data_10242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10242 _Entry.Title ; Solution structures of the PDZ domain of human Interleukin-16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10242 2 S. Koshiba . . . 10242 3 M. Inoue . . . 10242 4 T. Kigawa . . . 10242 5 S. Yokoyama . . . 10242 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 10242 '15N chemical shifts' 111 10242 '1H chemical shifts' 747 10242 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-03 2008-10-24 original author . 10242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X6D 'BMRB Entry Tracking System' 10242 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10242 _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 structures of the PDZ domain of human Interleukin-16' _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 M. Sato . . . 10242 1 2 S. Koshiba . . . 10242 1 3 M. Inoue . . . 10242 1 4 T. Kigawa . . . 10242 1 5 S. Yokoyama . . . 10242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10242 _Assembly.ID 1 _Assembly.Name Interleukin-16 _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 'PDZ domain' 1 $entity_1 . . yes native no no . . . 10242 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 . PDB 1X6D . . . . . . 10242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGATLKQLDGIHVTI LHKEEGAGLGFSLAGGADLE NKVITVHRVFPNGLASQEGT IQKGNEVLSINGKSLKGTTH HDALAILRQAREPRQAVIVT RKLTPEAMPDLNSSGPSSG ; _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 119 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X6D . "Solution Structures Of The Pdz Domain Of Human Interleukin- 16" . . . . . 100.00 119 100.00 100.00 1.63e-77 . . . . 10242 1 2 no DBJ BAG54724 . "unnamed protein product [Homo sapiens]" . . . . . 89.92 658 100.00 100.00 4.30e-65 . . . . 10242 1 3 no GB AAH50362 . "IL16 protein, partial [Homo sapiens]" . . . . . 89.92 576 100.00 100.00 1.07e-65 . . . . 10242 1 4 no GB ACI00236 . "interleukin 16 [Homo sapiens]" . . . . . 89.92 560 100.00 100.00 9.33e-66 . . . . 10242 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 . 10242 1 2 . SER . 10242 1 3 . SER . 10242 1 4 . GLY . 10242 1 5 . SER . 10242 1 6 . SER . 10242 1 7 . GLY . 10242 1 8 . ALA . 10242 1 9 . THR . 10242 1 10 . LEU . 10242 1 11 . LYS . 10242 1 12 . GLN . 10242 1 13 . LEU . 10242 1 14 . ASP . 10242 1 15 . GLY . 10242 1 16 . ILE . 10242 1 17 . HIS . 10242 1 18 . VAL . 10242 1 19 . THR . 10242 1 20 . ILE . 10242 1 21 . LEU . 10242 1 22 . HIS . 10242 1 23 . LYS . 10242 1 24 . GLU . 10242 1 25 . GLU . 10242 1 26 . GLY . 10242 1 27 . ALA . 10242 1 28 . GLY . 10242 1 29 . LEU . 10242 1 30 . GLY . 10242 1 31 . PHE . 10242 1 32 . SER . 10242 1 33 . LEU . 10242 1 34 . ALA . 10242 1 35 . GLY . 10242 1 36 . GLY . 10242 1 37 . ALA . 10242 1 38 . ASP . 10242 1 39 . LEU . 10242 1 40 . GLU . 10242 1 41 . ASN . 10242 1 42 . LYS . 10242 1 43 . VAL . 10242 1 44 . ILE . 10242 1 45 . THR . 10242 1 46 . VAL . 10242 1 47 . HIS . 10242 1 48 . ARG . 10242 1 49 . VAL . 10242 1 50 . PHE . 10242 1 51 . PRO . 10242 1 52 . ASN . 10242 1 53 . GLY . 10242 1 54 . LEU . 10242 1 55 . ALA . 10242 1 56 . SER . 10242 1 57 . GLN . 10242 1 58 . GLU . 10242 1 59 . GLY . 10242 1 60 . THR . 10242 1 61 . ILE . 10242 1 62 . GLN . 10242 1 63 . LYS . 10242 1 64 . GLY . 10242 1 65 . ASN . 10242 1 66 . GLU . 10242 1 67 . VAL . 10242 1 68 . LEU . 10242 1 69 . SER . 10242 1 70 . ILE . 10242 1 71 . ASN . 10242 1 72 . GLY . 10242 1 73 . LYS . 10242 1 74 . SER . 10242 1 75 . LEU . 10242 1 76 . LYS . 10242 1 77 . GLY . 10242 1 78 . THR . 10242 1 79 . THR . 10242 1 80 . HIS . 10242 1 81 . HIS . 10242 1 82 . ASP . 10242 1 83 . ALA . 10242 1 84 . LEU . 10242 1 85 . ALA . 10242 1 86 . ILE . 10242 1 87 . LEU . 10242 1 88 . ARG . 10242 1 89 . GLN . 10242 1 90 . ALA . 10242 1 91 . ARG . 10242 1 92 . GLU . 10242 1 93 . PRO . 10242 1 94 . ARG . 10242 1 95 . GLN . 10242 1 96 . ALA . 10242 1 97 . VAL . 10242 1 98 . ILE . 10242 1 99 . VAL . 10242 1 100 . THR . 10242 1 101 . ARG . 10242 1 102 . LYS . 10242 1 103 . LEU . 10242 1 104 . THR . 10242 1 105 . PRO . 10242 1 106 . GLU . 10242 1 107 . ALA . 10242 1 108 . MET . 10242 1 109 . PRO . 10242 1 110 . ASP . 10242 1 111 . LEU . 10242 1 112 . ASN . 10242 1 113 . SER . 10242 1 114 . SER . 10242 1 115 . GLY . 10242 1 116 . PRO . 10242 1 117 . SER . 10242 1 118 . SER . 10242 1 119 . GLY . 10242 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 10242 1 . SER 2 2 10242 1 . SER 3 3 10242 1 . GLY 4 4 10242 1 . SER 5 5 10242 1 . SER 6 6 10242 1 . GLY 7 7 10242 1 . ALA 8 8 10242 1 . THR 9 9 10242 1 . LEU 10 10 10242 1 . LYS 11 11 10242 1 . GLN 12 12 10242 1 . LEU 13 13 10242 1 . ASP 14 14 10242 1 . GLY 15 15 10242 1 . ILE 16 16 10242 1 . HIS 17 17 10242 1 . VAL 18 18 10242 1 . THR 19 19 10242 1 . ILE 20 20 10242 1 . LEU 21 21 10242 1 . HIS 22 22 10242 1 . LYS 23 23 10242 1 . GLU 24 24 10242 1 . GLU 25 25 10242 1 . GLY 26 26 10242 1 . ALA 27 27 10242 1 . GLY 28 28 10242 1 . LEU 29 29 10242 1 . GLY 30 30 10242 1 . PHE 31 31 10242 1 . SER 32 32 10242 1 . LEU 33 33 10242 1 . ALA 34 34 10242 1 . GLY 35 35 10242 1 . GLY 36 36 10242 1 . ALA 37 37 10242 1 . ASP 38 38 10242 1 . LEU 39 39 10242 1 . GLU 40 40 10242 1 . ASN 41 41 10242 1 . LYS 42 42 10242 1 . VAL 43 43 10242 1 . ILE 44 44 10242 1 . THR 45 45 10242 1 . VAL 46 46 10242 1 . HIS 47 47 10242 1 . ARG 48 48 10242 1 . VAL 49 49 10242 1 . PHE 50 50 10242 1 . PRO 51 51 10242 1 . ASN 52 52 10242 1 . GLY 53 53 10242 1 . LEU 54 54 10242 1 . ALA 55 55 10242 1 . SER 56 56 10242 1 . GLN 57 57 10242 1 . GLU 58 58 10242 1 . GLY 59 59 10242 1 . THR 60 60 10242 1 . ILE 61 61 10242 1 . GLN 62 62 10242 1 . LYS 63 63 10242 1 . GLY 64 64 10242 1 . ASN 65 65 10242 1 . GLU 66 66 10242 1 . VAL 67 67 10242 1 . LEU 68 68 10242 1 . SER 69 69 10242 1 . ILE 70 70 10242 1 . ASN 71 71 10242 1 . GLY 72 72 10242 1 . LYS 73 73 10242 1 . SER 74 74 10242 1 . LEU 75 75 10242 1 . LYS 76 76 10242 1 . GLY 77 77 10242 1 . THR 78 78 10242 1 . THR 79 79 10242 1 . HIS 80 80 10242 1 . HIS 81 81 10242 1 . ASP 82 82 10242 1 . ALA 83 83 10242 1 . LEU 84 84 10242 1 . ALA 85 85 10242 1 . ILE 86 86 10242 1 . LEU 87 87 10242 1 . ARG 88 88 10242 1 . GLN 89 89 10242 1 . ALA 90 90 10242 1 . ARG 91 91 10242 1 . GLU 92 92 10242 1 . PRO 93 93 10242 1 . ARG 94 94 10242 1 . GLN 95 95 10242 1 . ALA 96 96 10242 1 . VAL 97 97 10242 1 . ILE 98 98 10242 1 . VAL 99 99 10242 1 . THR 100 100 10242 1 . ARG 101 101 10242 1 . LYS 102 102 10242 1 . LEU 103 103 10242 1 . THR 104 104 10242 1 . PRO 105 105 10242 1 . GLU 106 106 10242 1 . ALA 107 107 10242 1 . MET 108 108 10242 1 . PRO 109 109 10242 1 . ASP 110 110 10242 1 . LEU 111 111 10242 1 . ASN 112 112 10242 1 . SER 113 113 10242 1 . SER 114 114 10242 1 . GLY 115 115 10242 1 . PRO 116 116 10242 1 . SER 117 117 10242 1 . SER 118 118 10242 1 . GLY 119 119 10242 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 10242 _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 . . . . . . . . . . . . . . . . . . . . . 10242 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 10242 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040614-09 . . . . . . 10242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10242 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10242 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10242 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10242 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10242 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10242 1 6 H2O . . . . . . solvent 90 . . % . . . . 10242 1 7 D2O . . . . . . solvent 10 . . % . . . . 10242 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 10242 _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 10242 1 pH 7.0 0.05 pH 10242 1 pressure 1 0.001 atm 10242 1 temperature 298 0.1 K 10242 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10242 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10242 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10242 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10242 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10242 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10242 _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.' . . 10242 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10242 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10242 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10242 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10242 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10242 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10242 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10242 5 'structure solution' 10242 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 10242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10242 _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 . 700 . . . 10242 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 10242 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10242 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10242 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 10242 _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 . . . . . . . . . 10242 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10242 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10242 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 10242 _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 13C-separated NOESY' 1 $sample_1 isotropic 10242 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10242 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 3.960 0.030 . 1 . . . . 7 GLY HA2 . 10242 1 2 . 1 1 7 7 GLY HA3 H 1 3.960 0.030 . 1 . . . . 7 GLY HA3 . 10242 1 3 . 1 1 7 7 GLY C C 13 174.009 0.300 . 1 . . . . 7 GLY C . 10242 1 4 . 1 1 7 7 GLY CA C 13 45.374 0.300 . 1 . . . . 7 GLY CA . 10242 1 5 . 1 1 8 8 ALA H H 1 8.163 0.030 . 1 . . . . 8 ALA H . 10242 1 6 . 1 1 8 8 ALA HA H 1 4.381 0.030 . 1 . . . . 8 ALA HA . 10242 1 7 . 1 1 8 8 ALA HB1 H 1 1.373 0.030 . 1 . . . . 8 ALA HB . 10242 1 8 . 1 1 8 8 ALA HB2 H 1 1.373 0.030 . 1 . . . . 8 ALA HB . 10242 1 9 . 1 1 8 8 ALA HB3 H 1 1.373 0.030 . 1 . . . . 8 ALA HB . 10242 1 10 . 1 1 8 8 ALA C C 13 178.078 0.300 . 1 . . . . 8 ALA C . 10242 1 11 . 1 1 8 8 ALA CA C 13 52.677 0.300 . 1 . . . . 8 ALA CA . 10242 1 12 . 1 1 8 8 ALA CB C 13 19.368 0.300 . 1 . . . . 8 ALA CB . 10242 1 13 . 1 1 8 8 ALA N N 15 123.721 0.300 . 1 . . . . 8 ALA N . 10242 1 14 . 1 1 9 9 THR H H 1 8.142 0.030 . 1 . . . . 9 THR H . 10242 1 15 . 1 1 9 9 THR HA H 1 4.353 0.030 . 1 . . . . 9 THR HA . 10242 1 16 . 1 1 9 9 THR HB H 1 4.177 0.030 . 1 . . . . 9 THR HB . 10242 1 17 . 1 1 9 9 THR HG21 H 1 1.193 0.030 . 1 . . . . 9 THR HG2 . 10242 1 18 . 1 1 9 9 THR HG22 H 1 1.193 0.030 . 1 . . . . 9 THR HG2 . 10242 1 19 . 1 1 9 9 THR HG23 H 1 1.193 0.030 . 1 . . . . 9 THR HG2 . 10242 1 20 . 1 1 9 9 THR C C 13 174.597 0.300 . 1 . . . . 9 THR C . 10242 1 21 . 1 1 9 9 THR CA C 13 62.093 0.300 . 1 . . . . 9 THR CA . 10242 1 22 . 1 1 9 9 THR CB C 13 69.948 0.300 . 1 . . . . 9 THR CB . 10242 1 23 . 1 1 9 9 THR CG2 C 13 21.615 0.300 . 1 . . . . 9 THR CG2 . 10242 1 24 . 1 1 9 9 THR N N 15 113.761 0.300 . 1 . . . . 9 THR N . 10242 1 25 . 1 1 10 10 LEU H H 1 8.218 0.030 . 1 . . . . 10 LEU H . 10242 1 26 . 1 1 10 10 LEU HA H 1 4.169 0.030 . 1 . . . . 10 LEU HA . 10242 1 27 . 1 1 10 10 LEU HB2 H 1 1.835 0.030 . 1 . . . . 10 LEU HB2 . 10242 1 28 . 1 1 10 10 LEU HB3 H 1 1.835 0.030 . 1 . . . . 10 LEU HB3 . 10242 1 29 . 1 1 10 10 LEU HD11 H 1 0.856 0.030 . 1 . . . . 10 LEU HD1 . 10242 1 30 . 1 1 10 10 LEU HD12 H 1 0.856 0.030 . 1 . . . . 10 LEU HD1 . 10242 1 31 . 1 1 10 10 LEU HD13 H 1 0.856 0.030 . 1 . . . . 10 LEU HD1 . 10242 1 32 . 1 1 10 10 LEU HD21 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 10242 1 33 . 1 1 10 10 LEU HD22 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 10242 1 34 . 1 1 10 10 LEU HD23 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 10242 1 35 . 1 1 10 10 LEU HG H 1 1.378 0.030 . 1 . . . . 10 LEU HG . 10242 1 36 . 1 1 10 10 LEU C C 13 176.110 0.300 . 1 . . . . 10 LEU C . 10242 1 37 . 1 1 10 10 LEU CA C 13 61.099 0.300 . 1 . . . . 10 LEU CA . 10242 1 38 . 1 1 10 10 LEU CB C 13 38.686 0.300 . 1 . . . . 10 LEU CB . 10242 1 39 . 1 1 10 10 LEU CD1 C 13 27.537 0.300 . 2 . . . . 10 LEU CD1 . 10242 1 40 . 1 1 10 10 LEU CD2 C 13 27.537 0.300 . 2 . . . . 10 LEU CD2 . 10242 1 41 . 1 1 10 10 LEU CG C 13 27.382 0.300 . 1 . . . . 10 LEU CG . 10242 1 42 . 1 1 10 10 LEU N N 15 123.516 0.300 . 1 . . . . 10 LEU N . 10242 1 43 . 1 1 11 11 LYS H H 1 8.496 0.030 . 1 . . . . 11 LYS H . 10242 1 44 . 1 1 11 11 LYS HA H 1 4.891 0.030 . 1 . . . . 11 LYS HA . 10242 1 45 . 1 1 11 11 LYS HB2 H 1 2.073 0.030 . 2 . . . . 11 LYS HB2 . 10242 1 46 . 1 1 11 11 LYS HB3 H 1 1.968 0.030 . 2 . . . . 11 LYS HB3 . 10242 1 47 . 1 1 11 11 LYS HE2 H 1 3.111 0.030 . 1 . . . . 11 LYS HE2 . 10242 1 48 . 1 1 11 11 LYS HE3 H 1 3.111 0.030 . 1 . . . . 11 LYS HE3 . 10242 1 49 . 1 1 11 11 LYS C C 13 175.794 0.300 . 1 . . . . 11 LYS C . 10242 1 50 . 1 1 11 11 LYS CA C 13 55.652 0.300 . 1 . . . . 11 LYS CA . 10242 1 51 . 1 1 11 11 LYS CB C 13 29.444 0.300 . 1 . . . . 11 LYS CB . 10242 1 52 . 1 1 11 11 LYS N N 15 125.141 0.300 . 1 . . . . 11 LYS N . 10242 1 53 . 1 1 12 12 GLN HA H 1 4.315 0.030 . 1 . . . . 12 GLN HA . 10242 1 54 . 1 1 12 12 GLN C C 13 176.300 0.300 . 1 . . . . 12 GLN C . 10242 1 55 . 1 1 12 12 GLN CA C 13 56.286 0.300 . 1 . . . . 12 GLN CA . 10242 1 56 . 1 1 12 12 GLN CB C 13 32.901 0.300 . 1 . . . . 12 GLN CB . 10242 1 57 . 1 1 13 13 LEU H H 1 8.410 0.030 . 1 . . . . 13 LEU H . 10242 1 58 . 1 1 13 13 LEU HA H 1 4.348 0.030 . 1 . . . . 13 LEU HA . 10242 1 59 . 1 1 13 13 LEU HB2 H 1 1.648 0.030 . 2 . . . . 13 LEU HB2 . 10242 1 60 . 1 1 13 13 LEU HB3 H 1 1.582 0.030 . 2 . . . . 13 LEU HB3 . 10242 1 61 . 1 1 13 13 LEU HD11 H 1 0.867 0.030 . 1 . . . . 13 LEU HD1 . 10242 1 62 . 1 1 13 13 LEU HD12 H 1 0.867 0.030 . 1 . . . . 13 LEU HD1 . 10242 1 63 . 1 1 13 13 LEU HD13 H 1 0.867 0.030 . 1 . . . . 13 LEU HD1 . 10242 1 64 . 1 1 13 13 LEU HD21 H 1 0.862 0.030 . 1 . . . . 13 LEU HD2 . 10242 1 65 . 1 1 13 13 LEU HD22 H 1 0.862 0.030 . 1 . . . . 13 LEU HD2 . 10242 1 66 . 1 1 13 13 LEU HD23 H 1 0.862 0.030 . 1 . . . . 13 LEU HD2 . 10242 1 67 . 1 1 13 13 LEU C C 13 177.120 0.300 . 1 . . . . 13 LEU C . 10242 1 68 . 1 1 13 13 LEU CA C 13 55.142 0.300 . 1 . . . . 13 LEU CA . 10242 1 69 . 1 1 13 13 LEU CB C 13 42.352 0.300 . 1 . . . . 13 LEU CB . 10242 1 70 . 1 1 13 13 LEU CD1 C 13 25.157 0.300 . 2 . . . . 13 LEU CD1 . 10242 1 71 . 1 1 13 13 LEU CD2 C 13 23.263 0.300 . 2 . . . . 13 LEU CD2 . 10242 1 72 . 1 1 13 13 LEU CG C 13 26.887 0.300 . 1 . . . . 13 LEU CG . 10242 1 73 . 1 1 13 13 LEU N N 15 124.340 0.300 . 1 . . . . 13 LEU N . 10242 1 74 . 1 1 14 14 ASP H H 1 8.250 0.030 . 1 . . . . 14 ASP H . 10242 1 75 . 1 1 14 14 ASP HA H 1 4.540 0.030 . 1 . . . . 14 ASP HA . 10242 1 76 . 1 1 14 14 ASP HB2 H 1 2.680 0.030 . 1 . . . . 14 ASP HB2 . 10242 1 77 . 1 1 14 14 ASP HB3 H 1 2.680 0.030 . 1 . . . . 14 ASP HB3 . 10242 1 78 . 1 1 14 14 ASP C C 13 176.769 0.300 . 1 . . . . 14 ASP C . 10242 1 79 . 1 1 14 14 ASP CA C 13 54.772 0.300 . 1 . . . . 14 ASP CA . 10242 1 80 . 1 1 14 14 ASP CB C 13 41.322 0.300 . 1 . . . . 14 ASP CB . 10242 1 81 . 1 1 14 14 ASP N N 15 120.493 0.300 . 1 . . . . 14 ASP N . 10242 1 82 . 1 1 15 15 GLY H H 1 8.428 0.030 . 1 . . . . 15 GLY H . 10242 1 83 . 1 1 15 15 GLY HA2 H 1 4.089 0.030 . 2 . . . . 15 GLY HA2 . 10242 1 84 . 1 1 15 15 GLY HA3 H 1 3.874 0.030 . 2 . . . . 15 GLY HA3 . 10242 1 85 . 1 1 15 15 GLY C C 13 174.122 0.300 . 1 . . . . 15 GLY C . 10242 1 86 . 1 1 15 15 GLY CA C 13 45.972 0.300 . 1 . . . . 15 GLY CA . 10242 1 87 . 1 1 15 15 GLY N N 15 108.670 0.300 . 1 . . . . 15 GLY N . 10242 1 88 . 1 1 16 16 ILE H H 1 7.727 0.030 . 1 . . . . 16 ILE H . 10242 1 89 . 1 1 16 16 ILE HA H 1 4.705 0.030 . 1 . . . . 16 ILE HA . 10242 1 90 . 1 1 16 16 ILE HB H 1 1.772 0.030 . 1 . . . . 16 ILE HB . 10242 1 91 . 1 1 16 16 ILE HD11 H 1 0.737 0.030 . 1 . . . . 16 ILE HD1 . 10242 1 92 . 1 1 16 16 ILE HD12 H 1 0.737 0.030 . 1 . . . . 16 ILE HD1 . 10242 1 93 . 1 1 16 16 ILE HD13 H 1 0.737 0.030 . 1 . . . . 16 ILE HD1 . 10242 1 94 . 1 1 16 16 ILE HG12 H 1 1.442 0.030 . 2 . . . . 16 ILE HG12 . 10242 1 95 . 1 1 16 16 ILE HG13 H 1 0.955 0.030 . 2 . . . . 16 ILE HG13 . 10242 1 96 . 1 1 16 16 ILE HG21 H 1 0.737 0.030 . 1 . . . . 16 ILE HG2 . 10242 1 97 . 1 1 16 16 ILE HG22 H 1 0.737 0.030 . 1 . . . . 16 ILE HG2 . 10242 1 98 . 1 1 16 16 ILE HG23 H 1 0.737 0.030 . 1 . . . . 16 ILE HG2 . 10242 1 99 . 1 1 16 16 ILE C C 13 175.807 0.300 . 1 . . . . 16 ILE C . 10242 1 100 . 1 1 16 16 ILE CA C 13 60.703 0.300 . 1 . . . . 16 ILE CA . 10242 1 101 . 1 1 16 16 ILE CB C 13 38.509 0.300 . 1 . . . . 16 ILE CB . 10242 1 102 . 1 1 16 16 ILE CD1 C 13 12.871 0.300 . 1 . . . . 16 ILE CD1 . 10242 1 103 . 1 1 16 16 ILE CG1 C 13 27.824 0.300 . 1 . . . . 16 ILE CG1 . 10242 1 104 . 1 1 16 16 ILE CG2 C 13 17.916 0.300 . 1 . . . . 16 ILE CG2 . 10242 1 105 . 1 1 16 16 ILE N N 15 120.267 0.300 . 1 . . . . 16 ILE N . 10242 1 106 . 1 1 17 17 HIS H H 1 9.101 0.030 . 1 . . . . 17 HIS H . 10242 1 107 . 1 1 17 17 HIS HA H 1 4.782 0.030 . 1 . . . . 17 HIS HA . 10242 1 108 . 1 1 17 17 HIS HB2 H 1 2.907 0.030 . 1 . . . . 17 HIS HB2 . 10242 1 109 . 1 1 17 17 HIS HB3 H 1 2.907 0.030 . 1 . . . . 17 HIS HB3 . 10242 1 110 . 1 1 17 17 HIS HD2 H 1 6.992 0.030 . 1 . . . . 17 HIS HD2 . 10242 1 111 . 1 1 17 17 HIS HE1 H 1 8.183 0.030 . 1 . . . . 17 HIS HE1 . 10242 1 112 . 1 1 17 17 HIS C C 13 173.051 0.300 . 1 . . . . 17 HIS C . 10242 1 113 . 1 1 17 17 HIS CA C 13 55.353 0.300 . 1 . . . . 17 HIS CA . 10242 1 114 . 1 1 17 17 HIS CB C 13 32.468 0.300 . 1 . . . . 17 HIS CB . 10242 1 115 . 1 1 17 17 HIS CD2 C 13 120.676 0.300 . 1 . . . . 17 HIS CD2 . 10242 1 116 . 1 1 17 17 HIS CE1 C 13 137.593 0.300 . 1 . . . . 17 HIS CE1 . 10242 1 117 . 1 1 17 17 HIS N N 15 125.061 0.300 . 1 . . . . 17 HIS N . 10242 1 118 . 1 1 18 18 VAL H H 1 8.427 0.030 . 1 . . . . 18 VAL H . 10242 1 119 . 1 1 18 18 VAL HA H 1 4.375 0.030 . 1 . . . . 18 VAL HA . 10242 1 120 . 1 1 18 18 VAL HB H 1 1.891 0.030 . 1 . . . . 18 VAL HB . 10242 1 121 . 1 1 18 18 VAL HG11 H 1 0.709 0.030 . 1 . . . . 18 VAL HG1 . 10242 1 122 . 1 1 18 18 VAL HG12 H 1 0.709 0.030 . 1 . . . . 18 VAL HG1 . 10242 1 123 . 1 1 18 18 VAL HG13 H 1 0.709 0.030 . 1 . . . . 18 VAL HG1 . 10242 1 124 . 1 1 18 18 VAL HG21 H 1 0.850 0.030 . 1 . . . . 18 VAL HG2 . 10242 1 125 . 1 1 18 18 VAL HG22 H 1 0.850 0.030 . 1 . . . . 18 VAL HG2 . 10242 1 126 . 1 1 18 18 VAL HG23 H 1 0.850 0.030 . 1 . . . . 18 VAL HG2 . 10242 1 127 . 1 1 18 18 VAL C C 13 174.702 0.300 . 1 . . . . 18 VAL C . 10242 1 128 . 1 1 18 18 VAL CA C 13 62.035 0.300 . 1 . . . . 18 VAL CA . 10242 1 129 . 1 1 18 18 VAL CB C 13 32.325 0.300 . 1 . . . . 18 VAL CB . 10242 1 130 . 1 1 18 18 VAL CG1 C 13 20.956 0.300 . 2 . . . . 18 VAL CG1 . 10242 1 131 . 1 1 18 18 VAL CG2 C 13 20.744 0.300 . 2 . . . . 18 VAL CG2 . 10242 1 132 . 1 1 18 18 VAL N N 15 127.069 0.300 . 1 . . . . 18 VAL N . 10242 1 133 . 1 1 19 19 THR H H 1 9.272 0.030 . 1 . . . . 19 THR H . 10242 1 134 . 1 1 19 19 THR HA H 1 4.512 0.030 . 1 . . . . 19 THR HA . 10242 1 135 . 1 1 19 19 THR HB H 1 3.815 0.030 . 1 . . . . 19 THR HB . 10242 1 136 . 1 1 19 19 THR HG21 H 1 1.061 0.030 . 1 . . . . 19 THR HG2 . 10242 1 137 . 1 1 19 19 THR HG22 H 1 1.061 0.030 . 1 . . . . 19 THR HG2 . 10242 1 138 . 1 1 19 19 THR HG23 H 1 1.061 0.030 . 1 . . . . 19 THR HG2 . 10242 1 139 . 1 1 19 19 THR C C 13 172.784 0.300 . 1 . . . . 19 THR C . 10242 1 140 . 1 1 19 19 THR CA C 13 62.512 0.300 . 1 . . . . 19 THR CA . 10242 1 141 . 1 1 19 19 THR CB C 13 70.663 0.300 . 1 . . . . 19 THR CB . 10242 1 142 . 1 1 19 19 THR CG2 C 13 21.072 0.300 . 1 . . . . 19 THR CG2 . 10242 1 143 . 1 1 19 19 THR N N 15 126.619 0.300 . 1 . . . . 19 THR N . 10242 1 144 . 1 1 20 20 ILE H H 1 8.737 0.030 . 1 . . . . 20 ILE H . 10242 1 145 . 1 1 20 20 ILE HA H 1 4.870 0.030 . 1 . . . . 20 ILE HA . 10242 1 146 . 1 1 20 20 ILE HB H 1 1.736 0.030 . 1 . . . . 20 ILE HB . 10242 1 147 . 1 1 20 20 ILE HD11 H 1 0.809 0.030 . 1 . . . . 20 ILE HD1 . 10242 1 148 . 1 1 20 20 ILE HD12 H 1 0.809 0.030 . 1 . . . . 20 ILE HD1 . 10242 1 149 . 1 1 20 20 ILE HD13 H 1 0.809 0.030 . 1 . . . . 20 ILE HD1 . 10242 1 150 . 1 1 20 20 ILE HG12 H 1 1.480 0.030 . 2 . . . . 20 ILE HG12 . 10242 1 151 . 1 1 20 20 ILE HG13 H 1 0.953 0.030 . 2 . . . . 20 ILE HG13 . 10242 1 152 . 1 1 20 20 ILE HG21 H 1 0.534 0.030 . 1 . . . . 20 ILE HG2 . 10242 1 153 . 1 1 20 20 ILE HG22 H 1 0.534 0.030 . 1 . . . . 20 ILE HG2 . 10242 1 154 . 1 1 20 20 ILE HG23 H 1 0.534 0.030 . 1 . . . . 20 ILE HG2 . 10242 1 155 . 1 1 20 20 ILE C C 13 175.315 0.300 . 1 . . . . 20 ILE C . 10242 1 156 . 1 1 20 20 ILE CA C 13 60.157 0.300 . 1 . . . . 20 ILE CA . 10242 1 157 . 1 1 20 20 ILE CB C 13 38.603 0.300 . 1 . . . . 20 ILE CB . 10242 1 158 . 1 1 20 20 ILE CD1 C 13 13.408 0.300 . 1 . . . . 20 ILE CD1 . 10242 1 159 . 1 1 20 20 ILE CG1 C 13 28.108 0.300 . 1 . . . . 20 ILE CG1 . 10242 1 160 . 1 1 20 20 ILE CG2 C 13 17.251 0.300 . 1 . . . . 20 ILE CG2 . 10242 1 161 . 1 1 20 20 ILE N N 15 128.114 0.300 . 1 . . . . 20 ILE N . 10242 1 162 . 1 1 21 21 LEU H H 1 8.902 0.030 . 1 . . . . 21 LEU H . 10242 1 163 . 1 1 21 21 LEU HA H 1 4.804 0.030 . 1 . . . . 21 LEU HA . 10242 1 164 . 1 1 21 21 LEU HB2 H 1 1.557 0.030 . 2 . . . . 21 LEU HB2 . 10242 1 165 . 1 1 21 21 LEU HB3 H 1 1.274 0.030 . 2 . . . . 21 LEU HB3 . 10242 1 166 . 1 1 21 21 LEU HD11 H 1 0.797 0.030 . 1 . . . . 21 LEU HD1 . 10242 1 167 . 1 1 21 21 LEU HD12 H 1 0.797 0.030 . 1 . . . . 21 LEU HD1 . 10242 1 168 . 1 1 21 21 LEU HD13 H 1 0.797 0.030 . 1 . . . . 21 LEU HD1 . 10242 1 169 . 1 1 21 21 LEU HD21 H 1 0.858 0.030 . 1 . . . . 21 LEU HD2 . 10242 1 170 . 1 1 21 21 LEU HD22 H 1 0.858 0.030 . 1 . . . . 21 LEU HD2 . 10242 1 171 . 1 1 21 21 LEU HD23 H 1 0.858 0.030 . 1 . . . . 21 LEU HD2 . 10242 1 172 . 1 1 21 21 LEU HG H 1 1.478 0.030 . 1 . . . . 21 LEU HG . 10242 1 173 . 1 1 21 21 LEU C C 13 175.565 0.300 . 1 . . . . 21 LEU C . 10242 1 174 . 1 1 21 21 LEU CA C 13 52.731 0.300 . 1 . . . . 21 LEU CA . 10242 1 175 . 1 1 21 21 LEU CB C 13 43.947 0.300 . 1 . . . . 21 LEU CB . 10242 1 176 . 1 1 21 21 LEU CD1 C 13 23.295 0.300 . 2 . . . . 21 LEU CD1 . 10242 1 177 . 1 1 21 21 LEU CD2 C 13 26.135 0.300 . 2 . . . . 21 LEU CD2 . 10242 1 178 . 1 1 21 21 LEU CG C 13 26.542 0.300 . 1 . . . . 21 LEU CG . 10242 1 179 . 1 1 21 21 LEU N N 15 125.457 0.300 . 1 . . . . 21 LEU N . 10242 1 180 . 1 1 22 22 HIS H H 1 8.577 0.030 . 1 . . . . 22 HIS H . 10242 1 181 . 1 1 22 22 HIS HA H 1 5.013 0.030 . 1 . . . . 22 HIS HA . 10242 1 182 . 1 1 22 22 HIS HB2 H 1 3.183 0.030 . 2 . . . . 22 HIS HB2 . 10242 1 183 . 1 1 22 22 HIS HB3 H 1 3.044 0.030 . 2 . . . . 22 HIS HB3 . 10242 1 184 . 1 1 22 22 HIS HD2 H 1 7.141 0.030 . 1 . . . . 22 HIS HD2 . 10242 1 185 . 1 1 22 22 HIS HE1 H 1 8.006 0.030 . 1 . . . . 22 HIS HE1 . 10242 1 186 . 1 1 22 22 HIS C C 13 174.258 0.300 . 1 . . . . 22 HIS C . 10242 1 187 . 1 1 22 22 HIS CA C 13 55.880 0.300 . 1 . . . . 22 HIS CA . 10242 1 188 . 1 1 22 22 HIS CB C 13 30.901 0.300 . 1 . . . . 22 HIS CB . 10242 1 189 . 1 1 22 22 HIS CD2 C 13 119.950 0.300 . 1 . . . . 22 HIS CD2 . 10242 1 190 . 1 1 22 22 HIS CE1 C 13 137.573 0.300 . 1 . . . . 22 HIS CE1 . 10242 1 191 . 1 1 22 22 HIS N N 15 122.595 0.300 . 1 . . . . 22 HIS N . 10242 1 192 . 1 1 23 23 LYS H H 1 8.712 0.030 . 1 . . . . 23 LYS H . 10242 1 193 . 1 1 23 23 LYS HA H 1 4.880 0.030 . 1 . . . . 23 LYS HA . 10242 1 194 . 1 1 23 23 LYS HB2 H 1 1.898 0.030 . 2 . . . . 23 LYS HB2 . 10242 1 195 . 1 1 23 23 LYS HB3 H 1 1.625 0.030 . 2 . . . . 23 LYS HB3 . 10242 1 196 . 1 1 23 23 LYS HD2 H 1 1.224 0.030 . 1 . . . . 23 LYS HD2 . 10242 1 197 . 1 1 23 23 LYS HD3 H 1 1.224 0.030 . 1 . . . . 23 LYS HD3 . 10242 1 198 . 1 1 23 23 LYS HE2 H 1 2.902 0.030 . 2 . . . . 23 LYS HE2 . 10242 1 199 . 1 1 23 23 LYS HE3 H 1 2.663 0.030 . 2 . . . . 23 LYS HE3 . 10242 1 200 . 1 1 23 23 LYS HG2 H 1 1.367 0.030 . 2 . . . . 23 LYS HG2 . 10242 1 201 . 1 1 23 23 LYS HG3 H 1 0.978 0.030 . 2 . . . . 23 LYS HG3 . 10242 1 202 . 1 1 23 23 LYS C C 13 174.265 0.300 . 1 . . . . 23 LYS C . 10242 1 203 . 1 1 23 23 LYS CA C 13 54.314 0.300 . 1 . . . . 23 LYS CA . 10242 1 204 . 1 1 23 23 LYS CB C 13 36.068 0.300 . 1 . . . . 23 LYS CB . 10242 1 205 . 1 1 23 23 LYS CD C 13 29.117 0.300 . 1 . . . . 23 LYS CD . 10242 1 206 . 1 1 23 23 LYS CE C 13 42.795 0.300 . 1 . . . . 23 LYS CE . 10242 1 207 . 1 1 23 23 LYS CG C 13 21.351 0.300 . 1 . . . . 23 LYS CG . 10242 1 208 . 1 1 23 23 LYS N N 15 120.814 0.300 . 1 . . . . 23 LYS N . 10242 1 209 . 1 1 24 24 GLU H H 1 8.360 0.030 . 1 . . . . 24 GLU H . 10242 1 210 . 1 1 24 24 GLU HA H 1 4.350 0.030 . 1 . . . . 24 GLU HA . 10242 1 211 . 1 1 24 24 GLU HB2 H 1 2.110 0.030 . 2 . . . . 24 GLU HB2 . 10242 1 212 . 1 1 24 24 GLU HB3 H 1 1.868 0.030 . 2 . . . . 24 GLU HB3 . 10242 1 213 . 1 1 24 24 GLU HG2 H 1 2.420 0.030 . 2 . . . . 24 GLU HG2 . 10242 1 214 . 1 1 24 24 GLU HG3 H 1 2.367 0.030 . 2 . . . . 24 GLU HG3 . 10242 1 215 . 1 1 24 24 GLU C C 13 177.843 0.300 . 1 . . . . 24 GLU C . 10242 1 216 . 1 1 24 24 GLU CA C 13 55.601 0.300 . 1 . . . . 24 GLU CA . 10242 1 217 . 1 1 24 24 GLU CB C 13 30.512 0.300 . 1 . . . . 24 GLU CB . 10242 1 218 . 1 1 24 24 GLU CG C 13 36.443 0.300 . 1 . . . . 24 GLU CG . 10242 1 219 . 1 1 24 24 GLU N N 15 117.859 0.300 . 1 . . . . 24 GLU N . 10242 1 220 . 1 1 25 25 GLU H H 1 9.146 0.030 . 1 . . . . 25 GLU H . 10242 1 221 . 1 1 25 25 GLU HA H 1 3.924 0.030 . 1 . . . . 25 GLU HA . 10242 1 222 . 1 1 25 25 GLU HB2 H 1 2.022 0.030 . 1 . . . . 25 GLU HB2 . 10242 1 223 . 1 1 25 25 GLU HB3 H 1 2.022 0.030 . 1 . . . . 25 GLU HB3 . 10242 1 224 . 1 1 25 25 GLU HG2 H 1 2.473 0.030 . 2 . . . . 25 GLU HG2 . 10242 1 225 . 1 1 25 25 GLU HG3 H 1 2.352 0.030 . 2 . . . . 25 GLU HG3 . 10242 1 226 . 1 1 25 25 GLU C C 13 177.809 0.300 . 1 . . . . 25 GLU C . 10242 1 227 . 1 1 25 25 GLU CA C 13 58.568 0.300 . 1 . . . . 25 GLU CA . 10242 1 228 . 1 1 25 25 GLU CB C 13 29.313 0.300 . 1 . . . . 25 GLU CB . 10242 1 229 . 1 1 25 25 GLU CG C 13 36.855 0.300 . 1 . . . . 25 GLU CG . 10242 1 230 . 1 1 25 25 GLU N N 15 124.543 0.300 . 1 . . . . 25 GLU N . 10242 1 231 . 1 1 26 26 GLY H H 1 8.242 0.030 . 1 . . . . 26 GLY H . 10242 1 232 . 1 1 26 26 GLY HA2 H 1 4.287 0.030 . 2 . . . . 26 GLY HA2 . 10242 1 233 . 1 1 26 26 GLY HA3 H 1 3.407 0.030 . 2 . . . . 26 GLY HA3 . 10242 1 234 . 1 1 26 26 GLY C C 13 174.234 0.300 . 1 . . . . 26 GLY C . 10242 1 235 . 1 1 26 26 GLY CA C 13 46.113 0.300 . 1 . . . . 26 GLY CA . 10242 1 236 . 1 1 26 26 GLY N N 15 115.394 0.300 . 1 . . . . 26 GLY N . 10242 1 237 . 1 1 27 27 ALA H H 1 7.432 0.030 . 1 . . . . 27 ALA H . 10242 1 238 . 1 1 27 27 ALA HA H 1 4.402 0.030 . 1 . . . . 27 ALA HA . 10242 1 239 . 1 1 27 27 ALA HB1 H 1 1.494 0.030 . 1 . . . . 27 ALA HB . 10242 1 240 . 1 1 27 27 ALA HB2 H 1 1.494 0.030 . 1 . . . . 27 ALA HB . 10242 1 241 . 1 1 27 27 ALA HB3 H 1 1.494 0.030 . 1 . . . . 27 ALA HB . 10242 1 242 . 1 1 27 27 ALA C C 13 178.138 0.300 . 1 . . . . 27 ALA C . 10242 1 243 . 1 1 27 27 ALA CA C 13 52.273 0.300 . 1 . . . . 27 ALA CA . 10242 1 244 . 1 1 27 27 ALA CB C 13 20.214 0.300 . 1 . . . . 27 ALA CB . 10242 1 245 . 1 1 27 27 ALA N N 15 122.323 0.300 . 1 . . . . 27 ALA N . 10242 1 246 . 1 1 28 28 GLY H H 1 8.624 0.030 . 1 . . . . 28 GLY H . 10242 1 247 . 1 1 28 28 GLY HA2 H 1 4.134 0.030 . 2 . . . . 28 GLY HA2 . 10242 1 248 . 1 1 28 28 GLY HA3 H 1 3.953 0.030 . 2 . . . . 28 GLY HA3 . 10242 1 249 . 1 1 28 28 GLY C C 13 174.069 0.300 . 1 . . . . 28 GLY C . 10242 1 250 . 1 1 28 28 GLY CA C 13 44.546 0.300 . 1 . . . . 28 GLY CA . 10242 1 251 . 1 1 28 28 GLY N N 15 107.593 0.300 . 1 . . . . 28 GLY N . 10242 1 252 . 1 1 29 29 LEU H H 1 7.934 0.030 . 1 . . . . 29 LEU H . 10242 1 253 . 1 1 29 29 LEU HA H 1 4.059 0.030 . 1 . . . . 29 LEU HA . 10242 1 254 . 1 1 29 29 LEU HB2 H 1 1.502 0.030 . 2 . . . . 29 LEU HB2 . 10242 1 255 . 1 1 29 29 LEU HB3 H 1 1.307 0.030 . 2 . . . . 29 LEU HB3 . 10242 1 256 . 1 1 29 29 LEU HD11 H 1 0.755 0.030 . 1 . . . . 29 LEU HD1 . 10242 1 257 . 1 1 29 29 LEU HD12 H 1 0.755 0.030 . 1 . . . . 29 LEU HD1 . 10242 1 258 . 1 1 29 29 LEU HD13 H 1 0.755 0.030 . 1 . . . . 29 LEU HD1 . 10242 1 259 . 1 1 29 29 LEU HD21 H 1 0.651 0.030 . 1 . . . . 29 LEU HD2 . 10242 1 260 . 1 1 29 29 LEU HD22 H 1 0.651 0.030 . 1 . . . . 29 LEU HD2 . 10242 1 261 . 1 1 29 29 LEU HD23 H 1 0.651 0.030 . 1 . . . . 29 LEU HD2 . 10242 1 262 . 1 1 29 29 LEU HG H 1 1.644 0.030 . 1 . . . . 29 LEU HG . 10242 1 263 . 1 1 29 29 LEU C C 13 177.548 0.300 . 1 . . . . 29 LEU C . 10242 1 264 . 1 1 29 29 LEU CA C 13 56.298 0.300 . 1 . . . . 29 LEU CA . 10242 1 265 . 1 1 29 29 LEU CB C 13 41.940 0.300 . 1 . . . . 29 LEU CB . 10242 1 266 . 1 1 29 29 LEU CD1 C 13 25.487 0.300 . 2 . . . . 29 LEU CD1 . 10242 1 267 . 1 1 29 29 LEU CD2 C 13 23.510 0.300 . 2 . . . . 29 LEU CD2 . 10242 1 268 . 1 1 29 29 LEU CG C 13 27.632 0.300 . 1 . . . . 29 LEU CG . 10242 1 269 . 1 1 29 29 LEU N N 15 115.495 0.300 . 1 . . . . 29 LEU N . 10242 1 270 . 1 1 30 30 GLY H H 1 8.669 0.030 . 1 . . . . 30 GLY H . 10242 1 271 . 1 1 30 30 GLY HA2 H 1 4.264 0.030 . 2 . . . . 30 GLY HA2 . 10242 1 272 . 1 1 30 30 GLY HA3 H 1 4.001 0.030 . 2 . . . . 30 GLY HA3 . 10242 1 273 . 1 1 30 30 GLY C C 13 175.296 0.300 . 1 . . . . 30 GLY C . 10242 1 274 . 1 1 30 30 GLY CA C 13 46.368 0.300 . 1 . . . . 30 GLY CA . 10242 1 275 . 1 1 30 30 GLY N N 15 103.121 0.300 . 1 . . . . 30 GLY N . 10242 1 276 . 1 1 31 31 PHE H H 1 7.044 0.030 . 1 . . . . 31 PHE H . 10242 1 277 . 1 1 31 31 PHE HA H 1 4.541 0.030 . 1 . . . . 31 PHE HA . 10242 1 278 . 1 1 31 31 PHE HB2 H 1 3.243 0.030 . 2 . . . . 31 PHE HB2 . 10242 1 279 . 1 1 31 31 PHE HB3 H 1 2.786 0.030 . 2 . . . . 31 PHE HB3 . 10242 1 280 . 1 1 31 31 PHE HD1 H 1 6.845 0.030 . 1 . . . . 31 PHE HD1 . 10242 1 281 . 1 1 31 31 PHE HD2 H 1 6.845 0.030 . 1 . . . . 31 PHE HD2 . 10242 1 282 . 1 1 31 31 PHE HE1 H 1 6.916 0.030 . 1 . . . . 31 PHE HE1 . 10242 1 283 . 1 1 31 31 PHE HE2 H 1 6.916 0.030 . 1 . . . . 31 PHE HE2 . 10242 1 284 . 1 1 31 31 PHE HZ H 1 6.800 0.030 . 1 . . . . 31 PHE HZ . 10242 1 285 . 1 1 31 31 PHE C C 13 171.141 0.300 . 1 . . . . 31 PHE C . 10242 1 286 . 1 1 31 31 PHE CA C 13 55.704 0.300 . 1 . . . . 31 PHE CA . 10242 1 287 . 1 1 31 31 PHE CB C 13 40.745 0.300 . 1 . . . . 31 PHE CB . 10242 1 288 . 1 1 31 31 PHE CD1 C 13 132.521 0.300 . 1 . . . . 31 PHE CD1 . 10242 1 289 . 1 1 31 31 PHE CD2 C 13 132.521 0.300 . 1 . . . . 31 PHE CD2 . 10242 1 290 . 1 1 31 31 PHE CE1 C 13 130.423 0.300 . 1 . . . . 31 PHE CE1 . 10242 1 291 . 1 1 31 31 PHE CE2 C 13 130.423 0.300 . 1 . . . . 31 PHE CE2 . 10242 1 292 . 1 1 31 31 PHE CZ C 13 127.852 0.300 . 1 . . . . 31 PHE CZ . 10242 1 293 . 1 1 31 31 PHE N N 15 115.404 0.300 . 1 . . . . 31 PHE N . 10242 1 294 . 1 1 32 32 SER H H 1 8.752 0.030 . 1 . . . . 32 SER H . 10242 1 295 . 1 1 32 32 SER HA H 1 4.990 0.030 . 1 . . . . 32 SER HA . 10242 1 296 . 1 1 32 32 SER HB2 H 1 4.474 0.030 . 2 . . . . 32 SER HB2 . 10242 1 297 . 1 1 32 32 SER HB3 H 1 4.081 0.030 . 2 . . . . 32 SER HB3 . 10242 1 298 . 1 1 32 32 SER C C 13 175.049 0.300 . 1 . . . . 32 SER C . 10242 1 299 . 1 1 32 32 SER CA C 13 55.001 0.300 . 1 . . . . 32 SER CA . 10242 1 300 . 1 1 32 32 SER CB C 13 67.170 0.300 . 1 . . . . 32 SER CB . 10242 1 301 . 1 1 32 32 SER N N 15 113.639 0.300 . 1 . . . . 32 SER N . 10242 1 302 . 1 1 33 33 LEU H H 1 8.639 0.030 . 1 . . . . 33 LEU H . 10242 1 303 . 1 1 33 33 LEU HA H 1 5.573 0.030 . 1 . . . . 33 LEU HA . 10242 1 304 . 1 1 33 33 LEU HB2 H 1 1.669 0.030 . 2 . . . . 33 LEU HB2 . 10242 1 305 . 1 1 33 33 LEU HB3 H 1 1.406 0.030 . 2 . . . . 33 LEU HB3 . 10242 1 306 . 1 1 33 33 LEU HD11 H 1 0.699 0.030 . 1 . . . . 33 LEU HD1 . 10242 1 307 . 1 1 33 33 LEU HD12 H 1 0.699 0.030 . 1 . . . . 33 LEU HD1 . 10242 1 308 . 1 1 33 33 LEU HD13 H 1 0.699 0.030 . 1 . . . . 33 LEU HD1 . 10242 1 309 . 1 1 33 33 LEU HD21 H 1 0.898 0.030 . 1 . . . . 33 LEU HD2 . 10242 1 310 . 1 1 33 33 LEU HD22 H 1 0.898 0.030 . 1 . . . . 33 LEU HD2 . 10242 1 311 . 1 1 33 33 LEU HD23 H 1 0.898 0.030 . 1 . . . . 33 LEU HD2 . 10242 1 312 . 1 1 33 33 LEU HG H 1 1.682 0.030 . 1 . . . . 33 LEU HG . 10242 1 313 . 1 1 33 33 LEU C C 13 175.827 0.300 . 1 . . . . 33 LEU C . 10242 1 314 . 1 1 33 33 LEU CA C 13 53.620 0.300 . 1 . . . . 33 LEU CA . 10242 1 315 . 1 1 33 33 LEU CB C 13 45.399 0.300 . 1 . . . . 33 LEU CB . 10242 1 316 . 1 1 33 33 LEU CD1 C 13 26.340 0.300 . 2 . . . . 33 LEU CD1 . 10242 1 317 . 1 1 33 33 LEU CD2 C 13 24.131 0.300 . 2 . . . . 33 LEU CD2 . 10242 1 318 . 1 1 33 33 LEU CG C 13 26.299 0.300 . 1 . . . . 33 LEU CG . 10242 1 319 . 1 1 33 33 LEU N N 15 118.936 0.300 . 1 . . . . 33 LEU N . 10242 1 320 . 1 1 34 34 ALA H H 1 9.410 0.030 . 1 . . . . 34 ALA H . 10242 1 321 . 1 1 34 34 ALA HA H 1 4.749 0.030 . 1 . . . . 34 ALA HA . 10242 1 322 . 1 1 34 34 ALA HB1 H 1 1.282 0.030 . 1 . . . . 34 ALA HB . 10242 1 323 . 1 1 34 34 ALA HB2 H 1 1.282 0.030 . 1 . . . . 34 ALA HB . 10242 1 324 . 1 1 34 34 ALA HB3 H 1 1.282 0.030 . 1 . . . . 34 ALA HB . 10242 1 325 . 1 1 34 34 ALA C C 13 176.231 0.300 . 1 . . . . 34 ALA C . 10242 1 326 . 1 1 34 34 ALA CA C 13 50.425 0.300 . 1 . . . . 34 ALA CA . 10242 1 327 . 1 1 34 34 ALA CB C 13 22.518 0.300 . 1 . . . . 34 ALA CB . 10242 1 328 . 1 1 34 34 ALA N N 15 124.395 0.300 . 1 . . . . 34 ALA N . 10242 1 329 . 1 1 35 35 GLY H H 1 8.130 0.030 . 1 . . . . 35 GLY H . 10242 1 330 . 1 1 35 35 GLY HA2 H 1 4.712 0.030 . 2 . . . . 35 GLY HA2 . 10242 1 331 . 1 1 35 35 GLY HA3 H 1 3.955 0.030 . 2 . . . . 35 GLY HA3 . 10242 1 332 . 1 1 35 35 GLY C C 13 174.750 0.300 . 1 . . . . 35 GLY C . 10242 1 333 . 1 1 35 35 GLY CA C 13 44.494 0.300 . 1 . . . . 35 GLY CA . 10242 1 334 . 1 1 35 35 GLY N N 15 103.650 0.300 . 1 . . . . 35 GLY N . 10242 1 335 . 1 1 36 36 GLY H H 1 8.217 0.030 . 1 . . . . 36 GLY H . 10242 1 336 . 1 1 36 36 GLY HA2 H 1 4.494 0.030 . 2 . . . . 36 GLY HA2 . 10242 1 337 . 1 1 36 36 GLY HA3 H 1 3.836 0.030 . 2 . . . . 36 GLY HA3 . 10242 1 338 . 1 1 36 36 GLY C C 13 174.410 0.300 . 1 . . . . 36 GLY C . 10242 1 339 . 1 1 36 36 GLY CA C 13 45.462 0.300 . 1 . . . . 36 GLY CA . 10242 1 340 . 1 1 36 36 GLY N N 15 122.114 0.300 . 1 . . . . 36 GLY N . 10242 1 341 . 1 1 37 37 ALA H H 1 8.963 0.030 . 1 . . . . 37 ALA H . 10242 1 342 . 1 1 37 37 ALA HA H 1 3.998 0.030 . 1 . . . . 37 ALA HA . 10242 1 343 . 1 1 37 37 ALA HB1 H 1 1.215 0.030 . 1 . . . . 37 ALA HB . 10242 1 344 . 1 1 37 37 ALA HB2 H 1 1.215 0.030 . 1 . . . . 37 ALA HB . 10242 1 345 . 1 1 37 37 ALA HB3 H 1 1.215 0.030 . 1 . . . . 37 ALA HB . 10242 1 346 . 1 1 37 37 ALA C C 13 176.935 0.300 . 1 . . . . 37 ALA C . 10242 1 347 . 1 1 37 37 ALA CA C 13 55.308 0.300 . 1 . . . . 37 ALA CA . 10242 1 348 . 1 1 37 37 ALA CB C 13 18.822 0.300 . 1 . . . . 37 ALA CB . 10242 1 349 . 1 1 37 37 ALA N N 15 123.418 0.300 . 1 . . . . 37 ALA N . 10242 1 350 . 1 1 38 38 ASP H H 1 10.586 0.030 . 1 . . . . 38 ASP H . 10242 1 351 . 1 1 38 38 ASP HA H 1 4.485 0.030 . 1 . . . . 38 ASP HA . 10242 1 352 . 1 1 38 38 ASP HB2 H 1 2.895 0.030 . 2 . . . . 38 ASP HB2 . 10242 1 353 . 1 1 38 38 ASP HB3 H 1 2.692 0.030 . 2 . . . . 38 ASP HB3 . 10242 1 354 . 1 1 38 38 ASP C C 13 175.309 0.300 . 1 . . . . 38 ASP C . 10242 1 355 . 1 1 38 38 ASP CA C 13 52.730 0.300 . 1 . . . . 38 ASP CA . 10242 1 356 . 1 1 38 38 ASP CB C 13 38.689 0.300 . 1 . . . . 38 ASP CB . 10242 1 357 . 1 1 38 38 ASP N N 15 111.480 0.300 . 1 . . . . 38 ASP N . 10242 1 358 . 1 1 39 39 LEU H H 1 7.789 0.030 . 1 . . . . 39 LEU H . 10242 1 359 . 1 1 39 39 LEU HA H 1 4.699 0.030 . 1 . . . . 39 LEU HA . 10242 1 360 . 1 1 39 39 LEU HB2 H 1 1.848 0.030 . 2 . . . . 39 LEU HB2 . 10242 1 361 . 1 1 39 39 LEU HB3 H 1 1.617 0.030 . 2 . . . . 39 LEU HB3 . 10242 1 362 . 1 1 39 39 LEU HD11 H 1 0.702 0.030 . 1 . . . . 39 LEU HD1 . 10242 1 363 . 1 1 39 39 LEU HD12 H 1 0.702 0.030 . 1 . . . . 39 LEU HD1 . 10242 1 364 . 1 1 39 39 LEU HD13 H 1 0.702 0.030 . 1 . . . . 39 LEU HD1 . 10242 1 365 . 1 1 39 39 LEU HD21 H 1 0.509 0.030 . 1 . . . . 39 LEU HD2 . 10242 1 366 . 1 1 39 39 LEU HD22 H 1 0.509 0.030 . 1 . . . . 39 LEU HD2 . 10242 1 367 . 1 1 39 39 LEU HD23 H 1 0.509 0.030 . 1 . . . . 39 LEU HD2 . 10242 1 368 . 1 1 39 39 LEU HG H 1 1.400 0.030 . 1 . . . . 39 LEU HG . 10242 1 369 . 1 1 39 39 LEU C C 13 176.377 0.300 . 1 . . . . 39 LEU C . 10242 1 370 . 1 1 39 39 LEU CA C 13 52.952 0.300 . 1 . . . . 39 LEU CA . 10242 1 371 . 1 1 39 39 LEU CB C 13 43.294 0.300 . 1 . . . . 39 LEU CB . 10242 1 372 . 1 1 39 39 LEU CD1 C 13 22.411 0.300 . 2 . . . . 39 LEU CD1 . 10242 1 373 . 1 1 39 39 LEU CD2 C 13 25.902 0.300 . 2 . . . . 39 LEU CD2 . 10242 1 374 . 1 1 39 39 LEU CG C 13 26.832 0.300 . 1 . . . . 39 LEU CG . 10242 1 375 . 1 1 39 39 LEU N N 15 122.545 0.300 . 1 . . . . 39 LEU N . 10242 1 376 . 1 1 40 40 GLU H H 1 8.331 0.030 . 1 . . . . 40 GLU H . 10242 1 377 . 1 1 40 40 GLU HA H 1 3.978 0.030 . 1 . . . . 40 GLU HA . 10242 1 378 . 1 1 40 40 GLU HB2 H 1 1.993 0.030 . 1 . . . . 40 GLU HB2 . 10242 1 379 . 1 1 40 40 GLU HB3 H 1 1.993 0.030 . 1 . . . . 40 GLU HB3 . 10242 1 380 . 1 1 40 40 GLU HG2 H 1 2.276 0.030 . 1 . . . . 40 GLU HG2 . 10242 1 381 . 1 1 40 40 GLU HG3 H 1 2.276 0.030 . 1 . . . . 40 GLU HG3 . 10242 1 382 . 1 1 40 40 GLU C C 13 176.887 0.300 . 1 . . . . 40 GLU C . 10242 1 383 . 1 1 40 40 GLU CA C 13 59.066 0.300 . 1 . . . . 40 GLU CA . 10242 1 384 . 1 1 40 40 GLU CB C 13 29.523 0.300 . 1 . . . . 40 GLU CB . 10242 1 385 . 1 1 40 40 GLU CG C 13 36.443 0.300 . 1 . . . . 40 GLU CG . 10242 1 386 . 1 1 40 40 GLU N N 15 118.036 0.300 . 1 . . . . 40 GLU N . 10242 1 387 . 1 1 41 41 ASN H H 1 7.890 0.030 . 1 . . . . 41 ASN H . 10242 1 388 . 1 1 41 41 ASN HA H 1 4.820 0.030 . 1 . . . . 41 ASN HA . 10242 1 389 . 1 1 41 41 ASN HB2 H 1 2.822 0.030 . 2 . . . . 41 ASN HB2 . 10242 1 390 . 1 1 41 41 ASN HB3 H 1 2.724 0.030 . 2 . . . . 41 ASN HB3 . 10242 1 391 . 1 1 41 41 ASN HD21 H 1 7.685 0.030 . 2 . . . . 41 ASN HD21 . 10242 1 392 . 1 1 41 41 ASN HD22 H 1 6.774 0.030 . 2 . . . . 41 ASN HD22 . 10242 1 393 . 1 1 41 41 ASN CA C 13 52.316 0.300 . 1 . . . . 41 ASN CA . 10242 1 394 . 1 1 41 41 ASN CB C 13 37.409 0.300 . 1 . . . . 41 ASN CB . 10242 1 395 . 1 1 41 41 ASN N N 15 115.196 0.300 . 1 . . . . 41 ASN N . 10242 1 396 . 1 1 41 41 ASN ND2 N 15 112.492 0.300 . 1 . . . . 41 ASN ND2 . 10242 1 397 . 1 1 42 42 LYS H H 1 7.943 0.030 . 1 . . . . 42 LYS H . 10242 1 398 . 1 1 42 42 LYS HA H 1 4.328 0.030 . 1 . . . . 42 LYS HA . 10242 1 399 . 1 1 42 42 LYS HB2 H 1 1.881 0.030 . 2 . . . . 42 LYS HB2 . 10242 1 400 . 1 1 42 42 LYS HB3 H 1 1.720 0.030 . 2 . . . . 42 LYS HB3 . 10242 1 401 . 1 1 42 42 LYS HD2 H 1 1.866 0.030 . 2 . . . . 42 LYS HD2 . 10242 1 402 . 1 1 42 42 LYS HD3 H 1 1.668 0.030 . 2 . . . . 42 LYS HD3 . 10242 1 403 . 1 1 42 42 LYS HE2 H 1 3.149 0.030 . 2 . . . . 42 LYS HE2 . 10242 1 404 . 1 1 42 42 LYS HE3 H 1 3.055 0.030 . 2 . . . . 42 LYS HE3 . 10242 1 405 . 1 1 42 42 LYS HG2 H 1 1.442 0.030 . 2 . . . . 42 LYS HG2 . 10242 1 406 . 1 1 42 42 LYS HG3 H 1 1.396 0.030 . 2 . . . . 42 LYS HG3 . 10242 1 407 . 1 1 42 42 LYS C C 13 177.081 0.300 . 1 . . . . 42 LYS C . 10242 1 408 . 1 1 42 42 LYS CA C 13 56.567 0.300 . 1 . . . . 42 LYS CA . 10242 1 409 . 1 1 42 42 LYS CB C 13 33.120 0.300 . 1 . . . . 42 LYS CB . 10242 1 410 . 1 1 42 42 LYS CD C 13 28.985 0.300 . 1 . . . . 42 LYS CD . 10242 1 411 . 1 1 42 42 LYS CE C 13 42.930 0.300 . 1 . . . . 42 LYS CE . 10242 1 412 . 1 1 42 42 LYS CG C 13 24.818 0.300 . 1 . . . . 42 LYS CG . 10242 1 413 . 1 1 42 42 LYS N N 15 120.612 0.300 . 1 . . . . 42 LYS N . 10242 1 414 . 1 1 43 43 VAL H H 1 7.456 0.030 . 1 . . . . 43 VAL H . 10242 1 415 . 1 1 43 43 VAL HA H 1 4.059 0.030 . 1 . . . . 43 VAL HA . 10242 1 416 . 1 1 43 43 VAL HB H 1 1.945 0.030 . 1 . . . . 43 VAL HB . 10242 1 417 . 1 1 43 43 VAL HG11 H 1 0.900 0.030 . 1 . . . . 43 VAL HG1 . 10242 1 418 . 1 1 43 43 VAL HG12 H 1 0.900 0.030 . 1 . . . . 43 VAL HG1 . 10242 1 419 . 1 1 43 43 VAL HG13 H 1 0.900 0.030 . 1 . . . . 43 VAL HG1 . 10242 1 420 . 1 1 43 43 VAL HG21 H 1 0.860 0.030 . 1 . . . . 43 VAL HG2 . 10242 1 421 . 1 1 43 43 VAL HG22 H 1 0.860 0.030 . 1 . . . . 43 VAL HG2 . 10242 1 422 . 1 1 43 43 VAL HG23 H 1 0.860 0.030 . 1 . . . . 43 VAL HG2 . 10242 1 423 . 1 1 43 43 VAL CA C 13 61.330 0.300 . 1 . . . . 43 VAL CA . 10242 1 424 . 1 1 43 43 VAL CB C 13 32.819 0.300 . 1 . . . . 43 VAL CB . 10242 1 425 . 1 1 43 43 VAL CG1 C 13 21.156 0.300 . 2 . . . . 43 VAL CG1 . 10242 1 426 . 1 1 43 43 VAL CG2 C 13 20.932 0.300 . 2 . . . . 43 VAL CG2 . 10242 1 427 . 1 1 43 43 VAL N N 15 118.284 0.300 . 1 . . . . 43 VAL N . 10242 1 428 . 1 1 44 44 ILE H H 1 8.481 0.030 . 1 . . . . 44 ILE H . 10242 1 429 . 1 1 44 44 ILE HA H 1 4.913 0.030 . 1 . . . . 44 ILE HA . 10242 1 430 . 1 1 44 44 ILE HB H 1 2.072 0.030 . 1 . . . . 44 ILE HB . 10242 1 431 . 1 1 44 44 ILE HD11 H 1 0.759 0.030 . 1 . . . . 44 ILE HD1 . 10242 1 432 . 1 1 44 44 ILE HD12 H 1 0.759 0.030 . 1 . . . . 44 ILE HD1 . 10242 1 433 . 1 1 44 44 ILE HD13 H 1 0.759 0.030 . 1 . . . . 44 ILE HD1 . 10242 1 434 . 1 1 44 44 ILE HG12 H 1 1.465 0.030 . 1 . . . . 44 ILE HG12 . 10242 1 435 . 1 1 44 44 ILE HG13 H 1 1.465 0.030 . 1 . . . . 44 ILE HG13 . 10242 1 436 . 1 1 44 44 ILE HG21 H 1 0.929 0.030 . 1 . . . . 44 ILE HG2 . 10242 1 437 . 1 1 44 44 ILE HG22 H 1 0.929 0.030 . 1 . . . . 44 ILE HG2 . 10242 1 438 . 1 1 44 44 ILE HG23 H 1 0.929 0.030 . 1 . . . . 44 ILE HG2 . 10242 1 439 . 1 1 44 44 ILE C C 13 176.719 0.300 . 1 . . . . 44 ILE C . 10242 1 440 . 1 1 44 44 ILE CA C 13 59.946 0.300 . 1 . . . . 44 ILE CA . 10242 1 441 . 1 1 44 44 ILE CB C 13 35.784 0.300 . 1 . . . . 44 ILE CB . 10242 1 442 . 1 1 44 44 ILE CD1 C 13 11.895 0.300 . 1 . . . . 44 ILE CD1 . 10242 1 443 . 1 1 44 44 ILE CG1 C 13 27.712 0.300 . 1 . . . . 44 ILE CG1 . 10242 1 444 . 1 1 44 44 ILE CG2 C 13 19.968 0.300 . 1 . . . . 44 ILE CG2 . 10242 1 445 . 1 1 44 44 ILE N N 15 127.089 0.300 . 1 . . . . 44 ILE N . 10242 1 446 . 1 1 45 45 THR H H 1 8.906 0.030 . 1 . . . . 45 THR H . 10242 1 447 . 1 1 45 45 THR HA H 1 5.400 0.030 . 1 . . . . 45 THR HA . 10242 1 448 . 1 1 45 45 THR HB H 1 3.693 0.030 . 1 . . . . 45 THR HB . 10242 1 449 . 1 1 45 45 THR HG21 H 1 0.954 0.030 . 1 . . . . 45 THR HG2 . 10242 1 450 . 1 1 45 45 THR HG22 H 1 0.954 0.030 . 1 . . . . 45 THR HG2 . 10242 1 451 . 1 1 45 45 THR HG23 H 1 0.954 0.030 . 1 . . . . 45 THR HG2 . 10242 1 452 . 1 1 45 45 THR CA C 13 58.528 0.300 . 1 . . . . 45 THR CA . 10242 1 453 . 1 1 45 45 THR CB C 13 73.760 0.300 . 1 . . . . 45 THR CB . 10242 1 454 . 1 1 45 45 THR CG2 C 13 21.945 0.300 . 1 . . . . 45 THR CG2 . 10242 1 455 . 1 1 45 45 THR N N 15 116.832 0.300 . 1 . . . . 45 THR N . 10242 1 456 . 1 1 46 46 VAL H H 1 8.336 0.030 . 1 . . . . 46 VAL H . 10242 1 457 . 1 1 46 46 VAL HA H 1 4.059 0.030 . 1 . . . . 46 VAL HA . 10242 1 458 . 1 1 46 46 VAL HB H 1 2.139 0.030 . 1 . . . . 46 VAL HB . 10242 1 459 . 1 1 46 46 VAL HG11 H 1 0.507 0.030 . 1 . . . . 46 VAL HG1 . 10242 1 460 . 1 1 46 46 VAL HG12 H 1 0.507 0.030 . 1 . . . . 46 VAL HG1 . 10242 1 461 . 1 1 46 46 VAL HG13 H 1 0.507 0.030 . 1 . . . . 46 VAL HG1 . 10242 1 462 . 1 1 46 46 VAL HG21 H 1 0.463 0.030 . 1 . . . . 46 VAL HG2 . 10242 1 463 . 1 1 46 46 VAL HG22 H 1 0.463 0.030 . 1 . . . . 46 VAL HG2 . 10242 1 464 . 1 1 46 46 VAL HG23 H 1 0.463 0.030 . 1 . . . . 46 VAL HG2 . 10242 1 465 . 1 1 46 46 VAL C C 13 176.648 0.300 . 1 . . . . 46 VAL C . 10242 1 466 . 1 1 46 46 VAL CA C 13 63.058 0.300 . 1 . . . . 46 VAL CA . 10242 1 467 . 1 1 46 46 VAL CB C 13 31.601 0.300 . 1 . . . . 46 VAL CB . 10242 1 468 . 1 1 46 46 VAL CG1 C 13 21.923 0.300 . 2 . . . . 46 VAL CG1 . 10242 1 469 . 1 1 46 46 VAL CG2 C 13 21.195 0.300 . 2 . . . . 46 VAL CG2 . 10242 1 470 . 1 1 46 46 VAL N N 15 118.542 0.300 . 1 . . . . 46 VAL N . 10242 1 471 . 1 1 47 47 HIS H H 1 9.382 0.030 . 1 . . . . 47 HIS H . 10242 1 472 . 1 1 47 47 HIS HA H 1 4.628 0.030 . 1 . . . . 47 HIS HA . 10242 1 473 . 1 1 47 47 HIS HB2 H 1 3.245 0.030 . 2 . . . . 47 HIS HB2 . 10242 1 474 . 1 1 47 47 HIS HB3 H 1 2.809 0.030 . 2 . . . . 47 HIS HB3 . 10242 1 475 . 1 1 47 47 HIS HD2 H 1 7.049 0.030 . 1 . . . . 47 HIS HD2 . 10242 1 476 . 1 1 47 47 HIS HE1 H 1 7.729 0.030 . 1 . . . . 47 HIS HE1 . 10242 1 477 . 1 1 47 47 HIS C C 13 174.339 0.300 . 1 . . . . 47 HIS C . 10242 1 478 . 1 1 47 47 HIS CA C 13 57.764 0.300 . 1 . . . . 47 HIS CA . 10242 1 479 . 1 1 47 47 HIS CB C 13 31.453 0.300 . 1 . . . . 47 HIS CB . 10242 1 480 . 1 1 47 47 HIS CD2 C 13 118.892 0.300 . 1 . . . . 47 HIS CD2 . 10242 1 481 . 1 1 47 47 HIS CE1 C 13 138.905 0.300 . 1 . . . . 47 HIS CE1 . 10242 1 482 . 1 1 47 47 HIS N N 15 133.900 0.300 . 1 . . . . 47 HIS N . 10242 1 483 . 1 1 48 48 ARG H H 1 7.135 0.030 . 1 . . . . 48 ARG H . 10242 1 484 . 1 1 48 48 ARG HA H 1 4.360 0.030 . 1 . . . . 48 ARG HA . 10242 1 485 . 1 1 48 48 ARG HB2 H 1 1.615 0.030 . 2 . . . . 48 ARG HB2 . 10242 1 486 . 1 1 48 48 ARG HB3 H 1 1.546 0.030 . 2 . . . . 48 ARG HB3 . 10242 1 487 . 1 1 48 48 ARG HD2 H 1 3.099 0.030 . 1 . . . . 48 ARG HD2 . 10242 1 488 . 1 1 48 48 ARG HD3 H 1 3.099 0.030 . 1 . . . . 48 ARG HD3 . 10242 1 489 . 1 1 48 48 ARG HG2 H 1 1.276 0.030 . 2 . . . . 48 ARG HG2 . 10242 1 490 . 1 1 48 48 ARG HG3 H 1 1.160 0.030 . 2 . . . . 48 ARG HG3 . 10242 1 491 . 1 1 48 48 ARG C C 13 173.877 0.300 . 1 . . . . 48 ARG C . 10242 1 492 . 1 1 48 48 ARG CA C 13 54.385 0.300 . 1 . . . . 48 ARG CA . 10242 1 493 . 1 1 48 48 ARG CB C 13 33.996 0.300 . 1 . . . . 48 ARG CB . 10242 1 494 . 1 1 48 48 ARG CD C 13 43.363 0.300 . 1 . . . . 48 ARG CD . 10242 1 495 . 1 1 48 48 ARG CG C 13 27.382 0.300 . 1 . . . . 48 ARG CG . 10242 1 496 . 1 1 48 48 ARG N N 15 114.736 0.300 . 1 . . . . 48 ARG N . 10242 1 497 . 1 1 49 49 VAL H H 1 8.690 0.030 . 1 . . . . 49 VAL H . 10242 1 498 . 1 1 49 49 VAL HA H 1 4.015 0.030 . 1 . . . . 49 VAL HA . 10242 1 499 . 1 1 49 49 VAL HB H 1 1.917 0.030 . 1 . . . . 49 VAL HB . 10242 1 500 . 1 1 49 49 VAL HG11 H 1 0.821 0.030 . 1 . . . . 49 VAL HG1 . 10242 1 501 . 1 1 49 49 VAL HG12 H 1 0.821 0.030 . 1 . . . . 49 VAL HG1 . 10242 1 502 . 1 1 49 49 VAL HG13 H 1 0.821 0.030 . 1 . . . . 49 VAL HG1 . 10242 1 503 . 1 1 49 49 VAL HG21 H 1 0.622 0.030 . 1 . . . . 49 VAL HG2 . 10242 1 504 . 1 1 49 49 VAL HG22 H 1 0.622 0.030 . 1 . . . . 49 VAL HG2 . 10242 1 505 . 1 1 49 49 VAL HG23 H 1 0.622 0.030 . 1 . . . . 49 VAL HG2 . 10242 1 506 . 1 1 49 49 VAL C C 13 176.255 0.300 . 1 . . . . 49 VAL C . 10242 1 507 . 1 1 49 49 VAL CA C 13 61.882 0.300 . 1 . . . . 49 VAL CA . 10242 1 508 . 1 1 49 49 VAL CB C 13 32.261 0.300 . 1 . . . . 49 VAL CB . 10242 1 509 . 1 1 49 49 VAL CG1 C 13 21.698 0.300 . 2 . . . . 49 VAL CG1 . 10242 1 510 . 1 1 49 49 VAL CG2 C 13 21.608 0.300 . 2 . . . . 49 VAL CG2 . 10242 1 511 . 1 1 49 49 VAL N N 15 122.844 0.300 . 1 . . . . 49 VAL N . 10242 1 512 . 1 1 50 50 PHE H H 1 7.866 0.030 . 1 . . . . 50 PHE H . 10242 1 513 . 1 1 50 50 PHE HA H 1 4.866 0.030 . 1 . . . . 50 PHE HA . 10242 1 514 . 1 1 50 50 PHE HB2 H 1 3.416 0.030 . 2 . . . . 50 PHE HB2 . 10242 1 515 . 1 1 50 50 PHE HB3 H 1 2.786 0.030 . 2 . . . . 50 PHE HB3 . 10242 1 516 . 1 1 50 50 PHE HD1 H 1 7.101 0.030 . 1 . . . . 50 PHE HD1 . 10242 1 517 . 1 1 50 50 PHE HD2 H 1 7.101 0.030 . 1 . . . . 50 PHE HD2 . 10242 1 518 . 1 1 50 50 PHE HE1 H 1 7.297 0.030 . 1 . . . . 50 PHE HE1 . 10242 1 519 . 1 1 50 50 PHE HE2 H 1 7.297 0.030 . 1 . . . . 50 PHE HE2 . 10242 1 520 . 1 1 50 50 PHE HZ H 1 7.186 0.030 . 1 . . . . 50 PHE HZ . 10242 1 521 . 1 1 50 50 PHE C C 13 174.847 0.300 . 1 . . . . 50 PHE C . 10242 1 522 . 1 1 50 50 PHE CA C 13 54.596 0.300 . 1 . . . . 50 PHE CA . 10242 1 523 . 1 1 50 50 PHE CB C 13 36.558 0.300 . 1 . . . . 50 PHE CB . 10242 1 524 . 1 1 50 50 PHE CD1 C 13 130.364 0.300 . 1 . . . . 50 PHE CD1 . 10242 1 525 . 1 1 50 50 PHE CD2 C 13 130.364 0.300 . 1 . . . . 50 PHE CD2 . 10242 1 526 . 1 1 50 50 PHE CE1 C 13 131.478 0.300 . 1 . . . . 50 PHE CE1 . 10242 1 527 . 1 1 50 50 PHE CE2 C 13 131.478 0.300 . 1 . . . . 50 PHE CE2 . 10242 1 528 . 1 1 50 50 PHE CZ C 13 129.760 0.300 . 1 . . . . 50 PHE CZ . 10242 1 529 . 1 1 50 50 PHE N N 15 128.498 0.300 . 1 . . . . 50 PHE N . 10242 1 530 . 1 1 51 51 PRO HA H 1 4.386 0.030 . 1 . . . . 51 PRO HA . 10242 1 531 . 1 1 51 51 PRO HB2 H 1 2.363 0.030 . 2 . . . . 51 PRO HB2 . 10242 1 532 . 1 1 51 51 PRO HB3 H 1 1.934 0.030 . 2 . . . . 51 PRO HB3 . 10242 1 533 . 1 1 51 51 PRO HD2 H 1 4.135 0.030 . 2 . . . . 51 PRO HD2 . 10242 1 534 . 1 1 51 51 PRO HD3 H 1 3.807 0.030 . 2 . . . . 51 PRO HD3 . 10242 1 535 . 1 1 51 51 PRO HG2 H 1 2.178 0.030 . 2 . . . . 51 PRO HG2 . 10242 1 536 . 1 1 51 51 PRO HG3 H 1 2.109 0.030 . 2 . . . . 51 PRO HG3 . 10242 1 537 . 1 1 51 51 PRO C C 13 177.321 0.300 . 1 . . . . 51 PRO C . 10242 1 538 . 1 1 51 51 PRO CA C 13 64.381 0.300 . 1 . . . . 51 PRO CA . 10242 1 539 . 1 1 51 51 PRO CB C 13 31.773 0.300 . 1 . . . . 51 PRO CB . 10242 1 540 . 1 1 51 51 PRO CD C 13 51.052 0.300 . 1 . . . . 51 PRO CD . 10242 1 541 . 1 1 51 51 PRO CG C 13 27.794 0.300 . 1 . . . . 51 PRO CG . 10242 1 542 . 1 1 52 52 ASN H H 1 8.814 0.030 . 1 . . . . 52 ASN H . 10242 1 543 . 1 1 52 52 ASN HA H 1 4.496 0.030 . 1 . . . . 52 ASN HA . 10242 1 544 . 1 1 52 52 ASN HB2 H 1 3.015 0.030 . 1 . . . . 52 ASN HB2 . 10242 1 545 . 1 1 52 52 ASN HB3 H 1 3.015 0.030 . 1 . . . . 52 ASN HB3 . 10242 1 546 . 1 1 52 52 ASN HD21 H 1 7.609 0.030 . 2 . . . . 52 ASN HD21 . 10242 1 547 . 1 1 52 52 ASN HD22 H 1 6.971 0.030 . 2 . . . . 52 ASN HD22 . 10242 1 548 . 1 1 52 52 ASN C C 13 174.823 0.300 . 1 . . . . 52 ASN C . 10242 1 549 . 1 1 52 52 ASN CA C 13 54.719 0.300 . 1 . . . . 52 ASN CA . 10242 1 550 . 1 1 52 52 ASN CB C 13 38.109 0.300 . 1 . . . . 52 ASN CB . 10242 1 551 . 1 1 52 52 ASN N N 15 116.145 0.300 . 1 . . . . 52 ASN N . 10242 1 552 . 1 1 52 52 ASN ND2 N 15 113.642 0.300 . 1 . . . . 52 ASN ND2 . 10242 1 553 . 1 1 53 53 GLY H H 1 7.730 0.030 . 1 . . . . 53 GLY H . 10242 1 554 . 1 1 53 53 GLY HA2 H 1 4.430 0.030 . 2 . . . . 53 GLY HA2 . 10242 1 555 . 1 1 53 53 GLY HA3 H 1 4.089 0.030 . 2 . . . . 53 GLY HA3 . 10242 1 556 . 1 1 53 53 GLY C C 13 174.810 0.300 . 1 . . . . 53 GLY C . 10242 1 557 . 1 1 53 53 GLY CA C 13 44.987 0.300 . 1 . . . . 53 GLY CA . 10242 1 558 . 1 1 53 53 GLY N N 15 106.196 0.300 . 1 . . . . 53 GLY N . 10242 1 559 . 1 1 54 54 LEU H H 1 8.764 0.030 . 1 . . . . 54 LEU H . 10242 1 560 . 1 1 54 54 LEU HA H 1 4.041 0.030 . 1 . . . . 54 LEU HA . 10242 1 561 . 1 1 54 54 LEU HB2 H 1 1.758 0.030 . 2 . . . . 54 LEU HB2 . 10242 1 562 . 1 1 54 54 LEU HB3 H 1 1.527 0.030 . 2 . . . . 54 LEU HB3 . 10242 1 563 . 1 1 54 54 LEU HD11 H 1 0.981 0.030 . 1 . . . . 54 LEU HD1 . 10242 1 564 . 1 1 54 54 LEU HD12 H 1 0.981 0.030 . 1 . . . . 54 LEU HD1 . 10242 1 565 . 1 1 54 54 LEU HD13 H 1 0.981 0.030 . 1 . . . . 54 LEU HD1 . 10242 1 566 . 1 1 54 54 LEU HD21 H 1 1.054 0.030 . 1 . . . . 54 LEU HD2 . 10242 1 567 . 1 1 54 54 LEU HD22 H 1 1.054 0.030 . 1 . . . . 54 LEU HD2 . 10242 1 568 . 1 1 54 54 LEU HD23 H 1 1.054 0.030 . 1 . . . . 54 LEU HD2 . 10242 1 569 . 1 1 54 54 LEU HG H 1 1.773 0.030 . 1 . . . . 54 LEU HG . 10242 1 570 . 1 1 54 54 LEU C C 13 179.712 0.300 . 1 . . . . 54 LEU C . 10242 1 571 . 1 1 54 54 LEU CA C 13 58.310 0.300 . 1 . . . . 54 LEU CA . 10242 1 572 . 1 1 54 54 LEU CB C 13 42.390 0.300 . 1 . . . . 54 LEU CB . 10242 1 573 . 1 1 54 54 LEU CD1 C 13 25.064 0.300 . 2 . . . . 54 LEU CD1 . 10242 1 574 . 1 1 54 54 LEU CD2 C 13 25.837 0.300 . 2 . . . . 54 LEU CD2 . 10242 1 575 . 1 1 54 54 LEU CG C 13 26.966 0.300 . 1 . . . . 54 LEU CG . 10242 1 576 . 1 1 54 54 LEU N N 15 118.836 0.300 . 1 . . . . 54 LEU N . 10242 1 577 . 1 1 55 55 ALA H H 1 7.593 0.030 . 1 . . . . 55 ALA H . 10242 1 578 . 1 1 55 55 ALA HA H 1 4.275 0.030 . 1 . . . . 55 ALA HA . 10242 1 579 . 1 1 55 55 ALA HB1 H 1 1.474 0.030 . 1 . . . . 55 ALA HB . 10242 1 580 . 1 1 55 55 ALA HB2 H 1 1.474 0.030 . 1 . . . . 55 ALA HB . 10242 1 581 . 1 1 55 55 ALA HB3 H 1 1.474 0.030 . 1 . . . . 55 ALA HB . 10242 1 582 . 1 1 55 55 ALA C C 13 181.307 0.300 . 1 . . . . 55 ALA C . 10242 1 583 . 1 1 55 55 ALA CA C 13 54.825 0.300 . 1 . . . . 55 ALA CA . 10242 1 584 . 1 1 55 55 ALA CB C 13 18.345 0.300 . 1 . . . . 55 ALA CB . 10242 1 585 . 1 1 55 55 ALA N N 15 118.782 0.300 . 1 . . . . 55 ALA N . 10242 1 586 . 1 1 56 56 SER H H 1 9.339 0.030 . 1 . . . . 56 SER H . 10242 1 587 . 1 1 56 56 SER HA H 1 4.023 0.030 . 1 . . . . 56 SER HA . 10242 1 588 . 1 1 56 56 SER HB2 H 1 4.024 0.030 . 2 . . . . 56 SER HB2 . 10242 1 589 . 1 1 56 56 SER C C 13 176.392 0.300 . 1 . . . . 56 SER C . 10242 1 590 . 1 1 56 56 SER CA C 13 60.984 0.300 . 1 . . . . 56 SER CA . 10242 1 591 . 1 1 56 56 SER CB C 13 62.987 0.300 . 1 . . . . 56 SER CB . 10242 1 592 . 1 1 56 56 SER N N 15 117.631 0.300 . 1 . . . . 56 SER N . 10242 1 593 . 1 1 57 57 GLN H H 1 7.942 0.030 . 1 . . . . 57 GLN H . 10242 1 594 . 1 1 57 57 GLN HA H 1 4.034 0.030 . 1 . . . . 57 GLN HA . 10242 1 595 . 1 1 57 57 GLN HB2 H 1 2.164 0.030 . 1 . . . . 57 GLN HB2 . 10242 1 596 . 1 1 57 57 GLN HB3 H 1 2.164 0.030 . 1 . . . . 57 GLN HB3 . 10242 1 597 . 1 1 57 57 GLN HE21 H 1 7.269 0.030 . 2 . . . . 57 GLN HE21 . 10242 1 598 . 1 1 57 57 GLN HE22 H 1 6.813 0.030 . 2 . . . . 57 GLN HE22 . 10242 1 599 . 1 1 57 57 GLN HG2 H 1 2.506 0.030 . 2 . . . . 57 GLN HG2 . 10242 1 600 . 1 1 57 57 GLN HG3 H 1 2.398 0.030 . 2 . . . . 57 GLN HG3 . 10242 1 601 . 1 1 57 57 GLN C C 13 177.400 0.300 . 1 . . . . 57 GLN C . 10242 1 602 . 1 1 57 57 GLN CA C 13 58.362 0.300 . 1 . . . . 57 GLN CA . 10242 1 603 . 1 1 57 57 GLN CB C 13 28.801 0.300 . 1 . . . . 57 GLN CB . 10242 1 604 . 1 1 57 57 GLN CG C 13 34.075 0.300 . 1 . . . . 57 GLN CG . 10242 1 605 . 1 1 57 57 GLN N N 15 118.162 0.300 . 1 . . . . 57 GLN N . 10242 1 606 . 1 1 57 57 GLN NE2 N 15 111.334 0.300 . 1 . . . . 57 GLN NE2 . 10242 1 607 . 1 1 58 58 GLU H H 1 7.683 0.030 . 1 . . . . 58 GLU H . 10242 1 608 . 1 1 58 58 GLU HA H 1 4.163 0.030 . 1 . . . . 58 GLU HA . 10242 1 609 . 1 1 58 58 GLU HB2 H 1 2.137 0.030 . 2 . . . . 58 GLU HB2 . 10242 1 610 . 1 1 58 58 GLU HB3 H 1 1.959 0.030 . 2 . . . . 58 GLU HB3 . 10242 1 611 . 1 1 58 58 GLU HG2 H 1 2.478 0.030 . 1 . . . . 58 GLU HG2 . 10242 1 612 . 1 1 58 58 GLU HG3 H 1 2.478 0.030 . 1 . . . . 58 GLU HG3 . 10242 1 613 . 1 1 58 58 GLU C C 13 179.248 0.300 . 1 . . . . 58 GLU C . 10242 1 614 . 1 1 58 58 GLU CA C 13 59.559 0.300 . 1 . . . . 58 GLU CA . 10242 1 615 . 1 1 58 58 GLU CB C 13 29.317 0.300 . 1 . . . . 58 GLU CB . 10242 1 616 . 1 1 58 58 GLU CG C 13 36.278 0.300 . 1 . . . . 58 GLU CG . 10242 1 617 . 1 1 58 58 GLU N N 15 119.877 0.300 . 1 . . . . 58 GLU N . 10242 1 618 . 1 1 59 59 GLY H H 1 7.446 0.030 . 1 . . . . 59 GLY H . 10242 1 619 . 1 1 59 59 GLY HA2 H 1 4.100 0.030 . 2 . . . . 59 GLY HA2 . 10242 1 620 . 1 1 59 59 GLY HA3 H 1 3.770 0.030 . 2 . . . . 59 GLY HA3 . 10242 1 621 . 1 1 59 59 GLY C C 13 175.432 0.300 . 1 . . . . 59 GLY C . 10242 1 622 . 1 1 59 59 GLY CA C 13 46.817 0.300 . 1 . . . . 59 GLY CA . 10242 1 623 . 1 1 59 59 GLY N N 15 102.653 0.300 . 1 . . . . 59 GLY N . 10242 1 624 . 1 1 60 60 THR H H 1 8.343 0.030 . 1 . . . . 60 THR H . 10242 1 625 . 1 1 60 60 THR HA H 1 4.037 0.030 . 1 . . . . 60 THR HA . 10242 1 626 . 1 1 60 60 THR HB H 1 3.913 0.030 . 1 . . . . 60 THR HB . 10242 1 627 . 1 1 60 60 THR HG21 H 1 1.020 0.030 . 1 . . . . 60 THR HG2 . 10242 1 628 . 1 1 60 60 THR HG22 H 1 1.020 0.030 . 1 . . . . 60 THR HG2 . 10242 1 629 . 1 1 60 60 THR HG23 H 1 1.020 0.030 . 1 . . . . 60 THR HG2 . 10242 1 630 . 1 1 60 60 THR C C 13 175.843 0.300 . 1 . . . . 60 THR C . 10242 1 631 . 1 1 60 60 THR CA C 13 64.792 0.300 . 1 . . . . 60 THR CA . 10242 1 632 . 1 1 60 60 THR CB C 13 69.325 0.300 . 1 . . . . 60 THR CB . 10242 1 633 . 1 1 60 60 THR CG2 C 13 21.615 0.300 . 1 . . . . 60 THR CG2 . 10242 1 634 . 1 1 60 60 THR N N 15 113.863 0.300 . 1 . . . . 60 THR N . 10242 1 635 . 1 1 61 61 ILE H H 1 8.802 0.030 . 1 . . . . 61 ILE H . 10242 1 636 . 1 1 61 61 ILE HA H 1 3.631 0.030 . 1 . . . . 61 ILE HA . 10242 1 637 . 1 1 61 61 ILE HB H 1 1.438 0.030 . 1 . . . . 61 ILE HB . 10242 1 638 . 1 1 61 61 ILE HD11 H 1 0.594 0.030 . 1 . . . . 61 ILE HD1 . 10242 1 639 . 1 1 61 61 ILE HD12 H 1 0.594 0.030 . 1 . . . . 61 ILE HD1 . 10242 1 640 . 1 1 61 61 ILE HD13 H 1 0.594 0.030 . 1 . . . . 61 ILE HD1 . 10242 1 641 . 1 1 61 61 ILE HG12 H 1 1.618 0.030 . 2 . . . . 61 ILE HG12 . 10242 1 642 . 1 1 61 61 ILE HG13 H 1 0.599 0.030 . 2 . . . . 61 ILE HG13 . 10242 1 643 . 1 1 61 61 ILE HG21 H 1 -0.030 0.030 . 1 . . . . 61 ILE HG2 . 10242 1 644 . 1 1 61 61 ILE HG22 H 1 -0.030 0.030 . 1 . . . . 61 ILE HG2 . 10242 1 645 . 1 1 61 61 ILE HG23 H 1 -0.030 0.030 . 1 . . . . 61 ILE HG2 . 10242 1 646 . 1 1 61 61 ILE C C 13 174.198 0.300 . 1 . . . . 61 ILE C . 10242 1 647 . 1 1 61 61 ILE CA C 13 62.938 0.300 . 1 . . . . 61 ILE CA . 10242 1 648 . 1 1 61 61 ILE CB C 13 37.225 0.300 . 1 . . . . 61 ILE CB . 10242 1 649 . 1 1 61 61 ILE CD1 C 13 13.838 0.300 . 1 . . . . 61 ILE CD1 . 10242 1 650 . 1 1 61 61 ILE CG1 C 13 28.298 0.300 . 1 . . . . 61 ILE CG1 . 10242 1 651 . 1 1 61 61 ILE CG2 C 13 17.084 0.300 . 1 . . . . 61 ILE CG2 . 10242 1 652 . 1 1 61 61 ILE N N 15 126.153 0.300 . 1 . . . . 61 ILE N . 10242 1 653 . 1 1 62 62 GLN H H 1 7.124 0.030 . 1 . . . . 62 GLN H . 10242 1 654 . 1 1 62 62 GLN HA H 1 4.500 0.030 . 1 . . . . 62 GLN HA . 10242 1 655 . 1 1 62 62 GLN HB2 H 1 1.970 0.030 . 2 . . . . 62 GLN HB2 . 10242 1 656 . 1 1 62 62 GLN HB3 H 1 1.630 0.030 . 2 . . . . 62 GLN HB3 . 10242 1 657 . 1 1 62 62 GLN HE21 H 1 7.162 0.030 . 2 . . . . 62 GLN HE21 . 10242 1 658 . 1 1 62 62 GLN HE22 H 1 6.710 0.030 . 2 . . . . 62 GLN HE22 . 10242 1 659 . 1 1 62 62 GLN HG2 H 1 2.146 0.030 . 1 . . . . 62 GLN HG2 . 10242 1 660 . 1 1 62 62 GLN HG3 H 1 2.146 0.030 . 1 . . . . 62 GLN HG3 . 10242 1 661 . 1 1 62 62 GLN C C 13 174.556 0.300 . 1 . . . . 62 GLN C . 10242 1 662 . 1 1 62 62 GLN CA C 13 53.364 0.300 . 1 . . . . 62 GLN CA . 10242 1 663 . 1 1 62 62 GLN CB C 13 32.196 0.300 . 1 . . . . 62 GLN CB . 10242 1 664 . 1 1 62 62 GLN CG C 13 33.438 0.300 . 1 . . . . 62 GLN CG . 10242 1 665 . 1 1 62 62 GLN N N 15 123.730 0.300 . 1 . . . . 62 GLN N . 10242 1 666 . 1 1 62 62 GLN NE2 N 15 112.363 0.300 . 1 . . . . 62 GLN NE2 . 10242 1 667 . 1 1 63 63 LYS H H 1 8.399 0.030 . 1 . . . . 63 LYS H . 10242 1 668 . 1 1 63 63 LYS HA H 1 3.464 0.030 . 1 . . . . 63 LYS HA . 10242 1 669 . 1 1 63 63 LYS HB2 H 1 1.714 0.030 . 2 . . . . 63 LYS HB2 . 10242 1 670 . 1 1 63 63 LYS HB3 H 1 1.603 0.030 . 2 . . . . 63 LYS HB3 . 10242 1 671 . 1 1 63 63 LYS HD2 H 1 1.713 0.030 . 2 . . . . 63 LYS HD2 . 10242 1 672 . 1 1 63 63 LYS HD3 H 1 1.650 0.030 . 2 . . . . 63 LYS HD3 . 10242 1 673 . 1 1 63 63 LYS HE2 H 1 2.994 0.030 . 1 . . . . 63 LYS HE2 . 10242 1 674 . 1 1 63 63 LYS HE3 H 1 2.994 0.030 . 1 . . . . 63 LYS HE3 . 10242 1 675 . 1 1 63 63 LYS HG2 H 1 1.444 0.030 . 2 . . . . 63 LYS HG2 . 10242 1 676 . 1 1 63 63 LYS HG3 H 1 1.233 0.030 . 2 . . . . 63 LYS HG3 . 10242 1 677 . 1 1 63 63 LYS CA C 13 57.905 0.300 . 1 . . . . 63 LYS CA . 10242 1 678 . 1 1 63 63 LYS CB C 13 32.260 0.300 . 1 . . . . 63 LYS CB . 10242 1 679 . 1 1 63 63 LYS CD C 13 29.616 0.300 . 1 . . . . 63 LYS CD . 10242 1 680 . 1 1 63 63 LYS CE C 13 42.093 0.300 . 1 . . . . 63 LYS CE . 10242 1 681 . 1 1 63 63 LYS CG C 13 24.040 0.300 . 1 . . . . 63 LYS CG . 10242 1 682 . 1 1 63 63 LYS N N 15 121.381 0.300 . 1 . . . . 63 LYS N . 10242 1 683 . 1 1 64 64 GLY H H 1 9.265 0.030 . 1 . . . . 64 GLY H . 10242 1 684 . 1 1 64 64 GLY HA2 H 1 4.415 0.030 . 2 . . . . 64 GLY HA2 . 10242 1 685 . 1 1 64 64 GLY HA3 H 1 3.639 0.030 . 2 . . . . 64 GLY HA3 . 10242 1 686 . 1 1 64 64 GLY CA C 13 44.881 0.300 . 1 . . . . 64 GLY CA . 10242 1 687 . 1 1 64 64 GLY N N 15 113.750 0.300 . 1 . . . . 64 GLY N . 10242 1 688 . 1 1 65 65 ASN H H 1 7.594 0.030 . 1 . . . . 65 ASN H . 10242 1 689 . 1 1 65 65 ASN HA H 1 4.798 0.030 . 1 . . . . 65 ASN HA . 10242 1 690 . 1 1 65 65 ASN HB2 H 1 2.662 0.030 . 2 . . . . 65 ASN HB2 . 10242 1 691 . 1 1 65 65 ASN HB3 H 1 2.568 0.030 . 2 . . . . 65 ASN HB3 . 10242 1 692 . 1 1 65 65 ASN HD21 H 1 7.739 0.030 . 2 . . . . 65 ASN HD21 . 10242 1 693 . 1 1 65 65 ASN HD22 H 1 7.256 0.030 . 2 . . . . 65 ASN HD22 . 10242 1 694 . 1 1 65 65 ASN C C 13 175.042 0.300 . 1 . . . . 65 ASN C . 10242 1 695 . 1 1 65 65 ASN CA C 13 53.047 0.300 . 1 . . . . 65 ASN CA . 10242 1 696 . 1 1 65 65 ASN CB C 13 38.153 0.300 . 1 . . . . 65 ASN CB . 10242 1 697 . 1 1 65 65 ASN N N 15 117.999 0.300 . 1 . . . . 65 ASN N . 10242 1 698 . 1 1 65 65 ASN ND2 N 15 110.866 0.300 . 1 . . . . 65 ASN ND2 . 10242 1 699 . 1 1 66 66 GLU H H 1 8.538 0.030 . 1 . . . . 66 GLU H . 10242 1 700 . 1 1 66 66 GLU HA H 1 4.634 0.030 . 1 . . . . 66 GLU HA . 10242 1 701 . 1 1 66 66 GLU HB2 H 1 1.908 0.030 . 1 . . . . 66 GLU HB2 . 10242 1 702 . 1 1 66 66 GLU HB3 H 1 1.908 0.030 . 1 . . . . 66 GLU HB3 . 10242 1 703 . 1 1 66 66 GLU HG2 H 1 2.458 0.030 . 2 . . . . 66 GLU HG2 . 10242 1 704 . 1 1 66 66 GLU HG3 H 1 1.844 0.030 . 2 . . . . 66 GLU HG3 . 10242 1 705 . 1 1 66 66 GLU C C 13 176.620 0.300 . 1 . . . . 66 GLU C . 10242 1 706 . 1 1 66 66 GLU CA C 13 55.863 0.300 . 1 . . . . 66 GLU CA . 10242 1 707 . 1 1 66 66 GLU CB C 13 30.899 0.300 . 1 . . . . 66 GLU CB . 10242 1 708 . 1 1 66 66 GLU CG C 13 35.949 0.300 . 1 . . . . 66 GLU CG . 10242 1 709 . 1 1 66 66 GLU N N 15 122.233 0.300 . 1 . . . . 66 GLU N . 10242 1 710 . 1 1 67 67 VAL H H 1 8.452 0.030 . 1 . . . . 67 VAL H . 10242 1 711 . 1 1 67 67 VAL HA H 1 4.172 0.030 . 1 . . . . 67 VAL HA . 10242 1 712 . 1 1 67 67 VAL HB H 1 1.873 0.030 . 1 . . . . 67 VAL HB . 10242 1 713 . 1 1 67 67 VAL HG11 H 1 0.733 0.030 . 1 . . . . 67 VAL HG1 . 10242 1 714 . 1 1 67 67 VAL HG12 H 1 0.733 0.030 . 1 . . . . 67 VAL HG1 . 10242 1 715 . 1 1 67 67 VAL HG13 H 1 0.733 0.030 . 1 . . . . 67 VAL HG1 . 10242 1 716 . 1 1 67 67 VAL HG21 H 1 0.667 0.030 . 1 . . . . 67 VAL HG2 . 10242 1 717 . 1 1 67 67 VAL HG22 H 1 0.667 0.030 . 1 . . . . 67 VAL HG2 . 10242 1 718 . 1 1 67 67 VAL HG23 H 1 0.667 0.030 . 1 . . . . 67 VAL HG2 . 10242 1 719 . 1 1 67 67 VAL C C 13 174.641 0.300 . 1 . . . . 67 VAL C . 10242 1 720 . 1 1 67 67 VAL CA C 13 61.856 0.300 . 1 . . . . 67 VAL CA . 10242 1 721 . 1 1 67 67 VAL CB C 13 31.066 0.300 . 1 . . . . 67 VAL CB . 10242 1 722 . 1 1 67 67 VAL CG1 C 13 22.478 0.300 . 2 . . . . 67 VAL CG1 . 10242 1 723 . 1 1 67 67 VAL CG2 C 13 22.230 0.300 . 2 . . . . 67 VAL CG2 . 10242 1 724 . 1 1 67 67 VAL N N 15 126.311 0.300 . 1 . . . . 67 VAL N . 10242 1 725 . 1 1 68 68 LEU H H 1 9.000 0.030 . 1 . . . . 68 LEU H . 10242 1 726 . 1 1 68 68 LEU HA H 1 4.390 0.030 . 1 . . . . 68 LEU HA . 10242 1 727 . 1 1 68 68 LEU HB2 H 1 1.527 0.030 . 2 . . . . 68 LEU HB2 . 10242 1 728 . 1 1 68 68 LEU HB3 H 1 1.412 0.030 . 2 . . . . 68 LEU HB3 . 10242 1 729 . 1 1 68 68 LEU HD11 H 1 0.756 0.030 . 1 . . . . 68 LEU HD1 . 10242 1 730 . 1 1 68 68 LEU HD12 H 1 0.756 0.030 . 1 . . . . 68 LEU HD1 . 10242 1 731 . 1 1 68 68 LEU HD13 H 1 0.756 0.030 . 1 . . . . 68 LEU HD1 . 10242 1 732 . 1 1 68 68 LEU HD21 H 1 0.767 0.030 . 1 . . . . 68 LEU HD2 . 10242 1 733 . 1 1 68 68 LEU HD22 H 1 0.767 0.030 . 1 . . . . 68 LEU HD2 . 10242 1 734 . 1 1 68 68 LEU HD23 H 1 0.767 0.030 . 1 . . . . 68 LEU HD2 . 10242 1 735 . 1 1 68 68 LEU HG H 1 1.458 0.030 . 1 . . . . 68 LEU HG . 10242 1 736 . 1 1 68 68 LEU C C 13 178.924 0.300 . 1 . . . . 68 LEU C . 10242 1 737 . 1 1 68 68 LEU CA C 13 56.990 0.300 . 1 . . . . 68 LEU CA . 10242 1 738 . 1 1 68 68 LEU CB C 13 42.392 0.300 . 1 . . . . 68 LEU CB . 10242 1 739 . 1 1 68 68 LEU CD1 C 13 26.064 0.300 . 2 . . . . 68 LEU CD1 . 10242 1 740 . 1 1 68 68 LEU CD2 C 13 23.925 0.300 . 2 . . . . 68 LEU CD2 . 10242 1 741 . 1 1 68 68 LEU CG C 13 28.617 0.300 . 1 . . . . 68 LEU CG . 10242 1 742 . 1 1 68 68 LEU N N 15 127.175 0.300 . 1 . . . . 68 LEU N . 10242 1 743 . 1 1 69 69 SER H H 1 7.666 0.030 . 1 . . . . 69 SER H . 10242 1 744 . 1 1 69 69 SER HA H 1 5.144 0.030 . 1 . . . . 69 SER HA . 10242 1 745 . 1 1 69 69 SER HB2 H 1 3.770 0.030 . 2 . . . . 69 SER HB2 . 10242 1 746 . 1 1 69 69 SER HB3 H 1 3.275 0.030 . 2 . . . . 69 SER HB3 . 10242 1 747 . 1 1 69 69 SER C C 13 172.722 0.300 . 1 . . . . 69 SER C . 10242 1 748 . 1 1 69 69 SER CA C 13 57.606 0.300 . 1 . . . . 69 SER CA . 10242 1 749 . 1 1 69 69 SER CB C 13 64.511 0.300 . 1 . . . . 69 SER CB . 10242 1 750 . 1 1 69 69 SER N N 15 110.346 0.300 . 1 . . . . 69 SER N . 10242 1 751 . 1 1 70 70 ILE H H 1 7.965 0.030 . 1 . . . . 70 ILE H . 10242 1 752 . 1 1 70 70 ILE HA H 1 4.548 0.030 . 1 . . . . 70 ILE HA . 10242 1 753 . 1 1 70 70 ILE HB H 1 1.550 0.030 . 1 . . . . 70 ILE HB . 10242 1 754 . 1 1 70 70 ILE HD11 H 1 0.842 0.030 . 1 . . . . 70 ILE HD1 . 10242 1 755 . 1 1 70 70 ILE HD12 H 1 0.842 0.030 . 1 . . . . 70 ILE HD1 . 10242 1 756 . 1 1 70 70 ILE HD13 H 1 0.842 0.030 . 1 . . . . 70 ILE HD1 . 10242 1 757 . 1 1 70 70 ILE HG12 H 1 1.600 0.030 . 2 . . . . 70 ILE HG12 . 10242 1 758 . 1 1 70 70 ILE HG13 H 1 0.969 0.030 . 2 . . . . 70 ILE HG13 . 10242 1 759 . 1 1 70 70 ILE HG21 H 1 0.729 0.030 . 1 . . . . 70 ILE HG2 . 10242 1 760 . 1 1 70 70 ILE HG22 H 1 0.729 0.030 . 1 . . . . 70 ILE HG2 . 10242 1 761 . 1 1 70 70 ILE HG23 H 1 0.729 0.030 . 1 . . . . 70 ILE HG2 . 10242 1 762 . 1 1 70 70 ILE C C 13 174.993 0.300 . 1 . . . . 70 ILE C . 10242 1 763 . 1 1 70 70 ILE CA C 13 60.897 0.300 . 1 . . . . 70 ILE CA . 10242 1 764 . 1 1 70 70 ILE CB C 13 41.186 0.300 . 1 . . . . 70 ILE CB . 10242 1 765 . 1 1 70 70 ILE CD1 C 13 13.804 0.300 . 1 . . . . 70 ILE CD1 . 10242 1 766 . 1 1 70 70 ILE CG1 C 13 27.838 0.300 . 1 . . . . 70 ILE CG1 . 10242 1 767 . 1 1 70 70 ILE CG2 C 13 16.590 0.300 . 1 . . . . 70 ILE CG2 . 10242 1 768 . 1 1 70 70 ILE N N 15 119.579 0.300 . 1 . . . . 70 ILE N . 10242 1 769 . 1 1 71 71 ASN H H 1 9.839 0.030 . 1 . . . . 71 ASN H . 10242 1 770 . 1 1 71 71 ASN HA H 1 4.485 0.030 . 1 . . . . 71 ASN HA . 10242 1 771 . 1 1 71 71 ASN HB2 H 1 3.124 0.030 . 2 . . . . 71 ASN HB2 . 10242 1 772 . 1 1 71 71 ASN HB3 H 1 2.994 0.030 . 2 . . . . 71 ASN HB3 . 10242 1 773 . 1 1 71 71 ASN HD21 H 1 7.893 0.030 . 2 . . . . 71 ASN HD21 . 10242 1 774 . 1 1 71 71 ASN HD22 H 1 7.813 0.030 . 2 . . . . 71 ASN HD22 . 10242 1 775 . 1 1 71 71 ASN C C 13 174.975 0.300 . 1 . . . . 71 ASN C . 10242 1 776 . 1 1 71 71 ASN CA C 13 54.085 0.300 . 1 . . . . 71 ASN CA . 10242 1 777 . 1 1 71 71 ASN CB C 13 36.255 0.300 . 1 . . . . 71 ASN CB . 10242 1 778 . 1 1 71 71 ASN N N 15 126.963 0.300 . 1 . . . . 71 ASN N . 10242 1 779 . 1 1 71 71 ASN ND2 N 15 111.444 0.300 . 1 . . . . 71 ASN ND2 . 10242 1 780 . 1 1 72 72 GLY H H 1 8.911 0.030 . 1 . . . . 72 GLY H . 10242 1 781 . 1 1 72 72 GLY HA2 H 1 4.149 0.030 . 2 . . . . 72 GLY HA2 . 10242 1 782 . 1 1 72 72 GLY HA3 H 1 3.507 0.030 . 2 . . . . 72 GLY HA3 . 10242 1 783 . 1 1 72 72 GLY C C 13 173.594 0.300 . 1 . . . . 72 GLY C . 10242 1 784 . 1 1 72 72 GLY CA C 13 45.162 0.300 . 1 . . . . 72 GLY CA . 10242 1 785 . 1 1 72 72 GLY N N 15 103.020 0.300 . 1 . . . . 72 GLY N . 10242 1 786 . 1 1 73 73 LYS H H 1 7.922 0.030 . 1 . . . . 73 LYS H . 10242 1 787 . 1 1 73 73 LYS HA H 1 4.485 0.030 . 1 . . . . 73 LYS HA . 10242 1 788 . 1 1 73 73 LYS HB2 H 1 2.005 0.030 . 2 . . . . 73 LYS HB2 . 10242 1 789 . 1 1 73 73 LYS HB3 H 1 1.813 0.030 . 2 . . . . 73 LYS HB3 . 10242 1 790 . 1 1 73 73 LYS HD2 H 1 1.865 0.030 . 2 . . . . 73 LYS HD2 . 10242 1 791 . 1 1 73 73 LYS HD3 H 1 1.715 0.030 . 2 . . . . 73 LYS HD3 . 10242 1 792 . 1 1 73 73 LYS HE2 H 1 3.034 0.030 . 1 . . . . 73 LYS HE2 . 10242 1 793 . 1 1 73 73 LYS HE3 H 1 3.034 0.030 . 1 . . . . 73 LYS HE3 . 10242 1 794 . 1 1 73 73 LYS HG2 H 1 1.437 0.030 . 1 . . . . 73 LYS HG2 . 10242 1 795 . 1 1 73 73 LYS HG3 H 1 1.437 0.030 . 1 . . . . 73 LYS HG3 . 10242 1 796 . 1 1 73 73 LYS C C 13 175.036 0.300 . 1 . . . . 73 LYS C . 10242 1 797 . 1 1 73 73 LYS CA C 13 54.719 0.300 . 1 . . . . 73 LYS CA . 10242 1 798 . 1 1 73 73 LYS CB C 13 32.137 0.300 . 1 . . . . 73 LYS CB . 10242 1 799 . 1 1 73 73 LYS CD C 13 28.914 0.300 . 1 . . . . 73 LYS CD . 10242 1 800 . 1 1 73 73 LYS CE C 13 42.457 0.300 . 1 . . . . 73 LYS CE . 10242 1 801 . 1 1 73 73 LYS CG C 13 24.812 0.300 . 1 . . . . 73 LYS CG . 10242 1 802 . 1 1 73 73 LYS N N 15 122.413 0.300 . 1 . . . . 73 LYS N . 10242 1 803 . 1 1 74 74 SER H H 1 8.585 0.030 . 1 . . . . 74 SER H . 10242 1 804 . 1 1 74 74 SER HA H 1 4.452 0.030 . 1 . . . . 74 SER HA . 10242 1 805 . 1 1 74 74 SER HB2 H 1 4.026 0.030 . 2 . . . . 74 SER HB2 . 10242 1 806 . 1 1 74 74 SER HB3 H 1 3.840 0.030 . 2 . . . . 74 SER HB3 . 10242 1 807 . 1 1 74 74 SER C C 13 175.965 0.300 . 1 . . . . 74 SER C . 10242 1 808 . 1 1 74 74 SER CA C 13 58.028 0.300 . 1 . . . . 74 SER CA . 10242 1 809 . 1 1 74 74 SER CB C 13 63.799 0.300 . 1 . . . . 74 SER CB . 10242 1 810 . 1 1 74 74 SER N N 15 118.737 0.300 . 1 . . . . 74 SER N . 10242 1 811 . 1 1 75 75 LEU H H 1 8.015 0.030 . 1 . . . . 75 LEU H . 10242 1 812 . 1 1 75 75 LEU HA H 1 4.661 0.030 . 1 . . . . 75 LEU HA . 10242 1 813 . 1 1 75 75 LEU HB2 H 1 1.876 0.030 . 2 . . . . 75 LEU HB2 . 10242 1 814 . 1 1 75 75 LEU HB3 H 1 1.693 0.030 . 2 . . . . 75 LEU HB3 . 10242 1 815 . 1 1 75 75 LEU HD11 H 1 0.884 0.030 . 1 . . . . 75 LEU HD1 . 10242 1 816 . 1 1 75 75 LEU HD12 H 1 0.884 0.030 . 1 . . . . 75 LEU HD1 . 10242 1 817 . 1 1 75 75 LEU HD13 H 1 0.884 0.030 . 1 . . . . 75 LEU HD1 . 10242 1 818 . 1 1 75 75 LEU HD21 H 1 0.840 0.030 . 1 . . . . 75 LEU HD2 . 10242 1 819 . 1 1 75 75 LEU HD22 H 1 0.840 0.030 . 1 . . . . 75 LEU HD2 . 10242 1 820 . 1 1 75 75 LEU HD23 H 1 0.840 0.030 . 1 . . . . 75 LEU HD2 . 10242 1 821 . 1 1 75 75 LEU HG H 1 1.586 0.030 . 1 . . . . 75 LEU HG . 10242 1 822 . 1 1 75 75 LEU C C 13 178.117 0.300 . 1 . . . . 75 LEU C . 10242 1 823 . 1 1 75 75 LEU CA C 13 53.980 0.300 . 1 . . . . 75 LEU CA . 10242 1 824 . 1 1 75 75 LEU CB C 13 40.830 0.300 . 1 . . . . 75 LEU CB . 10242 1 825 . 1 1 75 75 LEU CD1 C 13 25.896 0.300 . 2 . . . . 75 LEU CD1 . 10242 1 826 . 1 1 75 75 LEU CD2 C 13 24.797 0.300 . 2 . . . . 75 LEU CD2 . 10242 1 827 . 1 1 75 75 LEU CG C 13 28.782 0.300 . 1 . . . . 75 LEU CG . 10242 1 828 . 1 1 75 75 LEU N N 15 125.425 0.300 . 1 . . . . 75 LEU N . 10242 1 829 . 1 1 76 76 LYS H H 1 8.099 0.030 . 1 . . . . 76 LYS H . 10242 1 830 . 1 1 76 76 LYS HA H 1 4.210 0.030 . 1 . . . . 76 LYS HA . 10242 1 831 . 1 1 76 76 LYS HB2 H 1 1.881 0.030 . 2 . . . . 76 LYS HB2 . 10242 1 832 . 1 1 76 76 LYS HB3 H 1 1.776 0.030 . 2 . . . . 76 LYS HB3 . 10242 1 833 . 1 1 76 76 LYS HD2 H 1 1.720 0.030 . 1 . . . . 76 LYS HD2 . 10242 1 834 . 1 1 76 76 LYS HD3 H 1 1.720 0.030 . 1 . . . . 76 LYS HD3 . 10242 1 835 . 1 1 76 76 LYS HE2 H 1 2.985 0.030 . 1 . . . . 76 LYS HE2 . 10242 1 836 . 1 1 76 76 LYS HE3 H 1 2.985 0.030 . 1 . . . . 76 LYS HE3 . 10242 1 837 . 1 1 76 76 LYS HG2 H 1 1.513 0.030 . 2 . . . . 76 LYS HG2 . 10242 1 838 . 1 1 76 76 LYS HG3 H 1 1.418 0.030 . 2 . . . . 76 LYS HG3 . 10242 1 839 . 1 1 76 76 LYS C C 13 178.487 0.300 . 1 . . . . 76 LYS C . 10242 1 840 . 1 1 76 76 LYS CA C 13 58.010 0.300 . 1 . . . . 76 LYS CA . 10242 1 841 . 1 1 76 76 LYS CB C 13 31.683 0.300 . 1 . . . . 76 LYS CB . 10242 1 842 . 1 1 76 76 LYS CD C 13 29.186 0.300 . 1 . . . . 76 LYS CD . 10242 1 843 . 1 1 76 76 LYS CE C 13 42.105 0.300 . 1 . . . . 76 LYS CE . 10242 1 844 . 1 1 76 76 LYS CG C 13 24.388 0.300 . 1 . . . . 76 LYS CG . 10242 1 845 . 1 1 76 76 LYS N N 15 124.064 0.300 . 1 . . . . 76 LYS N . 10242 1 846 . 1 1 77 77 GLY H H 1 8.859 0.030 . 1 . . . . 77 GLY H . 10242 1 847 . 1 1 77 77 GLY HA2 H 1 4.110 0.030 . 2 . . . . 77 GLY HA2 . 10242 1 848 . 1 1 77 77 GLY HA3 H 1 3.869 0.030 . 2 . . . . 77 GLY HA3 . 10242 1 849 . 1 1 77 77 GLY C C 13 174.335 0.300 . 1 . . . . 77 GLY C . 10242 1 850 . 1 1 77 77 GLY CA C 13 46.232 0.300 . 1 . . . . 77 GLY CA . 10242 1 851 . 1 1 77 77 GLY N N 15 115.659 0.300 . 1 . . . . 77 GLY N . 10242 1 852 . 1 1 78 78 THR H H 1 7.654 0.030 . 1 . . . . 78 THR H . 10242 1 853 . 1 1 78 78 THR HA H 1 4.624 0.030 . 1 . . . . 78 THR HA . 10242 1 854 . 1 1 78 78 THR HB H 1 4.203 0.030 . 1 . . . . 78 THR HB . 10242 1 855 . 1 1 78 78 THR HG21 H 1 1.298 0.030 . 1 . . . . 78 THR HG2 . 10242 1 856 . 1 1 78 78 THR HG22 H 1 1.298 0.030 . 1 . . . . 78 THR HG2 . 10242 1 857 . 1 1 78 78 THR HG23 H 1 1.298 0.030 . 1 . . . . 78 THR HG2 . 10242 1 858 . 1 1 78 78 THR C C 13 177.272 0.300 . 1 . . . . 78 THR C . 10242 1 859 . 1 1 78 78 THR CA C 13 61.794 0.300 . 1 . . . . 78 THR CA . 10242 1 860 . 1 1 78 78 THR CB C 13 70.595 0.300 . 1 . . . . 78 THR CB . 10242 1 861 . 1 1 78 78 THR CG2 C 13 22.620 0.300 . 1 . . . . 78 THR CG2 . 10242 1 862 . 1 1 78 78 THR N N 15 112.847 0.300 . 1 . . . . 78 THR N . 10242 1 863 . 1 1 79 79 THR H H 1 8.813 0.030 . 1 . . . . 79 THR H . 10242 1 864 . 1 1 79 79 THR HA H 1 4.395 0.030 . 1 . . . . 79 THR HA . 10242 1 865 . 1 1 79 79 THR HB H 1 4.630 0.030 . 1 . . . . 79 THR HB . 10242 1 866 . 1 1 79 79 THR HG21 H 1 1.412 0.030 . 1 . . . . 79 THR HG2 . 10242 1 867 . 1 1 79 79 THR HG22 H 1 1.412 0.030 . 1 . . . . 79 THR HG2 . 10242 1 868 . 1 1 79 79 THR HG23 H 1 1.412 0.030 . 1 . . . . 79 THR HG2 . 10242 1 869 . 1 1 79 79 THR C C 13 174.503 0.300 . 1 . . . . 79 THR C . 10242 1 870 . 1 1 79 79 THR CA C 13 61.724 0.300 . 1 . . . . 79 THR CA . 10242 1 871 . 1 1 79 79 THR CB C 13 71.007 0.300 . 1 . . . . 79 THR CB . 10242 1 872 . 1 1 79 79 THR CG2 C 13 22.439 0.300 . 1 . . . . 79 THR CG2 . 10242 1 873 . 1 1 79 79 THR N N 15 114.123 0.300 . 1 . . . . 79 THR N . 10242 1 874 . 1 1 80 80 HIS H H 1 10.266 0.030 . 1 . . . . 80 HIS H . 10242 1 875 . 1 1 80 80 HIS HA H 1 4.331 0.030 . 1 . . . . 80 HIS HA . 10242 1 876 . 1 1 80 80 HIS HB2 H 1 3.427 0.030 . 2 . . . . 80 HIS HB2 . 10242 1 877 . 1 1 80 80 HIS HB3 H 1 3.138 0.030 . 2 . . . . 80 HIS HB3 . 10242 1 878 . 1 1 80 80 HIS HD2 H 1 7.001 0.030 . 1 . . . . 80 HIS HD2 . 10242 1 879 . 1 1 80 80 HIS HE1 H 1 7.986 0.030 . 1 . . . . 80 HIS HE1 . 10242 1 880 . 1 1 80 80 HIS C C 13 177.075 0.300 . 1 . . . . 80 HIS C . 10242 1 881 . 1 1 80 80 HIS CA C 13 61.338 0.300 . 1 . . . . 80 HIS CA . 10242 1 882 . 1 1 80 80 HIS CB C 13 28.651 0.300 . 1 . . . . 80 HIS CB . 10242 1 883 . 1 1 80 80 HIS CD2 C 13 124.643 0.300 . 1 . . . . 80 HIS CD2 . 10242 1 884 . 1 1 80 80 HIS CE1 C 13 138.008 0.300 . 1 . . . . 80 HIS CE1 . 10242 1 885 . 1 1 80 80 HIS N N 15 122.776 0.300 . 1 . . . . 80 HIS N . 10242 1 886 . 1 1 81 81 HIS H H 1 9.335 0.030 . 1 . . . . 81 HIS H . 10242 1 887 . 1 1 81 81 HIS HA H 1 4.078 0.030 . 1 . . . . 81 HIS HA . 10242 1 888 . 1 1 81 81 HIS HB2 H 1 3.287 0.030 . 2 . . . . 81 HIS HB2 . 10242 1 889 . 1 1 81 81 HIS HB3 H 1 3.069 0.030 . 2 . . . . 81 HIS HB3 . 10242 1 890 . 1 1 81 81 HIS HD2 H 1 7.207 0.030 . 1 . . . . 81 HIS HD2 . 10242 1 891 . 1 1 81 81 HIS HE1 H 1 8.108 0.030 . 1 . . . . 81 HIS HE1 . 10242 1 892 . 1 1 81 81 HIS C C 13 178.269 0.300 . 1 . . . . 81 HIS C . 10242 1 893 . 1 1 81 81 HIS CA C 13 60.210 0.300 . 1 . . . . 81 HIS CA . 10242 1 894 . 1 1 81 81 HIS CB C 13 29.569 0.300 . 1 . . . . 81 HIS CB . 10242 1 895 . 1 1 81 81 HIS CD2 C 13 121.137 0.300 . 1 . . . . 81 HIS CD2 . 10242 1 896 . 1 1 81 81 HIS CE1 C 13 137.578 0.300 . 1 . . . . 81 HIS CE1 . 10242 1 897 . 1 1 81 81 HIS N N 15 114.733 0.300 . 1 . . . . 81 HIS N . 10242 1 898 . 1 1 82 82 ASP H H 1 7.741 0.030 . 1 . . . . 82 ASP H . 10242 1 899 . 1 1 82 82 ASP HA H 1 4.452 0.030 . 1 . . . . 82 ASP HA . 10242 1 900 . 1 1 82 82 ASP HB2 H 1 2.857 0.030 . 2 . . . . 82 ASP HB2 . 10242 1 901 . 1 1 82 82 ASP HB3 H 1 2.596 0.030 . 2 . . . . 82 ASP HB3 . 10242 1 902 . 1 1 82 82 ASP C C 13 178.683 0.300 . 1 . . . . 82 ASP C . 10242 1 903 . 1 1 82 82 ASP CA C 13 57.148 0.300 . 1 . . . . 82 ASP CA . 10242 1 904 . 1 1 82 82 ASP CB C 13 39.522 0.300 . 1 . . . . 82 ASP CB . 10242 1 905 . 1 1 82 82 ASP N N 15 121.407 0.300 . 1 . . . . 82 ASP N . 10242 1 906 . 1 1 83 83 ALA H H 1 8.502 0.030 . 1 . . . . 83 ALA H . 10242 1 907 . 1 1 83 83 ALA HA H 1 3.939 0.030 . 1 . . . . 83 ALA HA . 10242 1 908 . 1 1 83 83 ALA HB1 H 1 1.479 0.030 . 1 . . . . 83 ALA HB . 10242 1 909 . 1 1 83 83 ALA HB2 H 1 1.479 0.030 . 1 . . . . 83 ALA HB . 10242 1 910 . 1 1 83 83 ALA HB3 H 1 1.479 0.030 . 1 . . . . 83 ALA HB . 10242 1 911 . 1 1 83 83 ALA C C 13 179.361 0.300 . 1 . . . . 83 ALA C . 10242 1 912 . 1 1 83 83 ALA CA C 13 55.635 0.300 . 1 . . . . 83 ALA CA . 10242 1 913 . 1 1 83 83 ALA CB C 13 18.124 0.300 . 1 . . . . 83 ALA CB . 10242 1 914 . 1 1 83 83 ALA N N 15 125.049 0.300 . 1 . . . . 83 ALA N . 10242 1 915 . 1 1 84 84 LEU H H 1 8.100 0.030 . 1 . . . . 84 LEU H . 10242 1 916 . 1 1 84 84 LEU HA H 1 3.792 0.030 . 1 . . . . 84 LEU HA . 10242 1 917 . 1 1 84 84 LEU HB2 H 1 1.703 0.030 . 2 . . . . 84 LEU HB2 . 10242 1 918 . 1 1 84 84 LEU HB3 H 1 1.403 0.030 . 2 . . . . 84 LEU HB3 . 10242 1 919 . 1 1 84 84 LEU HD11 H 1 0.713 0.030 . 1 . . . . 84 LEU HD1 . 10242 1 920 . 1 1 84 84 LEU HD12 H 1 0.713 0.030 . 1 . . . . 84 LEU HD1 . 10242 1 921 . 1 1 84 84 LEU HD13 H 1 0.713 0.030 . 1 . . . . 84 LEU HD1 . 10242 1 922 . 1 1 84 84 LEU HD21 H 1 0.779 0.030 . 1 . . . . 84 LEU HD2 . 10242 1 923 . 1 1 84 84 LEU HD22 H 1 0.779 0.030 . 1 . . . . 84 LEU HD2 . 10242 1 924 . 1 1 84 84 LEU HD23 H 1 0.779 0.030 . 1 . . . . 84 LEU HD2 . 10242 1 925 . 1 1 84 84 LEU HG H 1 1.482 0.030 . 1 . . . . 84 LEU HG . 10242 1 926 . 1 1 84 84 LEU C C 13 180.173 0.300 . 1 . . . . 84 LEU C . 10242 1 927 . 1 1 84 84 LEU CA C 13 57.932 0.300 . 1 . . . . 84 LEU CA . 10242 1 928 . 1 1 84 84 LEU CB C 13 41.157 0.300 . 1 . . . . 84 LEU CB . 10242 1 929 . 1 1 84 84 LEU CD1 C 13 24.627 0.300 . 2 . . . . 84 LEU CD1 . 10242 1 930 . 1 1 84 84 LEU CD2 C 13 23.553 0.300 . 2 . . . . 84 LEU CD2 . 10242 1 931 . 1 1 84 84 LEU CG C 13 27.464 0.300 . 1 . . . . 84 LEU CG . 10242 1 932 . 1 1 84 84 LEU N N 15 117.139 0.300 . 1 . . . . 84 LEU N . 10242 1 933 . 1 1 85 85 ALA H H 1 7.715 0.030 . 1 . . . . 85 ALA H . 10242 1 934 . 1 1 85 85 ALA HA H 1 4.061 0.030 . 1 . . . . 85 ALA HA . 10242 1 935 . 1 1 85 85 ALA HB1 H 1 1.483 0.030 . 1 . . . . 85 ALA HB . 10242 1 936 . 1 1 85 85 ALA HB2 H 1 1.483 0.030 . 1 . . . . 85 ALA HB . 10242 1 937 . 1 1 85 85 ALA HB3 H 1 1.483 0.030 . 1 . . . . 85 ALA HB . 10242 1 938 . 1 1 85 85 ALA C C 13 180.380 0.300 . 1 . . . . 85 ALA C . 10242 1 939 . 1 1 85 85 ALA CA C 13 55.212 0.300 . 1 . . . . 85 ALA CA . 10242 1 940 . 1 1 85 85 ALA CB C 13 17.803 0.300 . 1 . . . . 85 ALA CB . 10242 1 941 . 1 1 85 85 ALA N N 15 122.448 0.300 . 1 . . . . 85 ALA N . 10242 1 942 . 1 1 86 86 ILE H H 1 7.669 0.030 . 1 . . . . 86 ILE H . 10242 1 943 . 1 1 86 86 ILE HA H 1 3.678 0.030 . 1 . . . . 86 ILE HA . 10242 1 944 . 1 1 86 86 ILE HB H 1 1.960 0.030 . 1 . . . . 86 ILE HB . 10242 1 945 . 1 1 86 86 ILE HD11 H 1 0.804 0.030 . 1 . . . . 86 ILE HD1 . 10242 1 946 . 1 1 86 86 ILE HD12 H 1 0.804 0.030 . 1 . . . . 86 ILE HD1 . 10242 1 947 . 1 1 86 86 ILE HD13 H 1 0.804 0.030 . 1 . . . . 86 ILE HD1 . 10242 1 948 . 1 1 86 86 ILE HG12 H 1 1.850 0.030 . 2 . . . . 86 ILE HG12 . 10242 1 949 . 1 1 86 86 ILE HG13 H 1 0.997 0.030 . 2 . . . . 86 ILE HG13 . 10242 1 950 . 1 1 86 86 ILE HG21 H 1 0.899 0.030 . 1 . . . . 86 ILE HG2 . 10242 1 951 . 1 1 86 86 ILE HG22 H 1 0.899 0.030 . 1 . . . . 86 ILE HG2 . 10242 1 952 . 1 1 86 86 ILE HG23 H 1 0.899 0.030 . 1 . . . . 86 ILE HG2 . 10242 1 953 . 1 1 86 86 ILE C C 13 178.692 0.300 . 1 . . . . 86 ILE C . 10242 1 954 . 1 1 86 86 ILE CA C 13 65.226 0.300 . 1 . . . . 86 ILE CA . 10242 1 955 . 1 1 86 86 ILE CB C 13 38.099 0.300 . 1 . . . . 86 ILE CB . 10242 1 956 . 1 1 86 86 ILE CD1 C 13 13.999 0.300 . 1 . . . . 86 ILE CD1 . 10242 1 957 . 1 1 86 86 ILE CG1 C 13 29.937 0.300 . 1 . . . . 86 ILE CG1 . 10242 1 958 . 1 1 86 86 ILE CG2 C 13 18.073 0.300 . 1 . . . . 86 ILE CG2 . 10242 1 959 . 1 1 86 86 ILE N N 15 121.804 0.300 . 1 . . . . 86 ILE N . 10242 1 960 . 1 1 87 87 LEU H H 1 7.922 0.030 . 1 . . . . 87 LEU H . 10242 1 961 . 1 1 87 87 LEU HA H 1 3.903 0.030 . 1 . . . . 87 LEU HA . 10242 1 962 . 1 1 87 87 LEU HB2 H 1 2.013 0.030 . 2 . . . . 87 LEU HB2 . 10242 1 963 . 1 1 87 87 LEU HB3 H 1 1.283 0.030 . 2 . . . . 87 LEU HB3 . 10242 1 964 . 1 1 87 87 LEU HD11 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10242 1 965 . 1 1 87 87 LEU HD12 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10242 1 966 . 1 1 87 87 LEU HD13 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10242 1 967 . 1 1 87 87 LEU HD21 H 1 0.477 0.030 . 1 . . . . 87 LEU HD2 . 10242 1 968 . 1 1 87 87 LEU HD22 H 1 0.477 0.030 . 1 . . . . 87 LEU HD2 . 10242 1 969 . 1 1 87 87 LEU HD23 H 1 0.477 0.030 . 1 . . . . 87 LEU HD2 . 10242 1 970 . 1 1 87 87 LEU HG H 1 1.496 0.030 . 1 . . . . 87 LEU HG . 10242 1 971 . 1 1 87 87 LEU C C 13 178.610 0.300 . 1 . . . . 87 LEU C . 10242 1 972 . 1 1 87 87 LEU CA C 13 58.221 0.300 . 1 . . . . 87 LEU CA . 10242 1 973 . 1 1 87 87 LEU CB C 13 42.344 0.300 . 1 . . . . 87 LEU CB . 10242 1 974 . 1 1 87 87 LEU CD1 C 13 26.109 0.300 . 2 . . . . 87 LEU CD1 . 10242 1 975 . 1 1 87 87 LEU CD2 C 13 24.110 0.300 . 2 . . . . 87 LEU CD2 . 10242 1 976 . 1 1 87 87 LEU CG C 13 26.514 0.300 . 1 . . . . 87 LEU CG . 10242 1 977 . 1 1 87 87 LEU N N 15 121.947 0.300 . 1 . . . . 87 LEU N . 10242 1 978 . 1 1 88 88 ARG H H 1 8.317 0.030 . 1 . . . . 88 ARG H . 10242 1 979 . 1 1 88 88 ARG HA H 1 4.060 0.030 . 1 . . . . 88 ARG HA . 10242 1 980 . 1 1 88 88 ARG HB2 H 1 1.949 0.030 . 1 . . . . 88 ARG HB2 . 10242 1 981 . 1 1 88 88 ARG HB3 H 1 1.949 0.030 . 1 . . . . 88 ARG HB3 . 10242 1 982 . 1 1 88 88 ARG HD2 H 1 3.219 0.030 . 1 . . . . 88 ARG HD2 . 10242 1 983 . 1 1 88 88 ARG HD3 H 1 3.219 0.030 . 1 . . . . 88 ARG HD3 . 10242 1 984 . 1 1 88 88 ARG HG2 H 1 1.729 0.030 . 2 . . . . 88 ARG HG2 . 10242 1 985 . 1 1 88 88 ARG HG3 H 1 1.597 0.030 . 2 . . . . 88 ARG HG3 . 10242 1 986 . 1 1 88 88 ARG C C 13 180.698 0.300 . 1 . . . . 88 ARG C . 10242 1 987 . 1 1 88 88 ARG CA C 13 59.383 0.300 . 1 . . . . 88 ARG CA . 10242 1 988 . 1 1 88 88 ARG CB C 13 30.055 0.300 . 1 . . . . 88 ARG CB . 10242 1 989 . 1 1 88 88 ARG CD C 13 43.378 0.300 . 1 . . . . 88 ARG CD . 10242 1 990 . 1 1 88 88 ARG CG C 13 27.822 0.300 . 1 . . . . 88 ARG CG . 10242 1 991 . 1 1 88 88 ARG N N 15 119.343 0.300 . 1 . . . . 88 ARG N . 10242 1 992 . 1 1 89 89 GLN H H 1 8.270 0.030 . 1 . . . . 89 GLN H . 10242 1 993 . 1 1 89 89 GLN HA H 1 4.122 0.030 . 1 . . . . 89 GLN HA . 10242 1 994 . 1 1 89 89 GLN HB2 H 1 2.261 0.030 . 2 . . . . 89 GLN HB2 . 10242 1 995 . 1 1 89 89 GLN HB3 H 1 2.185 0.030 . 2 . . . . 89 GLN HB3 . 10242 1 996 . 1 1 89 89 GLN HE21 H 1 7.371 0.030 . 2 . . . . 89 GLN HE21 . 10242 1 997 . 1 1 89 89 GLN HE22 H 1 6.804 0.030 . 2 . . . . 89 GLN HE22 . 10242 1 998 . 1 1 89 89 GLN HG2 H 1 2.621 0.030 . 2 . . . . 89 GLN HG2 . 10242 1 999 . 1 1 89 89 GLN HG3 H 1 2.526 0.030 . 2 . . . . 89 GLN HG3 . 10242 1 1000 . 1 1 89 89 GLN C C 13 177.955 0.300 . 1 . . . . 89 GLN C . 10242 1 1001 . 1 1 89 89 GLN CA C 13 58.714 0.300 . 1 . . . . 89 GLN CA . 10242 1 1002 . 1 1 89 89 GLN CB C 13 28.160 0.300 . 1 . . . . 89 GLN CB . 10242 1 1003 . 1 1 89 89 GLN CG C 13 34.479 0.300 . 1 . . . . 89 GLN CG . 10242 1 1004 . 1 1 89 89 GLN N N 15 121.097 0.300 . 1 . . . . 89 GLN N . 10242 1 1005 . 1 1 89 89 GLN NE2 N 15 110.938 0.300 . 1 . . . . 89 GLN NE2 . 10242 1 1006 . 1 1 90 90 ALA H H 1 7.558 0.030 . 1 . . . . 90 ALA H . 10242 1 1007 . 1 1 90 90 ALA HA H 1 4.123 0.030 . 1 . . . . 90 ALA HA . 10242 1 1008 . 1 1 90 90 ALA HB1 H 1 1.515 0.030 . 1 . . . . 90 ALA HB . 10242 1 1009 . 1 1 90 90 ALA HB2 H 1 1.515 0.030 . 1 . . . . 90 ALA HB . 10242 1 1010 . 1 1 90 90 ALA HB3 H 1 1.515 0.030 . 1 . . . . 90 ALA HB . 10242 1 1011 . 1 1 90 90 ALA C C 13 178.076 0.300 . 1 . . . . 90 ALA C . 10242 1 1012 . 1 1 90 90 ALA CA C 13 52.942 0.300 . 1 . . . . 90 ALA CA . 10242 1 1013 . 1 1 90 90 ALA CB C 13 18.015 0.300 . 1 . . . . 90 ALA CB . 10242 1 1014 . 1 1 90 90 ALA N N 15 119.652 0.300 . 1 . . . . 90 ALA N . 10242 1 1015 . 1 1 91 91 ARG H H 1 7.768 0.030 . 1 . . . . 91 ARG H . 10242 1 1016 . 1 1 91 91 ARG HA H 1 4.065 0.030 . 1 . . . . 91 ARG HA . 10242 1 1017 . 1 1 91 91 ARG HB2 H 1 1.791 0.030 . 2 . . . . 91 ARG HB2 . 10242 1 1018 . 1 1 91 91 ARG HB3 H 1 1.682 0.030 . 2 . . . . 91 ARG HB3 . 10242 1 1019 . 1 1 91 91 ARG HD2 H 1 3.277 0.030 . 2 . . . . 91 ARG HD2 . 10242 1 1020 . 1 1 91 91 ARG HD3 H 1 3.191 0.030 . 2 . . . . 91 ARG HD3 . 10242 1 1021 . 1 1 91 91 ARG HG2 H 1 1.518 0.030 . 2 . . . . 91 ARG HG2 . 10242 1 1022 . 1 1 91 91 ARG C C 13 177.858 0.300 . 1 . . . . 91 ARG C . 10242 1 1023 . 1 1 91 91 ARG CA C 13 58.573 0.300 . 1 . . . . 91 ARG CA . 10242 1 1024 . 1 1 91 91 ARG CB C 13 30.384 0.300 . 1 . . . . 91 ARG CB . 10242 1 1025 . 1 1 91 91 ARG CD C 13 43.850 0.300 . 1 . . . . 91 ARG CD . 10242 1 1026 . 1 1 91 91 ARG CG C 13 28.150 0.300 . 1 . . . . 91 ARG CG . 10242 1 1027 . 1 1 91 91 ARG N N 15 118.081 0.300 . 1 . . . . 91 ARG N . 10242 1 1028 . 1 1 92 92 GLU H H 1 7.691 0.030 . 1 . . . . 92 GLU H . 10242 1 1029 . 1 1 92 92 GLU HA H 1 4.123 0.030 . 1 . . . . 92 GLU HA . 10242 1 1030 . 1 1 92 92 GLU HB2 H 1 2.221 0.030 . 2 . . . . 92 GLU HB2 . 10242 1 1031 . 1 1 92 92 GLU HB3 H 1 2.126 0.030 . 2 . . . . 92 GLU HB3 . 10242 1 1032 . 1 1 92 92 GLU HG2 H 1 2.441 0.030 . 2 . . . . 92 GLU HG2 . 10242 1 1033 . 1 1 92 92 GLU HG3 H 1 2.273 0.030 . 2 . . . . 92 GLU HG3 . 10242 1 1034 . 1 1 92 92 GLU C C 13 174.459 0.300 . 1 . . . . 92 GLU C . 10242 1 1035 . 1 1 92 92 GLU CA C 13 61.565 0.300 . 1 . . . . 92 GLU CA . 10242 1 1036 . 1 1 92 92 GLU CB C 13 27.583 0.300 . 1 . . . . 92 GLU CB . 10242 1 1037 . 1 1 92 92 GLU CG C 13 36.505 0.300 . 1 . . . . 92 GLU CG . 10242 1 1038 . 1 1 92 92 GLU N N 15 118.447 0.300 . 1 . . . . 92 GLU N . 10242 1 1039 . 1 1 93 93 PRO HA H 1 4.716 0.030 . 1 . . . . 93 PRO HA . 10242 1 1040 . 1 1 93 93 PRO HB2 H 1 2.532 0.030 . 2 . . . . 93 PRO HB2 . 10242 1 1041 . 1 1 93 93 PRO HB3 H 1 2.146 0.030 . 2 . . . . 93 PRO HB3 . 10242 1 1042 . 1 1 93 93 PRO HD2 H 1 3.846 0.030 . 2 . . . . 93 PRO HD2 . 10242 1 1043 . 1 1 93 93 PRO HD3 H 1 3.480 0.030 . 2 . . . . 93 PRO HD3 . 10242 1 1044 . 1 1 93 93 PRO HG2 H 1 1.996 0.030 . 1 . . . . 93 PRO HG2 . 10242 1 1045 . 1 1 93 93 PRO HG3 H 1 1.996 0.030 . 1 . . . . 93 PRO HG3 . 10242 1 1046 . 1 1 93 93 PRO C C 13 176.221 0.300 . 1 . . . . 93 PRO C . 10242 1 1047 . 1 1 93 93 PRO CA C 13 63.149 0.300 . 1 . . . . 93 PRO CA . 10242 1 1048 . 1 1 93 93 PRO CB C 13 32.571 0.300 . 1 . . . . 93 PRO CB . 10242 1 1049 . 1 1 93 93 PRO CD C 13 49.953 0.300 . 1 . . . . 93 PRO CD . 10242 1 1050 . 1 1 93 93 PRO CG C 13 27.794 0.300 . 1 . . . . 93 PRO CG . 10242 1 1051 . 1 1 94 94 ARG H H 1 8.434 0.030 . 1 . . . . 94 ARG H . 10242 1 1052 . 1 1 94 94 ARG HA H 1 4.232 0.030 . 1 . . . . 94 ARG HA . 10242 1 1053 . 1 1 94 94 ARG HB2 H 1 2.264 0.030 . 2 . . . . 94 ARG HB2 . 10242 1 1054 . 1 1 94 94 ARG HB3 H 1 1.769 0.030 . 2 . . . . 94 ARG HB3 . 10242 1 1055 . 1 1 94 94 ARG HD2 H 1 3.341 0.030 . 2 . . . . 94 ARG HD2 . 10242 1 1056 . 1 1 94 94 ARG HG2 H 1 1.827 0.030 . 2 . . . . 94 ARG HG2 . 10242 1 1057 . 1 1 94 94 ARG HG3 H 1 1.740 0.030 . 2 . . . . 94 ARG HG3 . 10242 1 1058 . 1 1 94 94 ARG C C 13 175.323 0.300 . 1 . . . . 94 ARG C . 10242 1 1059 . 1 1 94 94 ARG CA C 13 56.972 0.300 . 1 . . . . 94 ARG CA . 10242 1 1060 . 1 1 94 94 ARG CB C 13 30.448 0.300 . 1 . . . . 94 ARG CB . 10242 1 1061 . 1 1 94 94 ARG CD C 13 43.528 0.300 . 1 . . . . 94 ARG CD . 10242 1 1062 . 1 1 94 94 ARG CG C 13 28.288 0.300 . 1 . . . . 94 ARG CG . 10242 1 1063 . 1 1 94 94 ARG N N 15 115.987 0.300 . 1 . . . . 94 ARG N . 10242 1 1064 . 1 1 95 95 GLN H H 1 7.246 0.030 . 1 . . . . 95 GLN H . 10242 1 1065 . 1 1 95 95 GLN HA H 1 5.251 0.030 . 1 . . . . 95 GLN HA . 10242 1 1066 . 1 1 95 95 GLN HB2 H 1 1.927 0.030 . 2 . . . . 95 GLN HB2 . 10242 1 1067 . 1 1 95 95 GLN HB3 H 1 1.821 0.030 . 2 . . . . 95 GLN HB3 . 10242 1 1068 . 1 1 95 95 GLN HE21 H 1 7.238 0.030 . 2 . . . . 95 GLN HE21 . 10242 1 1069 . 1 1 95 95 GLN HE22 H 1 6.802 0.030 . 2 . . . . 95 GLN HE22 . 10242 1 1070 . 1 1 95 95 GLN HG2 H 1 2.000 0.030 . 1 . . . . 95 GLN HG2 . 10242 1 1071 . 1 1 95 95 GLN HG3 H 1 2.000 0.030 . 1 . . . . 95 GLN HG3 . 10242 1 1072 . 1 1 95 95 GLN C C 13 174.786 0.300 . 1 . . . . 95 GLN C . 10242 1 1073 . 1 1 95 95 GLN CA C 13 54.209 0.300 . 1 . . . . 95 GLN CA . 10242 1 1074 . 1 1 95 95 GLN CB C 13 32.384 0.300 . 1 . . . . 95 GLN CB . 10242 1 1075 . 1 1 95 95 GLN CG C 13 34.301 0.300 . 1 . . . . 95 GLN CG . 10242 1 1076 . 1 1 95 95 GLN N N 15 115.998 0.300 . 1 . . . . 95 GLN N . 10242 1 1077 . 1 1 95 95 GLN NE2 N 15 110.938 0.300 . 1 . . . . 95 GLN NE2 . 10242 1 1078 . 1 1 96 96 ALA H H 1 8.739 0.030 . 1 . . . . 96 ALA H . 10242 1 1079 . 1 1 96 96 ALA HA H 1 5.412 0.030 . 1 . . . . 96 ALA HA . 10242 1 1080 . 1 1 96 96 ALA HB1 H 1 1.303 0.030 . 1 . . . . 96 ALA HB . 10242 1 1081 . 1 1 96 96 ALA HB2 H 1 1.303 0.030 . 1 . . . . 96 ALA HB . 10242 1 1082 . 1 1 96 96 ALA HB3 H 1 1.303 0.030 . 1 . . . . 96 ALA HB . 10242 1 1083 . 1 1 96 96 ALA C C 13 175.258 0.300 . 1 . . . . 96 ALA C . 10242 1 1084 . 1 1 96 96 ALA CA C 13 50.355 0.300 . 1 . . . . 96 ALA CA . 10242 1 1085 . 1 1 96 96 ALA CB C 13 24.270 0.300 . 1 . . . . 96 ALA CB . 10242 1 1086 . 1 1 96 96 ALA N N 15 126.197 0.300 . 1 . . . . 96 ALA N . 10242 1 1087 . 1 1 97 97 VAL H H 1 8.568 0.030 . 1 . . . . 97 VAL H . 10242 1 1088 . 1 1 97 97 VAL HA H 1 4.804 0.030 . 1 . . . . 97 VAL HA . 10242 1 1089 . 1 1 97 97 VAL HB H 1 1.896 0.030 . 1 . . . . 97 VAL HB . 10242 1 1090 . 1 1 97 97 VAL HG11 H 1 0.721 0.030 . 1 . . . . 97 VAL HG1 . 10242 1 1091 . 1 1 97 97 VAL HG12 H 1 0.721 0.030 . 1 . . . . 97 VAL HG1 . 10242 1 1092 . 1 1 97 97 VAL HG13 H 1 0.721 0.030 . 1 . . . . 97 VAL HG1 . 10242 1 1093 . 1 1 97 97 VAL HG21 H 1 0.853 0.030 . 1 . . . . 97 VAL HG2 . 10242 1 1094 . 1 1 97 97 VAL HG22 H 1 0.853 0.030 . 1 . . . . 97 VAL HG2 . 10242 1 1095 . 1 1 97 97 VAL HG23 H 1 0.853 0.030 . 1 . . . . 97 VAL HG2 . 10242 1 1096 . 1 1 97 97 VAL C C 13 175.982 0.300 . 1 . . . . 97 VAL C . 10242 1 1097 . 1 1 97 97 VAL CA C 13 61.442 0.300 . 1 . . . . 97 VAL CA . 10242 1 1098 . 1 1 97 97 VAL CB C 13 33.413 0.300 . 1 . . . . 97 VAL CB . 10242 1 1099 . 1 1 97 97 VAL CG1 C 13 21.000 0.300 . 2 . . . . 97 VAL CG1 . 10242 1 1100 . 1 1 97 97 VAL CG2 C 13 20.617 0.300 . 2 . . . . 97 VAL CG2 . 10242 1 1101 . 1 1 97 97 VAL N N 15 120.702 0.300 . 1 . . . . 97 VAL N . 10242 1 1102 . 1 1 98 98 ILE H H 1 9.753 0.030 . 1 . . . . 98 ILE H . 10242 1 1103 . 1 1 98 98 ILE HA H 1 4.826 0.030 . 1 . . . . 98 ILE HA . 10242 1 1104 . 1 1 98 98 ILE HB H 1 1.881 0.030 . 1 . . . . 98 ILE HB . 10242 1 1105 . 1 1 98 98 ILE HD11 H 1 0.918 0.030 . 1 . . . . 98 ILE HD1 . 10242 1 1106 . 1 1 98 98 ILE HD12 H 1 0.918 0.030 . 1 . . . . 98 ILE HD1 . 10242 1 1107 . 1 1 98 98 ILE HD13 H 1 0.918 0.030 . 1 . . . . 98 ILE HD1 . 10242 1 1108 . 1 1 98 98 ILE HG12 H 1 1.395 0.030 . 2 . . . . 98 ILE HG12 . 10242 1 1109 . 1 1 98 98 ILE HG13 H 1 1.310 0.030 . 2 . . . . 98 ILE HG13 . 10242 1 1110 . 1 1 98 98 ILE HG21 H 1 0.877 0.030 . 1 . . . . 98 ILE HG2 . 10242 1 1111 . 1 1 98 98 ILE HG22 H 1 0.877 0.030 . 1 . . . . 98 ILE HG2 . 10242 1 1112 . 1 1 98 98 ILE HG23 H 1 0.877 0.030 . 1 . . . . 98 ILE HG2 . 10242 1 1113 . 1 1 98 98 ILE C C 13 174.292 0.300 . 1 . . . . 98 ILE C . 10242 1 1114 . 1 1 98 98 ILE CA C 13 59.981 0.300 . 1 . . . . 98 ILE CA . 10242 1 1115 . 1 1 98 98 ILE CB C 13 40.608 0.300 . 1 . . . . 98 ILE CB . 10242 1 1116 . 1 1 98 98 ILE CD1 C 13 15.477 0.300 . 1 . . . . 98 ILE CD1 . 10242 1 1117 . 1 1 98 98 ILE CG1 C 13 28.584 0.300 . 1 . . . . 98 ILE CG1 . 10242 1 1118 . 1 1 98 98 ILE CG2 C 13 19.598 0.300 . 1 . . . . 98 ILE CG2 . 10242 1 1119 . 1 1 98 98 ILE N N 15 131.738 0.300 . 1 . . . . 98 ILE N . 10242 1 1120 . 1 1 99 99 VAL H H 1 8.493 0.030 . 1 . . . . 99 VAL H . 10242 1 1121 . 1 1 99 99 VAL HA H 1 5.201 0.030 . 1 . . . . 99 VAL HA . 10242 1 1122 . 1 1 99 99 VAL HB H 1 2.131 0.030 . 1 . . . . 99 VAL HB . 10242 1 1123 . 1 1 99 99 VAL HG11 H 1 0.919 0.030 . 1 . . . . 99 VAL HG1 . 10242 1 1124 . 1 1 99 99 VAL HG12 H 1 0.919 0.030 . 1 . . . . 99 VAL HG1 . 10242 1 1125 . 1 1 99 99 VAL HG13 H 1 0.919 0.030 . 1 . . . . 99 VAL HG1 . 10242 1 1126 . 1 1 99 99 VAL HG21 H 1 0.847 0.030 . 1 . . . . 99 VAL HG2 . 10242 1 1127 . 1 1 99 99 VAL HG22 H 1 0.847 0.030 . 1 . . . . 99 VAL HG2 . 10242 1 1128 . 1 1 99 99 VAL HG23 H 1 0.847 0.030 . 1 . . . . 99 VAL HG2 . 10242 1 1129 . 1 1 99 99 VAL C C 13 176.557 0.300 . 1 . . . . 99 VAL C . 10242 1 1130 . 1 1 99 99 VAL CA C 13 61.495 0.300 . 1 . . . . 99 VAL CA . 10242 1 1131 . 1 1 99 99 VAL CB C 13 32.327 0.300 . 1 . . . . 99 VAL CB . 10242 1 1132 . 1 1 99 99 VAL CG1 C 13 22.301 0.300 . 2 . . . . 99 VAL CG1 . 10242 1 1133 . 1 1 99 99 VAL CG2 C 13 21.427 0.300 . 2 . . . . 99 VAL CG2 . 10242 1 1134 . 1 1 99 99 VAL N N 15 129.537 0.300 . 1 . . . . 99 VAL N . 10242 1 1135 . 1 1 100 100 THR H H 1 9.050 0.030 . 1 . . . . 100 THR H . 10242 1 1136 . 1 1 100 100 THR HA H 1 5.606 0.030 . 1 . . . . 100 THR HA . 10242 1 1137 . 1 1 100 100 THR HB H 1 4.085 0.030 . 1 . . . . 100 THR HB . 10242 1 1138 . 1 1 100 100 THR HG21 H 1 1.061 0.030 . 1 . . . . 100 THR HG2 . 10242 1 1139 . 1 1 100 100 THR HG22 H 1 1.061 0.030 . 1 . . . . 100 THR HG2 . 10242 1 1140 . 1 1 100 100 THR HG23 H 1 1.061 0.030 . 1 . . . . 100 THR HG2 . 10242 1 1141 . 1 1 100 100 THR C C 13 172.815 0.300 . 1 . . . . 100 THR C . 10242 1 1142 . 1 1 100 100 THR CA C 13 59.049 0.300 . 1 . . . . 100 THR CA . 10242 1 1143 . 1 1 100 100 THR CB C 13 73.966 0.300 . 1 . . . . 100 THR CB . 10242 1 1144 . 1 1 100 100 THR CG2 C 13 22.051 0.300 . 1 . . . . 100 THR CG2 . 10242 1 1145 . 1 1 100 100 THR N N 15 117.469 0.300 . 1 . . . . 100 THR N . 10242 1 1146 . 1 1 101 101 ARG H H 1 8.773 0.030 . 1 . . . . 101 ARG H . 10242 1 1147 . 1 1 101 101 ARG HA H 1 4.989 0.030 . 1 . . . . 101 ARG HA . 10242 1 1148 . 1 1 101 101 ARG HB2 H 1 1.771 0.030 . 2 . . . . 101 ARG HB2 . 10242 1 1149 . 1 1 101 101 ARG HB3 H 1 1.571 0.030 . 2 . . . . 101 ARG HB3 . 10242 1 1150 . 1 1 101 101 ARG HD2 H 1 3.168 0.030 . 2 . . . . 101 ARG HD2 . 10242 1 1151 . 1 1 101 101 ARG HD3 H 1 3.084 0.030 . 2 . . . . 101 ARG HD3 . 10242 1 1152 . 1 1 101 101 ARG HE H 1 7.274 0.030 . 1 . . . . 101 ARG HE . 10242 1 1153 . 1 1 101 101 ARG HG2 H 1 1.530 0.030 . 2 . . . . 101 ARG HG2 . 10242 1 1154 . 1 1 101 101 ARG HG3 H 1 1.464 0.030 . 2 . . . . 101 ARG HG3 . 10242 1 1155 . 1 1 101 101 ARG C C 13 174.738 0.300 . 1 . . . . 101 ARG C . 10242 1 1156 . 1 1 101 101 ARG CA C 13 54.825 0.300 . 1 . . . . 101 ARG CA . 10242 1 1157 . 1 1 101 101 ARG CB C 13 34.636 0.300 . 1 . . . . 101 ARG CB . 10242 1 1158 . 1 1 101 101 ARG CD C 13 43.940 0.300 . 1 . . . . 101 ARG CD . 10242 1 1159 . 1 1 101 101 ARG CG C 13 26.909 0.300 . 1 . . . . 101 ARG CG . 10242 1 1160 . 1 1 101 101 ARG N N 15 117.532 0.300 . 1 . . . . 101 ARG N . 10242 1 1161 . 1 1 101 101 ARG NE N 15 83.412 0.300 . 1 . . . . 101 ARG NE . 10242 1 1162 . 1 1 102 102 LYS H H 1 8.616 0.030 . 1 . . . . 102 LYS H . 10242 1 1163 . 1 1 102 102 LYS HA H 1 4.232 0.030 . 1 . . . . 102 LYS HA . 10242 1 1164 . 1 1 102 102 LYS HB2 H 1 1.799 0.030 . 2 . . . . 102 LYS HB2 . 10242 1 1165 . 1 1 102 102 LYS HB3 H 1 1.726 0.030 . 2 . . . . 102 LYS HB3 . 10242 1 1166 . 1 1 102 102 LYS HD2 H 1 1.647 0.030 . 2 . . . . 102 LYS HD2 . 10242 1 1167 . 1 1 102 102 LYS HE2 H 1 2.917 0.030 . 1 . . . . 102 LYS HE2 . 10242 1 1168 . 1 1 102 102 LYS HE3 H 1 2.917 0.030 . 1 . . . . 102 LYS HE3 . 10242 1 1169 . 1 1 102 102 LYS HG2 H 1 1.441 0.030 . 2 . . . . 102 LYS HG2 . 10242 1 1170 . 1 1 102 102 LYS HG3 H 1 1.368 0.030 . 2 . . . . 102 LYS HG3 . 10242 1 1171 . 1 1 102 102 LYS C C 13 175.935 0.300 . 1 . . . . 102 LYS C . 10242 1 1172 . 1 1 102 102 LYS CA C 13 56.549 0.300 . 1 . . . . 102 LYS CA . 10242 1 1173 . 1 1 102 102 LYS CB C 13 33.266 0.300 . 1 . . . . 102 LYS CB . 10242 1 1174 . 1 1 102 102 LYS CD C 13 29.359 0.300 . 1 . . . . 102 LYS CD . 10242 1 1175 . 1 1 102 102 LYS CE C 13 42.167 0.300 . 1 . . . . 102 LYS CE . 10242 1 1176 . 1 1 102 102 LYS CG C 13 24.828 0.300 . 1 . . . . 102 LYS CG . 10242 1 1177 . 1 1 102 102 LYS N N 15 126.899 0.300 . 1 . . . . 102 LYS N . 10242 1 1178 . 1 1 103 103 LEU H H 1 8.424 0.030 . 1 . . . . 103 LEU H . 10242 1 1179 . 1 1 103 103 LEU HA H 1 4.540 0.030 . 1 . . . . 103 LEU HA . 10242 1 1180 . 1 1 103 103 LEU HB2 H 1 1.720 0.030 . 2 . . . . 103 LEU HB2 . 10242 1 1181 . 1 1 103 103 LEU HB3 H 1 1.599 0.030 . 2 . . . . 103 LEU HB3 . 10242 1 1182 . 1 1 103 103 LEU HD11 H 1 0.944 0.030 . 1 . . . . 103 LEU HD1 . 10242 1 1183 . 1 1 103 103 LEU HD12 H 1 0.944 0.030 . 1 . . . . 103 LEU HD1 . 10242 1 1184 . 1 1 103 103 LEU HD13 H 1 0.944 0.030 . 1 . . . . 103 LEU HD1 . 10242 1 1185 . 1 1 103 103 LEU HD21 H 1 0.897 0.030 . 1 . . . . 103 LEU HD2 . 10242 1 1186 . 1 1 103 103 LEU HD22 H 1 0.897 0.030 . 1 . . . . 103 LEU HD2 . 10242 1 1187 . 1 1 103 103 LEU HD23 H 1 0.897 0.030 . 1 . . . . 103 LEU HD2 . 10242 1 1188 . 1 1 103 103 LEU HG H 1 1.697 0.030 . 1 . . . . 103 LEU HG . 10242 1 1189 . 1 1 103 103 LEU C C 13 176.956 0.300 . 1 . . . . 103 LEU C . 10242 1 1190 . 1 1 103 103 LEU CA C 13 54.755 0.300 . 1 . . . . 103 LEU CA . 10242 1 1191 . 1 1 103 103 LEU CB C 13 42.929 0.300 . 1 . . . . 103 LEU CB . 10242 1 1192 . 1 1 103 103 LEU CD1 C 13 25.075 0.300 . 2 . . . . 103 LEU CD1 . 10242 1 1193 . 1 1 103 103 LEU CD2 C 13 23.510 0.300 . 2 . . . . 103 LEU CD2 . 10242 1 1194 . 1 1 103 103 LEU CG C 13 27.382 0.300 . 1 . . . . 103 LEU CG . 10242 1 1195 . 1 1 103 103 LEU N N 15 126.246 0.300 . 1 . . . . 103 LEU N . 10242 1 1196 . 1 1 104 104 THR H H 1 8.201 0.030 . 1 . . . . 104 THR H . 10242 1 1197 . 1 1 104 104 THR HA H 1 4.624 0.030 . 1 . . . . 104 THR HA . 10242 1 1198 . 1 1 104 104 THR HB H 1 4.206 0.030 . 1 . . . . 104 THR HB . 10242 1 1199 . 1 1 104 104 THR HG21 H 1 1.238 0.030 . 1 . . . . 104 THR HG2 . 10242 1 1200 . 1 1 104 104 THR HG22 H 1 1.238 0.030 . 1 . . . . 104 THR HG2 . 10242 1 1201 . 1 1 104 104 THR HG23 H 1 1.238 0.030 . 1 . . . . 104 THR HG2 . 10242 1 1202 . 1 1 104 104 THR C C 13 172.954 0.300 . 1 . . . . 104 THR C . 10242 1 1203 . 1 1 104 104 THR CA C 13 59.483 0.300 . 1 . . . . 104 THR CA . 10242 1 1204 . 1 1 104 104 THR CB C 13 69.761 0.300 . 1 . . . . 104 THR CB . 10242 1 1205 . 1 1 104 104 THR CG2 C 13 21.610 0.300 . 1 . . . . 104 THR CG2 . 10242 1 1206 . 1 1 104 104 THR N N 15 117.263 0.300 . 1 . . . . 104 THR N . 10242 1 1207 . 1 1 105 105 PRO HA H 1 4.399 0.030 . 1 . . . . 105 PRO HA . 10242 1 1208 . 1 1 105 105 PRO HB2 H 1 2.298 0.030 . 2 . . . . 105 PRO HB2 . 10242 1 1209 . 1 1 105 105 PRO HB3 H 1 1.911 0.030 . 2 . . . . 105 PRO HB3 . 10242 1 1210 . 1 1 105 105 PRO HD2 H 1 3.823 0.030 . 2 . . . . 105 PRO HD2 . 10242 1 1211 . 1 1 105 105 PRO HD3 H 1 3.736 0.030 . 2 . . . . 105 PRO HD3 . 10242 1 1212 . 1 1 105 105 PRO HG2 H 1 2.042 0.030 . 2 . . . . 105 PRO HG2 . 10242 1 1213 . 1 1 105 105 PRO CA C 13 63.495 0.300 . 1 . . . . 105 PRO CA . 10242 1 1214 . 1 1 105 105 PRO CB C 13 32.096 0.300 . 1 . . . . 105 PRO CB . 10242 1 1215 . 1 1 105 105 PRO CD C 13 51.028 0.300 . 1 . . . . 105 PRO CD . 10242 1 1216 . 1 1 105 105 PRO CG C 13 27.246 0.300 . 1 . . . . 105 PRO CG . 10242 1 1217 . 1 1 106 106 GLU H H 1 8.519 0.030 . 1 . . . . 106 GLU H . 10242 1 1218 . 1 1 106 106 GLU HA H 1 4.197 0.030 . 1 . . . . 106 GLU HA . 10242 1 1219 . 1 1 106 106 GLU HB2 H 1 1.974 0.030 . 2 . . . . 106 GLU HB2 . 10242 1 1220 . 1 1 106 106 GLU HG2 H 1 2.283 0.030 . 2 . . . . 106 GLU HG2 . 10242 1 1221 . 1 1 106 106 GLU C C 13 176.110 0.300 . 1 . . . . 106 GLU C . 10242 1 1222 . 1 1 106 106 GLU CA C 13 56.743 0.300 . 1 . . . . 106 GLU CA . 10242 1 1223 . 1 1 106 106 GLU CB C 13 30.137 0.300 . 1 . . . . 106 GLU CB . 10242 1 1224 . 1 1 106 106 GLU CG C 13 36.205 0.300 . 1 . . . . 106 GLU CG . 10242 1 1225 . 1 1 106 106 GLU N N 15 120.609 0.300 . 1 . . . . 106 GLU N . 10242 1 1226 . 1 1 107 107 ALA H H 1 8.241 0.030 . 1 . . . . 107 ALA H . 10242 1 1227 . 1 1 107 107 ALA HA H 1 4.317 0.030 . 1 . . . . 107 ALA HA . 10242 1 1228 . 1 1 107 107 ALA HB1 H 1 1.375 0.030 . 1 . . . . 107 ALA HB . 10242 1 1229 . 1 1 107 107 ALA HB2 H 1 1.375 0.030 . 1 . . . . 107 ALA HB . 10242 1 1230 . 1 1 107 107 ALA HB3 H 1 1.375 0.030 . 1 . . . . 107 ALA HB . 10242 1 1231 . 1 1 107 107 ALA C C 13 177.299 0.300 . 1 . . . . 107 ALA C . 10242 1 1232 . 1 1 107 107 ALA CA C 13 52.203 0.300 . 1 . . . . 107 ALA CA . 10242 1 1233 . 1 1 107 107 ALA CB C 13 19.392 0.300 . 1 . . . . 107 ALA CB . 10242 1 1234 . 1 1 107 107 ALA N N 15 124.849 0.300 . 1 . . . . 107 ALA N . 10242 1 1235 . 1 1 108 108 MET H H 1 8.284 0.030 . 1 . . . . 108 MET H . 10242 1 1236 . 1 1 108 108 MET HA H 1 4.792 0.030 . 1 . . . . 108 MET HA . 10242 1 1237 . 1 1 108 108 MET HB2 H 1 2.099 0.030 . 2 . . . . 108 MET HB2 . 10242 1 1238 . 1 1 108 108 MET HB3 H 1 1.960 0.030 . 2 . . . . 108 MET HB3 . 10242 1 1239 . 1 1 108 108 MET HE1 H 1 2.114 0.030 . 1 . . . . 108 MET HE . 10242 1 1240 . 1 1 108 108 MET HE2 H 1 2.114 0.030 . 1 . . . . 108 MET HE . 10242 1 1241 . 1 1 108 108 MET HE3 H 1 2.114 0.030 . 1 . . . . 108 MET HE . 10242 1 1242 . 1 1 108 108 MET HG2 H 1 2.671 0.030 . 2 . . . . 108 MET HG2 . 10242 1 1243 . 1 1 108 108 MET HG3 H 1 2.578 0.030 . 2 . . . . 108 MET HG3 . 10242 1 1244 . 1 1 108 108 MET C C 13 174.337 0.300 . 1 . . . . 108 MET C . 10242 1 1245 . 1 1 108 108 MET CA C 13 53.258 0.300 . 1 . . . . 108 MET CA . 10242 1 1246 . 1 1 108 108 MET CB C 13 32.608 0.300 . 1 . . . . 108 MET CB . 10242 1 1247 . 1 1 108 108 MET CE C 13 17.187 0.300 . 1 . . . . 108 MET CE . 10242 1 1248 . 1 1 108 108 MET CG C 13 38.102 0.300 . 1 . . . . 108 MET CG . 10242 1 1249 . 1 1 108 108 MET N N 15 121.025 0.300 . 1 . . . . 108 MET N . 10242 1 1250 . 1 1 109 109 PRO HA H 1 4.408 0.030 . 1 . . . . 109 PRO HA . 10242 1 1251 . 1 1 109 109 PRO HB2 H 1 2.275 0.030 . 2 . . . . 109 PRO HB2 . 10242 1 1252 . 1 1 109 109 PRO HB3 H 1 1.868 0.030 . 2 . . . . 109 PRO HB3 . 10242 1 1253 . 1 1 109 109 PRO HD2 H 1 3.803 0.030 . 2 . . . . 109 PRO HD2 . 10242 1 1254 . 1 1 109 109 PRO HD3 H 1 3.693 0.030 . 2 . . . . 109 PRO HD3 . 10242 1 1255 . 1 1 109 109 PRO HG2 H 1 2.000 0.030 . 2 . . . . 109 PRO HG2 . 10242 1 1256 . 1 1 109 109 PRO C C 13 176.412 0.300 . 1 . . . . 109 PRO C . 10242 1 1257 . 1 1 109 109 PRO CA C 13 63.290 0.300 . 1 . . . . 109 PRO CA . 10242 1 1258 . 1 1 109 109 PRO CB C 13 32.077 0.300 . 1 . . . . 109 PRO CB . 10242 1 1259 . 1 1 109 109 PRO CD C 13 50.695 0.300 . 1 . . . . 109 PRO CD . 10242 1 1260 . 1 1 109 109 PRO CG C 13 27.382 0.300 . 1 . . . . 109 PRO CG . 10242 1 1261 . 1 1 110 110 ASP H H 1 8.417 0.030 . 1 . . . . 110 ASP H . 10242 1 1262 . 1 1 110 110 ASP HA H 1 4.573 0.030 . 1 . . . . 110 ASP HA . 10242 1 1263 . 1 1 110 110 ASP HB2 H 1 2.736 0.030 . 2 . . . . 110 ASP HB2 . 10242 1 1264 . 1 1 110 110 ASP HB3 H 1 2.593 0.030 . 2 . . . . 110 ASP HB3 . 10242 1 1265 . 1 1 110 110 ASP C C 13 176.508 0.300 . 1 . . . . 110 ASP C . 10242 1 1266 . 1 1 110 110 ASP CA C 13 54.085 0.300 . 1 . . . . 110 ASP CA . 10242 1 1267 . 1 1 110 110 ASP CB C 13 41.075 0.300 . 1 . . . . 110 ASP CB . 10242 1 1268 . 1 1 110 110 ASP N N 15 120.239 0.300 . 1 . . . . 110 ASP N . 10242 1 1269 . 1 1 111 111 LEU H H 1 8.279 0.030 . 1 . . . . 111 LEU H . 10242 1 1270 . 1 1 111 111 LEU HA H 1 4.319 0.030 . 1 . . . . 111 LEU HA . 10242 1 1271 . 1 1 111 111 LEU HB2 H 1 1.642 0.030 . 2 . . . . 111 LEU HB2 . 10242 1 1272 . 1 1 111 111 LEU HB3 H 1 1.585 0.030 . 2 . . . . 111 LEU HB3 . 10242 1 1273 . 1 1 111 111 LEU HD11 H 1 0.901 0.030 . 1 . . . . 111 LEU HD1 . 10242 1 1274 . 1 1 111 111 LEU HD12 H 1 0.901 0.030 . 1 . . . . 111 LEU HD1 . 10242 1 1275 . 1 1 111 111 LEU HD13 H 1 0.901 0.030 . 1 . . . . 111 LEU HD1 . 10242 1 1276 . 1 1 111 111 LEU HD21 H 1 0.839 0.030 . 1 . . . . 111 LEU HD2 . 10242 1 1277 . 1 1 111 111 LEU HD22 H 1 0.839 0.030 . 1 . . . . 111 LEU HD2 . 10242 1 1278 . 1 1 111 111 LEU HD23 H 1 0.839 0.030 . 1 . . . . 111 LEU HD2 . 10242 1 1279 . 1 1 111 111 LEU HG H 1 1.627 0.030 . 1 . . . . 111 LEU HG . 10242 1 1280 . 1 1 111 111 LEU C C 13 177.551 0.300 . 1 . . . . 111 LEU C . 10242 1 1281 . 1 1 111 111 LEU CA C 13 55.581 0.300 . 1 . . . . 111 LEU CA . 10242 1 1282 . 1 1 111 111 LEU CB C 13 42.360 0.300 . 1 . . . . 111 LEU CB . 10242 1 1283 . 1 1 111 111 LEU CD1 C 13 25.109 0.300 . 2 . . . . 111 LEU CD1 . 10242 1 1284 . 1 1 111 111 LEU CD2 C 13 23.371 0.300 . 2 . . . . 111 LEU CD2 . 10242 1 1285 . 1 1 111 111 LEU CG C 13 27.052 0.300 . 1 . . . . 111 LEU CG . 10242 1 1286 . 1 1 111 111 LEU N N 15 123.318 0.300 . 1 . . . . 111 LEU N . 10242 1 1287 . 1 1 112 112 ASN H H 1 8.487 0.030 . 1 . . . . 112 ASN H . 10242 1 1288 . 1 1 112 112 ASN HA H 1 4.725 0.030 . 1 . . . . 112 ASN HA . 10242 1 1289 . 1 1 112 112 ASN HB2 H 1 2.860 0.030 . 2 . . . . 112 ASN HB2 . 10242 1 1290 . 1 1 112 112 ASN HB3 H 1 2.767 0.030 . 2 . . . . 112 ASN HB3 . 10242 1 1291 . 1 1 112 112 ASN HD21 H 1 7.622 0.030 . 2 . . . . 112 ASN HD21 . 10242 1 1292 . 1 1 112 112 ASN HD22 H 1 6.942 0.030 . 2 . . . . 112 ASN HD22 . 10242 1 1293 . 1 1 112 112 ASN C C 13 175.454 0.300 . 1 . . . . 112 ASN C . 10242 1 1294 . 1 1 112 112 ASN CA C 13 53.610 0.300 . 1 . . . . 112 ASN CA . 10242 1 1295 . 1 1 112 112 ASN CB C 13 39.116 0.300 . 1 . . . . 112 ASN CB . 10242 1 1296 . 1 1 112 112 ASN N N 15 118.752 0.300 . 1 . . . . 112 ASN N . 10242 1 1297 . 1 1 112 112 ASN ND2 N 15 112.800 0.300 . 1 . . . . 112 ASN ND2 . 10242 1 1298 . 1 1 115 115 GLY H H 1 8.205 0.030 . 1 . . . . 115 GLY H . 10242 1 1299 . 1 1 115 115 GLY HA2 H 1 4.126 0.030 . 1 . . . . 115 GLY HA2 . 10242 1 1300 . 1 1 115 115 GLY HA3 H 1 4.126 0.030 . 1 . . . . 115 GLY HA3 . 10242 1 1301 . 1 1 115 115 GLY CA C 13 44.727 0.300 . 1 . . . . 115 GLY CA . 10242 1 1302 . 1 1 116 116 PRO HA H 1 4.485 0.030 . 1 . . . . 116 PRO HA . 10242 1 1303 . 1 1 116 116 PRO HB2 H 1 2.297 0.030 . 2 . . . . 116 PRO HB2 . 10242 1 1304 . 1 1 116 116 PRO HB3 H 1 1.978 0.030 . 2 . . . . 116 PRO HB3 . 10242 1 1305 . 1 1 116 116 PRO HD2 H 1 3.633 0.030 . 1 . . . . 116 PRO HD2 . 10242 1 1306 . 1 1 116 116 PRO HD3 H 1 3.633 0.030 . 1 . . . . 116 PRO HD3 . 10242 1 1307 . 1 1 116 116 PRO HG2 H 1 2.011 0.030 . 1 . . . . 116 PRO HG2 . 10242 1 1308 . 1 1 116 116 PRO HG3 H 1 2.011 0.030 . 1 . . . . 116 PRO HG3 . 10242 1 1309 . 1 1 116 116 PRO CA C 13 63.298 0.300 . 1 . . . . 116 PRO CA . 10242 1 1310 . 1 1 116 116 PRO CB C 13 32.077 0.300 . 1 . . . . 116 PRO CB . 10242 1 1311 . 1 1 116 116 PRO CD C 13 49.840 0.300 . 1 . . . . 116 PRO CD . 10242 1 1312 . 1 1 116 116 PRO CG C 13 27.135 0.300 . 1 . . . . 116 PRO CG . 10242 1 1313 . 1 1 117 117 SER H H 1 8.532 0.030 . 1 . . . . 117 SER H . 10242 1 1314 . 1 1 117 117 SER N N 15 116.464 0.300 . 1 . . . . 117 SER N . 10242 1 stop_ save_