N . 11270 1 825 . 1 1 68 68 ASN ND2 N 15 111.182 0.300 . 1 . . . . 68 ASN ND2 . 11270 1 826 . 1 1 69 69 ASN H H 1 8.081 0.030 . 1 . . . . 69 ASN H . 11270 1 827 . 1 1 69 69 ASN HA H 1 4.829 0.030 . 1 . . . . 69 ASN HA . 11270 1 828 . 1 1 69 69 ASN HB2 H 1 2.826 0.030 . 2 . . . . 69 ASN HB2 . 11270 1 829 . 1 1 69 69 ASN HB3 H 1 3.051 0.030 . 2 . . . . 69 ASN HB3 . 11270 1 830 . 1 1 69 69 ASN HD21 H 1 6.909 0.030 . 2 . . . . 69 ASN HD21 . 11270 1 831 . 1 1 69 69 ASN HD22 H 1 7.614 0.030 . 2 . . . . 69 ASN HD22 . 11270 1 832 . 1 1 69 69 ASN C C 13 174.926 0.300 . 1 . . . . 69 ASN C . 11270 1 833 . 1 1 69 69 ASN CA C 13 52.875 0.300 . 1 . . . . 69 ASN CA . 11270 1 834 . 1 1 69 69 ASN CB C 13 37.846 0.300 . 1 . . . . 69 ASN CB . 11270 1 835 . 1 1 69 69 ASN N N 15 111.158 0.300 . 1 . . . . 69 ASN N . 11270 1 836 . 1 1 69 69 ASN ND2 N 15 112.610 0.300 . 1 . . . . 69 ASN ND2 . 11270 1 837 . 1 1 70 70 GLU H H 1 7.597 0.030 . 1 . . . . 70 GLU H . 11270 1 838 . 1 1 70 70 GLU HA H 1 4.869 0.030 . 1 . . . . 70 GLU HA . 11270 1 839 . 1 1 70 70 GLU HB2 H 1 2.068 0.030 . 2 . . . . 70 GLU HB2 . 11270 1 840 . 1 1 70 70 GLU HB3 H 1 2.519 0.030 . 2 . . . . 70 GLU HB3 . 11270 1 841 . 1 1 70 70 GLU C C 13 174.394 0.300 . 1 . . . . 70 GLU C . 11270 1 842 . 1 1 70 70 GLU CA C 13 55.197 0.300 . 1 . . . . 70 GLU CA . 11270 1 843 . 1 1 70 70 GLU CB C 13 31.866 0.300 . 1 . . . . 70 GLU CB . 11270 1 844 . 1 1 70 70 GLU N N 15 119.604 0.300 . 1 . . . . 70 GLU N . 11270 1 845 . 1 1 71 71 THR H H 1 7.658 0.030 . 1 . . . . 71 THR H . 11270 1 846 . 1 1 71 71 THR HA H 1 4.783 0.030 . 1 . . . . 71 THR HA . 11270 1 847 . 1 1 71 71 THR HB H 1 5.168 0.030 . 1 . . . . 71 THR HB . 11270 1 848 . 1 1 71 71 THR HG21 H 1 0.973 0.030 . 1 . . . . 71 THR HG2 . 11270 1 849 . 1 1 71 71 THR HG22 H 1 0.973 0.030 . 1 . . . . 71 THR HG2 . 11270 1 850 . 1 1 71 71 THR HG23 H 1 0.973 0.030 . 1 . . . . 71 THR HG2 . 11270 1 851 . 1 1 71 71 THR C C 13 175.385 0.300 . 1 . . . . 71 THR C . 11270 1 852 . 1 1 71 71 THR CA C 13 58.856 0.300 . 1 . . . . 71 THR CA . 11270 1 853 . 1 1 71 71 THR CB C 13 71.480 0.300 . 1 . . . . 71 THR CB . 11270 1 854 . 1 1 71 71 THR CG2 C 13 21.423 0.300 . 1 . . . . 71 THR CG2 . 11270 1 855 . 1 1 71 71 THR N N 15 106.765 0.300 . 1 . . . . 71 THR N . 11270 1 856 . 1 1 72 72 LEU H H 1 9.762 0.030 . 1 . . . . 72 LEU H . 11270 1 857 . 1 1 72 72 LEU HA H 1 4.147 0.030 . 1 . . . . 72 LEU HA . 11270 1 858 . 1 1 72 72 LEU HB2 H 1 1.205 0.030 . 2 . . . . 72 LEU HB2 . 11270 1 859 . 1 1 72 72 LEU HB3 H 1 1.837 0.030 . 2 . . . . 72 LEU HB3 . 11270 1 860 . 1 1 72 72 LEU HD11 H 1 0.451 0.030 . 1 . . . . 72 LEU HD1 . 11270 1 861 . 1 1 72 72 LEU HD12 H 1 0.451 0.030 . 1 . . . . 72 LEU HD1 . 11270 1 862 . 1 1 72 72 LEU HD13 H 1 0.451 0.030 . 1 . . . . 72 LEU HD1 . 11270 1 863 . 1 1 72 72 LEU HD21 H 1 0.780 0.030 . 1 . . . . 72 LEU HD2 . 11270 1 864 . 1 1 72 72 LEU HD22 H 1 0.780 0.030 . 1 . . . . 72 LEU HD2 . 11270 1 865 . 1 1 72 72 LEU HD23 H 1 0.780 0.030 . 1 . . . . 72 LEU HD2 . 11270 1 866 . 1 1 72 72 LEU HG H 1 2.208 0.030 . 1 . . . . 72 LEU HG . 11270 1 867 . 1 1 72 72 LEU C C 13 181.018 0.300 . 1 . . . . 72 LEU C . 11270 1 868 . 1 1 72 72 LEU CA C 13 58.328 0.300 . 1 . . . . 72 LEU CA . 11270 1 869 . 1 1 72 72 LEU CB C 13 40.317 0.300 . 1 . . . . 72 LEU CB . 11270 1 870 . 1 1 72 72 LEU CD1 C 13 21.025 0.300 . 2 . . . . 72 LEU CD1 . 11270 1 871 . 1 1 72 72 LEU CD2 C 13 26.367 0.300 . 2 . . . . 72 LEU CD2 . 11270 1 872 . 1 1 72 72 LEU CG C 13 26.190 0.300 . 1 . . . . 72 LEU CG . 11270 1 873 . 1 1 72 72 LEU N N 15 120.298 0.300 . 1 . . . . 72 LEU N . 11270 1 874 . 1 1 73 73 VAL H H 1 8.968 0.030 . 1 . . . . 73 VAL H . 11270 1 875 . 1 1 73 73 VAL HA H 1 4.433 0.030 . 1 . . . . 73 VAL HA . 11270 1 876 . 1 1 73 73 VAL HB H 1 1.951 0.030 . 1 . . . . 73 VAL HB . 11270 1 877 . 1 1 73 73 VAL HG11 H 1 1.066 0.030 . 1 . . . . 73 VAL HG1 . 11270 1 878 . 1 1 73 73 VAL HG12 H 1 1.066 0.030 . 1 . . . . 73 VAL HG1 . 11270 1 879 . 1 1 73 73 VAL HG13 H 1 1.066 0.030 . 1 . . . . 73 VAL HG1 . 11270 1 880 . 1 1 73 73 VAL HG21 H 1 1.011 0.030 . 1 . . . . 73 VAL HG2 . 11270 1 881 . 1 1 73 73 VAL HG22 H 1 1.011 0.030 . 1 . . . . 73 VAL HG2 . 11270 1 882 . 1 1 73 73 VAL HG23 H 1 1.011 0.030 . 1 . . . . 73 VAL HG2 . 11270 1 883 . 1 1 73 73 VAL C C 13 180.075 0.300 . 1 . . . . 73 VAL C . 11270 1 884 . 1 1 73 73 VAL CA C 13 65.118 0.300 . 1 . . . . 73 VAL CA . 11270 1 885 . 1 1 73 73 VAL CB C 13 31.519 0.300 . 1 . . . . 73 VAL CB . 11270 1 886 . 1 1 73 73 VAL CG1 C 13 22.514 0.300 . 2 . . . . 73 VAL CG1 . 11270 1 887 . 1 1 73 73 VAL CG2 C 13 20.406 0.300 . 2 . . . . 73 VAL CG2 . 11270 1 888 . 1 1 73 73 VAL N N 15 121.409 0.300 . 1 . . . . 73 VAL N . 11270 1 889 . 1 1 74 74 GLN H H 1 7.588 0.030 . 1 . . . . 74 GLN H . 11270 1 890 . 1 1 74 74 GLN HA H 1 4.126 0.030 . 1 . . . . 74 GLN HA . 11270 1 891 . 1 1 74 74 GLN HB2 H 1 2.012 0.030 . 2 . . . . 74 GLN HB2 . 11270 1 892 . 1 1 74 74 GLN HB3 H 1 2.337 0.030 . 2 . . . . 74 GLN HB3 . 11270 1 893 . 1 1 74 74 GLN HE21 H 1 6.938 0.030 . 2 . . . . 74 GLN HE21 . 11270 1 894 . 1 1 74 74 GLN HE22 H 1 7.415 0.030 . 2 . . . . 74 GLN HE22 . 11270 1 895 . 1 1 74 74 GLN HG2 H 1 2.222 0.030 . 2 . . . . 74 GLN HG2 . 11270 1 896 . 1 1 74 74 GLN HG3 H 1 2.419 0.030 . 2 . . . . 74 GLN HG3 . 11270 1 897 . 1 1 74 74 GLN C C 13 176.981 0.300 . 1 . . . . 74 GLN C . 11270 1 898 . 1 1 74 74 GLN CA C 13 58.188 0.300 . 1 . . . . 74 GLN CA . 11270 1 899 . 1 1 74 74 GLN CB C 13 28.600 0.300 . 1 . . . . 74 GLN CB . 11270 1 900 . 1 1 74 74 GLN CG C 13 34.363 0.300 . 1 . . . . 74 GLN CG . 11270 1 901 . 1 1 74 74 GLN N N 15 122.677 0.300 . 1 . . . . 74 GLN N . 11270 1 902 . 1 1 74 74 GLN NE2 N 15 110.516 0.300 . 1 . . . . 74 GLN NE2 . 11270 1 903 . 1 1 75 75 HIS H H 1 7.562 0.030 . 1 . . . . 75 HIS H . 11270 1 904 . 1 1 75 75 HIS HA H 1 4.651 0.030 . 1 . . . . 75 HIS HA . 11270 1 905 . 1 1 75 75 HIS HB2 H 1 2.852 0.030 . 2 . . . . 75 HIS HB2 . 11270 1 906 . 1 1 75 75 HIS HB3 H 1 3.678 0.030 . 2 . . . . 75 HIS HB3 . 11270 1 907 . 1 1 75 75 HIS HD2 H 1 7.228 0.030 . 1 . . . . 75 HIS HD2 . 11270 1 908 . 1 1 75 75 HIS HE1 H 1 7.823 0.030 . 1 . . . . 75 HIS HE1 . 11270 1 909 . 1 1 75 75 HIS C C 13 175.434 0.300 . 1 . . . . 75 HIS C . 11270 1 910 . 1 1 75 75 HIS CA C 13 56.816 0.300 . 1 . . . . 75 HIS CA . 11270 1 911 . 1 1 75 75 HIS CB C 13 31.653 0.300 . 1 . . . . 75 HIS CB . 11270 1 912 . 1 1 75 75 HIS CD2 C 13 117.561 0.300 . 1 . . . . 75 HIS CD2 . 11270 1 913 . 1 1 75 75 HIS CE1 C 13 139.317 0.300 . 1 . . . . 75 HIS CE1 . 11270 1 914 . 1 1 75 75 HIS N N 15 117.531 0.300 . 1 . . . . 75 HIS N . 11270 1 915 . 1 1 76 76 GLY H H 1 7.910 0.030 . 1 . . . . 76 GLY H . 11270 1 916 . 1 1 76 76 GLY HA2 H 1 4.289 0.030 . 2 . . . . 76 GLY HA2 . 11270 1 917 . 1 1 76 76 GLY HA3 H 1 3.824 0.030 . 2 . . . . 76 GLY HA3 . 11270 1 918 . 1 1 76 76 GLY C C 13 173.645 0.300 . 1 . . . . 76 GLY C . 11270 1 919 . 1 1 76 76 GLY CA C 13 46.050 0.300 . 1 . . . . 76 GLY CA . 11270 1 920 . 1 1 76 76 GLY N N 15 107.902 0.300 . 1 . . . . 76 GLY N . 11270 1 921 . 1 1 77 77 VAL H H 1 7.477 0.030 . 1 . . . . 77 VAL H . 11270 1 922 . 1 1 77 77 VAL HA H 1 3.981 0.030 . 1 . . . . 77 VAL HA . 11270 1 923 . 1 1 77 77 VAL HB H 1 1.540 0.030 . 1 . . . . 77 VAL HB . 11270 1 924 . 1 1 77 77 VAL HG11 H 1 0.783 0.030 . 1 . . . . 77 VAL HG1 . 11270 1 925 . 1 1 77 77 VAL HG12 H 1 0.783 0.030 . 1 . . . . 77 VAL HG1 . 11270 1 926 . 1 1 77 77 VAL HG13 H 1 0.783 0.030 . 1 . . . . 77 VAL HG1 . 11270 1 927 . 1 1 77 77 VAL C C 13 174.757 0.300 . 1 . . . . 77 VAL C . 11270 1 928 . 1 1 77 77 VAL CA C 13 63.008 0.300 . 1 . . . . 77 VAL CA . 11270 1 929 . 1 1 77 77 VAL CB C 13 31.916 0.300 . 1 . . . . 77 VAL CB . 11270 1 930 . 1 1 77 77 VAL CG1 C 13 21.877 0.300 . 2 . . . . 77 VAL CG1 . 11270 1 931 . 1 1 77 77 VAL N N 15 122.758 0.300 . 1 . . . . 77 VAL N . 11270 1 932 . 1 1 78 78 LYS H H 1 8.282 0.030 . 1 . . . . 78 LYS H . 11270 1 933 . 1 1 78 78 LYS HB2 H 1 1.884 0.030 . 2 . . . . 78 LYS HB2 . 11270 1 934 . 1 1 78 78 LYS HB3 H 1 1.550 0.030 . 2 . . . . 78 LYS HB3 . 11270 1 935 . 1 1 78 78 LYS HG2 H 1 1.462 0.030 . 2 . . . . 78 LYS HG2 . 11270 1 936 . 1 1 78 78 LYS HG3 H 1 1.569 0.030 . 2 . . . . 78 LYS HG3 . 11270 1 937 . 1 1 78 78 LYS C C 13 173.664 0.300 . 1 . . . . 78 LYS C . 11270 1 938 . 1 1 78 78 LYS CA C 13 53.122 0.300 . 1 . . . . 78 LYS CA . 11270 1 939 . 1 1 78 78 LYS CB C 13 32.547 0.300 . 1 . . . . 78 LYS CB . 11270 1 940 . 1 1 78 78 LYS CG C 13 24.828 0.300 . 1 . . . . 78 LYS CG . 11270 1 941 . 1 1 78 78 LYS N N 15 126.110 0.300 . 1 . . . . 78 LYS N . 11270 1 942 . 1 1 79 79 PRO HA H 1 3.880 0.030 . 1 . . . . 79 PRO HA . 11270 1 943 . 1 1 79 79 PRO HB2 H 1 1.870 0.030 . 2 . . . . 79 PRO HB2 . 11270 1 944 . 1 1 79 79 PRO HB3 H 1 2.295 0.030 . 2 . . . . 79 PRO HB3 . 11270 1 945 . 1 1 79 79 PRO HD2 H 1 3.598 0.030 . 2 . . . . 79 PRO HD2 . 11270 1 946 . 1 1 79 79 PRO HD3 H 1 3.808 0.030 . 2 . . . . 79 PRO HD3 . 11270 1 947 . 1 1 79 79 PRO HG2 H 1 2.229 0.030 . 2 . . . . 79 PRO HG2 . 11270 1 948 . 1 1 79 79 PRO HG3 H 1 1.801 0.030 . 2 . . . . 79 PRO HG3 . 11270 1 949 . 1 1 79 79 PRO C C 13 176.642 0.300 . 1 . . . . 79 PRO C . 11270 1 950 . 1 1 79 79 PRO CA C 13 64.063 0.300 . 1 . . . . 79 PRO CA . 11270 1 951 . 1 1 79 79 PRO CB C 13 31.930 0.300 . 1 . . . . 79 PRO CB . 11270 1 952 . 1 1 79 79 PRO CD C 13 50.309 0.300 . 1 . . . . 79 PRO CD . 11270 1 953 . 1 1 79 79 PRO CG C 13 28.613 0.300 . 1 . . . . 79 PRO CG . 11270 1 954 . 1 1 80 80 GLN H H 1 9.035 0.030 . 1 . . . . 80 GLN H . 11270 1 955 . 1 1 80 80 GLN HA H 1 3.955 0.030 . 1 . . . . 80 GLN HA . 11270 1 956 . 1 1 80 80 GLN HB2 H 1 2.326 0.030 . 2 . . . . 80 GLN HB2 . 11270 1 957 . 1 1 80 80 GLN HB3 H 1 2.513 0.030 . 2 . . . . 80 GLN HB3 . 11270 1 958 . 1 1 80 80 GLN HG2 H 1 2.331 0.030 . 2 . . . . 80 GLN HG2 . 11270 1 959 . 1 1 80 80 GLN HG3 H 1 2.404 0.030 . 2 . . . . 80 GLN HG3 . 11270 1 960 . 1 1 80 80 GLN C C 13 175.506 0.300 . 1 . . . . 80 GLN C . 11270 1 961 . 1 1 80 80 GLN CA C 13 58.504 0.300 . 1 . . . . 80 GLN CA . 11270 1 962 . 1 1 80 80 GLN CB C 13 26.893 0.300 . 1 . . . . 80 GLN CB . 11270 1 963 . 1 1 80 80 GLN CG C 13 35.152 0.300 . 1 . . . . 80 GLN CG . 11270 1 964 . 1 1 80 80 GLN N N 15 113.173 0.300 . 1 . . . . 80 GLN N . 11270 1 965 . 1 1 81 81 GLU H H 1 7.645 0.030 . 1 . . . . 81 GLU H . 11270 1 966 . 1 1 81 81 GLU HA H 1 4.330 0.030 . 1 . . . . 81 GLU HA . 11270 1 967 . 1 1 81 81 GLU HB2 H 1 2.001 0.030 . 2 . . . . 81 GLU HB2 . 11270 1 968 . 1 1 81 81 GLU HB3 H 1 2.260 0.030 . 2 . . . . 81 GLU HB3 . 11270 1 969 . 1 1 81 81 GLU HG2 H 1 2.206 0.030 . 2 . . . . 81 GLU HG2 . 11270 1 970 . 1 1 81 81 GLU HG3 H 1 2.392 0.030 . 2 . . . . 81 GLU HG3 . 11270 1 971 . 1 1 81 81 GLU C C 13 174.757 0.300 . 1 . . . . 81 GLU C . 11270 1 972 . 1 1 81 81 GLU CA C 13 57.203 0.300 . 1 . . . . 81 GLU CA . 11270 1 973 . 1 1 81 81 GLU CB C 13 31.519 0.300 . 1 . . . . 81 GLU CB . 11270 1 974 . 1 1 81 81 GLU CG C 13 37.995 0.300 . 1 . . . . 81 GLU CG . 11270 1 975 . 1 1 81 81 GLU N N 15 120.763 0.300 . 1 . . . . 81 GLU N . 11270 1 976 . 1 1 82 82 ILE H H 1 8.230 0.030 . 1 . . . . 82 ILE H . 11270 1 977 . 1 1 82 82 ILE HA H 1 5.058 0.030 . 1 . . . . 82 ILE HA . 11270 1 978 . 1 1 82 82 ILE HB H 1 1.763 0.030 . 1 . . . . 82 ILE HB . 11270 1 979 . 1 1 82 82 ILE HD11 H 1 0.939 0.030 . 1 . . . . 82 ILE HD1 . 11270 1 980 . 1 1 82 82 ILE HD12 H 1 0.939 0.030 . 1 . . . . 82 ILE HD1 . 11270 1 981 . 1 1 82 82 ILE HD13 H 1 0.939 0.030 . 1 . . . . 82 ILE HD1 . 11270 1 982 . 1 1 82 82 ILE HG12 H 1 0.986 0.030 . 2 . . . . 82 ILE HG12 . 11270 1 983 . 1 1 82 82 ILE HG13 H 1 1.663 0.030 . 2 . . . . 82 ILE HG13 . 11270 1 984 . 1 1 82 82 ILE HG21 H 1 0.837 0.030 . 1 . . . . 82 ILE HG2 . 11270 1 985 . 1 1 82 82 ILE HG22 H 1 0.837 0.030 . 1 . . . . 82 ILE HG2 . 11270 1 986 . 1 1 82 82 ILE HG23 H 1 0.837 0.030 . 1 . . . . 82 ILE HG2 . 11270 1 987 . 1 1 82 82 ILE C C 13 176.521 0.300 . 1 . . . . 82 ILE C . 11270 1 988 . 1 1 82 82 ILE CA C 13 60.545 0.300 . 1 . . . . 82 ILE CA . 11270 1 989 . 1 1 82 82 ILE CB C 13 38.919 0.300 . 1 . . . . 82 ILE CB . 11270 1 990 . 1 1 82 82 ILE CD1 C 13 14.046 0.300 . 1 . . . . 82 ILE CD1 . 11270 1 991 . 1 1 82 82 ILE CG1 C 13 28.007 0.300 . 1 . . . . 82 ILE CG1 . 11270 1 992 . 1 1 82 82 ILE CG2 C 13 17.688 0.300 . 1 . . . . 82 ILE CG2 . 11270 1 993 . 1 1 82 82 ILE N N 15 121.089 0.300 . 1 . . . . 82 ILE N . 11270 1 994 . 1 1 83 83 VAL H H 1 8.891 0.030 . 1 . . . . 83 VAL H . 11270 1 995 . 1 1 83 83 VAL HA H 1 4.742 0.030 . 1 . . . . 83 VAL HA . 11270 1 996 . 1 1 83 83 VAL HB H 1 2.047 0.030 . 1 . . . . 83 VAL HB . 11270 1 997 . 1 1 83 83 VAL HG11 H 1 0.683 0.030 . 1 . . . . 83 VAL HG1 . 11270 1 998 . 1 1 83 83 VAL HG12 H 1 0.683 0.030 . 1 . . . . 83 VAL HG1 . 11270 1 999 . 1 1 83 83 VAL HG13 H 1 0.683 0.030 . 1 . . . . 83 VAL HG1 . 11270 1 1000 . 1 1 83 83 VAL HG21 H 1 0.834 0.030 . 1 . . . . 83 VAL HG2 . 11270 1 1001 . 1 1 83 83 VAL HG22 H 1 0.834 0.030 . 1 . . . . 83 VAL HG2 . 11270 1 1002 . 1 1 83 83 VAL HG23 H 1 0.834 0.030 . 1 . . . . 83 VAL HG2 . 11270 1 1003 . 1 1 83 83 VAL C C 13 172.823 0.300 . 1 . . . . 83 VAL C . 11270 1 1004 . 1 1 83 83 VAL CA C 13 59.278 0.300 . 1 . . . . 83 VAL CA . 11270 1 1005 . 1 1 83 83 VAL CB C 13 35.302 0.300 . 1 . . . . 83 VAL CB . 11270 1 1006 . 1 1 83 83 VAL CG1 C 13 20.465 0.300 . 2 . . . . 83 VAL CG1 . 11270 1 1007 . 1 1 83 83 VAL CG2 C 13 21.877 0.300 . 2 . . . . 83 VAL CG2 . 11270 1 1008 . 1 1 83 83 VAL N N 15 124.754 0.300 . 1 . . . . 83 VAL N . 11270 1 1009 . 1 1 84 84 GLN H H 1 8.741 0.030 . 1 . . . . 84 GLN H . 11270 1 1010 . 1 1 84 84 GLN HA H 1 5.638 0.030 . 1 . . . . 84 GLN HA . 11270 1 1011 . 1 1 84 84 GLN HB2 H 1 2.014 0.030 . 2 . . . . 84 GLN HB2 . 11270 1 1012 . 1 1 84 84 GLN HB3 H 1 2.146 0.030 . 2 . . . . 84 GLN HB3 . 11270 1 1013 . 1 1 84 84 GLN HE21 H 1 6.931 0.030 . 2 . . . . 84 GLN HE21 . 11270 1 1014 . 1 1 84 84 GLN HE22 H 1 7.681 0.030 . 2 . . . . 84 GLN HE22 . 11270 1 1015 . 1 1 84 84 GLN HG2 H 1 2.351 0.030 . 2 . . . . 84 GLN HG2 . 11270 1 1016 . 1 1 84 84 GLN HG3 H 1 2.216 0.030 . 2 . . . . 84 GLN HG3 . 11270 1 1017 . 1 1 84 84 GLN C C 13 175.627 0.300 . 1 . . . . 84 GLN C . 11270 1 1018 . 1 1 84 84 GLN CA C 13 54.529 0.300 . 1 . . . . 84 GLN CA . 11270 1 1019 . 1 1 84 84 GLN CB C 13 31.355 0.300 . 1 . . . . 84 GLN CB . 11270 1 1020 . 1 1 84 84 GLN CG C 13 34.904 0.300 . 1 . . . . 84 GLN CG . 11270 1 1021 . 1 1 84 84 GLN N N 15 125.335 0.300 . 1 . . . . 84 GLN N . 11270 1 1022 . 1 1 84 84 GLN NE2 N 15 113.407 0.300 . 1 . . . . 84 GLN NE2 . 11270 1 1023 . 1 1 85 85 VAL H H 1 8.959 0.030 . 1 . . . . 85 VAL H . 11270 1 1024 . 1 1 85 85 VAL HA H 1 5.205 0.030 . 1 . . . . 85 VAL HA . 11270 1 1025 . 1 1 85 85 VAL HB H 1 2.094 0.030 . 1 . . . . 85 VAL HB . 11270 1 1026 . 1 1 85 85 VAL HG11 H 1 0.640 0.030 . 1 . . . . 85 VAL HG1 . 11270 1 1027 . 1 1 85 85 VAL HG12 H 1 0.640 0.030 . 1 . . . . 85 VAL HG1 . 11270 1 1028 . 1 1 85 85 VAL HG13 H 1 0.640 0.030 . 1 . . . . 85 VAL HG1 . 11270 1 1029 . 1 1 85 85 VAL HG21 H 1 0.514 0.030 . 1 . . . . 85 VAL HG2 . 11270 1 1030 . 1 1 85 85 VAL HG22 H 1 0.514 0.030 . 1 . . . . 85 VAL HG2 . 11270 1 1031 . 1 1 85 85 VAL HG23 H 1 0.514 0.030 . 1 . . . . 85 VAL HG2 . 11270 1 1032 . 1 1 85 85 VAL C C 13 174.128 0.300 . 1 . . . . 85 VAL C . 11270 1 1033 . 1 1 85 85 VAL CA C 13 58.610 0.300 . 1 . . . . 85 VAL CA . 11270 1 1034 . 1 1 85 85 VAL CB C 13 34.659 0.300 . 1 . . . . 85 VAL CB . 11270 1 1035 . 1 1 85 85 VAL CG1 C 13 20.969 0.300 . 2 . . . . 85 VAL CG1 . 11270 1 1036 . 1 1 85 85 VAL CG2 C 13 20.278 0.300 . 2 . . . . 85 VAL CG2 . 11270 1 1037 . 1 1 85 85 VAL N N 15 118.941 0.300 . 1 . . . . 85 VAL N . 11270 1 1038 . 1 1 86 86 GLU H H 1 9.040 0.030 . 1 . . . . 86 GLU H . 11270 1 1039 . 1 1 86 86 GLU HA H 1 5.469 0.030 . 1 . . . . 86 GLU HA . 11270 1 1040 . 1 1 86 86 GLU HB2 H 1 2.001 0.030 . 2 . . . . 86 GLU HB2 . 11270 1 1041 . 1 1 86 86 GLU HB3 H 1 2.071 0.030 . 2 . . . . 86 GLU HB3 . 11270 1 1042 . 1 1 86 86 GLU HG2 H 1 2.241 0.030 . 1 . . . . 86 GLU HG2 . 11270 1 1043 . 1 1 86 86 GLU HG3 H 1 2.241 0.030 . 1 . . . . 86 GLU HG3 . 11270 1 1044 . 1 1 86 86 GLU C C 13 175.699 0.300 . 1 . . . . 86 GLU C . 11270 1 1045 . 1 1 86 86 GLU CA C 13 54.494 0.300 . 1 . . . . 86 GLU CA . 11270 1 1046 . 1 1 86 86 GLU CB C 13 33.164 0.300 . 1 . . . . 86 GLU CB . 11270 1 1047 . 1 1 86 86 GLU CG C 13 36.633 0.300 . 1 . . . . 86 GLU CG . 11270 1 1048 . 1 1 86 86 GLU N N 15 119.619 0.300 . 1 . . . . 86 GLU N . 11270 1 1049 . 1 1 87 87 ILE H H 1 8.606 0.030 . 1 . . . . 87 ILE H . 11270 1 1050 . 1 1 87 87 ILE HA H 1 5.399 0.030 . 1 . . . . 87 ILE HA . 11270 1 1051 . 1 1 87 87 ILE HB H 1 1.154 0.030 . 1 . . . . 87 ILE HB . 11270 1 1052 . 1 1 87 87 ILE HD11 H 1 0.153 0.030 . 1 . . . . 87 ILE HD1 . 11270 1 1053 . 1 1 87 87 ILE HD12 H 1 0.153 0.030 . 1 . . . . 87 ILE HD1 . 11270 1 1054 . 1 1 87 87 ILE HD13 H 1 0.153 0.030 . 1 . . . . 87 ILE HD1 . 11270 1 1055 . 1 1 87 87 ILE HG12 H 1 0.837 0.030 . 2 . . . . 87 ILE HG12 . 11270 1 1056 . 1 1 87 87 ILE HG13 H 1 1.298 0.030 . 2 . . . . 87 ILE HG13 . 11270 1 1057 . 1 1 87 87 ILE HG21 H 1 0.565 0.030 . 1 . . . . 87 ILE HG2 . 11270 1 1058 . 1 1 87 87 ILE HG22 H 1 0.565 0.030 . 1 . . . . 87 ILE HG2 . 11270 1 1059 . 1 1 87 87 ILE HG23 H 1 0.565 0.030 . 1 . . . . 87 ILE HG2 . 11270 1 1060 . 1 1 87 87 ILE C C 13 172.847 0.300 . 1 . . . . 87 ILE C . 11270 1 1061 . 1 1 87 87 ILE CA C 13 59.560 0.300 . 1 . . . . 87 ILE CA . 11270 1 1062 . 1 1 87 87 ILE CB C 13 41.174 0.300 . 1 . . . . 87 ILE CB . 11270 1 1063 . 1 1 87 87 ILE CD1 C 13 13.743 0.300 . 1 . . . . 87 ILE CD1 . 11270 1 1064 . 1 1 87 87 ILE CG1 C 13 28.303 0.300 . 1 . . . . 87 ILE CG1 . 11270 1 1065 . 1 1 87 87 ILE CG2 C 13 17.207 0.300 . 1 . . . . 87 ILE CG2 . 11270 1 1066 . 1 1 87 87 ILE N N 15 120.430 0.300 . 1 . . . . 87 ILE N . 11270 1 1067 . 1 1 88 88 PHE H H 1 8.057 0.030 . 1 . . . . 88 PHE H . 11270 1 1068 . 1 1 88 88 PHE HA H 1 5.187 0.030 . 1 . . . . 88 PHE HA . 11270 1 1069 . 1 1 88 88 PHE HB2 H 1 2.860 0.030 . 2 . . . . 88 PHE HB2 . 11270 1 1070 . 1 1 88 88 PHE HB3 H 1 3.210 0.030 . 2 . . . . 88 PHE HB3 . 11270 1 1071 . 1 1 88 88 PHE HD1 H 1 6.829 0.030 . 1 . . . . 88 PHE HD1 . 11270 1 1072 . 1 1 88 88 PHE HD2 H 1 6.829 0.030 . 1 . . . . 88 PHE HD2 . 11270 1 1073 . 1 1 88 88 PHE HE1 H 1 7.006 0.030 . 1 . . . . 88 PHE HE1 . 11270 1 1074 . 1 1 88 88 PHE HE2 H 1 7.006 0.030 . 1 . . . . 88 PHE HE2 . 11270 1 1075 . 1 1 88 88 PHE HZ H 1 7.118 0.030 . 1 . . . . 88 PHE HZ . 11270 1 1076 . 1 1 88 88 PHE C C 13 172.025 0.300 . 1 . . . . 88 PHE C . 11270 1 1077 . 1 1 88 88 PHE CA C 13 54.564 0.300 . 1 . . . . 88 PHE CA . 11270 1 1078 . 1 1 88 88 PHE CB C 13 41.962 0.300 . 1 . . . . 88 PHE CB . 11270 1 1079 . 1 1 88 88 PHE CD1 C 13 132.378 0.300 . 1 . . . . 88 PHE CD1 . 11270 1 1080 . 1 1 88 88 PHE CD2 C 13 132.378 0.300 . 1 . . . . 88 PHE CD2 . 11270 1 1081 . 1 1 88 88 PHE CE1 C 13 130.870 0.300 . 1 . . . . 88 PHE CE1 . 11270 1 1082 . 1 1 88 88 PHE CE2 C 13 130.870 0.300 . 1 . . . . 88 PHE CE2 . 11270 1 1083 . 1 1 88 88 PHE CZ C 13 129.670 0.300 . 1 . . . . 88 PHE CZ . 11270 1 1084 . 1 1 88 88 PHE N N 15 120.395 0.300 . 1 . . . . 88 PHE N . 11270 1 1085 . 1 1 89 89 SER H H 1 8.892 0.030 . 1 . . . . 89 SER H . 11270 1 1086 . 1 1 89 89 SER HA H 1 5.341 0.030 . 1 . . . . 89 SER HA . 11270 1 1087 . 1 1 89 89 SER HB2 H 1 3.892 0.030 . 1 . . . . 89 SER HB2 . 11270 1 1088 . 1 1 89 89 SER HB3 H 1 3.892 0.030 . 1 . . . . 89 SER HB3 . 11270 1 1089 . 1 1 89 89 SER C C 13 176.739 0.300 . 1 . . . . 89 SER C . 11270 1 1090 . 1 1 89 89 SER CA C 13 54.423 0.300 . 1 . . . . 89 SER CA . 11270 1 1091 . 1 1 89 89 SER CB C 13 66.135 0.300 . 1 . . . . 89 SER CB . 11270 1 1092 . 1 1 89 89 SER N N 15 112.629 0.300 . 1 . . . . 89 SER N . 11270 1 1093 . 1 1 90 90 THR H H 1 9.337 0.030 . 1 . . . . 90 THR H . 11270 1 1094 . 1 1 90 90 THR HA H 1 4.456 0.030 . 1 . . . . 90 THR HA . 11270 1 1095 . 1 1 90 90 THR HB H 1 4.638 0.030 . 1 . . . . 90 THR HB . 11270 1 1096 . 1 1 90 90 THR HG21 H 1 1.286 0.030 . 1 . . . . 90 THR HG2 . 11270 1 1097 . 1 1 90 90 THR HG22 H 1 1.286 0.030 . 1 . . . . 90 THR HG2 . 11270 1 1098 . 1 1 90 90 THR HG23 H 1 1.286 0.030 . 1 . . . . 90 THR HG2 . 11270 1 1099 . 1 1 90 90 THR C C 13 174.805 0.300 . 1 . . . . 90 THR C . 11270 1 1100 . 1 1 90 90 THR CA C 13 62.621 0.300 . 1 . . . . 90 THR CA . 11270 1 1101 . 1 1 90 90 THR CB C 13 69.013 0.300 . 1 . . . . 90 THR CB . 11270 1 1102 . 1 1 90 90 THR CG2 C 13 22.785 0.300 . 1 . . . . 90 THR CG2 . 11270 1 1103 . 1 1 90 90 THR N N 15 116.849 0.300 . 1 . . . . 90 THR N . 11270 1 1104 . 1 1 91 91 ASN H H 1 8.200 0.030 . 1 . . . . 91 ASN H . 11270 1 1105 . 1 1 91 91 ASN HA H 1 5.139 0.030 . 1 . . . . 91 ASN HA . 11270 1 1106 . 1 1 91 91 ASN HB2 H 1 2.767 0.030 . 2 . . . . 91 ASN HB2 . 11270 1 1107 . 1 1 91 91 ASN HB3 H 1 3.140 0.030 . 2 . . . . 91 ASN HB3 . 11270 1 1108 . 1 1 91 91 ASN HD21 H 1 7.950 0.030 . 2 . . . . 91 ASN HD21 . 11270 1 1109 . 1 1 91 91 ASN HD22 H 1 6.917 0.030 . 2 . . . . 91 ASN HD22 . 11270 1 1110 . 1 1 91 91 ASN C C 13 171.580 0.300 . 1 . . . . 91 ASN C . 11270 1 1111 . 1 1 91 91 ASN CA C 13 50.624 0.300 . 1 . . . . 91 ASN CA . 11270 1 1112 . 1 1 91 91 ASN CB C 13 38.709 0.300 . 1 . . . . 91 ASN CB . 11270 1 1113 . 1 1 91 91 ASN N N 15 117.034 0.300 . 1 . . . . 91 ASN N . 11270 1 1114 . 1 1 91 91 ASN ND2 N 15 111.709 0.300 . 1 . . . . 91 ASN ND2 . 11270 1 1115 . 1 1 92 92 PRO HA H 1 4.163 0.030 . 1 . . . . 92 PRO HA . 11270 1 1116 . 1 1 92 92 PRO HB2 H 1 2.057 0.030 . 2 . . . . 92 PRO HB2 . 11270 1 1117 . 1 1 92 92 PRO HB3 H 1 2.471 0.030 . 2 . . . . 92 PRO HB3 . 11270 1 1118 . 1 1 92 92 PRO HD2 H 1 3.818 0.030 . 2 . . . . 92 PRO HD2 . 11270 1 1119 . 1 1 92 92 PRO HD3 H 1 3.437 0.030 . 2 . . . . 92 PRO HD3 . 11270 1 1120 . 1 1 92 92 PRO HG2 H 1 2.050 0.030 . 2 . . . . 92 PRO HG2 . 11270 1 1121 . 1 1 92 92 PRO C C 13 176.304 0.300 . 1 . . . . 92 PRO C . 11270 1 1122 . 1 1 92 92 PRO CA C 13 64.204 0.300 . 1 . . . . 92 PRO CA . 11270 1 1123 . 1 1 92 92 PRO CB C 13 32.547 0.300 . 1 . . . . 92 PRO CB . 11270 1 1124 . 1 1 92 92 PRO CD C 13 50.434 0.300 . 1 . . . . 92 PRO CD . 11270 1 1125 . 1 1 92 92 PRO CG C 13 27.041 0.300 . 1 . . . . 92 PRO CG . 11270 1 1126 . 1 1 93 93 ASP H H 1 7.823 0.030 . 1 . . . . 93 ASP H . 11270 1 1127 . 1 1 93 93 ASP HA H 1 4.376 0.030 . 1 . . . . 93 ASP HA . 11270 1 1128 . 1 1 93 93 ASP HB2 H 1 2.628 0.030 . 1 . . . . 93 ASP HB2 . 11270 1 1129 . 1 1 93 93 ASP HB3 H 1 2.628 0.030 . 1 . . . . 93 ASP HB3 . 11270 1 1130 . 1 1 93 93 ASP C C 13 176.618 0.300 . 1 . . . . 93 ASP C . 11270 1 1131 . 1 1 93 93 ASP CA C 13 56.745 0.300 . 1 . . . . 93 ASP CA . 11270 1 1132 . 1 1 93 93 ASP CB C 13 40.646 0.300 . 1 . . . . 93 ASP CB . 11270 1 1133 . 1 1 93 93 ASP N N 15 116.244 0.300 . 1 . . . . 93 ASP N . 11270 1 1134 . 1 1 94 94 LEU H H 1 6.784 0.030 . 1 . . . . 94 LEU H . 11270 1 1135 . 1 1 94 94 LEU HA H 1 4.157 0.030 . 1 . . . . 94 LEU HA . 11270 1 1136 . 1 1 94 94 LEU HB2 H 1 0.840 0.030 . 2 . . . . 94 LEU HB2 . 11270 1 1137 . 1 1 94 94 LEU HB3 H 1 1.106 0.030 . 2 . . . . 94 LEU HB3 . 11270 1 1138 . 1 1 94 94 LEU HD11 H 1 0.772 0.030 . 1 . . . . 94 LEU HD1 . 11270 1 1139 . 1 1 94 94 LEU HD12 H 1 0.772 0.030 . 1 . . . . 94 LEU HD1 . 11270 1 1140 . 1 1 94 94 LEU HD13 H 1 0.772 0.030 . 1 . . . . 94 LEU HD1 . 11270 1 1141 . 1 1 94 94 LEU HD21 H 1 0.697 0.030 . 1 . . . . 94 LEU HD2 . 11270 1 1142 . 1 1 94 94 LEU HD22 H 1 0.697 0.030 . 1 . . . . 94 LEU HD2 . 11270 1 1143 . 1 1 94 94 LEU HD23 H 1 0.697 0.030 . 1 . . . . 94 LEU HD2 . 11270 1 1144 . 1 1 94 94 LEU HG H 1 0.994 0.030 . 1 . . . . 94 LEU HG . 11270 1 1145 . 1 1 94 94 LEU C C 13 176.255 0.300 . 1 . . . . 94 LEU C . 11270 1 1146 . 1 1 94 94 LEU CA C 13 55.338 0.300 . 1 . . . . 94 LEU CA . 11270 1 1147 . 1 1 94 94 LEU CB C 13 44.675 0.300 . 1 . . . . 94 LEU CB . 11270 1 1148 . 1 1 94 94 LEU CD1 C 13 24.033 0.300 . 2 . . . . 94 LEU CD1 . 11270 1 1149 . 1 1 94 94 LEU CD2 C 13 23.920 0.300 . 2 . . . . 94 LEU CD2 . 11270 1 1150 . 1 1 94 94 LEU CG C 13 26.644 0.300 . 1 . . . . 94 LEU CG . 11270 1 1151 . 1 1 94 94 LEU N N 15 117.379 0.300 . 1 . . . . 94 LEU N . 11270 1 1152 . 1 1 95 95 TYR H H 1 8.170 0.030 . 1 . . . . 95 TYR H . 11270 1 1153 . 1 1 95 95 TYR HA H 1 5.089 0.030 . 1 . . . . 95 TYR HA . 11270 1 1154 . 1 1 95 95 TYR HB2 H 1 3.076 0.030 . 2 . . . . 95 TYR HB2 . 11270 1 1155 . 1 1 95 95 TYR HB3 H 1 2.731 0.030 . 2 . . . . 95 TYR HB3 . 11270 1 1156 . 1 1 95 95 TYR HD1 H 1 7.196 0.030 . 1 . . . . 95 TYR HD1 . 11270 1 1157 . 1 1 95 95 TYR HD2 H 1 7.196 0.030 . 1 . . . . 95 TYR HD2 . 11270 1 1158 . 1 1 95 95 TYR HE1 H 1 6.856 0.030 . 1 . . . . 95 TYR HE1 . 11270 1 1159 . 1 1 95 95 TYR HE2 H 1 6.856 0.030 . 1 . . . . 95 TYR HE2 . 11270 1 1160 . 1 1 95 95 TYR C C 13 171.217 0.300 . 1 . . . . 95 TYR C . 11270 1 1161 . 1 1 95 95 TYR CA C 13 54.283 0.300 . 1 . . . . 95 TYR CA . 11270 1 1162 . 1 1 95 95 TYR CB C 13 40.266 0.300 . 1 . . . . 95 TYR CB . 11270 1 1163 . 1 1 95 95 TYR CD1 C 13 134.022 0.300 . 1 . . . . 95 TYR CD1 . 11270 1 1164 . 1 1 95 95 TYR CD2 C 13 134.022 0.300 . 1 . . . . 95 TYR CD2 . 11270 1 1165 . 1 1 95 95 TYR CE1 C 13 118.226 0.300 . 1 . . . . 95 TYR CE1 . 11270 1 1166 . 1 1 95 95 TYR CE2 C 13 118.226 0.300 . 1 . . . . 95 TYR CE2 . 11270 1 1167 . 1 1 95 95 TYR N N 15 115.512 0.300 . 1 . . . . 95 TYR N . 11270 1 1168 . 1 1 96 96 PRO HA H 1 4.844 0.030 . 1 . . . . 96 PRO HA . 11270 1 1169 . 1 1 96 96 PRO HB2 H 1 1.728 0.030 . 2 . . . . 96 PRO HB2 . 11270 1 1170 . 1 1 96 96 PRO HB3 H 1 2.432 0.030 . 2 . . . . 96 PRO HB3 . 11270 1 1171 . 1 1 96 96 PRO HD2 H 1 3.159 0.030 . 2 . . . . 96 PRO HD2 . 11270 1 1172 . 1 1 96 96 PRO HD3 H 1 3.580 0.030 . 2 . . . . 96 PRO HD3 . 11270 1 1173 . 1 1 96 96 PRO HG2 H 1 1.964 0.030 . 2 . . . . 96 PRO HG2 . 11270 1 1174 . 1 1 96 96 PRO HG3 H 1 2.022 0.030 . 2 . . . . 96 PRO HG3 . 11270 1 1175 . 1 1 96 96 PRO C C 13 177.972 0.300 . 1 . . . . 96 PRO C . 11270 1 1176 . 1 1 96 96 PRO CA C 13 62.726 0.300 . 1 . . . . 96 PRO CA . 11270 1 1177 . 1 1 96 96 PRO CB C 13 31.602 0.300 . 1 . . . . 96 PRO CB . 11270 1 1178 . 1 1 96 96 PRO CD C 13 49.802 0.300 . 1 . . . . 96 PRO CD . 11270 1 1179 . 1 1 96 96 PRO CG C 13 26.710 0.300 . 1 . . . . 96 PRO CG . 11270 1 1180 . 1 1 97 97 VAL H H 1 9.413 0.030 . 1 . . . . 97 VAL H . 11270 1 1181 . 1 1 97 97 VAL HA H 1 3.787 0.030 . 1 . . . . 97 VAL HA . 11270 1 1182 . 1 1 97 97 VAL HB H 1 2.297 0.030 . 1 . . . . 97 VAL HB . 11270 1 1183 . 1 1 97 97 VAL HG11 H 1 0.861 0.030 . 1 . . . . 97 VAL HG1 . 11270 1 1184 . 1 1 97 97 VAL HG12 H 1 0.861 0.030 . 1 . . . . 97 VAL HG1 . 11270 1 1185 . 1 1 97 97 VAL HG13 H 1 0.861 0.030 . 1 . . . . 97 VAL HG1 . 11270 1 1186 . 1 1 97 97 VAL HG21 H 1 1.004 0.030 . 1 . . . . 97 VAL HG2 . 11270 1 1187 . 1 1 97 97 VAL HG22 H 1 1.004 0.030 . 1 . . . . 97 VAL HG2 . 11270 1 1188 . 1 1 97 97 VAL HG23 H 1 1.004 0.030 . 1 . . . . 97 VAL HG2 . 11270 1 1189 . 1 1 97 97 VAL C C 13 174.491 0.300 . 1 . . . . 97 VAL C . 11270 1 1190 . 1 1 97 97 VAL CA C 13 63.887 0.300 . 1 . . . . 97 VAL CA . 11270 1 1191 . 1 1 97 97 VAL CB C 13 32.013 0.300 . 1 . . . . 97 VAL CB . 11270 1 1192 . 1 1 97 97 VAL CG1 C 13 23.012 0.300 . 2 . . . . 97 VAL CG1 . 11270 1 1193 . 1 1 97 97 VAL CG2 C 13 22.558 0.300 . 2 . . . . 97 VAL CG2 . 11270 1 1194 . 1 1 97 97 VAL N N 15 123.145 0.300 . 1 . . . . 97 VAL N . 11270 1 1195 . 1 1 98 98 ARG H H 1 7.429 0.030 . 1 . . . . 98 ARG H . 11270 1 1196 . 1 1 98 98 ARG HA H 1 4.585 0.030 . 1 . . . . 98 ARG HA . 11270 1 1197 . 1 1 98 98 ARG HB2 H 1 1.916 0.030 . 2 . . . . 98 ARG HB2 . 11270 1 1198 . 1 1 98 98 ARG HB3 H 1 1.748 0.030 . 2 . . . . 98 ARG HB3 . 11270 1 1199 . 1 1 98 98 ARG HD2 H 1 3.231 0.030 . 1 . . . . 98 ARG HD2 . 11270 1 1200 . 1 1 98 98 ARG HD3 H 1 3.231 0.030 . 1 . . . . 98 ARG HD3 . 11270 1 1201 . 1 1 98 98 ARG HG2 H 1 1.569 0.030 . 2 . . . . 98 ARG HG2 . 11270 1 1202 . 1 1 98 98 ARG HG3 H 1 1.635 0.030 . 2 . . . . 98 ARG HG3 . 11270 1 1203 . 1 1 98 98 ARG C C 13 173.862 0.300 . 1 . . . . 98 ARG C . 11270 1 1204 . 1 1 98 98 ARG CA C 13 53.860 0.300 . 1 . . . . 98 ARG CA . 11270 1 1205 . 1 1 98 98 ARG CB C 13 33.001 0.300 . 1 . . . . 98 ARG CB . 11270 1 1206 . 1 1 98 98 ARG CD C 13 43.512 0.300 . 1 . . . . 98 ARG CD . 11270 1 1207 . 1 1 98 98 ARG CG C 13 27.326 0.300 . 1 . . . . 98 ARG CG . 11270 1 1208 . 1 1 98 98 ARG N N 15 126.302 0.300 . 1 . . . . 98 ARG N . 11270 1 1209 . 1 1 99 99 ARG H H 1 8.085 0.030 . 1 . . . . 99 ARG H . 11270 1 1210 . 1 1 99 99 ARG HA H 1 4.146 0.030 . 1 . . . . 99 ARG HA . 11270 1 1211 . 1 1 99 99 ARG HB2 H 1 1.662 0.030 . 1 . . . . 99 ARG HB2 . 11270 1 1212 . 1 1 99 99 ARG HB3 H 1 1.662 0.030 . 1 . . . . 99 ARG HB3 . 11270 1 1213 . 1 1 99 99 ARG HD2 H 1 3.219 0.030 . 1 . . . . 99 ARG HD2 . 11270 1 1214 . 1 1 99 99 ARG HD3 H 1 3.219 0.030 . 1 . . . . 99 ARG HD3 . 11270 1 1215 . 1 1 99 99 ARG HG2 H 1 1.382 0.030 . 2 . . . . 99 ARG HG2 . 11270 1 1216 . 1 1 99 99 ARG HG3 H 1 1.569 0.030 . 2 . . . . 99 ARG HG3 . 11270 1 1217 . 1 1 99 99 ARG C C 13 176.908 0.300 . 1 . . . . 99 ARG C . 11270 1 1218 . 1 1 99 99 ARG CA C 13 56.851 0.300 . 1 . . . . 99 ARG CA . 11270 1 1219 . 1 1 99 99 ARG CB C 13 31.185 0.300 . 1 . . . . 99 ARG CB . 11270 1 1220 . 1 1 99 99 ARG CD C 13 43.217 0.300 . 1 . . . . 99 ARG CD . 11270 1 1221 . 1 1 99 99 ARG CG C 13 28.448 0.300 . 1 . . . . 99 ARG CG . 11270 1 1222 . 1 1 99 99 ARG N N 15 116.353 0.300 . 1 . . . . 99 ARG N . 11270 1 1223 . 1 1 100 100 ILE H H 1 9.652 0.030 . 1 . . . . 100 ILE H . 11270 1 1224 . 1 1 100 100 ILE HA H 1 4.241 0.030 . 1 . . . . 100 ILE HA . 11270 1 1225 . 1 1 100 100 ILE HB H 1 1.795 0.030 . 1 . . . . 100 ILE HB . 11270 1 1226 . 1 1 100 100 ILE HD11 H 1 0.896 0.030 . 1 . . . . 100 ILE HD1 . 11270 1 1227 . 1 1 100 100 ILE HD12 H 1 0.896 0.030 . 1 . . . . 100 ILE HD1 . 11270 1 1228 . 1 1 100 100 ILE HD13 H 1 0.896 0.030 . 1 . . . . 100 ILE HD1 . 11270 1 1229 . 1 1 100 100 ILE HG12 H 1 1.683 0.030 . 2 . . . . 100 ILE HG12 . 11270 1 1230 . 1 1 100 100 ILE HG13 H 1 1.029 0.030 . 2 . . . . 100 ILE HG13 . 11270 1 1231 . 1 1 100 100 ILE HG21 H 1 0.920 0.030 . 1 . . . . 100 ILE HG2 . 11270 1 1232 . 1 1 100 100 ILE HG22 H 1 0.920 0.030 . 1 . . . . 100 ILE HG2 . 11270 1 1233 . 1 1 100 100 ILE HG23 H 1 0.920 0.030 . 1 . . . . 100 ILE HG2 . 11270 1 1234 . 1 1 100 100 ILE C C 13 176.425 0.300 . 1 . . . . 100 ILE C . 11270 1 1235 . 1 1 100 100 ILE CA C 13 60.686 0.300 . 1 . . . . 100 ILE CA . 11270 1 1236 . 1 1 100 100 ILE CB C 13 39.330 0.300 . 1 . . . . 100 ILE CB . 11270 1 1237 . 1 1 100 100 ILE CD1 C 13 14.619 0.300 . 1 . . . . 100 ILE CD1 . 11270 1 1238 . 1 1 100 100 ILE CG1 C 13 26.871 0.300 . 1 . . . . 100 ILE CG1 . 11270 1 1239 . 1 1 100 100 ILE CG2 C 13 18.102 0.300 . 1 . . . . 100 ILE CG2 . 11270 1 1240 . 1 1 100 100 ILE N N 15 125.159 0.300 . 1 . . . . 100 ILE N . 11270 1 1241 . 1 1 101 101 ASP H H 1 8.668 0.030 . 1 . . . . 101 ASP H . 11270 1 1242 . 1 1 101 101 ASP HA H 1 4.725 0.030 . 1 . . . . 101 ASP HA . 11270 1 1243 . 1 1 101 101 ASP HB2 H 1 2.604 0.030 . 2 . . . . 101 ASP HB2 . 11270 1 1244 . 1 1 101 101 ASP HB3 H 1 2.715 0.030 . 2 . . . . 101 ASP HB3 . 11270 1 1245 . 1 1 101 101 ASP C C 13 176.691 0.300 . 1 . . . . 101 ASP C . 11270 1 1246 . 1 1 101 101 ASP CA C 13 54.705 0.300 . 1 . . . . 101 ASP CA . 11270 1 1247 . 1 1 101 101 ASP CB C 13 42.208 0.300 . 1 . . . . 101 ASP CB . 11270 1 1248 . 1 1 101 101 ASP N N 15 127.368 0.300 . 1 . . . . 101 ASP N . 11270 1 1249 . 1 1 102 102 GLY H H 1 8.420 0.030 . 1 . . . . 102 GLY H . 11270 1 1250 . 1 1 102 102 GLY HA2 H 1 3.943 0.030 . 2 . . . . 102 GLY HA2 . 11270 1 1251 . 1 1 102 102 GLY HA3 H 1 3.991 0.030 . 2 . . . . 102 GLY HA3 . 11270 1 1252 . 1 1 102 102 GLY C C 13 174.539 0.300 . 1 . . . . 102 GLY C . 11270 1 1253 . 1 1 102 102 GLY CA C 13 45.909 0.300 . 1 . . . . 102 GLY CA . 11270 1 1254 . 1 1 102 102 GLY N N 15 108.384 0.300 . 1 . . . . 102 GLY N . 11270 1 1255 . 1 1 103 103 LEU H H 1 8.055 0.030 . 1 . . . . 103 LEU H . 11270 1 1256 . 1 1 103 103 LEU HA H 1 4.479 0.030 . 1 . . . . 103 LEU HA . 11270 1 1257 . 1 1 103 103 LEU HB2 H 1 1.664 0.030 . 1 . . . . 103 LEU HB2 . 11270 1 1258 . 1 1 103 103 LEU HB3 H 1 1.664 0.030 . 1 . . . . 103 LEU HB3 . 11270 1 1259 . 1 1 103 103 LEU HD11 H 1 0.957 0.030 . 1 . . . . 103 LEU HD1 . 11270 1 1260 . 1 1 103 103 LEU HD12 H 1 0.957 0.030 . 1 . . . . 103 LEU HD1 . 11270 1 1261 . 1 1 103 103 LEU HD13 H 1 0.957 0.030 . 1 . . . . 103 LEU HD1 . 11270 1 1262 . 1 1 103 103 LEU HD21 H 1 0.902 0.030 . 1 . . . . 103 LEU HD2 . 11270 1 1263 . 1 1 103 103 LEU HD22 H 1 0.902 0.030 . 1 . . . . 103 LEU HD2 . 11270 1 1264 . 1 1 103 103 LEU HD23 H 1 0.902 0.030 . 1 . . . . 103 LEU HD2 . 11270 1 1265 . 1 1 103 103 LEU C C 13 177.658 0.300 . 1 . . . . 103 LEU C . 11270 1 1266 . 1 1 103 103 LEU CA C 13 55.127 0.300 . 1 . . . . 103 LEU CA . 11270 1 1267 . 1 1 103 103 LEU CB C 13 42.208 0.300 . 1 . . . . 103 LEU CB . 11270 1 1268 . 1 1 103 103 LEU CD1 C 13 25.963 0.300 . 2 . . . . 103 LEU CD1 . 11270 1 1269 . 1 1 103 103 LEU CD2 C 13 23.466 0.300 . 2 . . . . 103 LEU CD2 . 11270 1 1270 . 1 1 103 103 LEU CG C 13 26.958 0.300 . 1 . . . . 103 LEU CG . 11270 1 1271 . 1 1 103 103 LEU N N 15 120.879 0.300 . 1 . . . . 103 LEU N . 11270 1 1272 . 1 1 104 104 THR H H 1 8.194 0.030 . 1 . . . . 104 THR H . 11270 1 1273 . 1 1 104 104 THR HA H 1 4.381 0.030 . 1 . . . . 104 THR HA . 11270 1 1274 . 1 1 104 104 THR HB H 1 4.289 0.030 . 1 . . . . 104 THR HB . 11270 1 1275 . 1 1 104 104 THR HG21 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11270 1 1276 . 1 1 104 104 THR HG22 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11270 1 1277 . 1 1 104 104 THR HG23 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11270 1 1278 . 1 1 104 104 THR C C 13 174.394 0.300 . 1 . . . . 104 THR C . 11270 1 1279 . 1 1 104 104 THR CA C 13 62.234 0.300 . 1 . . . . 104 THR CA . 11270 1 1280 . 1 1 104 104 THR CB C 13 70.000 0.300 . 1 . . . . 104 THR CB . 11270 1 1281 . 1 1 104 104 THR CG2 C 13 21.661 0.300 . 1 . . . . 104 THR CG2 . 11270 1 1282 . 1 1 104 104 THR N N 15 114.776 0.300 . 1 . . . . 104 THR N . 11270 1 1283 . 1 1 105 105 ASP H H 1 8.403 0.030 . 1 . . . . 105 ASP H . 11270 1 1284 . 1 1 105 105 ASP HA H 1 4.733 0.030 . 1 . . . . 105 ASP HA . 11270 1 1285 . 1 1 105 105 ASP HB2 H 1 2.732 0.030 . 2 . . . . 105 ASP HB2 . 11270 1 1286 . 1 1 105 105 ASP HB3 H 1 2.696 0.030 . 2 . . . . 105 ASP HB3 . 11270 1 1287 . 1 1 105 105 ASP C C 13 176.763 0.300 . 1 . . . . 105 ASP C . 11270 1 1288 . 1 1 105 105 ASP CA C 13 54.599 0.300 . 1 . . . . 105 ASP CA . 11270 1 1289 . 1 1 105 105 ASP CB C 13 41.304 0.300 . 1 . . . . 105 ASP CB . 11270 1 1290 . 1 1 105 105 ASP N N 15 122.194 0.300 . 1 . . . . 105 ASP N . 11270 1 1291 . 1 1 106 106 VAL H H 1 8.152 0.030 . 1 . . . . 106 VAL H . 11270 1 1292 . 1 1 106 106 VAL HA H 1 4.218 0.030 . 1 . . . . 106 VAL HA . 11270 1 1293 . 1 1 106 106 VAL HB H 1 2.206 0.030 . 1 . . . . 106 VAL HB . 11270 1 1294 . 1 1 106 106 VAL HG11 H 1 0.968 0.030 . 1 . . . . 106 VAL HG1 . 11270 1 1295 . 1 1 106 106 VAL HG12 H 1 0.968 0.030 . 1 . . . . 106 VAL HG1 . 11270 1 1296 . 1 1 106 106 VAL HG13 H 1 0.968 0.030 . 1 . . . . 106 VAL HG1 . 11270 1 1297 . 1 1 106 106 VAL HG21 H 1 0.957 0.030 . 1 . . . . 106 VAL HG2 . 11270 1 1298 . 1 1 106 106 VAL HG22 H 1 0.957 0.030 . 1 . . . . 106 VAL HG2 . 11270 1 1299 . 1 1 106 106 VAL HG23 H 1 0.957 0.030 . 1 . . . . 106 VAL HG2 . 11270 1 1300 . 1 1 106 106 VAL C C 13 176.401 0.300 . 1 . . . . 106 VAL C . 11270 1 1301 . 1 1 106 106 VAL CA C 13 62.675 0.300 . 1 . . . . 106 VAL CA . 11270 1 1302 . 1 1 106 106 VAL CB C 13 32.259 0.300 . 1 . . . . 106 VAL CB . 11270 1 1303 . 1 1 106 106 VAL CG1 C 13 21.330 0.300 . 2 . . . . 106 VAL CG1 . 11270 1 1304 . 1 1 106 106 VAL CG2 C 13 20.288 0.300 . 2 . . . . 106 VAL CG2 . 11270 1 1305 . 1 1 106 106 VAL N N 15 119.619 0.300 . 1 . . . . 106 VAL N . 11270 1 1306 . 1 1 107 107 SER H H 1 8.385 0.030 . 1 . . . . 107 SER H . 11270 1 1307 . 1 1 107 107 SER HA H 1 4.225 0.030 . 1 . . . . 107 SER HA . 11270 1 1308 . 1 1 107 107 SER HB2 H 1 3.951 0.030 . 1 . . . . 107 SER HB2 . 11270 1 1309 . 1 1 107 107 SER HB3 H 1 3.951 0.030 . 1 . . . . 107 SER HB3 . 11270 1 1310 . 1 1 107 107 SER CA C 13 59.419 0.300 . 1 . . . . 107 SER CA . 11270 1 1311 . 1 1 107 107 SER CB C 13 63.833 0.300 . 1 . . . . 107 SER CB . 11270 1 1312 . 1 1 107 107 SER N N 15 118.050 0.300 . 1 . . . . 107 SER N . 11270 1 1313 . 1 1 108 108 GLN H H 1 8.063 0.030 . 1 . . . . 108 GLN H . 11270 1 1314 . 1 1 108 108 GLN HA H 1 4.406 0.030 . 1 . . . . 108 GLN HA . 11270 1 1315 . 1 1 108 108 GLN HB2 H 1 2.150 0.030 . 2 . . . . 108 GLN HB2 . 11270 1 1316 . 1 1 108 108 GLN HB3 H 1 1.978 0.030 . 2 . . . . 108 GLN HB3 . 11270 1 1317 . 1 1 108 108 GLN HG2 H 1 2.337 0.030 . 2 . . . . 108 GLN HG2 . 11270 1 1318 . 1 1 108 108 GLN CA C 13 55.760 0.300 . 1 . . . . 108 GLN CA . 11270 1 1319 . 1 1 108 108 GLN CB C 13 29.382 0.300 . 1 . . . . 108 GLN CB . 11270 1 1320 . 1 1 108 108 GLN CG C 13 33.911 0.300 . 1 . . . . 108 GLN CG . 11270 1 1321 . 1 1 108 108 GLN N N 15 120.685 0.300 . 1 . . . . 108 GLN N . 11270 1 1322 . 1 1 109 109 ILE H H 1 8.429 0.030 . 1 . . . . 109 ILE H . 11270 1 1323 . 1 1 109 109 ILE HA H 1 4.098 0.030 . 1 . . . . 109 ILE HA . 11270 1 1324 . 1 1 109 109 ILE HB H 1 1.791 0.030 . 1 . . . . 109 ILE HB . 11270 1 1325 . 1 1 109 109 ILE HD11 H 1 0.808 0.030 . 1 . . . . 109 ILE HD1 . 11270 1 1326 . 1 1 109 109 ILE HD12 H 1 0.808 0.030 . 1 . . . . 109 ILE HD1 . 11270 1 1327 . 1 1 109 109 ILE HD13 H 1 0.808 0.030 . 1 . . . . 109 ILE HD1 . 11270 1 1328 . 1 1 109 109 ILE HG12 H 1 1.422 0.030 . 2 . . . . 109 ILE HG12 . 11270 1 1329 . 1 1 109 109 ILE HG21 H 1 0.841 0.030 . 1 . . . . 109 ILE HG2 . 11270 1 1330 . 1 1 109 109 ILE HG22 H 1 0.841 0.030 . 1 . . . . 109 ILE HG2 . 11270 1 1331 . 1 1 109 109 ILE HG23 H 1 0.841 0.030 . 1 . . . . 109 ILE HG2 . 11270 1 1332 . 1 1 109 109 ILE C C 13 175.990 0.300 . 1 . . . . 109 ILE C . 11270 1 1333 . 1 1 109 109 ILE CA C 13 61.249 0.300 . 1 . . . . 109 ILE CA . 11270 1 1334 . 1 1 109 109 ILE CB C 13 38.590 0.300 . 1 . . . . 109 ILE CB . 11270 1 1335 . 1 1 109 109 ILE CD1 C 13 13.135 0.300 . 1 . . . . 109 ILE CD1 . 11270 1 1336 . 1 1 109 109 ILE CG2 C 13 17.522 0.300 . 1 . . . . 109 ILE CG2 . 11270 1 1337 . 1 1 109 109 ILE N N 15 126.437 0.300 . 1 . . . . 109 ILE N . 11270 1 1338 . 1 1 110 110 ILE H H 1 8.293 0.030 . 1 . . . . 110 ILE H . 11270 1 1339 . 1 1 110 110 ILE HA H 1 4.208 0.030 . 1 . . . . 110 ILE HA . 11270 1 1340 . 1 1 110 110 ILE HB H 1 1.867 0.030 . 1 . . . . 110 ILE HB . 11270 1 1341 . 1 1 110 110 ILE HD11 H 1 0.808 0.030 . 1 . . . . 110 ILE HD1 . 11270 1 1342 . 1 1 110 110 ILE HD12 H 1 0.808 0.030 . 1 . . . . 110 ILE HD1 . 11270 1 1343 . 1 1 110 110 ILE HD13 H 1 0.808 0.030 . 1 . . . . 110 ILE HD1 . 11270 1 1344 . 1 1 110 110 ILE HG21 H 1 0.851 0.030 . 1 . . . . 110 ILE HG2 . 11270 1 1345 . 1 1 110 110 ILE HG22 H 1 0.851 0.030 . 1 . . . . 110 ILE HG2 . 11270 1 1346 . 1 1 110 110 ILE HG23 H 1 0.851 0.030 . 1 . . . . 110 ILE HG2 . 11270 1 1347 . 1 1 110 110 ILE CA C 13 61.073 0.300 . 1 . . . . 110 ILE CA . 11270 1 1348 . 1 1 110 110 ILE CB C 13 38.449 0.300 . 1 . . . . 110 ILE CB . 11270 1 1349 . 1 1 110 110 ILE CD1 C 13 13.053 0.300 . 1 . . . . 110 ILE CD1 . 11270 1 1350 . 1 1 110 110 ILE CG2 C 13 17.688 0.300 . 1 . . . . 110 ILE CG2 . 11270 1 1351 . 1 1 110 110 ILE N N 15 119.716 0.300 . 1 . . . . 110 ILE N . 11270 1 1352 . 1 1 111 111 THR H H 1 7.563 0.030 . 1 . . . . 111 THR H . 11270 1 1353 . 1 1 111 111 THR HA H 1 4.283 0.030 . 1 . . . . 111 THR HA . 11270 1 1354 . 1 1 111 111 THR HB H 1 4.109 0.030 . 1 . . . . 111 THR HB . 11270 1 1355 . 1 1 111 111 THR HG21 H 1 1.081 0.030 . 1 . . . . 111 THR HG2 . 11270 1 1356 . 1 1 111 111 THR HG22 H 1 1.081 0.030 . 1 . . . . 111 THR HG2 . 11270 1 1357 . 1 1 111 111 THR HG23 H 1 1.081 0.030 . 1 . . . . 111 THR HG2 . 11270 1 1358 . 1 1 111 111 THR CA C 13 61.706 0.300 . 1 . . . . 111 THR CA . 11270 1 1359 . 1 1 111 111 THR CB C 13 69.588 0.300 . 1 . . . . 111 THR CB . 11270 1 1360 . 1 1 111 111 THR CG2 C 13 21.661 0.300 . 1 . . . . 111 THR CG2 . 11270 1 1361 . 1 1 111 111 THR N N 15 118.070 0.300 . 1 . . . . 111 THR N . 11270 1 1362 . 1 1 112 112 VAL H H 1 7.550 0.030 . 1 . . . . 112 VAL H . 11270 1 1363 . 1 1 112 112 VAL HA H 1 4.253 0.030 . 1 . . . . 112 VAL HA . 11270 1 1364 . 1 1 112 112 VAL HB H 1 2.007 0.030 . 1 . . . . 112 VAL HB . 11270 1 1365 . 1 1 112 112 VAL HG11 H 1 0.790 0.030 . 1 . . . . 112 VAL HG1 . 11270 1 1366 . 1 1 112 112 VAL HG12 H 1 0.790 0.030 . 1 . . . . 112 VAL HG1 . 11270 1 1367 . 1 1 112 112 VAL HG13 H 1 0.790 0.030 . 1 . . . . 112 VAL HG1 . 11270 1 1368 . 1 1 112 112 VAL HG21 H 1 0.790 0.030 . 1 . . . . 112 VAL HG2 . 11270 1 1369 . 1 1 112 112 VAL HG22 H 1 0.790 0.030 . 1 . . . . 112 VAL HG2 . 11270 1 1370 . 1 1 112 112 VAL HG23 H 1 0.790 0.030 . 1 . . . . 112 VAL HG2 . 11270 1 1371 . 1 1 112 112 VAL C C 13 175.820 0.300 . 1 . . . . 112 VAL C . 11270 1 1372 . 1 1 112 112 VAL CA C 13 61.917 0.300 . 1 . . . . 112 VAL CA . 11270 1 1373 . 1 1 112 112 VAL CB C 13 32.670 0.300 . 1 . . . . 112 VAL CB . 11270 1 1374 . 1 1 112 112 VAL CG1 C 13 20.061 0.300 . 2 . . . . 112 VAL CG1 . 11270 1 1375 . 1 1 112 112 VAL CG2 C 13 20.061 0.300 . 2 . . . . 112 VAL CG2 . 11270 1 1376 . 1 1 112 112 VAL N N 15 126.037 0.300 . 1 . . . . 112 VAL N . 11270 1 1377 . 1 1 113 113 SER HA H 1 4.480 0.030 . 1 . . . . 113 SER HA . 11270 1 1378 . 1 1 113 113 SER HB2 H 1 3.847 0.030 . 1 . . . . 113 SER HB2 . 11270 1 1379 . 1 1 113 113 SER HB3 H 1 3.847 0.030 . 1 . . . . 113 SER HB3 . 11270 1 1380 . 1 1 113 113 SER C C 13 174.346 0.300 . 1 . . . . 113 SER C . 11270 1 1381 . 1 1 113 113 SER CA C 13 58.258 0.300 . 1 . . . . 113 SER CA . 11270 1 1382 . 1 1 113 113 SER CB C 13 64.162 0.300 . 1 . . . . 113 SER CB . 11270 1 1383 . 1 1 114 114 GLY C C 13 171.702 0.300 . 1 . . . . 114 GLY C . 11270 1 1384 . 1 1 114 114 GLY CA C 13 44.537 0.300 . 1 . . . . 114 GLY CA . 11270 1 stop_ save_