data_11288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11288 _Entry.Title ; Solution structure of the fibronectin type-III domain of human fibronectin type-III domain containing protein 3a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11288 2 N. Tochio . . . 11288 3 S. Koshiba . . . 11288 4 M. Inoue . . . 11288 5 T. Kigawa . . . 11288 6 S. Yokoyama . . . 11288 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 11288 '15N chemical shifts' 115 11288 '1H chemical shifts' 728 11288 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X3D 'BMRB Entry Tracking System' 11288 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the fibronectin type-III domain of human fibronectin type-III domain containing protein 3a ; _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. Yoneyama . . . 11288 1 2 N. Tochio . . . 11288 1 3 S. Koshiba . . . 11288 1 4 M. Inoue . . . 11288 1 5 T. Kigawa . . . 11288 1 6 S. Yokoyama . . . 11288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11288 _Assembly.ID 1 _Assembly.Name 'Fibronectin type-III domain containing protein 3a' _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 'Fibronectin type-III domain' 1 $entity_1 A . yes native no no . . . 11288 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x3d . . . . . . 11288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type-III domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAEIFTTLSCEPDI PNPPRIANRTKNSLTLQWKA PSDNGSKIQNFVLEWDEGKG NGEFCQCYMGSQKQFKITKL SPAMGCKFRLSARNDYGTSG FSEEVLYYTSGCSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1X3D . "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Fibronectin Type-Iii Domain Containing Protein 3a" . . . . . 100.00 118 100.00 100.00 4.23e-80 . . . . 11288 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type-III domain' . 11288 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 . 11288 1 2 . SER . 11288 1 3 . SER . 11288 1 4 . GLY . 11288 1 5 . SER . 11288 1 6 . SER . 11288 1 7 . GLY . 11288 1 8 . ALA . 11288 1 9 . GLU . 11288 1 10 . ILE . 11288 1 11 . PHE . 11288 1 12 . THR . 11288 1 13 . THR . 11288 1 14 . LEU . 11288 1 15 . SER . 11288 1 16 . CYS . 11288 1 17 . GLU . 11288 1 18 . PRO . 11288 1 19 . ASP . 11288 1 20 . ILE . 11288 1 21 . PRO . 11288 1 22 . ASN . 11288 1 23 . PRO . 11288 1 24 . PRO . 11288 1 25 . ARG . 11288 1 26 . ILE . 11288 1 27 . ALA . 11288 1 28 . ASN . 11288 1 29 . ARG . 11288 1 30 . THR . 11288 1 31 . LYS . 11288 1 32 . ASN . 11288 1 33 . SER . 11288 1 34 . LEU . 11288 1 35 . THR . 11288 1 36 . LEU . 11288 1 37 . GLN . 11288 1 38 . TRP . 11288 1 39 . LYS . 11288 1 40 . ALA . 11288 1 41 . PRO . 11288 1 42 . SER . 11288 1 43 . ASP . 11288 1 44 . ASN . 11288 1 45 . GLY . 11288 1 46 . SER . 11288 1 47 . LYS . 11288 1 48 . ILE . 11288 1 49 . GLN . 11288 1 50 . ASN . 11288 1 51 . PHE . 11288 1 52 . VAL . 11288 1 53 . LEU . 11288 1 54 . GLU . 11288 1 55 . TRP . 11288 1 56 . ASP . 11288 1 57 . GLU . 11288 1 58 . GLY . 11288 1 59 . LYS . 11288 1 60 . GLY . 11288 1 61 . ASN . 11288 1 62 . GLY . 11288 1 63 . GLU . 11288 1 64 . PHE . 11288 1 65 . CYS . 11288 1 66 . GLN . 11288 1 67 . CYS . 11288 1 68 . TYR . 11288 1 69 . MET . 11288 1 70 . GLY . 11288 1 71 . SER . 11288 1 72 . GLN . 11288 1 73 . LYS . 11288 1 74 . GLN . 11288 1 75 . PHE . 11288 1 76 . LYS . 11288 1 77 . ILE . 11288 1 78 . THR . 11288 1 79 . LYS . 11288 1 80 . LEU . 11288 1 81 . SER . 11288 1 82 . PRO . 11288 1 83 . ALA . 11288 1 84 . MET . 11288 1 85 . GLY . 11288 1 86 . CYS . 11288 1 87 . LYS . 11288 1 88 . PHE . 11288 1 89 . ARG . 11288 1 90 . LEU . 11288 1 91 . SER . 11288 1 92 . ALA . 11288 1 93 . ARG . 11288 1 94 . ASN . 11288 1 95 . ASP . 11288 1 96 . TYR . 11288 1 97 . GLY . 11288 1 98 . THR . 11288 1 99 . SER . 11288 1 100 . GLY . 11288 1 101 . PHE . 11288 1 102 . SER . 11288 1 103 . GLU . 11288 1 104 . GLU . 11288 1 105 . VAL . 11288 1 106 . LEU . 11288 1 107 . TYR . 11288 1 108 . TYR . 11288 1 109 . THR . 11288 1 110 . SER . 11288 1 111 . GLY . 11288 1 112 . CYS . 11288 1 113 . SER . 11288 1 114 . GLY . 11288 1 115 . PRO . 11288 1 116 . SER . 11288 1 117 . SER . 11288 1 118 . GLY . 11288 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 11288 1 . SER 2 2 11288 1 . SER 3 3 11288 1 . GLY 4 4 11288 1 . SER 5 5 11288 1 . SER 6 6 11288 1 . GLY 7 7 11288 1 . ALA 8 8 11288 1 . GLU 9 9 11288 1 . ILE 10 10 11288 1 . PHE 11 11 11288 1 . THR 12 12 11288 1 . THR 13 13 11288 1 . LEU 14 14 11288 1 . SER 15 15 11288 1 . CYS 16 16 11288 1 . GLU 17 17 11288 1 . PRO 18 18 11288 1 . ASP 19 19 11288 1 . ILE 20 20 11288 1 . PRO 21 21 11288 1 . ASN 22 22 11288 1 . PRO 23 23 11288 1 . PRO 24 24 11288 1 . ARG 25 25 11288 1 . ILE 26 26 11288 1 . ALA 27 27 11288 1 . ASN 28 28 11288 1 . ARG 29 29 11288 1 . THR 30 30 11288 1 . LYS 31 31 11288 1 . ASN 32 32 11288 1 . SER 33 33 11288 1 . LEU 34 34 11288 1 . THR 35 35 11288 1 . LEU 36 36 11288 1 . GLN 37 37 11288 1 . TRP 38 38 11288 1 . LYS 39 39 11288 1 . ALA 40 40 11288 1 . PRO 41 41 11288 1 . SER 42 42 11288 1 . ASP 43 43 11288 1 . ASN 44 44 11288 1 . GLY 45 45 11288 1 . SER 46 46 11288 1 . LYS 47 47 11288 1 . ILE 48 48 11288 1 . GLN 49 49 11288 1 . ASN 50 50 11288 1 . PHE 51 51 11288 1 . VAL 52 52 11288 1 . LEU 53 53 11288 1 . GLU 54 54 11288 1 . TRP 55 55 11288 1 . ASP 56 56 11288 1 . GLU 57 57 11288 1 . GLY 58 58 11288 1 . LYS 59 59 11288 1 . GLY 60 60 11288 1 . ASN 61 61 11288 1 . GLY 62 62 11288 1 . GLU 63 63 11288 1 . PHE 64 64 11288 1 . CYS 65 65 11288 1 . GLN 66 66 11288 1 . CYS 67 67 11288 1 . TYR 68 68 11288 1 . MET 69 69 11288 1 . GLY 70 70 11288 1 . SER 71 71 11288 1 . GLN 72 72 11288 1 . LYS 73 73 11288 1 . GLN 74 74 11288 1 . PHE 75 75 11288 1 . LYS 76 76 11288 1 . ILE 77 77 11288 1 . THR 78 78 11288 1 . LYS 79 79 11288 1 . LEU 80 80 11288 1 . SER 81 81 11288 1 . PRO 82 82 11288 1 . ALA 83 83 11288 1 . MET 84 84 11288 1 . GLY 85 85 11288 1 . CYS 86 86 11288 1 . LYS 87 87 11288 1 . PHE 88 88 11288 1 . ARG 89 89 11288 1 . LEU 90 90 11288 1 . SER 91 91 11288 1 . ALA 92 92 11288 1 . ARG 93 93 11288 1 . ASN 94 94 11288 1 . ASP 95 95 11288 1 . TYR 96 96 11288 1 . GLY 97 97 11288 1 . THR 98 98 11288 1 . SER 99 99 11288 1 . GLY 100 100 11288 1 . PHE 101 101 11288 1 . SER 102 102 11288 1 . GLU 103 103 11288 1 . GLU 104 104 11288 1 . VAL 105 105 11288 1 . LEU 106 106 11288 1 . TYR 107 107 11288 1 . TYR 108 108 11288 1 . THR 109 109 11288 1 . SER 110 110 11288 1 . GLY 111 111 11288 1 . CYS 112 112 11288 1 . SER 113 113 11288 1 . GLY 114 114 11288 1 . PRO 115 115 11288 1 . SER 116 116 11288 1 . SER 117 117 11288 1 . GLY 118 118 11288 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 11288 _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 . . . . . . . . . . . . . . . . . . . . . 11288 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 11288 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040628-01 . . . . . . 11288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11288 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.16mM fn3 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 5mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.16 . . mM . . . . 11288 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11288 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11288 1 4 d-DTT 'natural abundance' . . . . . salt 5 . . mM . . . . 11288 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11288 1 6 H2O . . . . . . solvent 90 . . % . . . . 11288 1 7 D2O . . . . . . solvent 10 . . % . . . . 11288 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 11288 _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 11288 1 pH 7.0 0.05 pH 11288 1 pressure 1 0.001 atm 11288 1 temperature 296 0.1 K 11288 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11288 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11288 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11288 _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.' . . 11288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11288 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11288 _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.' . . 11288 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11288 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11288 _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.' . . 11288 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11288 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11288 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11288 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11288 5 'structure solution' 11288 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 11288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11288 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11288 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 11288 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11288 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11288 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 11288 _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 . . . . . . . . . 11288 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11288 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11288 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 11288 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11288 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11288 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11288 1 2 $NMRPipe . . 11288 1 3 $NMRview . . 11288 1 4 $Kujira . . 11288 1 5 $CYANA . . 11288 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 6 6 SER HA H 1 4.495 0.030 . 1 . . . . 6 SER HA . 11288 1 2 . 1 1 6 6 SER HB2 H 1 3.912 0.030 . 1 . . . . 6 SER HB2 . 11288 1 3 . 1 1 6 6 SER HB3 H 1 3.912 0.030 . 1 . . . . 6 SER HB3 . 11288 1 4 . 1 1 6 6 SER C C 13 175.124 0.300 . 1 . . . . 6 SER C . 11288 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 11288 1 6 . 1 1 6 6 SER CB C 13 63.732 0.300 . 1 . . . . 6 SER CB . 11288 1 7 . 1 1 7 7 GLY H H 1 8.461 0.030 . 1 . . . . 7 GLY H . 11288 1 8 . 1 1 7 7 GLY HA2 H 1 3.978 0.030 . 1 . . . . 7 GLY HA2 . 11288 1 9 . 1 1 7 7 GLY HA3 H 1 3.978 0.030 . 1 . . . . 7 GLY HA3 . 11288 1 10 . 1 1 7 7 GLY C C 13 173.861 0.300 . 1 . . . . 7 GLY C . 11288 1 11 . 1 1 7 7 GLY CA C 13 45.402 0.300 . 1 . . . . 7 GLY CA . 11288 1 12 . 1 1 7 7 GLY N N 15 111.128 0.300 . 1 . . . . 7 GLY N . 11288 1 13 . 1 1 8 8 ALA H H 1 8.119 0.030 . 1 . . . . 8 ALA H . 11288 1 14 . 1 1 8 8 ALA HA H 1 4.322 0.030 . 1 . . . . 8 ALA HA . 11288 1 15 . 1 1 8 8 ALA HB1 H 1 1.377 0.030 . 1 . . . . 8 ALA HB . 11288 1 16 . 1 1 8 8 ALA HB2 H 1 1.377 0.030 . 1 . . . . 8 ALA HB . 11288 1 17 . 1 1 8 8 ALA HB3 H 1 1.377 0.030 . 1 . . . . 8 ALA HB . 11288 1 18 . 1 1 8 8 ALA C C 13 177.662 0.300 . 1 . . . . 8 ALA C . 11288 1 19 . 1 1 8 8 ALA CA C 13 52.483 0.300 . 1 . . . . 8 ALA CA . 11288 1 20 . 1 1 8 8 ALA CB C 13 19.391 0.300 . 1 . . . . 8 ALA CB . 11288 1 21 . 1 1 8 8 ALA N N 15 123.575 0.300 . 1 . . . . 8 ALA N . 11288 1 22 . 1 1 9 9 GLU H H 1 8.422 0.030 . 1 . . . . 9 GLU H . 11288 1 23 . 1 1 9 9 GLU HA H 1 4.217 0.030 . 1 . . . . 9 GLU HA . 11288 1 24 . 1 1 9 9 GLU HB2 H 1 1.892 0.030 . 1 . . . . 9 GLU HB2 . 11288 1 25 . 1 1 9 9 GLU HB3 H 1 1.892 0.030 . 1 . . . . 9 GLU HB3 . 11288 1 26 . 1 1 9 9 GLU HG2 H 1 2.216 0.030 . 2 . . . . 9 GLU HG2 . 11288 1 27 . 1 1 9 9 GLU HG3 H 1 2.154 0.030 . 2 . . . . 9 GLU HG3 . 11288 1 28 . 1 1 9 9 GLU C C 13 176.144 0.300 . 1 . . . . 9 GLU C . 11288 1 29 . 1 1 9 9 GLU CA C 13 56.685 0.300 . 1 . . . . 9 GLU CA . 11288 1 30 . 1 1 9 9 GLU CB C 13 30.112 0.300 . 1 . . . . 9 GLU CB . 11288 1 31 . 1 1 9 9 GLU CG C 13 36.287 0.300 . 1 . . . . 9 GLU CG . 11288 1 32 . 1 1 9 9 GLU N N 15 120.253 0.300 . 1 . . . . 9 GLU N . 11288 1 33 . 1 1 10 10 ILE H H 1 8.014 0.030 . 1 . . . . 10 ILE H . 11288 1 34 . 1 1 10 10 ILE HA H 1 4.115 0.030 . 1 . . . . 10 ILE HA . 11288 1 35 . 1 1 10 10 ILE HB H 1 1.764 0.030 . 1 . . . . 10 ILE HB . 11288 1 36 . 1 1 10 10 ILE HD11 H 1 0.804 0.030 . 1 . . . . 10 ILE HD1 . 11288 1 37 . 1 1 10 10 ILE HD12 H 1 0.804 0.030 . 1 . . . . 10 ILE HD1 . 11288 1 38 . 1 1 10 10 ILE HD13 H 1 0.804 0.030 . 1 . . . . 10 ILE HD1 . 11288 1 39 . 1 1 10 10 ILE HG12 H 1 1.349 0.030 . 2 . . . . 10 ILE HG12 . 11288 1 40 . 1 1 10 10 ILE HG13 H 1 1.093 0.030 . 2 . . . . 10 ILE HG13 . 11288 1 41 . 1 1 10 10 ILE HG21 H 1 0.792 0.030 . 1 . . . . 10 ILE HG2 . 11288 1 42 . 1 1 10 10 ILE HG22 H 1 0.792 0.030 . 1 . . . . 10 ILE HG2 . 11288 1 43 . 1 1 10 10 ILE HG23 H 1 0.792 0.030 . 1 . . . . 10 ILE HG2 . 11288 1 44 . 1 1 10 10 ILE C C 13 175.841 0.300 . 1 . . . . 10 ILE C . 11288 1 45 . 1 1 10 10 ILE CA C 13 60.897 0.300 . 1 . . . . 10 ILE CA . 11288 1 46 . 1 1 10 10 ILE CB C 13 38.834 0.300 . 1 . . . . 10 ILE CB . 11288 1 47 . 1 1 10 10 ILE CD1 C 13 12.848 0.300 . 1 . . . . 10 ILE CD1 . 11288 1 48 . 1 1 10 10 ILE CG1 C 13 27.061 0.300 . 1 . . . . 10 ILE CG1 . 11288 1 49 . 1 1 10 10 ILE CG2 C 13 17.448 0.300 . 1 . . . . 10 ILE CG2 . 11288 1 50 . 1 1 10 10 ILE N N 15 121.447 0.300 . 1 . . . . 10 ILE N . 11288 1 51 . 1 1 11 11 PHE H H 1 8.308 0.030 . 1 . . . . 11 PHE H . 11288 1 52 . 1 1 11 11 PHE HA H 1 4.737 0.030 . 1 . . . . 11 PHE HA . 11288 1 53 . 1 1 11 11 PHE HB2 H 1 3.173 0.030 . 2 . . . . 11 PHE HB2 . 11288 1 54 . 1 1 11 11 PHE HB3 H 1 3.000 0.030 . 2 . . . . 11 PHE HB3 . 11288 1 55 . 1 1 11 11 PHE HD1 H 1 7.247 0.030 . 1 . . . . 11 PHE HD1 . 11288 1 56 . 1 1 11 11 PHE HD2 H 1 7.247 0.030 . 1 . . . . 11 PHE HD2 . 11288 1 57 . 1 1 11 11 PHE HE1 H 1 7.279 0.030 . 1 . . . . 11 PHE HE1 . 11288 1 58 . 1 1 11 11 PHE HE2 H 1 7.279 0.030 . 1 . . . . 11 PHE HE2 . 11288 1 59 . 1 1 11 11 PHE C C 13 175.695 0.300 . 1 . . . . 11 PHE C . 11288 1 60 . 1 1 11 11 PHE CA C 13 57.483 0.300 . 1 . . . . 11 PHE CA . 11288 1 61 . 1 1 11 11 PHE CB C 13 39.742 0.300 . 1 . . . . 11 PHE CB . 11288 1 62 . 1 1 11 11 PHE CD1 C 13 131.769 0.300 . 1 . . . . 11 PHE CD1 . 11288 1 63 . 1 1 11 11 PHE CD2 C 13 131.769 0.300 . 1 . . . . 11 PHE CD2 . 11288 1 64 . 1 1 11 11 PHE CE1 C 13 129.838 0.300 . 1 . . . . 11 PHE CE1 . 11288 1 65 . 1 1 11 11 PHE CE2 C 13 129.838 0.300 . 1 . . . . 11 PHE CE2 . 11288 1 66 . 1 1 11 11 PHE N N 15 124.426 0.300 . 1 . . . . 11 PHE N . 11288 1 67 . 1 1 12 12 THR H H 1 8.121 0.030 . 1 . . . . 12 THR H . 11288 1 68 . 1 1 12 12 THR HA H 1 4.384 0.030 . 1 . . . . 12 THR HA . 11288 1 69 . 1 1 12 12 THR HB H 1 4.160 0.030 . 1 . . . . 12 THR HB . 11288 1 70 . 1 1 12 12 THR HG21 H 1 1.166 0.030 . 1 . . . . 12 THR HG2 . 11288 1 71 . 1 1 12 12 THR HG22 H 1 1.166 0.030 . 1 . . . . 12 THR HG2 . 11288 1 72 . 1 1 12 12 THR HG23 H 1 1.166 0.030 . 1 . . . . 12 THR HG2 . 11288 1 73 . 1 1 12 12 THR C C 13 174.104 0.300 . 1 . . . . 12 THR C . 11288 1 74 . 1 1 12 12 THR CA C 13 61.639 0.300 . 1 . . . . 12 THR CA . 11288 1 75 . 1 1 12 12 THR CB C 13 70.027 0.300 . 1 . . . . 12 THR CB . 11288 1 76 . 1 1 12 12 THR CG2 C 13 21.459 0.300 . 1 . . . . 12 THR CG2 . 11288 1 77 . 1 1 12 12 THR N N 15 116.519 0.300 . 1 . . . . 12 THR N . 11288 1 78 . 1 1 13 13 THR H H 1 8.128 0.030 . 1 . . . . 13 THR H . 11288 1 79 . 1 1 13 13 THR HA H 1 4.320 0.030 . 1 . . . . 13 THR HA . 11288 1 80 . 1 1 13 13 THR HB H 1 4.168 0.030 . 1 . . . . 13 THR HB . 11288 1 81 . 1 1 13 13 THR HG21 H 1 1.187 0.030 . 1 . . . . 13 THR HG2 . 11288 1 82 . 1 1 13 13 THR HG22 H 1 1.187 0.030 . 1 . . . . 13 THR HG2 . 11288 1 83 . 1 1 13 13 THR HG23 H 1 1.187 0.030 . 1 . . . . 13 THR HG2 . 11288 1 84 . 1 1 13 13 THR C C 13 174.104 0.300 . 1 . . . . 13 THR C . 11288 1 85 . 1 1 13 13 THR CA C 13 61.667 0.300 . 1 . . . . 13 THR CA . 11288 1 86 . 1 1 13 13 THR CB C 13 69.885 0.300 . 1 . . . . 13 THR CB . 11288 1 87 . 1 1 13 13 THR CG2 C 13 21.592 0.300 . 1 . . . . 13 THR CG2 . 11288 1 88 . 1 1 13 13 THR N N 15 116.865 0.300 . 1 . . . . 13 THR N . 11288 1 89 . 1 1 14 14 LEU H H 1 8.234 0.030 . 1 . . . . 14 LEU H . 11288 1 90 . 1 1 14 14 LEU HA H 1 4.332 0.030 . 1 . . . . 14 LEU HA . 11288 1 91 . 1 1 14 14 LEU HB2 H 1 1.566 0.030 . 1 . . . . 14 LEU HB2 . 11288 1 92 . 1 1 14 14 LEU HB3 H 1 1.566 0.030 . 1 . . . . 14 LEU HB3 . 11288 1 93 . 1 1 14 14 LEU HD11 H 1 0.884 0.030 . 1 . . . . 14 LEU HD1 . 11288 1 94 . 1 1 14 14 LEU HD12 H 1 0.884 0.030 . 1 . . . . 14 LEU HD1 . 11288 1 95 . 1 1 14 14 LEU HD13 H 1 0.884 0.030 . 1 . . . . 14 LEU HD1 . 11288 1 96 . 1 1 14 14 LEU HD21 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 11288 1 97 . 1 1 14 14 LEU HD22 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 11288 1 98 . 1 1 14 14 LEU HD23 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 11288 1 99 . 1 1 14 14 LEU HG H 1 1.544 0.030 . 1 . . . . 14 LEU HG . 11288 1 100 . 1 1 14 14 LEU C C 13 176.873 0.300 . 1 . . . . 14 LEU C . 11288 1 101 . 1 1 14 14 LEU CA C 13 55.115 0.300 . 1 . . . . 14 LEU CA . 11288 1 102 . 1 1 14 14 LEU CB C 13 42.683 0.300 . 1 . . . . 14 LEU CB . 11288 1 103 . 1 1 14 14 LEU CD1 C 13 24.904 0.300 . 2 . . . . 14 LEU CD1 . 11288 1 104 . 1 1 14 14 LEU CD2 C 13 23.541 0.300 . 2 . . . . 14 LEU CD2 . 11288 1 105 . 1 1 14 14 LEU CG C 13 27.046 0.300 . 1 . . . . 14 LEU CG . 11288 1 106 . 1 1 14 14 LEU N N 15 125.203 0.300 . 1 . . . . 14 LEU N . 11288 1 107 . 1 1 15 15 SER H H 1 8.086 0.030 . 1 . . . . 15 SER H . 11288 1 108 . 1 1 15 15 SER HA H 1 4.383 0.030 . 1 . . . . 15 SER HA . 11288 1 109 . 1 1 15 15 SER HB2 H 1 3.470 0.030 . 1 . . . . 15 SER HB2 . 11288 1 110 . 1 1 15 15 SER HB3 H 1 3.470 0.030 . 1 . . . . 15 SER HB3 . 11288 1 111 . 1 1 15 15 SER C C 13 172.866 0.300 . 1 . . . . 15 SER C . 11288 1 112 . 1 1 15 15 SER CA C 13 57.580 0.300 . 1 . . . . 15 SER CA . 11288 1 113 . 1 1 15 15 SER CB C 13 63.492 0.300 . 1 . . . . 15 SER CB . 11288 1 114 . 1 1 15 15 SER N N 15 117.920 0.300 . 1 . . . . 15 SER N . 11288 1 115 . 1 1 16 16 CYS H H 1 7.860 0.030 . 1 . . . . 16 CYS H . 11288 1 116 . 1 1 16 16 CYS HA H 1 4.218 0.030 . 1 . . . . 16 CYS HA . 11288 1 117 . 1 1 16 16 CYS HB2 H 1 2.755 0.030 . 2 . . . . 16 CYS HB2 . 11288 1 118 . 1 1 16 16 CYS HB3 H 1 2.665 0.030 . 2 . . . . 16 CYS HB3 . 11288 1 119 . 1 1 16 16 CYS C C 13 172.210 0.300 . 1 . . . . 16 CYS C . 11288 1 120 . 1 1 16 16 CYS CA C 13 57.128 0.300 . 1 . . . . 16 CYS CA . 11288 1 121 . 1 1 16 16 CYS CB C 13 28.910 0.300 . 1 . . . . 16 CYS CB . 11288 1 122 . 1 1 16 16 CYS N N 15 118.072 0.300 . 1 . . . . 16 CYS N . 11288 1 123 . 1 1 17 17 GLU H H 1 9.382 0.030 . 1 . . . . 17 GLU H . 11288 1 124 . 1 1 17 17 GLU HA H 1 4.647 0.030 . 1 . . . . 17 GLU HA . 11288 1 125 . 1 1 17 17 GLU HB2 H 1 1.699 0.030 . 2 . . . . 17 GLU HB2 . 11288 1 126 . 1 1 17 17 GLU HB3 H 1 1.642 0.030 . 2 . . . . 17 GLU HB3 . 11288 1 127 . 1 1 17 17 GLU HG2 H 1 2.302 0.030 . 2 . . . . 17 GLU HG2 . 11288 1 128 . 1 1 17 17 GLU HG3 H 1 2.141 0.030 . 2 . . . . 17 GLU HG3 . 11288 1 129 . 1 1 17 17 GLU C C 13 172.283 0.300 . 1 . . . . 17 GLU C . 11288 1 130 . 1 1 17 17 GLU CA C 13 55.801 0.300 . 1 . . . . 17 GLU CA . 11288 1 131 . 1 1 17 17 GLU CB C 13 25.979 0.300 . 1 . . . . 17 GLU CB . 11288 1 132 . 1 1 17 17 GLU CG C 13 35.222 0.300 . 1 . . . . 17 GLU CG . 11288 1 133 . 1 1 17 17 GLU N N 15 120.762 0.300 . 1 . . . . 17 GLU N . 11288 1 134 . 1 1 18 18 PRO HA H 1 4.312 0.030 . 1 . . . . 18 PRO HA . 11288 1 135 . 1 1 18 18 PRO HB2 H 1 2.247 0.030 . 2 . . . . 18 PRO HB2 . 11288 1 136 . 1 1 18 18 PRO HB3 H 1 1.791 0.030 . 2 . . . . 18 PRO HB3 . 11288 1 137 . 1 1 18 18 PRO HD2 H 1 3.825 0.030 . 2 . . . . 18 PRO HD2 . 11288 1 138 . 1 1 18 18 PRO HD3 H 1 3.158 0.030 . 2 . . . . 18 PRO HD3 . 11288 1 139 . 1 1 18 18 PRO HG2 H 1 1.641 0.030 . 2 . . . . 18 PRO HG2 . 11288 1 140 . 1 1 18 18 PRO HG3 H 1 1.546 0.030 . 2 . . . . 18 PRO HG3 . 11288 1 141 . 1 1 18 18 PRO C C 13 174.663 0.300 . 1 . . . . 18 PRO C . 11288 1 142 . 1 1 18 18 PRO CA C 13 62.393 0.300 . 1 . . . . 18 PRO CA . 11288 1 143 . 1 1 18 18 PRO CB C 13 32.018 0.300 . 1 . . . . 18 PRO CB . 11288 1 144 . 1 1 18 18 PRO CD C 13 50.605 0.300 . 1 . . . . 18 PRO CD . 11288 1 145 . 1 1 18 18 PRO CG C 13 28.806 0.300 . 1 . . . . 18 PRO CG . 11288 1 146 . 1 1 19 19 ASP H H 1 7.628 0.030 . 1 . . . . 19 ASP H . 11288 1 147 . 1 1 19 19 ASP HA H 1 4.481 0.030 . 1 . . . . 19 ASP HA . 11288 1 148 . 1 1 19 19 ASP HB2 H 1 2.750 0.030 . 2 . . . . 19 ASP HB2 . 11288 1 149 . 1 1 19 19 ASP HB3 H 1 2.536 0.030 . 2 . . . . 19 ASP HB3 . 11288 1 150 . 1 1 19 19 ASP C C 13 173.995 0.300 . 1 . . . . 19 ASP C . 11288 1 151 . 1 1 19 19 ASP CA C 13 53.771 0.300 . 1 . . . . 19 ASP CA . 11288 1 152 . 1 1 19 19 ASP CB C 13 41.614 0.300 . 1 . . . . 19 ASP CB . 11288 1 153 . 1 1 19 19 ASP N N 15 119.640 0.300 . 1 . . . . 19 ASP N . 11288 1 154 . 1 1 20 20 ILE H H 1 7.919 0.030 . 1 . . . . 20 ILE H . 11288 1 155 . 1 1 20 20 ILE HA H 1 3.929 0.030 . 1 . . . . 20 ILE HA . 11288 1 156 . 1 1 20 20 ILE HB H 1 1.596 0.030 . 1 . . . . 20 ILE HB . 11288 1 157 . 1 1 20 20 ILE HD11 H 1 0.878 0.030 . 1 . . . . 20 ILE HD1 . 11288 1 158 . 1 1 20 20 ILE HD12 H 1 0.878 0.030 . 1 . . . . 20 ILE HD1 . 11288 1 159 . 1 1 20 20 ILE HD13 H 1 0.878 0.030 . 1 . . . . 20 ILE HD1 . 11288 1 160 . 1 1 20 20 ILE HG12 H 1 1.865 0.030 . 2 . . . . 20 ILE HG12 . 11288 1 161 . 1 1 20 20 ILE HG13 H 1 0.764 0.030 . 2 . . . . 20 ILE HG13 . 11288 1 162 . 1 1 20 20 ILE HG21 H 1 0.868 0.030 . 1 . . . . 20 ILE HG2 . 11288 1 163 . 1 1 20 20 ILE HG22 H 1 0.868 0.030 . 1 . . . . 20 ILE HG2 . 11288 1 164 . 1 1 20 20 ILE HG23 H 1 0.868 0.030 . 1 . . . . 20 ILE HG2 . 11288 1 165 . 1 1 20 20 ILE C C 13 176.120 0.300 . 1 . . . . 20 ILE C . 11288 1 166 . 1 1 20 20 ILE CA C 13 60.562 0.300 . 1 . . . . 20 ILE CA . 11288 1 167 . 1 1 20 20 ILE CB C 13 39.057 0.300 . 1 . . . . 20 ILE CB . 11288 1 168 . 1 1 20 20 ILE CD1 C 13 13.321 0.300 . 1 . . . . 20 ILE CD1 . 11288 1 169 . 1 1 20 20 ILE CG1 C 13 28.807 0.300 . 1 . . . . 20 ILE CG1 . 11288 1 170 . 1 1 20 20 ILE CG2 C 13 16.151 0.300 . 1 . . . . 20 ILE CG2 . 11288 1 171 . 1 1 20 20 ILE N N 15 117.646 0.300 . 1 . . . . 20 ILE N . 11288 1 172 . 1 1 21 21 PRO HA H 1 4.602 0.030 . 1 . . . . 21 PRO HA . 11288 1 173 . 1 1 21 21 PRO HB2 H 1 2.200 0.030 . 2 . . . . 21 PRO HB2 . 11288 1 174 . 1 1 21 21 PRO HB3 H 1 2.091 0.030 . 2 . . . . 21 PRO HB3 . 11288 1 175 . 1 1 21 21 PRO HD2 H 1 4.397 0.030 . 2 . . . . 21 PRO HD2 . 11288 1 176 . 1 1 21 21 PRO HD3 H 1 3.784 0.030 . 2 . . . . 21 PRO HD3 . 11288 1 177 . 1 1 21 21 PRO HG2 H 1 1.792 0.030 . 2 . . . . 21 PRO HG2 . 11288 1 178 . 1 1 21 21 PRO HG3 H 1 1.650 0.030 . 2 . . . . 21 PRO HG3 . 11288 1 179 . 1 1 21 21 PRO C C 13 176.411 0.300 . 1 . . . . 21 PRO C . 11288 1 180 . 1 1 21 21 PRO CA C 13 62.387 0.300 . 1 . . . . 21 PRO CA . 11288 1 181 . 1 1 21 21 PRO CB C 13 32.786 0.300 . 1 . . . . 21 PRO CB . 11288 1 182 . 1 1 21 21 PRO CD C 13 51.123 0.300 . 1 . . . . 21 PRO CD . 11288 1 183 . 1 1 21 21 PRO CG C 13 27.940 0.300 . 1 . . . . 21 PRO CG . 11288 1 184 . 1 1 22 22 ASN H H 1 8.477 0.030 . 1 . . . . 22 ASN H . 11288 1 185 . 1 1 22 22 ASN HA H 1 4.911 0.030 . 1 . . . . 22 ASN HA . 11288 1 186 . 1 1 22 22 ASN HB2 H 1 2.961 0.030 . 2 . . . . 22 ASN HB2 . 11288 1 187 . 1 1 22 22 ASN HB3 H 1 2.726 0.030 . 2 . . . . 22 ASN HB3 . 11288 1 188 . 1 1 22 22 ASN HD21 H 1 7.731 0.030 . 2 . . . . 22 ASN HD21 . 11288 1 189 . 1 1 22 22 ASN HD22 H 1 7.176 0.030 . 2 . . . . 22 ASN HD22 . 11288 1 190 . 1 1 22 22 ASN C C 13 173.084 0.300 . 1 . . . . 22 ASN C . 11288 1 191 . 1 1 22 22 ASN CA C 13 52.345 0.300 . 1 . . . . 22 ASN CA . 11288 1 192 . 1 1 22 22 ASN CB C 13 37.204 0.300 . 1 . . . . 22 ASN CB . 11288 1 193 . 1 1 22 22 ASN N N 15 118.698 0.300 . 1 . . . . 22 ASN N . 11288 1 194 . 1 1 22 22 ASN ND2 N 15 112.773 0.300 . 1 . . . . 22 ASN ND2 . 11288 1 195 . 1 1 23 23 PRO HA H 1 4.622 0.030 . 1 . . . . 23 PRO HA . 11288 1 196 . 1 1 23 23 PRO HB2 H 1 2.536 0.030 . 2 . . . . 23 PRO HB2 . 11288 1 197 . 1 1 23 23 PRO HB3 H 1 1.866 0.030 . 2 . . . . 23 PRO HB3 . 11288 1 198 . 1 1 23 23 PRO HD2 H 1 4.116 0.030 . 2 . . . . 23 PRO HD2 . 11288 1 199 . 1 1 23 23 PRO HD3 H 1 3.712 0.030 . 2 . . . . 23 PRO HD3 . 11288 1 200 . 1 1 23 23 PRO HG2 H 1 2.176 0.030 . 2 . . . . 23 PRO HG2 . 11288 1 201 . 1 1 23 23 PRO HG3 H 1 2.142 0.030 . 2 . . . . 23 PRO HG3 . 11288 1 202 . 1 1 23 23 PRO CA C 13 61.698 0.300 . 1 . . . . 23 PRO CA . 11288 1 203 . 1 1 23 23 PRO CB C 13 30.555 0.300 . 1 . . . . 23 PRO CB . 11288 1 204 . 1 1 23 23 PRO CD C 13 49.949 0.300 . 1 . . . . 23 PRO CD . 11288 1 205 . 1 1 23 23 PRO CG C 13 27.968 0.300 . 1 . . . . 23 PRO CG . 11288 1 206 . 1 1 24 24 PRO HA H 1 4.836 0.030 . 1 . . . . 24 PRO HA . 11288 1 207 . 1 1 24 24 PRO HB2 H 1 2.285 0.030 . 2 . . . . 24 PRO HB2 . 11288 1 208 . 1 1 24 24 PRO HB3 H 1 2.040 0.030 . 2 . . . . 24 PRO HB3 . 11288 1 209 . 1 1 24 24 PRO HD2 H 1 3.649 0.030 . 2 . . . . 24 PRO HD2 . 11288 1 210 . 1 1 24 24 PRO HD3 H 1 3.602 0.030 . 2 . . . . 24 PRO HD3 . 11288 1 211 . 1 1 24 24 PRO HG2 H 1 1.928 0.030 . 2 . . . . 24 PRO HG2 . 11288 1 212 . 1 1 24 24 PRO HG3 H 1 1.677 0.030 . 2 . . . . 24 PRO HG3 . 11288 1 213 . 1 1 24 24 PRO C C 13 175.173 0.300 . 1 . . . . 24 PRO C . 11288 1 214 . 1 1 24 24 PRO CA C 13 62.161 0.300 . 1 . . . . 24 PRO CA . 11288 1 215 . 1 1 24 24 PRO CB C 13 33.445 0.300 . 1 . . . . 24 PRO CB . 11288 1 216 . 1 1 24 24 PRO CD C 13 49.105 0.300 . 1 . . . . 24 PRO CD . 11288 1 217 . 1 1 24 24 PRO CG C 13 27.416 0.300 . 1 . . . . 24 PRO CG . 11288 1 218 . 1 1 25 25 ARG H H 1 9.331 0.030 . 1 . . . . 25 ARG H . 11288 1 219 . 1 1 25 25 ARG HA H 1 4.748 0.030 . 1 . . . . 25 ARG HA . 11288 1 220 . 1 1 25 25 ARG HB2 H 1 1.899 0.030 . 2 . . . . 25 ARG HB2 . 11288 1 221 . 1 1 25 25 ARG HB3 H 1 1.736 0.030 . 2 . . . . 25 ARG HB3 . 11288 1 222 . 1 1 25 25 ARG HD2 H 1 3.233 0.030 . 1 . . . . 25 ARG HD2 . 11288 1 223 . 1 1 25 25 ARG HD3 H 1 3.233 0.030 . 1 . . . . 25 ARG HD3 . 11288 1 224 . 1 1 25 25 ARG HG2 H 1 1.736 0.030 . 2 . . . . 25 ARG HG2 . 11288 1 225 . 1 1 25 25 ARG HG3 H 1 1.683 0.030 . 2 . . . . 25 ARG HG3 . 11288 1 226 . 1 1 25 25 ARG C C 13 175.173 0.300 . 1 . . . . 25 ARG C . 11288 1 227 . 1 1 25 25 ARG CA C 13 54.210 0.300 . 1 . . . . 25 ARG CA . 11288 1 228 . 1 1 25 25 ARG CB C 13 33.165 0.300 . 1 . . . . 25 ARG CB . 11288 1 229 . 1 1 25 25 ARG CD C 13 43.261 0.300 . 1 . . . . 25 ARG CD . 11288 1 230 . 1 1 25 25 ARG CG C 13 27.288 0.300 . 1 . . . . 25 ARG CG . 11288 1 231 . 1 1 25 25 ARG N N 15 121.262 0.300 . 1 . . . . 25 ARG N . 11288 1 232 . 1 1 26 26 ILE H H 1 8.078 0.030 . 1 . . . . 26 ILE H . 11288 1 233 . 1 1 26 26 ILE HA H 1 4.113 0.030 . 1 . . . . 26 ILE HA . 11288 1 234 . 1 1 26 26 ILE HB H 1 0.855 0.030 . 1 . . . . 26 ILE HB . 11288 1 235 . 1 1 26 26 ILE HD11 H 1 0.551 0.030 . 1 . . . . 26 ILE HD1 . 11288 1 236 . 1 1 26 26 ILE HD12 H 1 0.551 0.030 . 1 . . . . 26 ILE HD1 . 11288 1 237 . 1 1 26 26 ILE HD13 H 1 0.551 0.030 . 1 . . . . 26 ILE HD1 . 11288 1 238 . 1 1 26 26 ILE HG12 H 1 0.837 0.030 . 2 . . . . 26 ILE HG12 . 11288 1 239 . 1 1 26 26 ILE HG13 H 1 0.379 0.030 . 2 . . . . 26 ILE HG13 . 11288 1 240 . 1 1 26 26 ILE HG21 H 1 0.671 0.030 . 1 . . . . 26 ILE HG2 . 11288 1 241 . 1 1 26 26 ILE HG22 H 1 0.671 0.030 . 1 . . . . 26 ILE HG2 . 11288 1 242 . 1 1 26 26 ILE HG23 H 1 0.671 0.030 . 1 . . . . 26 ILE HG2 . 11288 1 243 . 1 1 26 26 ILE C C 13 175.306 0.300 . 1 . . . . 26 ILE C . 11288 1 244 . 1 1 26 26 ILE CA C 13 59.062 0.300 . 1 . . . . 26 ILE CA . 11288 1 245 . 1 1 26 26 ILE CB C 13 37.955 0.300 . 1 . . . . 26 ILE CB . 11288 1 246 . 1 1 26 26 ILE CD1 C 13 13.760 0.300 . 1 . . . . 26 ILE CD1 . 11288 1 247 . 1 1 26 26 ILE CG1 C 13 27.265 0.300 . 1 . . . . 26 ILE CG1 . 11288 1 248 . 1 1 26 26 ILE CG2 C 13 17.443 0.300 . 1 . . . . 26 ILE CG2 . 11288 1 249 . 1 1 26 26 ILE N N 15 120.227 0.300 . 1 . . . . 26 ILE N . 11288 1 250 . 1 1 27 27 ALA H H 1 9.061 0.030 . 1 . . . . 27 ALA H . 11288 1 251 . 1 1 27 27 ALA HA H 1 4.384 0.030 . 1 . . . . 27 ALA HA . 11288 1 252 . 1 1 27 27 ALA HB1 H 1 1.032 0.030 . 1 . . . . 27 ALA HB . 11288 1 253 . 1 1 27 27 ALA HB2 H 1 1.032 0.030 . 1 . . . . 27 ALA HB . 11288 1 254 . 1 1 27 27 ALA HB3 H 1 1.032 0.030 . 1 . . . . 27 ALA HB . 11288 1 255 . 1 1 27 27 ALA C C 13 177.067 0.300 . 1 . . . . 27 ALA C . 11288 1 256 . 1 1 27 27 ALA CA C 13 52.205 0.300 . 1 . . . . 27 ALA CA . 11288 1 257 . 1 1 27 27 ALA CB C 13 20.195 0.300 . 1 . . . . 27 ALA CB . 11288 1 258 . 1 1 27 27 ALA N N 15 130.802 0.300 . 1 . . . . 27 ALA N . 11288 1 259 . 1 1 28 28 ASN H H 1 7.658 0.030 . 1 . . . . 28 ASN H . 11288 1 260 . 1 1 28 28 ASN HA H 1 4.701 0.030 . 1 . . . . 28 ASN HA . 11288 1 261 . 1 1 28 28 ASN HB2 H 1 2.740 0.030 . 2 . . . . 28 ASN HB2 . 11288 1 262 . 1 1 28 28 ASN HB3 H 1 2.402 0.030 . 2 . . . . 28 ASN HB3 . 11288 1 263 . 1 1 28 28 ASN HD21 H 1 7.694 0.030 . 2 . . . . 28 ASN HD21 . 11288 1 264 . 1 1 28 28 ASN HD22 H 1 6.819 0.030 . 2 . . . . 28 ASN HD22 . 11288 1 265 . 1 1 28 28 ASN C C 13 171.724 0.300 . 1 . . . . 28 ASN C . 11288 1 266 . 1 1 28 28 ASN CA C 13 53.218 0.300 . 1 . . . . 28 ASN CA . 11288 1 267 . 1 1 28 28 ASN CB C 13 42.133 0.300 . 1 . . . . 28 ASN CB . 11288 1 268 . 1 1 28 28 ASN N N 15 113.981 0.300 . 1 . . . . 28 ASN N . 11288 1 269 . 1 1 28 28 ASN ND2 N 15 113.347 0.300 . 1 . . . . 28 ASN ND2 . 11288 1 270 . 1 1 29 29 ARG H H 1 8.342 0.030 . 1 . . . . 29 ARG H . 11288 1 271 . 1 1 29 29 ARG HA H 1 5.111 0.030 . 1 . . . . 29 ARG HA . 11288 1 272 . 1 1 29 29 ARG HB2 H 1 1.989 0.030 . 1 . . . . 29 ARG HB2 . 11288 1 273 . 1 1 29 29 ARG HB3 H 1 1.989 0.030 . 1 . . . . 29 ARG HB3 . 11288 1 274 . 1 1 29 29 ARG HD2 H 1 3.354 0.030 . 2 . . . . 29 ARG HD2 . 11288 1 275 . 1 1 29 29 ARG HD3 H 1 3.178 0.030 . 2 . . . . 29 ARG HD3 . 11288 1 276 . 1 1 29 29 ARG HG2 H 1 1.631 0.030 . 2 . . . . 29 ARG HG2 . 11288 1 277 . 1 1 29 29 ARG HG3 H 1 1.566 0.030 . 2 . . . . 29 ARG HG3 . 11288 1 278 . 1 1 29 29 ARG C C 13 174.092 0.300 . 1 . . . . 29 ARG C . 11288 1 279 . 1 1 29 29 ARG CA C 13 55.473 0.300 . 1 . . . . 29 ARG CA . 11288 1 280 . 1 1 29 29 ARG CB C 13 34.754 0.300 . 1 . . . . 29 ARG CB . 11288 1 281 . 1 1 29 29 ARG CD C 13 44.570 0.300 . 1 . . . . 29 ARG CD . 11288 1 282 . 1 1 29 29 ARG CG C 13 25.520 0.300 . 1 . . . . 29 ARG CG . 11288 1 283 . 1 1 29 29 ARG N N 15 119.486 0.300 . 1 . . . . 29 ARG N . 11288 1 284 . 1 1 30 30 THR H H 1 8.565 0.030 . 1 . . . . 30 THR H . 11288 1 285 . 1 1 30 30 THR HA H 1 4.803 0.030 . 1 . . . . 30 THR HA . 11288 1 286 . 1 1 30 30 THR HB H 1 4.689 0.030 . 1 . . . . 30 THR HB . 11288 1 287 . 1 1 30 30 THR HG21 H 1 1.139 0.030 . 1 . . . . 30 THR HG2 . 11288 1 288 . 1 1 30 30 THR HG22 H 1 1.139 0.030 . 1 . . . . 30 THR HG2 . 11288 1 289 . 1 1 30 30 THR HG23 H 1 1.139 0.030 . 1 . . . . 30 THR HG2 . 11288 1 290 . 1 1 30 30 THR C C 13 175.537 0.300 . 1 . . . . 30 THR C . 11288 1 291 . 1 1 30 30 THR CA C 13 60.351 0.300 . 1 . . . . 30 THR CA . 11288 1 292 . 1 1 30 30 THR CB C 13 71.850 0.300 . 1 . . . . 30 THR CB . 11288 1 293 . 1 1 30 30 THR CG2 C 13 21.166 0.300 . 1 . . . . 30 THR CG2 . 11288 1 294 . 1 1 30 30 THR N N 15 113.016 0.300 . 1 . . . . 30 THR N . 11288 1 295 . 1 1 31 31 LYS H H 1 8.459 0.030 . 1 . . . . 31 LYS H . 11288 1 296 . 1 1 31 31 LYS HA H 1 4.532 0.030 . 1 . . . . 31 LYS HA . 11288 1 297 . 1 1 31 31 LYS HB2 H 1 1.758 0.030 . 2 . . . . 31 LYS HB2 . 11288 1 298 . 1 1 31 31 LYS HB3 H 1 1.678 0.030 . 2 . . . . 31 LYS HB3 . 11288 1 299 . 1 1 31 31 LYS HD2 H 1 1.700 0.030 . 2 . . . . 31 LYS HD2 . 11288 1 300 . 1 1 31 31 LYS HD3 H 1 1.651 0.030 . 2 . . . . 31 LYS HD3 . 11288 1 301 . 1 1 31 31 LYS HE2 H 1 2.989 0.030 . 1 . . . . 31 LYS HE2 . 11288 1 302 . 1 1 31 31 LYS HE3 H 1 2.989 0.030 . 1 . . . . 31 LYS HE3 . 11288 1 303 . 1 1 31 31 LYS HG2 H 1 1.417 0.030 . 2 . . . . 31 LYS HG2 . 11288 1 304 . 1 1 31 31 LYS HG3 H 1 1.350 0.030 . 2 . . . . 31 LYS HG3 . 11288 1 305 . 1 1 31 31 LYS C C 13 174.760 0.300 . 1 . . . . 31 LYS C . 11288 1 306 . 1 1 31 31 LYS CA C 13 58.628 0.300 . 1 . . . . 31 LYS CA . 11288 1 307 . 1 1 31 31 LYS CB C 13 33.145 0.300 . 1 . . . . 31 LYS CB . 11288 1 308 . 1 1 31 31 LYS CD C 13 29.940 0.300 . 1 . . . . 31 LYS CD . 11288 1 309 . 1 1 31 31 LYS CE C 13 41.973 0.300 . 1 . . . . 31 LYS CE . 11288 1 310 . 1 1 31 31 LYS CG C 13 24.874 0.300 . 1 . . . . 31 LYS CG . 11288 1 311 . 1 1 31 31 LYS N N 15 117.380 0.300 . 1 . . . . 31 LYS N . 11288 1 312 . 1 1 32 32 ASN H H 1 7.753 0.030 . 1 . . . . 32 ASN H . 11288 1 313 . 1 1 32 32 ASN HA H 1 4.836 0.030 . 1 . . . . 32 ASN HA . 11288 1 314 . 1 1 32 32 ASN HB2 H 1 2.937 0.030 . 2 . . . . 32 ASN HB2 . 11288 1 315 . 1 1 32 32 ASN HB3 H 1 2.733 0.030 . 2 . . . . 32 ASN HB3 . 11288 1 316 . 1 1 32 32 ASN HD21 H 1 7.673 0.030 . 2 . . . . 32 ASN HD21 . 11288 1 317 . 1 1 32 32 ASN HD22 H 1 7.041 0.030 . 2 . . . . 32 ASN HD22 . 11288 1 318 . 1 1 32 32 ASN C C 13 174.238 0.300 . 1 . . . . 32 ASN C . 11288 1 319 . 1 1 32 32 ASN CA C 13 51.886 0.300 . 1 . . . . 32 ASN CA . 11288 1 320 . 1 1 32 32 ASN CB C 13 41.768 0.300 . 1 . . . . 32 ASN CB . 11288 1 321 . 1 1 32 32 ASN N N 15 108.717 0.300 . 1 . . . . 32 ASN N . 11288 1 322 . 1 1 32 32 ASN ND2 N 15 111.358 0.300 . 1 . . . . 32 ASN ND2 . 11288 1 323 . 1 1 33 33 SER H H 1 7.492 0.030 . 1 . . . . 33 SER H . 11288 1 324 . 1 1 33 33 SER HA H 1 5.274 0.030 . 1 . . . . 33 SER HA . 11288 1 325 . 1 1 33 33 SER HB2 H 1 3.789 0.030 . 2 . . . . 33 SER HB2 . 11288 1 326 . 1 1 33 33 SER HB3 H 1 3.667 0.030 . 2 . . . . 33 SER HB3 . 11288 1 327 . 1 1 33 33 SER C C 13 171.299 0.300 . 1 . . . . 33 SER C . 11288 1 328 . 1 1 33 33 SER CA C 13 57.494 0.300 . 1 . . . . 33 SER CA . 11288 1 329 . 1 1 33 33 SER CB C 13 67.001 0.300 . 1 . . . . 33 SER CB . 11288 1 330 . 1 1 33 33 SER N N 15 113.625 0.300 . 1 . . . . 33 SER N . 11288 1 331 . 1 1 34 34 LEU H H 1 8.222 0.030 . 1 . . . . 34 LEU H . 11288 1 332 . 1 1 34 34 LEU HA H 1 4.792 0.030 . 1 . . . . 34 LEU HA . 11288 1 333 . 1 1 34 34 LEU HB2 H 1 1.587 0.030 . 2 . . . . 34 LEU HB2 . 11288 1 334 . 1 1 34 34 LEU HB3 H 1 1.180 0.030 . 2 . . . . 34 LEU HB3 . 11288 1 335 . 1 1 34 34 LEU HD11 H 1 1.098 0.030 . 1 . . . . 34 LEU HD1 . 11288 1 336 . 1 1 34 34 LEU HD12 H 1 1.098 0.030 . 1 . . . . 34 LEU HD1 . 11288 1 337 . 1 1 34 34 LEU HD13 H 1 1.098 0.030 . 1 . . . . 34 LEU HD1 . 11288 1 338 . 1 1 34 34 LEU HD21 H 1 1.032 0.030 . 1 . . . . 34 LEU HD2 . 11288 1 339 . 1 1 34 34 LEU HD22 H 1 1.032 0.030 . 1 . . . . 34 LEU HD2 . 11288 1 340 . 1 1 34 34 LEU HD23 H 1 1.032 0.030 . 1 . . . . 34 LEU HD2 . 11288 1 341 . 1 1 34 34 LEU HG H 1 1.626 0.030 . 1 . . . . 34 LEU HG . 11288 1 342 . 1 1 34 34 LEU C C 13 175.185 0.300 . 1 . . . . 34 LEU C . 11288 1 343 . 1 1 34 34 LEU CA C 13 54.398 0.300 . 1 . . . . 34 LEU CA . 11288 1 344 . 1 1 34 34 LEU CB C 13 47.601 0.300 . 1 . . . . 34 LEU CB . 11288 1 345 . 1 1 34 34 LEU CD1 C 13 26.693 0.300 . 2 . . . . 34 LEU CD1 . 11288 1 346 . 1 1 34 34 LEU CD2 C 13 24.223 0.300 . 2 . . . . 34 LEU CD2 . 11288 1 347 . 1 1 34 34 LEU CG C 13 26.574 0.300 . 1 . . . . 34 LEU CG . 11288 1 348 . 1 1 34 34 LEU N N 15 118.105 0.300 . 1 . . . . 34 LEU N . 11288 1 349 . 1 1 35 35 THR H H 1 8.754 0.030 . 1 . . . . 35 THR H . 11288 1 350 . 1 1 35 35 THR HA H 1 4.880 0.030 . 1 . . . . 35 THR HA . 11288 1 351 . 1 1 35 35 THR HB H 1 3.806 0.030 . 1 . . . . 35 THR HB . 11288 1 352 . 1 1 35 35 THR HG21 H 1 0.861 0.030 . 1 . . . . 35 THR HG2 . 11288 1 353 . 1 1 35 35 THR HG22 H 1 0.861 0.030 . 1 . . . . 35 THR HG2 . 11288 1 354 . 1 1 35 35 THR HG23 H 1 0.861 0.030 . 1 . . . . 35 THR HG2 . 11288 1 355 . 1 1 35 35 THR C C 13 172.914 0.300 . 1 . . . . 35 THR C . 11288 1 356 . 1 1 35 35 THR CA C 13 61.937 0.300 . 1 . . . . 35 THR CA . 11288 1 357 . 1 1 35 35 THR CB C 13 68.696 0.300 . 1 . . . . 35 THR CB . 11288 1 358 . 1 1 35 35 THR CG2 C 13 20.965 0.300 . 1 . . . . 35 THR CG2 . 11288 1 359 . 1 1 35 35 THR N N 15 117.727 0.300 . 1 . . . . 35 THR N . 11288 1 360 . 1 1 36 36 LEU H H 1 8.867 0.030 . 1 . . . . 36 LEU H . 11288 1 361 . 1 1 36 36 LEU HA H 1 5.186 0.030 . 1 . . . . 36 LEU HA . 11288 1 362 . 1 1 36 36 LEU HB2 H 1 1.739 0.030 . 2 . . . . 36 LEU HB2 . 11288 1 363 . 1 1 36 36 LEU HB3 H 1 1.543 0.030 . 2 . . . . 36 LEU HB3 . 11288 1 364 . 1 1 36 36 LEU HD11 H 1 0.111 0.030 . 1 . . . . 36 LEU HD1 . 11288 1 365 . 1 1 36 36 LEU HD12 H 1 0.111 0.030 . 1 . . . . 36 LEU HD1 . 11288 1 366 . 1 1 36 36 LEU HD13 H 1 0.111 0.030 . 1 . . . . 36 LEU HD1 . 11288 1 367 . 1 1 36 36 LEU HD21 H 1 0.253 0.030 . 1 . . . . 36 LEU HD2 . 11288 1 368 . 1 1 36 36 LEU HD22 H 1 0.253 0.030 . 1 . . . . 36 LEU HD2 . 11288 1 369 . 1 1 36 36 LEU HD23 H 1 0.253 0.030 . 1 . . . . 36 LEU HD2 . 11288 1 370 . 1 1 36 36 LEU HG H 1 1.222 0.030 . 1 . . . . 36 LEU HG . 11288 1 371 . 1 1 36 36 LEU C C 13 174.954 0.300 . 1 . . . . 36 LEU C . 11288 1 372 . 1 1 36 36 LEU CA C 13 53.061 0.300 . 1 . . . . 36 LEU CA . 11288 1 373 . 1 1 36 36 LEU CB C 13 45.023 0.300 . 1 . . . . 36 LEU CB . 11288 1 374 . 1 1 36 36 LEU CD1 C 13 24.889 0.300 . 2 . . . . 36 LEU CD1 . 11288 1 375 . 1 1 36 36 LEU CD2 C 13 24.428 0.300 . 2 . . . . 36 LEU CD2 . 11288 1 376 . 1 1 36 36 LEU CG C 13 28.367 0.300 . 1 . . . . 36 LEU CG . 11288 1 377 . 1 1 36 36 LEU N N 15 129.640 0.300 . 1 . . . . 36 LEU N . 11288 1 378 . 1 1 37 37 GLN H H 1 8.975 0.030 . 1 . . . . 37 GLN H . 11288 1 379 . 1 1 37 37 GLN HA H 1 4.840 0.030 . 1 . . . . 37 GLN HA . 11288 1 380 . 1 1 37 37 GLN HB2 H 1 1.806 0.030 . 2 . . . . 37 GLN HB2 . 11288 1 381 . 1 1 37 37 GLN HB3 H 1 1.716 0.030 . 2 . . . . 37 GLN HB3 . 11288 1 382 . 1 1 37 37 GLN HE21 H 1 7.080 0.030 . 2 . . . . 37 GLN HE21 . 11288 1 383 . 1 1 37 37 GLN HE22 H 1 6.740 0.030 . 2 . . . . 37 GLN HE22 . 11288 1 384 . 1 1 37 37 GLN HG2 H 1 2.095 0.030 . 1 . . . . 37 GLN HG2 . 11288 1 385 . 1 1 37 37 GLN HG3 H 1 2.095 0.030 . 1 . . . . 37 GLN HG3 . 11288 1 386 . 1 1 37 37 GLN C C 13 174.140 0.300 . 1 . . . . 37 GLN C . 11288 1 387 . 1 1 37 37 GLN CA C 13 53.991 0.300 . 1 . . . . 37 GLN CA . 11288 1 388 . 1 1 37 37 GLN CB C 13 33.132 0.300 . 1 . . . . 37 GLN CB . 11288 1 389 . 1 1 37 37 GLN CG C 13 33.363 0.300 . 1 . . . . 37 GLN CG . 11288 1 390 . 1 1 37 37 GLN N N 15 116.511 0.300 . 1 . . . . 37 GLN N . 11288 1 391 . 1 1 37 37 GLN NE2 N 15 110.737 0.300 . 1 . . . . 37 GLN NE2 . 11288 1 392 . 1 1 38 38 TRP H H 1 7.975 0.030 . 1 . . . . 38 TRP H . 11288 1 393 . 1 1 38 38 TRP HA H 1 5.141 0.030 . 1 . . . . 38 TRP HA . 11288 1 394 . 1 1 38 38 TRP HB2 H 1 3.241 0.030 . 2 . . . . 38 TRP HB2 . 11288 1 395 . 1 1 38 38 TRP HB3 H 1 3.001 0.030 . 2 . . . . 38 TRP HB3 . 11288 1 396 . 1 1 38 38 TRP HD1 H 1 5.770 0.030 . 1 . . . . 38 TRP HD1 . 11288 1 397 . 1 1 38 38 TRP HE1 H 1 6.874 0.030 . 1 . . . . 38 TRP HE1 . 11288 1 398 . 1 1 38 38 TRP HE3 H 1 6.774 0.030 . 1 . . . . 38 TRP HE3 . 11288 1 399 . 1 1 38 38 TRP HH2 H 1 6.439 0.030 . 1 . . . . 38 TRP HH2 . 11288 1 400 . 1 1 38 38 TRP HZ2 H 1 7.296 0.030 . 1 . . . . 38 TRP HZ2 . 11288 1 401 . 1 1 38 38 TRP HZ3 H 1 6.534 0.030 . 1 . . . . 38 TRP HZ3 . 11288 1 402 . 1 1 38 38 TRP C C 13 172.902 0.300 . 1 . . . . 38 TRP C . 11288 1 403 . 1 1 38 38 TRP CA C 13 56.129 0.300 . 1 . . . . 38 TRP CA . 11288 1 404 . 1 1 38 38 TRP CB C 13 30.602 0.300 . 1 . . . . 38 TRP CB . 11288 1 405 . 1 1 38 38 TRP CD1 C 13 125.023 0.300 . 1 . . . . 38 TRP CD1 . 11288 1 406 . 1 1 38 38 TRP CE3 C 13 118.221 0.300 . 1 . . . . 38 TRP CE3 . 11288 1 407 . 1 1 38 38 TRP CH2 C 13 123.316 0.300 . 1 . . . . 38 TRP CH2 . 11288 1 408 . 1 1 38 38 TRP CZ2 C 13 115.299 0.300 . 1 . . . . 38 TRP CZ2 . 11288 1 409 . 1 1 38 38 TRP CZ3 C 13 121.428 0.300 . 1 . . . . 38 TRP CZ3 . 11288 1 410 . 1 1 38 38 TRP N N 15 119.728 0.300 . 1 . . . . 38 TRP N . 11288 1 411 . 1 1 38 38 TRP NE1 N 15 126.965 0.300 . 1 . . . . 38 TRP NE1 . 11288 1 412 . 1 1 39 39 LYS H H 1 7.935 0.030 . 1 . . . . 39 LYS H . 11288 1 413 . 1 1 39 39 LYS HA H 1 4.639 0.030 . 1 . . . . 39 LYS HA . 11288 1 414 . 1 1 39 39 LYS HB2 H 1 1.846 0.030 . 2 . . . . 39 LYS HB2 . 11288 1 415 . 1 1 39 39 LYS HB3 H 1 1.718 0.030 . 2 . . . . 39 LYS HB3 . 11288 1 416 . 1 1 39 39 LYS HD2 H 1 1.694 0.030 . 1 . . . . 39 LYS HD2 . 11288 1 417 . 1 1 39 39 LYS HD3 H 1 1.694 0.030 . 1 . . . . 39 LYS HD3 . 11288 1 418 . 1 1 39 39 LYS HE2 H 1 3.011 0.030 . 1 . . . . 39 LYS HE2 . 11288 1 419 . 1 1 39 39 LYS HE3 H 1 3.011 0.030 . 1 . . . . 39 LYS HE3 . 11288 1 420 . 1 1 39 39 LYS HG2 H 1 1.418 0.030 . 1 . . . . 39 LYS HG2 . 11288 1 421 . 1 1 39 39 LYS HG3 H 1 1.418 0.030 . 1 . . . . 39 LYS HG3 . 11288 1 422 . 1 1 39 39 LYS C C 13 176.302 0.300 . 1 . . . . 39 LYS C . 11288 1 423 . 1 1 39 39 LYS CA C 13 54.229 0.300 . 1 . . . . 39 LYS CA . 11288 1 424 . 1 1 39 39 LYS CB C 13 35.786 0.300 . 1 . . . . 39 LYS CB . 11288 1 425 . 1 1 39 39 LYS CD C 13 29.239 0.300 . 1 . . . . 39 LYS CD . 11288 1 426 . 1 1 39 39 LYS CE C 13 42.138 0.300 . 1 . . . . 39 LYS CE . 11288 1 427 . 1 1 39 39 LYS CG C 13 24.656 0.300 . 1 . . . . 39 LYS CG . 11288 1 428 . 1 1 39 39 LYS N N 15 116.019 0.300 . 1 . . . . 39 LYS N . 11288 1 429 . 1 1 40 40 ALA H H 1 8.975 0.030 . 1 . . . . 40 ALA H . 11288 1 430 . 1 1 40 40 ALA HA H 1 4.840 0.030 . 1 . . . . 40 ALA HA . 11288 1 431 . 1 1 40 40 ALA HB1 H 1 1.675 0.030 . 1 . . . . 40 ALA HB . 11288 1 432 . 1 1 40 40 ALA HB2 H 1 1.675 0.030 . 1 . . . . 40 ALA HB . 11288 1 433 . 1 1 40 40 ALA HB3 H 1 1.675 0.030 . 1 . . . . 40 ALA HB . 11288 1 434 . 1 1 40 40 ALA C C 13 175.683 0.300 . 1 . . . . 40 ALA C . 11288 1 435 . 1 1 40 40 ALA CA C 13 50.511 0.300 . 1 . . . . 40 ALA CA . 11288 1 436 . 1 1 40 40 ALA CB C 13 18.775 0.300 . 1 . . . . 40 ALA CB . 11288 1 437 . 1 1 40 40 ALA N N 15 125.578 0.300 . 1 . . . . 40 ALA N . 11288 1 438 . 1 1 41 41 PRO HA H 1 4.792 0.030 . 1 . . . . 41 PRO HA . 11288 1 439 . 1 1 41 41 PRO HB2 H 1 2.020 0.030 . 1 . . . . 41 PRO HB2 . 11288 1 440 . 1 1 41 41 PRO HB3 H 1 2.020 0.030 . 1 . . . . 41 PRO HB3 . 11288 1 441 . 1 1 41 41 PRO HD2 H 1 3.858 0.030 . 2 . . . . 41 PRO HD2 . 11288 1 442 . 1 1 41 41 PRO HD3 H 1 3.776 0.030 . 2 . . . . 41 PRO HD3 . 11288 1 443 . 1 1 41 41 PRO HG2 H 1 2.039 0.030 . 2 . . . . 41 PRO HG2 . 11288 1 444 . 1 1 41 41 PRO HG3 H 1 1.850 0.030 . 2 . . . . 41 PRO HG3 . 11288 1 445 . 1 1 41 41 PRO C C 13 175.197 0.300 . 1 . . . . 41 PRO C . 11288 1 446 . 1 1 41 41 PRO CA C 13 61.762 0.300 . 1 . . . . 41 PRO CA . 11288 1 447 . 1 1 41 41 PRO CB C 13 33.649 0.300 . 1 . . . . 41 PRO CB . 11288 1 448 . 1 1 41 41 PRO CD C 13 49.737 0.300 . 1 . . . . 41 PRO CD . 11288 1 449 . 1 1 41 41 PRO CG C 13 27.049 0.300 . 1 . . . . 41 PRO CG . 11288 1 450 . 1 1 42 42 SER H H 1 8.635 0.030 . 1 . . . . 42 SER H . 11288 1 451 . 1 1 42 42 SER HA H 1 4.279 0.030 . 1 . . . . 42 SER HA . 11288 1 452 . 1 1 42 42 SER HB2 H 1 3.862 0.030 . 1 . . . . 42 SER HB2 . 11288 1 453 . 1 1 42 42 SER HB3 H 1 3.862 0.030 . 1 . . . . 42 SER HB3 . 11288 1 454 . 1 1 42 42 SER C C 13 174.808 0.300 . 1 . . . . 42 SER C . 11288 1 455 . 1 1 42 42 SER CA C 13 59.547 0.300 . 1 . . . . 42 SER CA . 11288 1 456 . 1 1 42 42 SER CB C 13 63.439 0.300 . 1 . . . . 42 SER CB . 11288 1 457 . 1 1 42 42 SER N N 15 113.632 0.300 . 1 . . . . 42 SER N . 11288 1 458 . 1 1 43 43 ASP H H 1 8.243 0.030 . 1 . . . . 43 ASP H . 11288 1 459 . 1 1 43 43 ASP HA H 1 4.225 0.030 . 1 . . . . 43 ASP HA . 11288 1 460 . 1 1 43 43 ASP HB2 H 1 3.643 0.030 . 2 . . . . 43 ASP HB2 . 11288 1 461 . 1 1 43 43 ASP HB3 H 1 2.564 0.030 . 2 . . . . 43 ASP HB3 . 11288 1 462 . 1 1 43 43 ASP C C 13 175.428 0.300 . 1 . . . . 43 ASP C . 11288 1 463 . 1 1 43 43 ASP CA C 13 54.401 0.300 . 1 . . . . 43 ASP CA . 11288 1 464 . 1 1 43 43 ASP CB C 13 40.961 0.300 . 1 . . . . 43 ASP CB . 11288 1 465 . 1 1 43 43 ASP N N 15 123.793 0.300 . 1 . . . . 43 ASP N . 11288 1 466 . 1 1 44 44 ASN H H 1 8.009 0.030 . 1 . . . . 44 ASN H . 11288 1 467 . 1 1 44 44 ASN HA H 1 4.336 0.030 . 1 . . . . 44 ASN HA . 11288 1 468 . 1 1 44 44 ASN HB2 H 1 2.864 0.030 . 2 . . . . 44 ASN HB2 . 11288 1 469 . 1 1 44 44 ASN HB3 H 1 2.697 0.030 . 2 . . . . 44 ASN HB3 . 11288 1 470 . 1 1 44 44 ASN HD21 H 1 7.995 0.030 . 2 . . . . 44 ASN HD21 . 11288 1 471 . 1 1 44 44 ASN HD22 H 1 7.086 0.030 . 2 . . . . 44 ASN HD22 . 11288 1 472 . 1 1 44 44 ASN C C 13 175.015 0.300 . 1 . . . . 44 ASN C . 11288 1 473 . 1 1 44 44 ASN CA C 13 54.552 0.300 . 1 . . . . 44 ASN CA . 11288 1 474 . 1 1 44 44 ASN CB C 13 38.388 0.300 . 1 . . . . 44 ASN CB . 11288 1 475 . 1 1 44 44 ASN N N 15 112.416 0.300 . 1 . . . . 44 ASN N . 11288 1 476 . 1 1 44 44 ASN ND2 N 15 117.606 0.300 . 1 . . . . 44 ASN ND2 . 11288 1 477 . 1 1 45 45 GLY H H 1 8.301 0.030 . 1 . . . . 45 GLY H . 11288 1 478 . 1 1 45 45 GLY HA2 H 1 4.342 0.030 . 2 . . . . 45 GLY HA2 . 11288 1 479 . 1 1 45 45 GLY HA3 H 1 3.671 0.030 . 2 . . . . 45 GLY HA3 . 11288 1 480 . 1 1 45 45 GLY C C 13 174.748 0.300 . 1 . . . . 45 GLY C . 11288 1 481 . 1 1 45 45 GLY CA C 13 45.562 0.300 . 1 . . . . 45 GLY CA . 11288 1 482 . 1 1 45 45 GLY N N 15 102.796 0.300 . 1 . . . . 45 GLY N . 11288 1 483 . 1 1 46 46 SER H H 1 7.423 0.030 . 1 . . . . 46 SER H . 11288 1 484 . 1 1 46 46 SER HA H 1 4.641 0.030 . 1 . . . . 46 SER HA . 11288 1 485 . 1 1 46 46 SER HB2 H 1 3.813 0.030 . 2 . . . . 46 SER HB2 . 11288 1 486 . 1 1 46 46 SER HB3 H 1 3.787 0.030 . 2 . . . . 46 SER HB3 . 11288 1 487 . 1 1 46 46 SER C C 13 173.181 0.300 . 1 . . . . 46 SER C . 11288 1 488 . 1 1 46 46 SER CA C 13 57.371 0.300 . 1 . . . . 46 SER CA . 11288 1 489 . 1 1 46 46 SER CB C 13 63.943 0.300 . 1 . . . . 46 SER CB . 11288 1 490 . 1 1 46 46 SER N N 15 116.003 0.300 . 1 . . . . 46 SER N . 11288 1 491 . 1 1 47 47 LYS H H 1 8.278 0.030 . 1 . . . . 47 LYS H . 11288 1 492 . 1 1 47 47 LYS HA H 1 4.178 0.030 . 1 . . . . 47 LYS HA . 11288 1 493 . 1 1 47 47 LYS HB2 H 1 1.796 0.030 . 2 . . . . 47 LYS HB2 . 11288 1 494 . 1 1 47 47 LYS HB3 H 1 1.737 0.030 . 2 . . . . 47 LYS HB3 . 11288 1 495 . 1 1 47 47 LYS HD2 H 1 1.695 0.030 . 1 . . . . 47 LYS HD2 . 11288 1 496 . 1 1 47 47 LYS HD3 H 1 1.695 0.030 . 1 . . . . 47 LYS HD3 . 11288 1 497 . 1 1 47 47 LYS HE2 H 1 3.003 0.030 . 1 . . . . 47 LYS HE2 . 11288 1 498 . 1 1 47 47 LYS HE3 H 1 3.003 0.030 . 1 . . . . 47 LYS HE3 . 11288 1 499 . 1 1 47 47 LYS HG2 H 1 1.450 0.030 . 1 . . . . 47 LYS HG2 . 11288 1 500 . 1 1 47 47 LYS HG3 H 1 1.450 0.030 . 1 . . . . 47 LYS HG3 . 11288 1 501 . 1 1 47 47 LYS C C 13 177.152 0.300 . 1 . . . . 47 LYS C . 11288 1 502 . 1 1 47 47 LYS CA C 13 56.961 0.300 . 1 . . . . 47 LYS CA . 11288 1 503 . 1 1 47 47 LYS CB C 13 33.011 0.300 . 1 . . . . 47 LYS CB . 11288 1 504 . 1 1 47 47 LYS CD C 13 29.281 0.300 . 1 . . . . 47 LYS CD . 11288 1 505 . 1 1 47 47 LYS CE C 13 42.303 0.300 . 1 . . . . 47 LYS CE . 11288 1 506 . 1 1 47 47 LYS CG C 13 24.481 0.300 . 1 . . . . 47 LYS CG . 11288 1 507 . 1 1 47 47 LYS N N 15 125.272 0.300 . 1 . . . . 47 LYS N . 11288 1 508 . 1 1 48 48 ILE H H 1 8.726 0.030 . 1 . . . . 48 ILE H . 11288 1 509 . 1 1 48 48 ILE HA H 1 3.710 0.030 . 1 . . . . 48 ILE HA . 11288 1 510 . 1 1 48 48 ILE HB H 1 1.722 0.030 . 1 . . . . 48 ILE HB . 11288 1 511 . 1 1 48 48 ILE HD11 H 1 0.897 0.030 . 1 . . . . 48 ILE HD1 . 11288 1 512 . 1 1 48 48 ILE HD12 H 1 0.897 0.030 . 1 . . . . 48 ILE HD1 . 11288 1 513 . 1 1 48 48 ILE HD13 H 1 0.897 0.030 . 1 . . . . 48 ILE HD1 . 11288 1 514 . 1 1 48 48 ILE HG12 H 1 1.755 0.030 . 2 . . . . 48 ILE HG12 . 11288 1 515 . 1 1 48 48 ILE HG13 H 1 1.005 0.030 . 2 . . . . 48 ILE HG13 . 11288 1 516 . 1 1 48 48 ILE HG21 H 1 0.321 0.030 . 1 . . . . 48 ILE HG2 . 11288 1 517 . 1 1 48 48 ILE HG22 H 1 0.321 0.030 . 1 . . . . 48 ILE HG2 . 11288 1 518 . 1 1 48 48 ILE HG23 H 1 0.321 0.030 . 1 . . . . 48 ILE HG2 . 11288 1 519 . 1 1 48 48 ILE C C 13 176.520 0.300 . 1 . . . . 48 ILE C . 11288 1 520 . 1 1 48 48 ILE CA C 13 62.581 0.300 . 1 . . . . 48 ILE CA . 11288 1 521 . 1 1 48 48 ILE CB C 13 37.950 0.300 . 1 . . . . 48 ILE CB . 11288 1 522 . 1 1 48 48 ILE CD1 C 13 13.648 0.300 . 1 . . . . 48 ILE CD1 . 11288 1 523 . 1 1 48 48 ILE CG1 C 13 29.377 0.300 . 1 . . . . 48 ILE CG1 . 11288 1 524 . 1 1 48 48 ILE CG2 C 13 17.166 0.300 . 1 . . . . 48 ILE CG2 . 11288 1 525 . 1 1 48 48 ILE N N 15 122.799 0.300 . 1 . . . . 48 ILE N . 11288 1 526 . 1 1 49 49 GLN H H 1 8.947 0.030 . 1 . . . . 49 GLN H . 11288 1 527 . 1 1 49 49 GLN HA H 1 4.348 0.030 . 1 . . . . 49 GLN HA . 11288 1 528 . 1 1 49 49 GLN HB2 H 1 2.044 0.030 . 2 . . . . 49 GLN HB2 . 11288 1 529 . 1 1 49 49 GLN HB3 H 1 1.632 0.030 . 2 . . . . 49 GLN HB3 . 11288 1 530 . 1 1 49 49 GLN HE21 H 1 7.512 0.030 . 2 . . . . 49 GLN HE21 . 11288 1 531 . 1 1 49 49 GLN HE22 H 1 6.722 0.030 . 2 . . . . 49 GLN HE22 . 11288 1 532 . 1 1 49 49 GLN HG2 H 1 2.333 0.030 . 1 . . . . 49 GLN HG2 . 11288 1 533 . 1 1 49 49 GLN HG3 H 1 2.333 0.030 . 1 . . . . 49 GLN HG3 . 11288 1 534 . 1 1 49 49 GLN C C 13 175.610 0.300 . 1 . . . . 49 GLN C . 11288 1 535 . 1 1 49 49 GLN CA C 13 56.095 0.300 . 1 . . . . 49 GLN CA . 11288 1 536 . 1 1 49 49 GLN CB C 13 30.444 0.300 . 1 . . . . 49 GLN CB . 11288 1 537 . 1 1 49 49 GLN CG C 13 32.797 0.300 . 1 . . . . 49 GLN CG . 11288 1 538 . 1 1 49 49 GLN N N 15 127.341 0.300 . 1 . . . . 49 GLN N . 11288 1 539 . 1 1 49 49 GLN NE2 N 15 111.629 0.300 . 1 . . . . 49 GLN NE2 . 11288 1 540 . 1 1 50 50 ASN H H 1 7.318 0.030 . 1 . . . . 50 ASN H . 11288 1 541 . 1 1 50 50 ASN HA H 1 4.522 0.030 . 1 . . . . 50 ASN HA . 11288 1 542 . 1 1 50 50 ASN HB2 H 1 2.585 0.030 . 2 . . . . 50 ASN HB2 . 11288 1 543 . 1 1 50 50 ASN HB3 H 1 2.216 0.030 . 2 . . . . 50 ASN HB3 . 11288 1 544 . 1 1 50 50 ASN HD21 H 1 7.060 0.030 . 2 . . . . 50 ASN HD21 . 11288 1 545 . 1 1 50 50 ASN HD22 H 1 6.754 0.030 . 2 . . . . 50 ASN HD22 . 11288 1 546 . 1 1 50 50 ASN C C 13 171.834 0.300 . 1 . . . . 50 ASN C . 11288 1 547 . 1 1 50 50 ASN CA C 13 52.997 0.300 . 1 . . . . 50 ASN CA . 11288 1 548 . 1 1 50 50 ASN CB C 13 42.860 0.300 . 1 . . . . 50 ASN CB . 11288 1 549 . 1 1 50 50 ASN N N 15 111.688 0.300 . 1 . . . . 50 ASN N . 11288 1 550 . 1 1 50 50 ASN ND2 N 15 112.984 0.300 . 1 . . . . 50 ASN ND2 . 11288 1 551 . 1 1 51 51 PHE H H 1 9.205 0.030 . 1 . . . . 51 PHE H . 11288 1 552 . 1 1 51 51 PHE HA H 1 5.172 0.030 . 1 . . . . 51 PHE HA . 11288 1 553 . 1 1 51 51 PHE HB2 H 1 3.227 0.030 . 2 . . . . 51 PHE HB2 . 11288 1 554 . 1 1 51 51 PHE HB3 H 1 3.125 0.030 . 2 . . . . 51 PHE HB3 . 11288 1 555 . 1 1 51 51 PHE HD1 H 1 7.613 0.030 . 1 . . . . 51 PHE HD1 . 11288 1 556 . 1 1 51 51 PHE HD2 H 1 7.613 0.030 . 1 . . . . 51 PHE HD2 . 11288 1 557 . 1 1 51 51 PHE HE1 H 1 7.412 0.030 . 1 . . . . 51 PHE HE1 . 11288 1 558 . 1 1 51 51 PHE HE2 H 1 7.412 0.030 . 1 . . . . 51 PHE HE2 . 11288 1 559 . 1 1 51 51 PHE HZ H 1 7.366 0.030 . 1 . . . . 51 PHE HZ . 11288 1 560 . 1 1 51 51 PHE C C 13 174.954 0.300 . 1 . . . . 51 PHE C . 11288 1 561 . 1 1 51 51 PHE CA C 13 57.186 0.300 . 1 . . . . 51 PHE CA . 11288 1 562 . 1 1 51 51 PHE CB C 13 42.152 0.300 . 1 . . . . 51 PHE CB . 11288 1 563 . 1 1 51 51 PHE CD1 C 13 133.295 0.300 . 1 . . . . 51 PHE CD1 . 11288 1 564 . 1 1 51 51 PHE CD2 C 13 133.295 0.300 . 1 . . . . 51 PHE CD2 . 11288 1 565 . 1 1 51 51 PHE CE1 C 13 131.426 0.300 . 1 . . . . 51 PHE CE1 . 11288 1 566 . 1 1 51 51 PHE CE2 C 13 131.426 0.300 . 1 . . . . 51 PHE CE2 . 11288 1 567 . 1 1 51 51 PHE CZ C 13 128.917 0.300 . 1 . . . . 51 PHE CZ . 11288 1 568 . 1 1 51 51 PHE N N 15 118.000 0.300 . 1 . . . . 51 PHE N . 11288 1 569 . 1 1 52 52 VAL H H 1 8.368 0.030 . 1 . . . . 52 VAL H . 11288 1 570 . 1 1 52 52 VAL HA H 1 4.513 0.030 . 1 . . . . 52 VAL HA . 11288 1 571 . 1 1 52 52 VAL HB H 1 2.234 0.030 . 1 . . . . 52 VAL HB . 11288 1 572 . 1 1 52 52 VAL HG11 H 1 0.980 0.030 . 1 . . . . 52 VAL HG1 . 11288 1 573 . 1 1 52 52 VAL HG12 H 1 0.980 0.030 . 1 . . . . 52 VAL HG1 . 11288 1 574 . 1 1 52 52 VAL HG13 H 1 0.980 0.030 . 1 . . . . 52 VAL HG1 . 11288 1 575 . 1 1 52 52 VAL HG21 H 1 0.728 0.030 . 1 . . . . 52 VAL HG2 . 11288 1 576 . 1 1 52 52 VAL HG22 H 1 0.728 0.030 . 1 . . . . 52 VAL HG2 . 11288 1 577 . 1 1 52 52 VAL HG23 H 1 0.728 0.030 . 1 . . . . 52 VAL HG2 . 11288 1 578 . 1 1 52 52 VAL C C 13 174.190 0.300 . 1 . . . . 52 VAL C . 11288 1 579 . 1 1 52 52 VAL CA C 13 62.325 0.300 . 1 . . . . 52 VAL CA . 11288 1 580 . 1 1 52 52 VAL CB C 13 33.209 0.300 . 1 . . . . 52 VAL CB . 11288 1 581 . 1 1 52 52 VAL CG1 C 13 21.574 0.300 . 2 . . . . 52 VAL CG1 . 11288 1 582 . 1 1 52 52 VAL CG2 C 13 20.920 0.300 . 2 . . . . 52 VAL CG2 . 11288 1 583 . 1 1 52 52 VAL N N 15 119.321 0.300 . 1 . . . . 52 VAL N . 11288 1 584 . 1 1 53 53 LEU H H 1 9.381 0.030 . 1 . . . . 53 LEU H . 11288 1 585 . 1 1 53 53 LEU HA H 1 5.088 0.030 . 1 . . . . 53 LEU HA . 11288 1 586 . 1 1 53 53 LEU HB2 H 1 2.100 0.030 . 2 . . . . 53 LEU HB2 . 11288 1 587 . 1 1 53 53 LEU HB3 H 1 0.772 0.030 . 2 . . . . 53 LEU HB3 . 11288 1 588 . 1 1 53 53 LEU HD11 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 11288 1 589 . 1 1 53 53 LEU HD12 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 11288 1 590 . 1 1 53 53 LEU HD13 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 11288 1 591 . 1 1 53 53 LEU HD21 H 1 0.912 0.030 . 1 . . . . 53 LEU HD2 . 11288 1 592 . 1 1 53 53 LEU HD22 H 1 0.912 0.030 . 1 . . . . 53 LEU HD2 . 11288 1 593 . 1 1 53 53 LEU HD23 H 1 0.912 0.030 . 1 . . . . 53 LEU HD2 . 11288 1 594 . 1 1 53 53 LEU HG H 1 1.567 0.030 . 1 . . . . 53 LEU HG . 11288 1 595 . 1 1 53 53 LEU C C 13 175.525 0.300 . 1 . . . . 53 LEU C . 11288 1 596 . 1 1 53 53 LEU CA C 13 53.088 0.300 . 1 . . . . 53 LEU CA . 11288 1 597 . 1 1 53 53 LEU CB C 13 44.705 0.300 . 1 . . . . 53 LEU CB . 11288 1 598 . 1 1 53 53 LEU CD1 C 13 23.512 0.300 . 2 . . . . 53 LEU CD1 . 11288 1 599 . 1 1 53 53 LEU CD2 C 13 26.829 0.300 . 2 . . . . 53 LEU CD2 . 11288 1 600 . 1 1 53 53 LEU CG C 13 27.773 0.300 . 1 . . . . 53 LEU CG . 11288 1 601 . 1 1 53 53 LEU N N 15 129.281 0.300 . 1 . . . . 53 LEU N . 11288 1 602 . 1 1 54 54 GLU H H 1 9.414 0.030 . 1 . . . . 54 GLU H . 11288 1 603 . 1 1 54 54 GLU HA H 1 5.476 0.030 . 1 . . . . 54 GLU HA . 11288 1 604 . 1 1 54 54 GLU HB2 H 1 2.025 0.030 . 2 . . . . 54 GLU HB2 . 11288 1 605 . 1 1 54 54 GLU HB3 H 1 1.611 0.030 . 2 . . . . 54 GLU HB3 . 11288 1 606 . 1 1 54 54 GLU HG2 H 1 2.228 0.030 . 2 . . . . 54 GLU HG2 . 11288 1 607 . 1 1 54 54 GLU HG3 H 1 1.847 0.030 . 2 . . . . 54 GLU HG3 . 11288 1 608 . 1 1 54 54 GLU C C 13 175.391 0.300 . 1 . . . . 54 GLU C . 11288 1 609 . 1 1 54 54 GLU CA C 13 54.538 0.300 . 1 . . . . 54 GLU CA . 11288 1 610 . 1 1 54 54 GLU CB C 13 35.050 0.300 . 1 . . . . 54 GLU CB . 11288 1 611 . 1 1 54 54 GLU CG C 13 37.358 0.300 . 1 . . . . 54 GLU CG . 11288 1 612 . 1 1 54 54 GLU N N 15 126.953 0.300 . 1 . . . . 54 GLU N . 11288 1 613 . 1 1 55 55 TRP H H 1 9.961 0.030 . 1 . . . . 55 TRP H . 11288 1 614 . 1 1 55 55 TRP HA H 1 6.413 0.030 . 1 . . . . 55 TRP HA . 11288 1 615 . 1 1 55 55 TRP HB2 H 1 3.305 0.030 . 2 . . . . 55 TRP HB2 . 11288 1 616 . 1 1 55 55 TRP HB3 H 1 3.146 0.030 . 2 . . . . 55 TRP HB3 . 11288 1 617 . 1 1 55 55 TRP HD1 H 1 7.625 0.030 . 1 . . . . 55 TRP HD1 . 11288 1 618 . 1 1 55 55 TRP HE1 H 1 10.903 0.030 . 1 . . . . 55 TRP HE1 . 11288 1 619 . 1 1 55 55 TRP HE3 H 1 7.188 0.030 . 1 . . . . 55 TRP HE3 . 11288 1 620 . 1 1 55 55 TRP HH2 H 1 7.244 0.030 . 1 . . . . 55 TRP HH2 . 11288 1 621 . 1 1 55 55 TRP HZ2 H 1 7.703 0.030 . 1 . . . . 55 TRP HZ2 . 11288 1 622 . 1 1 55 55 TRP HZ3 H 1 7.348 0.030 . 1 . . . . 55 TRP HZ3 . 11288 1 623 . 1 1 55 55 TRP C C 13 174.578 0.300 . 1 . . . . 55 TRP C . 11288 1 624 . 1 1 55 55 TRP CA C 13 54.432 0.300 . 1 . . . . 55 TRP CA . 11288 1 625 . 1 1 55 55 TRP CB C 13 33.933 0.300 . 1 . . . . 55 TRP CB . 11288 1 626 . 1 1 55 55 TRP CD1 C 13 126.662 0.300 . 1 . . . . 55 TRP CD1 . 11288 1 627 . 1 1 55 55 TRP CE3 C 13 119.093 0.300 . 1 . . . . 55 TRP CE3 . 11288 1 628 . 1 1 55 55 TRP CH2 C 13 125.418 0.300 . 1 . . . . 55 TRP CH2 . 11288 1 629 . 1 1 55 55 TRP CZ2 C 13 115.603 0.300 . 1 . . . . 55 TRP CZ2 . 11288 1 630 . 1 1 55 55 TRP CZ3 C 13 123.586 0.300 . 1 . . . . 55 TRP CZ3 . 11288 1 631 . 1 1 55 55 TRP N N 15 118.333 0.300 . 1 . . . . 55 TRP N . 11288 1 632 . 1 1 55 55 TRP NE1 N 15 133.630 0.300 . 1 . . . . 55 TRP NE1 . 11288 1 633 . 1 1 56 56 ASP H H 1 8.030 0.030 . 1 . . . . 56 ASP H . 11288 1 634 . 1 1 56 56 ASP HA H 1 4.638 0.030 . 1 . . . . 56 ASP HA . 11288 1 635 . 1 1 56 56 ASP HB2 H 1 2.614 0.030 . 2 . . . . 56 ASP HB2 . 11288 1 636 . 1 1 56 56 ASP HB3 H 1 1.187 0.030 . 2 . . . . 56 ASP HB3 . 11288 1 637 . 1 1 56 56 ASP C C 13 177.941 0.300 . 1 . . . . 56 ASP C . 11288 1 638 . 1 1 56 56 ASP CA C 13 51.483 0.300 . 1 . . . . 56 ASP CA . 11288 1 639 . 1 1 56 56 ASP CB C 13 41.474 0.300 . 1 . . . . 56 ASP CB . 11288 1 640 . 1 1 56 56 ASP N N 15 118.556 0.300 . 1 . . . . 56 ASP N . 11288 1 641 . 1 1 57 57 GLU H H 1 5.614 0.030 . 1 . . . . 57 GLU H . 11288 1 642 . 1 1 57 57 GLU HA H 1 0.433 0.030 . 1 . . . . 57 GLU HA . 11288 1 643 . 1 1 57 57 GLU HB2 H 1 1.734 0.030 . 2 . . . . 57 GLU HB2 . 11288 1 644 . 1 1 57 57 GLU HB3 H 1 1.601 0.030 . 2 . . . . 57 GLU HB3 . 11288 1 645 . 1 1 57 57 GLU HG2 H 1 1.380 0.030 . 2 . . . . 57 GLU HG2 . 11288 1 646 . 1 1 57 57 GLU HG3 H 1 1.157 0.030 . 2 . . . . 57 GLU HG3 . 11288 1 647 . 1 1 57 57 GLU C C 13 175.051 0.300 . 1 . . . . 57 GLU C . 11288 1 648 . 1 1 57 57 GLU CA C 13 55.763 0.300 . 1 . . . . 57 GLU CA . 11288 1 649 . 1 1 57 57 GLU CB C 13 28.593 0.300 . 1 . . . . 57 GLU CB . 11288 1 650 . 1 1 57 57 GLU CG C 13 37.121 0.300 . 1 . . . . 57 GLU CG . 11288 1 651 . 1 1 57 57 GLU N N 15 110.175 0.300 . 1 . . . . 57 GLU N . 11288 1 652 . 1 1 58 58 GLY H H 1 7.984 0.030 . 1 . . . . 58 GLY H . 11288 1 653 . 1 1 58 58 GLY HA2 H 1 4.176 0.030 . 2 . . . . 58 GLY HA2 . 11288 1 654 . 1 1 58 58 GLY HA3 H 1 3.828 0.030 . 2 . . . . 58 GLY HA3 . 11288 1 655 . 1 1 58 58 GLY C C 13 176.035 0.300 . 1 . . . . 58 GLY C . 11288 1 656 . 1 1 58 58 GLY CA C 13 46.112 0.300 . 1 . . . . 58 GLY CA . 11288 1 657 . 1 1 58 58 GLY N N 15 105.166 0.300 . 1 . . . . 58 GLY N . 11288 1 658 . 1 1 59 59 LYS H H 1 7.627 0.030 . 1 . . . . 59 LYS H . 11288 1 659 . 1 1 59 59 LYS HA H 1 3.885 0.030 . 1 . . . . 59 LYS HA . 11288 1 660 . 1 1 59 59 LYS HB2 H 1 1.677 0.030 . 2 . . . . 59 LYS HB2 . 11288 1 661 . 1 1 59 59 LYS HB3 H 1 1.619 0.030 . 2 . . . . 59 LYS HB3 . 11288 1 662 . 1 1 59 59 LYS HD2 H 1 1.532 0.030 . 2 . . . . 59 LYS HD2 . 11288 1 663 . 1 1 59 59 LYS HD3 H 1 1.482 0.030 . 2 . . . . 59 LYS HD3 . 11288 1 664 . 1 1 59 59 LYS HE2 H 1 2.839 0.030 . 2 . . . . 59 LYS HE2 . 11288 1 665 . 1 1 59 59 LYS HE3 H 1 2.727 0.030 . 2 . . . . 59 LYS HE3 . 11288 1 666 . 1 1 59 59 LYS HG2 H 1 1.213 0.030 . 1 . . . . 59 LYS HG2 . 11288 1 667 . 1 1 59 59 LYS HG3 H 1 1.213 0.030 . 1 . . . . 59 LYS HG3 . 11288 1 668 . 1 1 59 59 LYS C C 13 179.046 0.300 . 1 . . . . 59 LYS C . 11288 1 669 . 1 1 59 59 LYS CA C 13 58.231 0.300 . 1 . . . . 59 LYS CA . 11288 1 670 . 1 1 59 59 LYS CB C 13 33.338 0.300 . 1 . . . . 59 LYS CB . 11288 1 671 . 1 1 59 59 LYS CD C 13 29.012 0.300 . 1 . . . . 59 LYS CD . 11288 1 672 . 1 1 59 59 LYS CE C 13 42.056 0.300 . 1 . . . . 59 LYS CE . 11288 1 673 . 1 1 59 59 LYS CG C 13 26.217 0.300 . 1 . . . . 59 LYS CG . 11288 1 674 . 1 1 59 59 LYS N N 15 118.002 0.300 . 1 . . . . 59 LYS N . 11288 1 675 . 1 1 60 60 GLY H H 1 7.563 0.030 . 1 . . . . 60 GLY H . 11288 1 676 . 1 1 60 60 GLY HA2 H 1 3.812 0.030 . 2 . . . . 60 GLY HA2 . 11288 1 677 . 1 1 60 60 GLY HA3 H 1 3.608 0.030 . 2 . . . . 60 GLY HA3 . 11288 1 678 . 1 1 60 60 GLY C C 13 174.128 0.300 . 1 . . . . 60 GLY C . 11288 1 679 . 1 1 60 60 GLY CA C 13 46.835 0.300 . 1 . . . . 60 GLY CA . 11288 1 680 . 1 1 60 60 GLY N N 15 104.463 0.300 . 1 . . . . 60 GLY N . 11288 1 681 . 1 1 61 61 ASN H H 1 7.319 0.030 . 1 . . . . 61 ASN H . 11288 1 682 . 1 1 61 61 ASN HA H 1 4.704 0.030 . 1 . . . . 61 ASN HA . 11288 1 683 . 1 1 61 61 ASN HB2 H 1 3.060 0.030 . 2 . . . . 61 ASN HB2 . 11288 1 684 . 1 1 61 61 ASN HB3 H 1 2.531 0.030 . 2 . . . . 61 ASN HB3 . 11288 1 685 . 1 1 61 61 ASN HD21 H 1 7.380 0.030 . 2 . . . . 61 ASN HD21 . 11288 1 686 . 1 1 61 61 ASN HD22 H 1 6.688 0.030 . 2 . . . . 61 ASN HD22 . 11288 1 687 . 1 1 61 61 ASN C C 13 176.581 0.300 . 1 . . . . 61 ASN C . 11288 1 688 . 1 1 61 61 ASN CA C 13 51.819 0.300 . 1 . . . . 61 ASN CA . 11288 1 689 . 1 1 61 61 ASN CB C 13 38.885 0.300 . 1 . . . . 61 ASN CB . 11288 1 690 . 1 1 61 61 ASN N N 15 115.175 0.300 . 1 . . . . 61 ASN N . 11288 1 691 . 1 1 61 61 ASN ND2 N 15 109.764 0.300 . 1 . . . . 61 ASN ND2 . 11288 1 692 . 1 1 62 62 GLY H H 1 9.161 0.030 . 1 . . . . 62 GLY H . 11288 1 693 . 1 1 62 62 GLY HA2 H 1 3.965 0.030 . 2 . . . . 62 GLY HA2 . 11288 1 694 . 1 1 62 62 GLY HA3 H 1 3.544 0.030 . 2 . . . . 62 GLY HA3 . 11288 1 695 . 1 1 62 62 GLY C C 13 173.485 0.300 . 1 . . . . 62 GLY C . 11288 1 696 . 1 1 62 62 GLY CA C 13 45.619 0.300 . 1 . . . . 62 GLY CA . 11288 1 697 . 1 1 62 62 GLY N N 15 109.814 0.300 . 1 . . . . 62 GLY N . 11288 1 698 . 1 1 63 63 GLU H H 1 7.182 0.030 . 1 . . . . 63 GLU H . 11288 1 699 . 1 1 63 63 GLU HA H 1 4.363 0.030 . 1 . . . . 63 GLU HA . 11288 1 700 . 1 1 63 63 GLU HB2 H 1 1.773 0.030 . 2 . . . . 63 GLU HB2 . 11288 1 701 . 1 1 63 63 GLU HB3 H 1 1.738 0.030 . 2 . . . . 63 GLU HB3 . 11288 1 702 . 1 1 63 63 GLU HG2 H 1 2.002 0.030 . 2 . . . . 63 GLU HG2 . 11288 1 703 . 1 1 63 63 GLU HG3 H 1 1.976 0.030 . 2 . . . . 63 GLU HG3 . 11288 1 704 . 1 1 63 63 GLU C C 13 174.772 0.300 . 1 . . . . 63 GLU C . 11288 1 705 . 1 1 63 63 GLU CA C 13 54.959 0.300 . 1 . . . . 63 GLU CA . 11288 1 706 . 1 1 63 63 GLU CB C 13 29.676 0.300 . 1 . . . . 63 GLU CB . 11288 1 707 . 1 1 63 63 GLU CG C 13 35.792 0.300 . 1 . . . . 63 GLU CG . 11288 1 708 . 1 1 63 63 GLU N N 15 119.743 0.300 . 1 . . . . 63 GLU N . 11288 1 709 . 1 1 64 64 PHE H H 1 8.287 0.030 . 1 . . . . 64 PHE H . 11288 1 710 . 1 1 64 64 PHE HA H 1 4.642 0.030 . 1 . . . . 64 PHE HA . 11288 1 711 . 1 1 64 64 PHE HB2 H 1 2.716 0.030 . 2 . . . . 64 PHE HB2 . 11288 1 712 . 1 1 64 64 PHE HB3 H 1 2.572 0.030 . 2 . . . . 64 PHE HB3 . 11288 1 713 . 1 1 64 64 PHE HD1 H 1 6.735 0.030 . 1 . . . . 64 PHE HD1 . 11288 1 714 . 1 1 64 64 PHE HD2 H 1 6.735 0.030 . 1 . . . . 64 PHE HD2 . 11288 1 715 . 1 1 64 64 PHE HE1 H 1 6.856 0.030 . 1 . . . . 64 PHE HE1 . 11288 1 716 . 1 1 64 64 PHE HE2 H 1 6.856 0.030 . 1 . . . . 64 PHE HE2 . 11288 1 717 . 1 1 64 64 PHE HZ H 1 6.826 0.030 . 1 . . . . 64 PHE HZ . 11288 1 718 . 1 1 64 64 PHE C C 13 176.120 0.300 . 1 . . . . 64 PHE C . 11288 1 719 . 1 1 64 64 PHE CA C 13 57.586 0.300 . 1 . . . . 64 PHE CA . 11288 1 720 . 1 1 64 64 PHE CB C 13 42.772 0.300 . 1 . . . . 64 PHE CB . 11288 1 721 . 1 1 64 64 PHE CD1 C 13 130.867 0.300 . 1 . . . . 64 PHE CD1 . 11288 1 722 . 1 1 64 64 PHE CD2 C 13 130.867 0.300 . 1 . . . . 64 PHE CD2 . 11288 1 723 . 1 1 64 64 PHE CE1 C 13 130.730 0.300 . 1 . . . . 64 PHE CE1 . 11288 1 724 . 1 1 64 64 PHE CE2 C 13 130.730 0.300 . 1 . . . . 64 PHE CE2 . 11288 1 725 . 1 1 64 64 PHE CZ C 13 128.471 0.300 . 1 . . . . 64 PHE CZ . 11288 1 726 . 1 1 64 64 PHE N N 15 120.978 0.300 . 1 . . . . 64 PHE N . 11288 1 727 . 1 1 65 65 CYS H H 1 9.579 0.030 . 1 . . . . 65 CYS H . 11288 1 728 . 1 1 65 65 CYS HA H 1 5.080 0.030 . 1 . . . . 65 CYS HA . 11288 1 729 . 1 1 65 65 CYS HB2 H 1 3.057 0.030 . 1 . . . . 65 CYS HB2 . 11288 1 730 . 1 1 65 65 CYS HB3 H 1 3.057 0.030 . 1 . . . . 65 CYS HB3 . 11288 1 731 . 1 1 65 65 CYS C C 13 174.140 0.300 . 1 . . . . 65 CYS C . 11288 1 732 . 1 1 65 65 CYS CA C 13 55.442 0.300 . 1 . . . . 65 CYS CA . 11288 1 733 . 1 1 65 65 CYS CB C 13 31.563 0.300 . 1 . . . . 65 CYS CB . 11288 1 734 . 1 1 65 65 CYS N N 15 116.124 0.300 . 1 . . . . 65 CYS N . 11288 1 735 . 1 1 66 66 GLN H H 1 9.135 0.030 . 1 . . . . 66 GLN H . 11288 1 736 . 1 1 66 66 GLN HA H 1 4.307 0.030 . 1 . . . . 66 GLN HA . 11288 1 737 . 1 1 66 66 GLN HB2 H 1 2.279 0.030 . 2 . . . . 66 GLN HB2 . 11288 1 738 . 1 1 66 66 GLN HB3 H 1 2.036 0.030 . 2 . . . . 66 GLN HB3 . 11288 1 739 . 1 1 66 66 GLN HE21 H 1 7.677 0.030 . 2 . . . . 66 GLN HE21 . 11288 1 740 . 1 1 66 66 GLN HE22 H 1 6.707 0.030 . 2 . . . . 66 GLN HE22 . 11288 1 741 . 1 1 66 66 GLN HG2 H 1 2.269 0.030 . 2 . . . . 66 GLN HG2 . 11288 1 742 . 1 1 66 66 GLN HG3 H 1 2.100 0.030 . 2 . . . . 66 GLN HG3 . 11288 1 743 . 1 1 66 66 GLN C C 13 175.428 0.300 . 1 . . . . 66 GLN C . 11288 1 744 . 1 1 66 66 GLN CA C 13 58.904 0.300 . 1 . . . . 66 GLN CA . 11288 1 745 . 1 1 66 66 GLN CB C 13 30.178 0.300 . 1 . . . . 66 GLN CB . 11288 1 746 . 1 1 66 66 GLN CG C 13 35.050 0.300 . 1 . . . . 66 GLN CG . 11288 1 747 . 1 1 66 66 GLN N N 15 122.759 0.300 . 1 . . . . 66 GLN N . 11288 1 748 . 1 1 66 66 GLN NE2 N 15 111.841 0.300 . 1 . . . . 66 GLN NE2 . 11288 1 749 . 1 1 67 67 CYS H H 1 9.491 0.030 . 1 . . . . 67 CYS H . 11288 1 750 . 1 1 67 67 CYS HA H 1 4.814 0.030 . 1 . . . . 67 CYS HA . 11288 1 751 . 1 1 67 67 CYS HB2 H 1 2.444 0.030 . 2 . . . . 67 CYS HB2 . 11288 1 752 . 1 1 67 67 CYS HB3 H 1 2.843 0.030 . 2 . . . . 67 CYS HB3 . 11288 1 753 . 1 1 67 67 CYS C C 13 173.145 0.300 . 1 . . . . 67 CYS C . 11288 1 754 . 1 1 67 67 CYS CA C 13 58.012 0.300 . 1 . . . . 67 CYS CA . 11288 1 755 . 1 1 67 67 CYS CB C 13 29.473 0.300 . 1 . . . . 67 CYS CB . 11288 1 756 . 1 1 67 67 CYS N N 15 122.698 0.300 . 1 . . . . 67 CYS N . 11288 1 757 . 1 1 68 68 TYR H H 1 7.874 0.030 . 1 . . . . 68 TYR H . 11288 1 758 . 1 1 68 68 TYR HA H 1 4.295 0.030 . 1 . . . . 68 TYR HA . 11288 1 759 . 1 1 68 68 TYR HB2 H 1 1.955 0.030 . 2 . . . . 68 TYR HB2 . 11288 1 760 . 1 1 68 68 TYR HB3 H 1 1.770 0.030 . 2 . . . . 68 TYR HB3 . 11288 1 761 . 1 1 68 68 TYR HD1 H 1 6.704 0.030 . 1 . . . . 68 TYR HD1 . 11288 1 762 . 1 1 68 68 TYR HD2 H 1 6.704 0.030 . 1 . . . . 68 TYR HD2 . 11288 1 763 . 1 1 68 68 TYR HE1 H 1 7.011 0.030 . 1 . . . . 68 TYR HE1 . 11288 1 764 . 1 1 68 68 TYR HE2 H 1 7.011 0.030 . 1 . . . . 68 TYR HE2 . 11288 1 765 . 1 1 68 68 TYR C C 13 171.967 0.300 . 1 . . . . 68 TYR C . 11288 1 766 . 1 1 68 68 TYR CA C 13 58.690 0.300 . 1 . . . . 68 TYR CA . 11288 1 767 . 1 1 68 68 TYR CB C 13 41.401 0.300 . 1 . . . . 68 TYR CB . 11288 1 768 . 1 1 68 68 TYR CD1 C 13 132.648 0.300 . 1 . . . . 68 TYR CD1 . 11288 1 769 . 1 1 68 68 TYR CD2 C 13 132.648 0.300 . 1 . . . . 68 TYR CD2 . 11288 1 770 . 1 1 68 68 TYR CE1 C 13 118.002 0.300 . 1 . . . . 68 TYR CE1 . 11288 1 771 . 1 1 68 68 TYR CE2 C 13 118.002 0.300 . 1 . . . . 68 TYR CE2 . 11288 1 772 . 1 1 68 68 TYR N N 15 120.139 0.300 . 1 . . . . 68 TYR N . 11288 1 773 . 1 1 69 69 MET H H 1 7.338 0.030 . 1 . . . . 69 MET H . 11288 1 774 . 1 1 69 69 MET HA H 1 5.048 0.030 . 1 . . . . 69 MET HA . 11288 1 775 . 1 1 69 69 MET HB2 H 1 1.787 0.030 . 2 . . . . 69 MET HB2 . 11288 1 776 . 1 1 69 69 MET HB3 H 1 1.730 0.030 . 2 . . . . 69 MET HB3 . 11288 1 777 . 1 1 69 69 MET HE1 H 1 1.935 0.030 . 1 . . . . 69 MET HE . 11288 1 778 . 1 1 69 69 MET HE2 H 1 1.935 0.030 . 1 . . . . 69 MET HE . 11288 1 779 . 1 1 69 69 MET HE3 H 1 1.935 0.030 . 1 . . . . 69 MET HE . 11288 1 780 . 1 1 69 69 MET HG2 H 1 2.384 0.030 . 2 . . . . 69 MET HG2 . 11288 1 781 . 1 1 69 69 MET HG3 H 1 2.193 0.030 . 2 . . . . 69 MET HG3 . 11288 1 782 . 1 1 69 69 MET C C 13 173.788 0.300 . 1 . . . . 69 MET C . 11288 1 783 . 1 1 69 69 MET CA C 13 54.387 0.300 . 1 . . . . 69 MET CA . 11288 1 784 . 1 1 69 69 MET CB C 13 35.002 0.300 . 1 . . . . 69 MET CB . 11288 1 785 . 1 1 69 69 MET CE C 13 17.214 0.300 . 1 . . . . 69 MET CE . 11288 1 786 . 1 1 69 69 MET CG C 13 31.839 0.300 . 1 . . . . 69 MET CG . 11288 1 787 . 1 1 69 69 MET N N 15 127.931 0.300 . 1 . . . . 69 MET N . 11288 1 788 . 1 1 70 70 GLY H H 1 8.125 0.030 . 1 . . . . 70 GLY H . 11288 1 789 . 1 1 70 70 GLY HA2 H 1 4.512 0.030 . 2 . . . . 70 GLY HA2 . 11288 1 790 . 1 1 70 70 GLY HA3 H 1 4.195 0.030 . 2 . . . . 70 GLY HA3 . 11288 1 791 . 1 1 70 70 GLY C C 13 173.801 0.300 . 1 . . . . 70 GLY C . 11288 1 792 . 1 1 70 70 GLY CA C 13 45.898 0.300 . 1 . . . . 70 GLY CA . 11288 1 793 . 1 1 70 70 GLY N N 15 113.166 0.300 . 1 . . . . 70 GLY N . 11288 1 794 . 1 1 71 71 SER H H 1 9.106 0.030 . 1 . . . . 71 SER H . 11288 1 795 . 1 1 71 71 SER HA H 1 4.836 0.030 . 1 . . . . 71 SER HA . 11288 1 796 . 1 1 71 71 SER HB2 H 1 4.232 0.030 . 2 . . . . 71 SER HB2 . 11288 1 797 . 1 1 71 71 SER HB3 H 1 4.092 0.030 . 2 . . . . 71 SER HB3 . 11288 1 798 . 1 1 71 71 SER C C 13 175.573 0.300 . 1 . . . . 71 SER C . 11288 1 799 . 1 1 71 71 SER CA C 13 59.369 0.300 . 1 . . . . 71 SER CA . 11288 1 800 . 1 1 71 71 SER CB C 13 64.451 0.300 . 1 . . . . 71 SER CB . 11288 1 801 . 1 1 71 71 SER N N 15 114.242 0.300 . 1 . . . . 71 SER N . 11288 1 802 . 1 1 72 72 GLN H H 1 8.430 0.030 . 1 . . . . 72 GLN H . 11288 1 803 . 1 1 72 72 GLN HA H 1 4.385 0.030 . 1 . . . . 72 GLN HA . 11288 1 804 . 1 1 72 72 GLN HB2 H 1 2.332 0.030 . 2 . . . . 72 GLN HB2 . 11288 1 805 . 1 1 72 72 GLN HB3 H 1 2.246 0.030 . 2 . . . . 72 GLN HB3 . 11288 1 806 . 1 1 72 72 GLN HE21 H 1 7.665 0.030 . 2 . . . . 72 GLN HE21 . 11288 1 807 . 1 1 72 72 GLN HE22 H 1 7.064 0.030 . 2 . . . . 72 GLN HE22 . 11288 1 808 . 1 1 72 72 GLN HG2 H 1 2.640 0.030 . 2 . . . . 72 GLN HG2 . 11288 1 809 . 1 1 72 72 GLN HG3 H 1 2.580 0.030 . 2 . . . . 72 GLN HG3 . 11288 1 810 . 1 1 72 72 GLN C C 13 173.594 0.300 . 1 . . . . 72 GLN C . 11288 1 811 . 1 1 72 72 GLN CA C 13 56.374 0.300 . 1 . . . . 72 GLN CA . 11288 1 812 . 1 1 72 72 GLN CB C 13 29.458 0.300 . 1 . . . . 72 GLN CB . 11288 1 813 . 1 1 72 72 GLN CG C 13 34.944 0.300 . 1 . . . . 72 GLN CG . 11288 1 814 . 1 1 72 72 GLN N N 15 120.498 0.300 . 1 . . . . 72 GLN N . 11288 1 815 . 1 1 72 72 GLN NE2 N 15 113.576 0.300 . 1 . . . . 72 GLN NE2 . 11288 1 816 . 1 1 73 73 LYS H H 1 7.697 0.030 . 1 . . . . 73 LYS H . 11288 1 817 . 1 1 73 73 LYS HA H 1 3.035 0.030 . 1 . . . . 73 LYS HA . 11288 1 818 . 1 1 73 73 LYS HB2 H 1 1.780 0.030 . 2 . . . . 73 LYS HB2 . 11288 1 819 . 1 1 73 73 LYS HB3 H 1 0.977 0.030 . 2 . . . . 73 LYS HB3 . 11288 1 820 . 1 1 73 73 LYS HD2 H 1 1.807 0.030 . 2 . . . . 73 LYS HD2 . 11288 1 821 . 1 1 73 73 LYS HD3 H 1 1.629 0.030 . 2 . . . . 73 LYS HD3 . 11288 1 822 . 1 1 73 73 LYS HE2 H 1 3.144 0.030 . 2 . . . . 73 LYS HE2 . 11288 1 823 . 1 1 73 73 LYS HE3 H 1 3.094 0.030 . 2 . . . . 73 LYS HE3 . 11288 1 824 . 1 1 73 73 LYS HG2 H 1 0.913 0.030 . 2 . . . . 73 LYS HG2 . 11288 1 825 . 1 1 73 73 LYS HG3 H 1 1.225 0.030 . 2 . . . . 73 LYS HG3 . 11288 1 826 . 1 1 73 73 LYS C C 13 173.654 0.300 . 1 . . . . 73 LYS C . 11288 1 827 . 1 1 73 73 LYS CA C 13 54.269 0.300 . 1 . . . . 73 LYS CA . 11288 1 828 . 1 1 73 73 LYS CB C 13 30.759 0.300 . 1 . . . . 73 LYS CB . 11288 1 829 . 1 1 73 73 LYS CD C 13 29.281 0.300 . 1 . . . . 73 LYS CD . 11288 1 830 . 1 1 73 73 LYS CE C 13 42.092 0.300 . 1 . . . . 73 LYS CE . 11288 1 831 . 1 1 73 73 LYS CG C 13 25.826 0.300 . 1 . . . . 73 LYS CG . 11288 1 832 . 1 1 73 73 LYS N N 15 115.000 0.300 . 1 . . . . 73 LYS N . 11288 1 833 . 1 1 74 74 GLN H H 1 6.337 0.030 . 1 . . . . 74 GLN H . 11288 1 834 . 1 1 74 74 GLN HA H 1 4.286 0.030 . 1 . . . . 74 GLN HA . 11288 1 835 . 1 1 74 74 GLN HB2 H 1 1.645 0.030 . 1 . . . . 74 GLN HB2 . 11288 1 836 . 1 1 74 74 GLN HB3 H 1 1.645 0.030 . 1 . . . . 74 GLN HB3 . 11288 1 837 . 1 1 74 74 GLN HE21 H 1 7.208 0.030 . 2 . . . . 74 GLN HE21 . 11288 1 838 . 1 1 74 74 GLN HE22 H 1 6.598 0.030 . 2 . . . . 74 GLN HE22 . 11288 1 839 . 1 1 74 74 GLN HG2 H 1 1.865 0.030 . 1 . . . . 74 GLN HG2 . 11288 1 840 . 1 1 74 74 GLN HG3 H 1 1.865 0.030 . 1 . . . . 74 GLN HG3 . 11288 1 841 . 1 1 74 74 GLN C C 13 173.704 0.300 . 1 . . . . 74 GLN C . 11288 1 842 . 1 1 74 74 GLN CA C 13 53.662 0.300 . 1 . . . . 74 GLN CA . 11288 1 843 . 1 1 74 74 GLN CB C 13 32.080 0.300 . 1 . . . . 74 GLN CB . 11288 1 844 . 1 1 74 74 GLN CG C 13 32.990 0.300 . 1 . . . . 74 GLN CG . 11288 1 845 . 1 1 74 74 GLN N N 15 113.355 0.300 . 1 . . . . 74 GLN N . 11288 1 846 . 1 1 74 74 GLN NE2 N 15 111.310 0.300 . 1 . . . . 74 GLN NE2 . 11288 1 847 . 1 1 75 75 PHE H H 1 8.266 0.030 . 1 . . . . 75 PHE H . 11288 1 848 . 1 1 75 75 PHE HA H 1 4.290 0.030 . 1 . . . . 75 PHE HA . 11288 1 849 . 1 1 75 75 PHE HB2 H 1 2.800 0.030 . 2 . . . . 75 PHE HB2 . 11288 1 850 . 1 1 75 75 PHE HB3 H 1 2.224 0.030 . 2 . . . . 75 PHE HB3 . 11288 1 851 . 1 1 75 75 PHE HD1 H 1 6.769 0.030 . 1 . . . . 75 PHE HD1 . 11288 1 852 . 1 1 75 75 PHE HD2 H 1 6.769 0.030 . 1 . . . . 75 PHE HD2 . 11288 1 853 . 1 1 75 75 PHE HE1 H 1 7.301 0.030 . 1 . . . . 75 PHE HE1 . 11288 1 854 . 1 1 75 75 PHE HE2 H 1 7.301 0.030 . 1 . . . . 75 PHE HE2 . 11288 1 855 . 1 1 75 75 PHE HZ H 1 7.413 0.030 . 1 . . . . 75 PHE HZ . 11288 1 856 . 1 1 75 75 PHE C C 13 171.493 0.300 . 1 . . . . 75 PHE C . 11288 1 857 . 1 1 75 75 PHE CA C 13 58.812 0.300 . 1 . . . . 75 PHE CA . 11288 1 858 . 1 1 75 75 PHE CB C 13 42.964 0.300 . 1 . . . . 75 PHE CB . 11288 1 859 . 1 1 75 75 PHE CD1 C 13 131.303 0.300 . 1 . . . . 75 PHE CD1 . 11288 1 860 . 1 1 75 75 PHE CD2 C 13 131.303 0.300 . 1 . . . . 75 PHE CD2 . 11288 1 861 . 1 1 75 75 PHE CE1 C 13 131.596 0.300 . 1 . . . . 75 PHE CE1 . 11288 1 862 . 1 1 75 75 PHE CE2 C 13 131.596 0.300 . 1 . . . . 75 PHE CE2 . 11288 1 863 . 1 1 75 75 PHE CZ C 13 130.404 0.300 . 1 . . . . 75 PHE CZ . 11288 1 864 . 1 1 75 75 PHE N N 15 119.201 0.300 . 1 . . . . 75 PHE N . 11288 1 865 . 1 1 76 76 LYS H H 1 7.221 0.030 . 1 . . . . 76 LYS H . 11288 1 866 . 1 1 76 76 LYS HA H 1 4.858 0.030 . 1 . . . . 76 LYS HA . 11288 1 867 . 1 1 76 76 LYS HB2 H 1 1.410 0.030 . 2 . . . . 76 LYS HB2 . 11288 1 868 . 1 1 76 76 LYS HB3 H 1 1.301 0.030 . 2 . . . . 76 LYS HB3 . 11288 1 869 . 1 1 76 76 LYS HD2 H 1 1.384 0.030 . 1 . . . . 76 LYS HD2 . 11288 1 870 . 1 1 76 76 LYS HD3 H 1 1.384 0.030 . 1 . . . . 76 LYS HD3 . 11288 1 871 . 1 1 76 76 LYS HE2 H 1 2.678 0.030 . 2 . . . . 76 LYS HE2 . 11288 1 872 . 1 1 76 76 LYS HE3 H 1 2.640 0.030 . 2 . . . . 76 LYS HE3 . 11288 1 873 . 1 1 76 76 LYS HG2 H 1 1.130 0.030 . 2 . . . . 76 LYS HG2 . 11288 1 874 . 1 1 76 76 LYS HG3 H 1 0.639 0.030 . 2 . . . . 76 LYS HG3 . 11288 1 875 . 1 1 76 76 LYS C C 13 173.254 0.300 . 1 . . . . 76 LYS C . 11288 1 876 . 1 1 76 76 LYS CA C 13 54.409 0.300 . 1 . . . . 76 LYS CA . 11288 1 877 . 1 1 76 76 LYS CB C 13 34.308 0.300 . 1 . . . . 76 LYS CB . 11288 1 878 . 1 1 76 76 LYS CD C 13 29.535 0.300 . 1 . . . . 76 LYS CD . 11288 1 879 . 1 1 76 76 LYS CE C 13 41.726 0.300 . 1 . . . . 76 LYS CE . 11288 1 880 . 1 1 76 76 LYS CG C 13 24.444 0.300 . 1 . . . . 76 LYS CG . 11288 1 881 . 1 1 76 76 LYS N N 15 129.240 0.300 . 1 . . . . 76 LYS N . 11288 1 882 . 1 1 77 77 ILE H H 1 9.003 0.030 . 1 . . . . 77 ILE H . 11288 1 883 . 1 1 77 77 ILE HA H 1 3.983 0.030 . 1 . . . . 77 ILE HA . 11288 1 884 . 1 1 77 77 ILE HB H 1 1.662 0.030 . 1 . . . . 77 ILE HB . 11288 1 885 . 1 1 77 77 ILE HD11 H 1 0.626 0.030 . 1 . . . . 77 ILE HD1 . 11288 1 886 . 1 1 77 77 ILE HD12 H 1 0.626 0.030 . 1 . . . . 77 ILE HD1 . 11288 1 887 . 1 1 77 77 ILE HD13 H 1 0.626 0.030 . 1 . . . . 77 ILE HD1 . 11288 1 888 . 1 1 77 77 ILE HG12 H 1 1.421 0.030 . 2 . . . . 77 ILE HG12 . 11288 1 889 . 1 1 77 77 ILE HG13 H 1 0.945 0.030 . 2 . . . . 77 ILE HG13 . 11288 1 890 . 1 1 77 77 ILE HG21 H 1 0.841 0.030 . 1 . . . . 77 ILE HG2 . 11288 1 891 . 1 1 77 77 ILE HG22 H 1 0.841 0.030 . 1 . . . . 77 ILE HG2 . 11288 1 892 . 1 1 77 77 ILE HG23 H 1 0.841 0.030 . 1 . . . . 77 ILE HG2 . 11288 1 893 . 1 1 77 77 ILE C C 13 175.161 0.300 . 1 . . . . 77 ILE C . 11288 1 894 . 1 1 77 77 ILE CA C 13 60.857 0.300 . 1 . . . . 77 ILE CA . 11288 1 895 . 1 1 77 77 ILE CB C 13 39.731 0.300 . 1 . . . . 77 ILE CB . 11288 1 896 . 1 1 77 77 ILE CD1 C 13 15.716 0.300 . 1 . . . . 77 ILE CD1 . 11288 1 897 . 1 1 77 77 ILE CG1 C 13 29.733 0.300 . 1 . . . . 77 ILE CG1 . 11288 1 898 . 1 1 77 77 ILE CG2 C 13 19.831 0.300 . 1 . . . . 77 ILE CG2 . 11288 1 899 . 1 1 77 77 ILE N N 15 128.711 0.300 . 1 . . . . 77 ILE N . 11288 1 900 . 1 1 78 78 THR H H 1 7.611 0.030 . 1 . . . . 78 THR H . 11288 1 901 . 1 1 78 78 THR HA H 1 4.741 0.030 . 1 . . . . 78 THR HA . 11288 1 902 . 1 1 78 78 THR HB H 1 4.427 0.030 . 1 . . . . 78 THR HB . 11288 1 903 . 1 1 78 78 THR HG21 H 1 1.016 0.030 . 1 . . . . 78 THR HG2 . 11288 1 904 . 1 1 78 78 THR HG22 H 1 1.016 0.030 . 1 . . . . 78 THR HG2 . 11288 1 905 . 1 1 78 78 THR HG23 H 1 1.016 0.030 . 1 . . . . 78 THR HG2 . 11288 1 906 . 1 1 78 78 THR C C 13 172.902 0.300 . 1 . . . . 78 THR C . 11288 1 907 . 1 1 78 78 THR CA C 13 59.885 0.300 . 1 . . . . 78 THR CA . 11288 1 908 . 1 1 78 78 THR CB C 13 71.430 0.300 . 1 . . . . 78 THR CB . 11288 1 909 . 1 1 78 78 THR CG2 C 13 22.478 0.300 . 1 . . . . 78 THR CG2 . 11288 1 910 . 1 1 78 78 THR N N 15 115.286 0.300 . 1 . . . . 78 THR N . 11288 1 911 . 1 1 79 79 LYS H H 1 8.746 0.030 . 1 . . . . 79 LYS H . 11288 1 912 . 1 1 79 79 LYS HA H 1 3.963 0.030 . 1 . . . . 79 LYS HA . 11288 1 913 . 1 1 79 79 LYS HB2 H 1 2.148 0.030 . 2 . . . . 79 LYS HB2 . 11288 1 914 . 1 1 79 79 LYS HB3 H 1 2.074 0.030 . 2 . . . . 79 LYS HB3 . 11288 1 915 . 1 1 79 79 LYS HD2 H 1 1.782 0.030 . 2 . . . . 79 LYS HD2 . 11288 1 916 . 1 1 79 79 LYS HD3 H 1 1.725 0.030 . 2 . . . . 79 LYS HD3 . 11288 1 917 . 1 1 79 79 LYS HE2 H 1 3.046 0.030 . 1 . . . . 79 LYS HE2 . 11288 1 918 . 1 1 79 79 LYS HE3 H 1 3.046 0.030 . 1 . . . . 79 LYS HE3 . 11288 1 919 . 1 1 79 79 LYS HG2 H 1 1.497 0.030 . 2 . . . . 79 LYS HG2 . 11288 1 920 . 1 1 79 79 LYS HG3 H 1 1.426 0.030 . 2 . . . . 79 LYS HG3 . 11288 1 921 . 1 1 79 79 LYS C C 13 176.642 0.300 . 1 . . . . 79 LYS C . 11288 1 922 . 1 1 79 79 LYS CA C 13 57.371 0.300 . 1 . . . . 79 LYS CA . 11288 1 923 . 1 1 79 79 LYS CB C 13 28.972 0.300 . 1 . . . . 79 LYS CB . 11288 1 924 . 1 1 79 79 LYS CD C 13 29.264 0.300 . 1 . . . . 79 LYS CD . 11288 1 925 . 1 1 79 79 LYS CE C 13 42.143 0.300 . 1 . . . . 79 LYS CE . 11288 1 926 . 1 1 79 79 LYS CG C 13 25.196 0.300 . 1 . . . . 79 LYS CG . 11288 1 927 . 1 1 79 79 LYS N N 15 111.471 0.300 . 1 . . . . 79 LYS N . 11288 1 928 . 1 1 80 80 LEU H H 1 8.028 0.030 . 1 . . . . 80 LEU H . 11288 1 929 . 1 1 80 80 LEU HA H 1 4.706 0.030 . 1 . . . . 80 LEU HA . 11288 1 930 . 1 1 80 80 LEU HB2 H 1 1.863 0.030 . 2 . . . . 80 LEU HB2 . 11288 1 931 . 1 1 80 80 LEU HB3 H 1 1.269 0.030 . 2 . . . . 80 LEU HB3 . 11288 1 932 . 1 1 80 80 LEU HD11 H 1 0.851 0.030 . 1 . . . . 80 LEU HD1 . 11288 1 933 . 1 1 80 80 LEU HD12 H 1 0.851 0.030 . 1 . . . . 80 LEU HD1 . 11288 1 934 . 1 1 80 80 LEU HD13 H 1 0.851 0.030 . 1 . . . . 80 LEU HD1 . 11288 1 935 . 1 1 80 80 LEU HD21 H 1 1.067 0.030 . 1 . . . . 80 LEU HD2 . 11288 1 936 . 1 1 80 80 LEU HD22 H 1 1.067 0.030 . 1 . . . . 80 LEU HD2 . 11288 1 937 . 1 1 80 80 LEU HD23 H 1 1.067 0.030 . 1 . . . . 80 LEU HD2 . 11288 1 938 . 1 1 80 80 LEU HG H 1 1.417 0.030 . 1 . . . . 80 LEU HG . 11288 1 939 . 1 1 80 80 LEU C C 13 176.156 0.300 . 1 . . . . 80 LEU C . 11288 1 940 . 1 1 80 80 LEU CA C 13 53.012 0.300 . 1 . . . . 80 LEU CA . 11288 1 941 . 1 1 80 80 LEU CB C 13 42.652 0.300 . 1 . . . . 80 LEU CB . 11288 1 942 . 1 1 80 80 LEU CD1 C 13 26.630 0.300 . 2 . . . . 80 LEU CD1 . 11288 1 943 . 1 1 80 80 LEU CD2 C 13 22.193 0.300 . 2 . . . . 80 LEU CD2 . 11288 1 944 . 1 1 80 80 LEU CG C 13 27.254 0.300 . 1 . . . . 80 LEU CG . 11288 1 945 . 1 1 80 80 LEU N N 15 116.887 0.300 . 1 . . . . 80 LEU N . 11288 1 946 . 1 1 81 81 SER H H 1 7.277 0.030 . 1 . . . . 81 SER H . 11288 1 947 . 1 1 81 81 SER HA H 1 4.990 0.030 . 1 . . . . 81 SER HA . 11288 1 948 . 1 1 81 81 SER HB2 H 1 3.958 0.030 . 2 . . . . 81 SER HB2 . 11288 1 949 . 1 1 81 81 SER HB3 H 1 3.851 0.030 . 2 . . . . 81 SER HB3 . 11288 1 950 . 1 1 81 81 SER C C 13 170.777 0.300 . 1 . . . . 81 SER C . 11288 1 951 . 1 1 81 81 SER CA C 13 56.934 0.300 . 1 . . . . 81 SER CA . 11288 1 952 . 1 1 81 81 SER CB C 13 63.542 0.300 . 1 . . . . 81 SER CB . 11288 1 953 . 1 1 81 81 SER N N 15 116.313 0.300 . 1 . . . . 81 SER N . 11288 1 954 . 1 1 82 82 PRO HA H 1 4.987 0.030 . 1 . . . . 82 PRO HA . 11288 1 955 . 1 1 82 82 PRO HB2 H 1 2.407 0.030 . 2 . . . . 82 PRO HB2 . 11288 1 956 . 1 1 82 82 PRO HB3 H 1 1.946 0.030 . 2 . . . . 82 PRO HB3 . 11288 1 957 . 1 1 82 82 PRO HD2 H 1 3.799 0.030 . 2 . . . . 82 PRO HD2 . 11288 1 958 . 1 1 82 82 PRO HD3 H 1 3.678 0.030 . 2 . . . . 82 PRO HD3 . 11288 1 959 . 1 1 82 82 PRO HG2 H 1 2.138 0.030 . 2 . . . . 82 PRO HG2 . 11288 1 960 . 1 1 82 82 PRO HG3 H 1 1.924 0.030 . 2 . . . . 82 PRO HG3 . 11288 1 961 . 1 1 82 82 PRO C C 13 176.484 0.300 . 1 . . . . 82 PRO C . 11288 1 962 . 1 1 82 82 PRO CA C 13 63.587 0.300 . 1 . . . . 82 PRO CA . 11288 1 963 . 1 1 82 82 PRO CB C 13 32.495 0.300 . 1 . . . . 82 PRO CB . 11288 1 964 . 1 1 82 82 PRO CD C 13 51.049 0.300 . 1 . . . . 82 PRO CD . 11288 1 965 . 1 1 82 82 PRO CG C 13 27.938 0.300 . 1 . . . . 82 PRO CG . 11288 1 966 . 1 1 83 83 ALA H H 1 7.691 0.030 . 1 . . . . 83 ALA H . 11288 1 967 . 1 1 83 83 ALA HA H 1 3.908 0.030 . 1 . . . . 83 ALA HA . 11288 1 968 . 1 1 83 83 ALA HB1 H 1 1.356 0.030 . 1 . . . . 83 ALA HB . 11288 1 969 . 1 1 83 83 ALA HB2 H 1 1.356 0.030 . 1 . . . . 83 ALA HB . 11288 1 970 . 1 1 83 83 ALA HB3 H 1 1.356 0.030 . 1 . . . . 83 ALA HB . 11288 1 971 . 1 1 83 83 ALA C C 13 175.148 0.300 . 1 . . . . 83 ALA C . 11288 1 972 . 1 1 83 83 ALA CA C 13 52.744 0.300 . 1 . . . . 83 ALA CA . 11288 1 973 . 1 1 83 83 ALA CB C 13 17.302 0.300 . 1 . . . . 83 ALA CB . 11288 1 974 . 1 1 83 83 ALA N N 15 125.443 0.300 . 1 . . . . 83 ALA N . 11288 1 975 . 1 1 84 84 MET H H 1 8.325 0.030 . 1 . . . . 84 MET H . 11288 1 976 . 1 1 84 84 MET HA H 1 4.492 0.030 . 1 . . . . 84 MET HA . 11288 1 977 . 1 1 84 84 MET HB2 H 1 2.110 0.030 . 2 . . . . 84 MET HB2 . 11288 1 978 . 1 1 84 84 MET HB3 H 1 1.898 0.030 . 2 . . . . 84 MET HB3 . 11288 1 979 . 1 1 84 84 MET HE1 H 1 2.125 0.030 . 1 . . . . 84 MET HE . 11288 1 980 . 1 1 84 84 MET HE2 H 1 2.125 0.030 . 1 . . . . 84 MET HE . 11288 1 981 . 1 1 84 84 MET HE3 H 1 2.125 0.030 . 1 . . . . 84 MET HE . 11288 1 982 . 1 1 84 84 MET HG2 H 1 2.573 0.030 . 2 . . . . 84 MET HG2 . 11288 1 983 . 1 1 84 84 MET HG3 H 1 2.431 0.030 . 2 . . . . 84 MET HG3 . 11288 1 984 . 1 1 84 84 MET C C 13 175.185 0.300 . 1 . . . . 84 MET C . 11288 1 985 . 1 1 84 84 MET CA C 13 55.672 0.300 . 1 . . . . 84 MET CA . 11288 1 986 . 1 1 84 84 MET CB C 13 35.627 0.300 . 1 . . . . 84 MET CB . 11288 1 987 . 1 1 84 84 MET CE C 13 18.117 0.300 . 1 . . . . 84 MET CE . 11288 1 988 . 1 1 84 84 MET CG C 13 32.385 0.300 . 1 . . . . 84 MET CG . 11288 1 989 . 1 1 84 84 MET N N 15 120.582 0.300 . 1 . . . . 84 MET N . 11288 1 990 . 1 1 85 85 GLY H H 1 8.704 0.030 . 1 . . . . 85 GLY H . 11288 1 991 . 1 1 85 85 GLY HA2 H 1 3.638 0.030 . 2 . . . . 85 GLY HA2 . 11288 1 992 . 1 1 85 85 GLY HA3 H 1 2.518 0.030 . 2 . . . . 85 GLY HA3 . 11288 1 993 . 1 1 85 85 GLY C C 13 173.485 0.300 . 1 . . . . 85 GLY C . 11288 1 994 . 1 1 85 85 GLY CA C 13 45.614 0.300 . 1 . . . . 85 GLY CA . 11288 1 995 . 1 1 85 85 GLY N N 15 114.522 0.300 . 1 . . . . 85 GLY N . 11288 1 996 . 1 1 86 86 CYS H H 1 9.037 0.030 . 1 . . . . 86 CYS H . 11288 1 997 . 1 1 86 86 CYS HA H 1 4.443 0.030 . 1 . . . . 86 CYS HA . 11288 1 998 . 1 1 86 86 CYS HB2 H 1 3.119 0.030 . 2 . . . . 86 CYS HB2 . 11288 1 999 . 1 1 86 86 CYS HB3 H 1 2.473 0.030 . 2 . . . . 86 CYS HB3 . 11288 1 1000 . 1 1 86 86 CYS C C 13 171.493 0.300 . 1 . . . . 86 CYS C . 11288 1 1001 . 1 1 86 86 CYS CA C 13 57.603 0.300 . 1 . . . . 86 CYS CA . 11288 1 1002 . 1 1 86 86 CYS CB C 13 32.414 0.300 . 1 . . . . 86 CYS CB . 11288 1 1003 . 1 1 86 86 CYS N N 15 125.553 0.300 . 1 . . . . 86 CYS N . 11288 1 1004 . 1 1 87 87 LYS H H 1 8.433 0.030 . 1 . . . . 87 LYS H . 11288 1 1005 . 1 1 87 87 LYS HA H 1 5.548 0.030 . 1 . . . . 87 LYS HA . 11288 1 1006 . 1 1 87 87 LYS HB2 H 1 1.420 0.030 . 2 . . . . 87 LYS HB2 . 11288 1 1007 . 1 1 87 87 LYS HB3 H 1 1.279 0.030 . 2 . . . . 87 LYS HB3 . 11288 1 1008 . 1 1 87 87 LYS HD2 H 1 1.605 0.030 . 2 . . . . 87 LYS HD2 . 11288 1 1009 . 1 1 87 87 LYS HD3 H 1 1.479 0.030 . 2 . . . . 87 LYS HD3 . 11288 1 1010 . 1 1 87 87 LYS HE2 H 1 2.873 0.030 . 2 . . . . 87 LYS HE2 . 11288 1 1011 . 1 1 87 87 LYS HE3 H 1 2.817 0.030 . 2 . . . . 87 LYS HE3 . 11288 1 1012 . 1 1 87 87 LYS HG2 H 1 1.431 0.030 . 2 . . . . 87 LYS HG2 . 11288 1 1013 . 1 1 87 87 LYS HG3 H 1 1.105 0.030 . 2 . . . . 87 LYS HG3 . 11288 1 1014 . 1 1 87 87 LYS C C 13 175.974 0.300 . 1 . . . . 87 LYS C . 11288 1 1015 . 1 1 87 87 LYS CA C 13 54.224 0.300 . 1 . . . . 87 LYS CA . 11288 1 1016 . 1 1 87 87 LYS CB C 13 36.294 0.300 . 1 . . . . 87 LYS CB . 11288 1 1017 . 1 1 87 87 LYS CD C 13 29.795 0.300 . 1 . . . . 87 LYS CD . 11288 1 1018 . 1 1 87 87 LYS CE C 13 42.339 0.300 . 1 . . . . 87 LYS CE . 11288 1 1019 . 1 1 87 87 LYS CG C 13 26.921 0.300 . 1 . . . . 87 LYS CG . 11288 1 1020 . 1 1 87 87 LYS N N 15 123.958 0.300 . 1 . . . . 87 LYS N . 11288 1 1021 . 1 1 88 88 PHE H H 1 8.819 0.030 . 1 . . . . 88 PHE H . 11288 1 1022 . 1 1 88 88 PHE HA H 1 6.027 0.030 . 1 . . . . 88 PHE HA . 11288 1 1023 . 1 1 88 88 PHE HB2 H 1 3.101 0.030 . 2 . . . . 88 PHE HB2 . 11288 1 1024 . 1 1 88 88 PHE HB3 H 1 2.679 0.030 . 2 . . . . 88 PHE HB3 . 11288 1 1025 . 1 1 88 88 PHE HD1 H 1 7.350 0.030 . 1 . . . . 88 PHE HD1 . 11288 1 1026 . 1 1 88 88 PHE HD2 H 1 7.350 0.030 . 1 . . . . 88 PHE HD2 . 11288 1 1027 . 1 1 88 88 PHE HE1 H 1 7.335 0.030 . 1 . . . . 88 PHE HE1 . 11288 1 1028 . 1 1 88 88 PHE HE2 H 1 7.335 0.030 . 1 . . . . 88 PHE HE2 . 11288 1 1029 . 1 1 88 88 PHE HZ H 1 7.227 0.030 . 1 . . . . 88 PHE HZ . 11288 1 1030 . 1 1 88 88 PHE C C 13 175.173 0.300 . 1 . . . . 88 PHE C . 11288 1 1031 . 1 1 88 88 PHE CA C 13 57.033 0.300 . 1 . . . . 88 PHE CA . 11288 1 1032 . 1 1 88 88 PHE CB C 13 45.195 0.300 . 1 . . . . 88 PHE CB . 11288 1 1033 . 1 1 88 88 PHE CD1 C 13 133.134 0.300 . 1 . . . . 88 PHE CD1 . 11288 1 1034 . 1 1 88 88 PHE CD2 C 13 133.134 0.300 . 1 . . . . 88 PHE CD2 . 11288 1 1035 . 1 1 88 88 PHE CE1 C 13 131.957 0.300 . 1 . . . . 88 PHE CE1 . 11288 1 1036 . 1 1 88 88 PHE CE2 C 13 131.957 0.300 . 1 . . . . 88 PHE CE2 . 11288 1 1037 . 1 1 88 88 PHE CZ C 13 128.765 0.300 . 1 . . . . 88 PHE CZ . 11288 1 1038 . 1 1 88 88 PHE N N 15 115.009 0.300 . 1 . . . . 88 PHE N . 11288 1 1039 . 1 1 89 89 ARG H H 1 8.722 0.030 . 1 . . . . 89 ARG H . 11288 1 1040 . 1 1 89 89 ARG HA H 1 4.457 0.030 . 1 . . . . 89 ARG HA . 11288 1 1041 . 1 1 89 89 ARG HB2 H 1 1.686 0.030 . 2 . . . . 89 ARG HB2 . 11288 1 1042 . 1 1 89 89 ARG HB3 H 1 1.323 0.030 . 2 . . . . 89 ARG HB3 . 11288 1 1043 . 1 1 89 89 ARG HD2 H 1 1.766 0.030 . 2 . . . . 89 ARG HD2 . 11288 1 1044 . 1 1 89 89 ARG HD3 H 1 1.233 0.030 . 2 . . . . 89 ARG HD3 . 11288 1 1045 . 1 1 89 89 ARG HE H 1 5.601 0.030 . 1 . . . . 89 ARG HE . 11288 1 1046 . 1 1 89 89 ARG HG2 H 1 0.792 0.030 . 2 . . . . 89 ARG HG2 . 11288 1 1047 . 1 1 89 89 ARG HG3 H 1 0.686 0.030 . 2 . . . . 89 ARG HG3 . 11288 1 1048 . 1 1 89 89 ARG C C 13 172.428 0.300 . 1 . . . . 89 ARG C . 11288 1 1049 . 1 1 89 89 ARG CA C 13 55.969 0.300 . 1 . . . . 89 ARG CA . 11288 1 1050 . 1 1 89 89 ARG CB C 13 32.977 0.300 . 1 . . . . 89 ARG CB . 11288 1 1051 . 1 1 89 89 ARG CD C 13 42.976 0.300 . 1 . . . . 89 ARG CD . 11288 1 1052 . 1 1 89 89 ARG CG C 13 24.691 0.300 . 1 . . . . 89 ARG CG . 11288 1 1053 . 1 1 89 89 ARG N N 15 113.548 0.300 . 1 . . . . 89 ARG N . 11288 1 1054 . 1 1 89 89 ARG NE N 15 83.901 0.300 . 1 . . . . 89 ARG NE . 11288 1 1055 . 1 1 90 90 LEU H H 1 8.587 0.030 . 1 . . . . 90 LEU H . 11288 1 1056 . 1 1 90 90 LEU HA H 1 5.696 0.030 . 1 . . . . 90 LEU HA . 11288 1 1057 . 1 1 90 90 LEU HB2 H 1 1.661 0.030 . 2 . . . . 90 LEU HB2 . 11288 1 1058 . 1 1 90 90 LEU HB3 H 1 0.844 0.030 . 2 . . . . 90 LEU HB3 . 11288 1 1059 . 1 1 90 90 LEU HD11 H 1 -0.041 0.030 . 1 . . . . 90 LEU HD1 . 11288 1 1060 . 1 1 90 90 LEU HD12 H 1 -0.041 0.030 . 1 . . . . 90 LEU HD1 . 11288 1 1061 . 1 1 90 90 LEU HD13 H 1 -0.041 0.030 . 1 . . . . 90 LEU HD1 . 11288 1 1062 . 1 1 90 90 LEU HD21 H 1 0.365 0.030 . 1 . . . . 90 LEU HD2 . 11288 1 1063 . 1 1 90 90 LEU HD22 H 1 0.365 0.030 . 1 . . . . 90 LEU HD2 . 11288 1 1064 . 1 1 90 90 LEU HD23 H 1 0.365 0.030 . 1 . . . . 90 LEU HD2 . 11288 1 1065 . 1 1 90 90 LEU HG H 1 1.257 0.030 . 1 . . . . 90 LEU HG . 11288 1 1066 . 1 1 90 90 LEU C C 13 174.347 0.300 . 1 . . . . 90 LEU C . 11288 1 1067 . 1 1 90 90 LEU CA C 13 54.064 0.300 . 1 . . . . 90 LEU CA . 11288 1 1068 . 1 1 90 90 LEU CB C 13 50.180 0.300 . 1 . . . . 90 LEU CB . 11288 1 1069 . 1 1 90 90 LEU CD1 C 13 22.701 0.300 . 2 . . . . 90 LEU CD1 . 11288 1 1070 . 1 1 90 90 LEU CD2 C 13 27.211 0.300 . 2 . . . . 90 LEU CD2 . 11288 1 1071 . 1 1 90 90 LEU CG C 13 27.065 0.300 . 1 . . . . 90 LEU CG . 11288 1 1072 . 1 1 90 90 LEU N N 15 124.928 0.300 . 1 . . . . 90 LEU N . 11288 1 1073 . 1 1 91 91 SER H H 1 9.281 0.030 . 1 . . . . 91 SER H . 11288 1 1074 . 1 1 91 91 SER HA H 1 4.563 0.030 . 1 . . . . 91 SER HA . 11288 1 1075 . 1 1 91 91 SER HB2 H 1 3.318 0.030 . 2 . . . . 91 SER HB2 . 11288 1 1076 . 1 1 91 91 SER HB3 H 1 2.808 0.030 . 2 . . . . 91 SER HB3 . 11288 1 1077 . 1 1 91 91 SER C C 13 172.198 0.300 . 1 . . . . 91 SER C . 11288 1 1078 . 1 1 91 91 SER CA C 13 56.752 0.300 . 1 . . . . 91 SER CA . 11288 1 1079 . 1 1 91 91 SER CB C 13 66.278 0.300 . 1 . . . . 91 SER CB . 11288 1 1080 . 1 1 91 91 SER N N 15 120.647 0.300 . 1 . . . . 91 SER N . 11288 1 1081 . 1 1 92 92 ALA H H 1 8.683 0.030 . 1 . . . . 92 ALA H . 11288 1 1082 . 1 1 92 92 ALA HA H 1 5.022 0.030 . 1 . . . . 92 ALA HA . 11288 1 1083 . 1 1 92 92 ALA HB1 H 1 1.209 0.030 . 1 . . . . 92 ALA HB . 11288 1 1084 . 1 1 92 92 ALA HB2 H 1 1.209 0.030 . 1 . . . . 92 ALA HB . 11288 1 1085 . 1 1 92 92 ALA HB3 H 1 1.209 0.030 . 1 . . . . 92 ALA HB . 11288 1 1086 . 1 1 92 92 ALA C C 13 174.675 0.300 . 1 . . . . 92 ALA C . 11288 1 1087 . 1 1 92 92 ALA CA C 13 50.889 0.300 . 1 . . . . 92 ALA CA . 11288 1 1088 . 1 1 92 92 ALA CB C 13 23.368 0.300 . 1 . . . . 92 ALA CB . 11288 1 1089 . 1 1 92 92 ALA N N 15 121.503 0.300 . 1 . . . . 92 ALA N . 11288 1 1090 . 1 1 93 93 ARG H H 1 8.599 0.030 . 1 . . . . 93 ARG H . 11288 1 1091 . 1 1 93 93 ARG HA H 1 5.231 0.030 . 1 . . . . 93 ARG HA . 11288 1 1092 . 1 1 93 93 ARG HB2 H 1 1.659 0.030 . 2 . . . . 93 ARG HB2 . 11288 1 1093 . 1 1 93 93 ARG HB3 H 1 1.622 0.030 . 2 . . . . 93 ARG HB3 . 11288 1 1094 . 1 1 93 93 ARG HD2 H 1 3.053 0.030 . 2 . . . . 93 ARG HD2 . 11288 1 1095 . 1 1 93 93 ARG HD3 H 1 2.999 0.030 . 2 . . . . 93 ARG HD3 . 11288 1 1096 . 1 1 93 93 ARG HG2 H 1 1.503 0.030 . 2 . . . . 93 ARG HG2 . 11288 1 1097 . 1 1 93 93 ARG HG3 H 1 1.413 0.030 . 2 . . . . 93 ARG HG3 . 11288 1 1098 . 1 1 93 93 ARG C C 13 175.416 0.300 . 1 . . . . 93 ARG C . 11288 1 1099 . 1 1 93 93 ARG CA C 13 54.753 0.300 . 1 . . . . 93 ARG CA . 11288 1 1100 . 1 1 93 93 ARG CB C 13 34.236 0.300 . 1 . . . . 93 ARG CB . 11288 1 1101 . 1 1 93 93 ARG CD C 13 43.519 0.300 . 1 . . . . 93 ARG CD . 11288 1 1102 . 1 1 93 93 ARG CG C 13 27.096 0.300 . 1 . . . . 93 ARG CG . 11288 1 1103 . 1 1 93 93 ARG N N 15 120.013 0.300 . 1 . . . . 93 ARG N . 11288 1 1104 . 1 1 94 94 ASN H H 1 8.745 0.030 . 1 . . . . 94 ASN H . 11288 1 1105 . 1 1 94 94 ASN HA H 1 4.770 0.030 . 1 . . . . 94 ASN HA . 11288 1 1106 . 1 1 94 94 ASN HB2 H 1 3.414 0.030 . 2 . . . . 94 ASN HB2 . 11288 1 1107 . 1 1 94 94 ASN HB3 H 1 2.562 0.030 . 2 . . . . 94 ASN HB3 . 11288 1 1108 . 1 1 94 94 ASN HD21 H 1 8.121 0.030 . 2 . . . . 94 ASN HD21 . 11288 1 1109 . 1 1 94 94 ASN HD22 H 1 7.887 0.030 . 2 . . . . 94 ASN HD22 . 11288 1 1110 . 1 1 94 94 ASN C C 13 175.472 0.300 . 1 . . . . 94 ASN C . 11288 1 1111 . 1 1 94 94 ASN CA C 13 51.433 0.300 . 1 . . . . 94 ASN CA . 11288 1 1112 . 1 1 94 94 ASN CB C 13 41.685 0.300 . 1 . . . . 94 ASN CB . 11288 1 1113 . 1 1 94 94 ASN N N 15 125.001 0.300 . 1 . . . . 94 ASN N . 11288 1 1114 . 1 1 94 94 ASN ND2 N 15 114.273 0.300 . 1 . . . . 94 ASN ND2 . 11288 1 1115 . 1 1 95 95 ASP H H 1 8.293 0.030 . 1 . . . . 95 ASP H . 11288 1 1116 . 1 1 95 95 ASP HA H 1 4.243 0.030 . 1 . . . . 95 ASP HA . 11288 1 1117 . 1 1 95 95 ASP HB2 H 1 2.304 0.030 . 2 . . . . 95 ASP HB2 . 11288 1 1118 . 1 1 95 95 ASP HB3 H 1 2.098 0.030 . 2 . . . . 95 ASP HB3 . 11288 1 1119 . 1 1 95 95 ASP C C 13 176.654 0.300 . 1 . . . . 95 ASP C . 11288 1 1120 . 1 1 95 95 ASP CA C 13 57.182 0.300 . 1 . . . . 95 ASP CA . 11288 1 1121 . 1 1 95 95 ASP CB C 13 40.615 0.300 . 1 . . . . 95 ASP CB . 11288 1 1122 . 1 1 95 95 ASP N N 15 115.939 0.300 . 1 . . . . 95 ASP N . 11288 1 1123 . 1 1 96 96 TYR H H 1 7.921 0.030 . 1 . . . . 96 TYR H . 11288 1 1124 . 1 1 96 96 TYR HA H 1 4.309 0.030 . 1 . . . . 96 TYR HA . 11288 1 1125 . 1 1 96 96 TYR HB2 H 1 3.074 0.030 . 2 . . . . 96 TYR HB2 . 11288 1 1126 . 1 1 96 96 TYR HB3 H 1 2.586 0.030 . 2 . . . . 96 TYR HB3 . 11288 1 1127 . 1 1 96 96 TYR HD1 H 1 6.960 0.030 . 1 . . . . 96 TYR HD1 . 11288 1 1128 . 1 1 96 96 TYR HD2 H 1 6.960 0.030 . 1 . . . . 96 TYR HD2 . 11288 1 1129 . 1 1 96 96 TYR HE1 H 1 6.763 0.030 . 1 . . . . 96 TYR HE1 . 11288 1 1130 . 1 1 96 96 TYR HE2 H 1 6.763 0.030 . 1 . . . . 96 TYR HE2 . 11288 1 1131 . 1 1 96 96 TYR C C 13 175.707 0.300 . 1 . . . . 96 TYR C . 11288 1 1132 . 1 1 96 96 TYR CA C 13 59.180 0.300 . 1 . . . . 96 TYR CA . 11288 1 1133 . 1 1 96 96 TYR CB C 13 38.506 0.300 . 1 . . . . 96 TYR CB . 11288 1 1134 . 1 1 96 96 TYR CD1 C 13 132.851 0.300 . 1 . . . . 96 TYR CD1 . 11288 1 1135 . 1 1 96 96 TYR CD2 C 13 132.851 0.300 . 1 . . . . 96 TYR CD2 . 11288 1 1136 . 1 1 96 96 TYR CE1 C 13 118.236 0.300 . 1 . . . . 96 TYR CE1 . 11288 1 1137 . 1 1 96 96 TYR CE2 C 13 118.236 0.300 . 1 . . . . 96 TYR CE2 . 11288 1 1138 . 1 1 96 96 TYR N N 15 116.350 0.300 . 1 . . . . 96 TYR N . 11288 1 1139 . 1 1 97 97 GLY H H 1 7.712 0.030 . 1 . . . . 97 GLY H . 11288 1 1140 . 1 1 97 97 GLY HA2 H 1 4.583 0.030 . 2 . . . . 97 GLY HA2 . 11288 1 1141 . 1 1 97 97 GLY HA3 H 1 3.883 0.030 . 2 . . . . 97 GLY HA3 . 11288 1 1142 . 1 1 97 97 GLY C C 13 171.542 0.300 . 1 . . . . 97 GLY C . 11288 1 1143 . 1 1 97 97 GLY CA C 13 45.040 0.300 . 1 . . . . 97 GLY CA . 11288 1 1144 . 1 1 97 97 GLY N N 15 106.238 0.300 . 1 . . . . 97 GLY N . 11288 1 1145 . 1 1 98 98 THR H H 1 8.359 0.030 . 1 . . . . 98 THR H . 11288 1 1146 . 1 1 98 98 THR HA H 1 4.836 0.030 . 1 . . . . 98 THR HA . 11288 1 1147 . 1 1 98 98 THR HB H 1 3.791 0.030 . 1 . . . . 98 THR HB . 11288 1 1148 . 1 1 98 98 THR HG21 H 1 1.176 0.030 . 1 . . . . 98 THR HG2 . 11288 1 1149 . 1 1 98 98 THR HG22 H 1 1.176 0.030 . 1 . . . . 98 THR HG2 . 11288 1 1150 . 1 1 98 98 THR HG23 H 1 1.176 0.030 . 1 . . . . 98 THR HG2 . 11288 1 1151 . 1 1 98 98 THR C C 13 173.873 0.300 . 1 . . . . 98 THR C . 11288 1 1152 . 1 1 98 98 THR CA C 13 60.366 0.300 . 1 . . . . 98 THR CA . 11288 1 1153 . 1 1 98 98 THR CB C 13 70.116 0.300 . 1 . . . . 98 THR CB . 11288 1 1154 . 1 1 98 98 THR CG2 C 13 20.599 0.300 . 1 . . . . 98 THR CG2 . 11288 1 1155 . 1 1 98 98 THR N N 15 114.273 0.300 . 1 . . . . 98 THR N . 11288 1 1156 . 1 1 99 99 SER H H 1 9.244 0.030 . 1 . . . . 99 SER H . 11288 1 1157 . 1 1 99 99 SER HA H 1 4.386 0.030 . 1 . . . . 99 SER HA . 11288 1 1158 . 1 1 99 99 SER HB2 H 1 3.959 0.030 . 2 . . . . 99 SER HB2 . 11288 1 1159 . 1 1 99 99 SER HB3 H 1 3.660 0.030 . 2 . . . . 99 SER HB3 . 11288 1 1160 . 1 1 99 99 SER C C 13 175.355 0.300 . 1 . . . . 99 SER C . 11288 1 1161 . 1 1 99 99 SER CA C 13 58.886 0.300 . 1 . . . . 99 SER CA . 11288 1 1162 . 1 1 99 99 SER CB C 13 67.185 0.300 . 1 . . . . 99 SER CB . 11288 1 1163 . 1 1 99 99 SER N N 15 122.590 0.300 . 1 . . . . 99 SER N . 11288 1 1164 . 1 1 100 100 GLY H H 1 8.270 0.030 . 1 . . . . 100 GLY H . 11288 1 1165 . 1 1 100 100 GLY HA2 H 1 3.991 0.030 . 2 . . . . 100 GLY HA2 . 11288 1 1166 . 1 1 100 100 GLY HA3 H 1 3.756 0.030 . 2 . . . . 100 GLY HA3 . 11288 1 1167 . 1 1 100 100 GLY C C 13 173.459 0.300 . 1 . . . . 100 GLY C . 11288 1 1168 . 1 1 100 100 GLY CA C 13 44.798 0.300 . 1 . . . . 100 GLY CA . 11288 1 1169 . 1 1 100 100 GLY N N 15 105.400 0.300 . 1 . . . . 100 GLY N . 11288 1 1170 . 1 1 101 101 PHE H H 1 8.316 0.030 . 1 . . . . 101 PHE H . 11288 1 1171 . 1 1 101 101 PHE HA H 1 4.551 0.030 . 1 . . . . 101 PHE HA . 11288 1 1172 . 1 1 101 101 PHE HB2 H 1 3.016 0.030 . 2 . . . . 101 PHE HB2 . 11288 1 1173 . 1 1 101 101 PHE HB3 H 1 2.715 0.030 . 2 . . . . 101 PHE HB3 . 11288 1 1174 . 1 1 101 101 PHE HD1 H 1 7.002 0.030 . 1 . . . . 101 PHE HD1 . 11288 1 1175 . 1 1 101 101 PHE HD2 H 1 7.002 0.030 . 1 . . . . 101 PHE HD2 . 11288 1 1176 . 1 1 101 101 PHE HE1 H 1 7.169 0.030 . 1 . . . . 101 PHE HE1 . 11288 1 1177 . 1 1 101 101 PHE HE2 H 1 7.169 0.030 . 1 . . . . 101 PHE HE2 . 11288 1 1178 . 1 1 101 101 PHE HZ H 1 7.164 0.030 . 1 . . . . 101 PHE HZ . 11288 1 1179 . 1 1 101 101 PHE C C 13 177.018 0.300 . 1 . . . . 101 PHE C . 11288 1 1180 . 1 1 101 101 PHE CA C 13 59.114 0.300 . 1 . . . . 101 PHE CA . 11288 1 1181 . 1 1 101 101 PHE CB C 13 41.268 0.300 . 1 . . . . 101 PHE CB . 11288 1 1182 . 1 1 101 101 PHE CD1 C 13 131.272 0.300 . 1 . . . . 101 PHE CD1 . 11288 1 1183 . 1 1 101 101 PHE CD2 C 13 131.272 0.300 . 1 . . . . 101 PHE CD2 . 11288 1 1184 . 1 1 101 101 PHE CE1 C 13 131.421 0.300 . 1 . . . . 101 PHE CE1 . 11288 1 1185 . 1 1 101 101 PHE CE2 C 13 131.421 0.300 . 1 . . . . 101 PHE CE2 . 11288 1 1186 . 1 1 101 101 PHE CZ C 13 130.295 0.300 . 1 . . . . 101 PHE CZ . 11288 1 1187 . 1 1 101 101 PHE N N 15 117.934 0.300 . 1 . . . . 101 PHE N . 11288 1 1188 . 1 1 102 102 SER H H 1 9.224 0.030 . 1 . . . . 102 SER H . 11288 1 1189 . 1 1 102 102 SER HA H 1 4.286 0.030 . 1 . . . . 102 SER HA . 11288 1 1190 . 1 1 102 102 SER HB2 H 1 4.061 0.030 . 2 . . . . 102 SER HB2 . 11288 1 1191 . 1 1 102 102 SER HB3 H 1 3.946 0.030 . 2 . . . . 102 SER HB3 . 11288 1 1192 . 1 1 102 102 SER C C 13 173.303 0.300 . 1 . . . . 102 SER C . 11288 1 1193 . 1 1 102 102 SER CA C 13 58.090 0.300 . 1 . . . . 102 SER CA . 11288 1 1194 . 1 1 102 102 SER CB C 13 66.971 0.300 . 1 . . . . 102 SER CB . 11288 1 1195 . 1 1 102 102 SER N N 15 114.668 0.300 . 1 . . . . 102 SER N . 11288 1 1196 . 1 1 103 103 GLU H H 1 8.530 0.030 . 1 . . . . 103 GLU H . 11288 1 1197 . 1 1 103 103 GLU HA H 1 4.168 0.030 . 1 . . . . 103 GLU HA . 11288 1 1198 . 1 1 103 103 GLU HB2 H 1 2.063 0.030 . 2 . . . . 103 GLU HB2 . 11288 1 1199 . 1 1 103 103 GLU HB3 H 1 1.936 0.030 . 2 . . . . 103 GLU HB3 . 11288 1 1200 . 1 1 103 103 GLU HG2 H 1 2.404 0.030 . 1 . . . . 103 GLU HG2 . 11288 1 1201 . 1 1 103 103 GLU HG3 H 1 2.404 0.030 . 1 . . . . 103 GLU HG3 . 11288 1 1202 . 1 1 103 103 GLU C C 13 176.581 0.300 . 1 . . . . 103 GLU C . 11288 1 1203 . 1 1 103 103 GLU CA C 13 57.178 0.300 . 1 . . . . 103 GLU CA . 11288 1 1204 . 1 1 103 103 GLU CB C 13 30.536 0.300 . 1 . . . . 103 GLU CB . 11288 1 1205 . 1 1 103 103 GLU CG C 13 36.439 0.300 . 1 . . . . 103 GLU CG . 11288 1 1206 . 1 1 103 103 GLU N N 15 119.041 0.300 . 1 . . . . 103 GLU N . 11288 1 1207 . 1 1 104 104 GLU H H 1 8.442 0.030 . 1 . . . . 104 GLU H . 11288 1 1208 . 1 1 104 104 GLU HA H 1 4.836 0.030 . 1 . . . . 104 GLU HA . 11288 1 1209 . 1 1 104 104 GLU HB2 H 1 1.909 0.030 . 2 . . . . 104 GLU HB2 . 11288 1 1210 . 1 1 104 104 GLU HB3 H 1 1.819 0.030 . 2 . . . . 104 GLU HB3 . 11288 1 1211 . 1 1 104 104 GLU HG2 H 1 2.264 0.030 . 2 . . . . 104 GLU HG2 . 11288 1 1212 . 1 1 104 104 GLU HG3 H 1 1.952 0.030 . 2 . . . . 104 GLU HG3 . 11288 1 1213 . 1 1 104 104 GLU C C 13 177.200 0.300 . 1 . . . . 104 GLU C . 11288 1 1214 . 1 1 104 104 GLU CA C 13 55.451 0.300 . 1 . . . . 104 GLU CA . 11288 1 1215 . 1 1 104 104 GLU CB C 13 30.988 0.300 . 1 . . . . 104 GLU CB . 11288 1 1216 . 1 1 104 104 GLU CG C 13 36.215 0.300 . 1 . . . . 104 GLU CG . 11288 1 1217 . 1 1 104 104 GLU N N 15 122.629 0.300 . 1 . . . . 104 GLU N . 11288 1 1218 . 1 1 105 105 VAL H H 1 8.535 0.030 . 1 . . . . 105 VAL H . 11288 1 1219 . 1 1 105 105 VAL HA H 1 4.621 0.030 . 1 . . . . 105 VAL HA . 11288 1 1220 . 1 1 105 105 VAL HB H 1 1.695 0.030 . 1 . . . . 105 VAL HB . 11288 1 1221 . 1 1 105 105 VAL HG11 H 1 0.996 0.030 . 1 . . . . 105 VAL HG1 . 11288 1 1222 . 1 1 105 105 VAL HG12 H 1 0.996 0.030 . 1 . . . . 105 VAL HG1 . 11288 1 1223 . 1 1 105 105 VAL HG13 H 1 0.996 0.030 . 1 . . . . 105 VAL HG1 . 11288 1 1224 . 1 1 105 105 VAL HG21 H 1 0.910 0.030 . 1 . . . . 105 VAL HG2 . 11288 1 1225 . 1 1 105 105 VAL HG22 H 1 0.910 0.030 . 1 . . . . 105 VAL HG2 . 11288 1 1226 . 1 1 105 105 VAL HG23 H 1 0.910 0.030 . 1 . . . . 105 VAL HG2 . 11288 1 1227 . 1 1 105 105 VAL C C 13 172.016 0.300 . 1 . . . . 105 VAL C . 11288 1 1228 . 1 1 105 105 VAL CA C 13 59.338 0.300 . 1 . . . . 105 VAL CA . 11288 1 1229 . 1 1 105 105 VAL CB C 13 35.380 0.300 . 1 . . . . 105 VAL CB . 11288 1 1230 . 1 1 105 105 VAL CG1 C 13 22.258 0.300 . 2 . . . . 105 VAL CG1 . 11288 1 1231 . 1 1 105 105 VAL CG2 C 13 19.843 0.300 . 2 . . . . 105 VAL CG2 . 11288 1 1232 . 1 1 105 105 VAL N N 15 117.015 0.300 . 1 . . . . 105 VAL N . 11288 1 1233 . 1 1 106 106 LEU H H 1 7.833 0.030 . 1 . . . . 106 LEU H . 11288 1 1234 . 1 1 106 106 LEU HA H 1 4.984 0.030 . 1 . . . . 106 LEU HA . 11288 1 1235 . 1 1 106 106 LEU HB2 H 1 1.734 0.030 . 2 . . . . 106 LEU HB2 . 11288 1 1236 . 1 1 106 106 LEU HB3 H 1 1.081 0.030 . 2 . . . . 106 LEU HB3 . 11288 1 1237 . 1 1 106 106 LEU HD11 H 1 0.388 0.030 . 1 . . . . 106 LEU HD1 . 11288 1 1238 . 1 1 106 106 LEU HD12 H 1 0.388 0.030 . 1 . . . . 106 LEU HD1 . 11288 1 1239 . 1 1 106 106 LEU HD13 H 1 0.388 0.030 . 1 . . . . 106 LEU HD1 . 11288 1 1240 . 1 1 106 106 LEU HD21 H 1 0.824 0.030 . 1 . . . . 106 LEU HD2 . 11288 1 1241 . 1 1 106 106 LEU HD22 H 1 0.824 0.030 . 1 . . . . 106 LEU HD2 . 11288 1 1242 . 1 1 106 106 LEU HD23 H 1 0.824 0.030 . 1 . . . . 106 LEU HD2 . 11288 1 1243 . 1 1 106 106 LEU HG H 1 1.113 0.030 . 1 . . . . 106 LEU HG . 11288 1 1244 . 1 1 106 106 LEU C C 13 174.954 0.300 . 1 . . . . 106 LEU C . 11288 1 1245 . 1 1 106 106 LEU CA C 13 53.347 0.300 . 1 . . . . 106 LEU CA . 11288 1 1246 . 1 1 106 106 LEU CB C 13 45.130 0.300 . 1 . . . . 106 LEU CB . 11288 1 1247 . 1 1 106 106 LEU CD1 C 13 23.168 0.300 . 2 . . . . 106 LEU CD1 . 11288 1 1248 . 1 1 106 106 LEU CD2 C 13 26.480 0.300 . 2 . . . . 106 LEU CD2 . 11288 1 1249 . 1 1 106 106 LEU CG C 13 27.445 0.300 . 1 . . . . 106 LEU CG . 11288 1 1250 . 1 1 106 106 LEU N N 15 126.551 0.300 . 1 . . . . 106 LEU N . 11288 1 1251 . 1 1 107 107 TYR H H 1 9.093 0.030 . 1 . . . . 107 TYR H . 11288 1 1252 . 1 1 107 107 TYR HA H 1 5.416 0.030 . 1 . . . . 107 TYR HA . 11288 1 1253 . 1 1 107 107 TYR HB2 H 1 3.263 0.030 . 2 . . . . 107 TYR HB2 . 11288 1 1254 . 1 1 107 107 TYR HB3 H 1 2.708 0.030 . 2 . . . . 107 TYR HB3 . 11288 1 1255 . 1 1 107 107 TYR HD1 H 1 7.186 0.030 . 1 . . . . 107 TYR HD1 . 11288 1 1256 . 1 1 107 107 TYR HD2 H 1 7.186 0.030 . 1 . . . . 107 TYR HD2 . 11288 1 1257 . 1 1 107 107 TYR HE1 H 1 6.632 0.030 . 1 . . . . 107 TYR HE1 . 11288 1 1258 . 1 1 107 107 TYR HE2 H 1 6.632 0.030 . 1 . . . . 107 TYR HE2 . 11288 1 1259 . 1 1 107 107 TYR C C 13 173.618 0.300 . 1 . . . . 107 TYR C . 11288 1 1260 . 1 1 107 107 TYR CA C 13 55.445 0.300 . 1 . . . . 107 TYR CA . 11288 1 1261 . 1 1 107 107 TYR CB C 13 44.068 0.300 . 1 . . . . 107 TYR CB . 11288 1 1262 . 1 1 107 107 TYR CD1 C 13 133.079 0.300 . 1 . . . . 107 TYR CD1 . 11288 1 1263 . 1 1 107 107 TYR CD2 C 13 133.079 0.300 . 1 . . . . 107 TYR CD2 . 11288 1 1264 . 1 1 107 107 TYR CE1 C 13 117.414 0.300 . 1 . . . . 107 TYR CE1 . 11288 1 1265 . 1 1 107 107 TYR CE2 C 13 117.414 0.300 . 1 . . . . 107 TYR CE2 . 11288 1 1266 . 1 1 107 107 TYR N N 15 124.487 0.300 . 1 . . . . 107 TYR N . 11288 1 1267 . 1 1 108 108 TYR H H 1 8.942 0.030 . 1 . . . . 108 TYR H . 11288 1 1268 . 1 1 108 108 TYR HA H 1 5.939 0.030 . 1 . . . . 108 TYR HA . 11288 1 1269 . 1 1 108 108 TYR HB2 H 1 3.031 0.030 . 2 . . . . 108 TYR HB2 . 11288 1 1270 . 1 1 108 108 TYR HB3 H 1 2.715 0.030 . 2 . . . . 108 TYR HB3 . 11288 1 1271 . 1 1 108 108 TYR HD1 H 1 6.936 0.030 . 1 . . . . 108 TYR HD1 . 11288 1 1272 . 1 1 108 108 TYR HD2 H 1 6.936 0.030 . 1 . . . . 108 TYR HD2 . 11288 1 1273 . 1 1 108 108 TYR HE1 H 1 6.773 0.030 . 1 . . . . 108 TYR HE1 . 11288 1 1274 . 1 1 108 108 TYR HE2 H 1 6.773 0.030 . 1 . . . . 108 TYR HE2 . 11288 1 1275 . 1 1 108 108 TYR C C 13 179.034 0.300 . 1 . . . . 108 TYR C . 11288 1 1276 . 1 1 108 108 TYR CA C 13 56.319 0.300 . 1 . . . . 108 TYR CA . 11288 1 1277 . 1 1 108 108 TYR CB C 13 41.495 0.300 . 1 . . . . 108 TYR CB . 11288 1 1278 . 1 1 108 108 TYR CD1 C 13 133.120 0.300 . 1 . . . . 108 TYR CD1 . 11288 1 1279 . 1 1 108 108 TYR CD2 C 13 133.120 0.300 . 1 . . . . 108 TYR CD2 . 11288 1 1280 . 1 1 108 108 TYR CE1 C 13 118.303 0.300 . 1 . . . . 108 TYR CE1 . 11288 1 1281 . 1 1 108 108 TYR CE2 C 13 118.303 0.300 . 1 . . . . 108 TYR CE2 . 11288 1 1282 . 1 1 108 108 TYR N N 15 119.228 0.300 . 1 . . . . 108 TYR N . 11288 1 1283 . 1 1 109 109 THR H H 1 8.297 0.030 . 1 . . . . 109 THR H . 11288 1 1284 . 1 1 109 109 THR HA H 1 4.315 0.030 . 1 . . . . 109 THR HA . 11288 1 1285 . 1 1 109 109 THR HB H 1 4.949 0.030 . 1 . . . . 109 THR HB . 11288 1 1286 . 1 1 109 109 THR HG21 H 1 1.262 0.030 . 1 . . . . 109 THR HG2 . 11288 1 1287 . 1 1 109 109 THR HG22 H 1 1.262 0.030 . 1 . . . . 109 THR HG2 . 11288 1 1288 . 1 1 109 109 THR HG23 H 1 1.262 0.030 . 1 . . . . 109 THR HG2 . 11288 1 1289 . 1 1 109 109 THR C C 13 175.683 0.300 . 1 . . . . 109 THR C . 11288 1 1290 . 1 1 109 109 THR CA C 13 61.464 0.300 . 1 . . . . 109 THR CA . 11288 1 1291 . 1 1 109 109 THR CB C 13 69.586 0.300 . 1 . . . . 109 THR CB . 11288 1 1292 . 1 1 109 109 THR CG2 C 13 25.777 0.300 . 1 . . . . 109 THR CG2 . 11288 1 1293 . 1 1 109 109 THR N N 15 109.804 0.300 . 1 . . . . 109 THR N . 11288 1 1294 . 1 1 110 110 SER H H 1 7.447 0.030 . 1 . . . . 110 SER H . 11288 1 1295 . 1 1 110 110 SER HA H 1 4.251 0.030 . 1 . . . . 110 SER HA . 11288 1 1296 . 1 1 110 110 SER HB2 H 1 3.890 0.030 . 2 . . . . 110 SER HB2 . 11288 1 1297 . 1 1 110 110 SER HB3 H 1 3.455 0.030 . 2 . . . . 110 SER HB3 . 11288 1 1298 . 1 1 110 110 SER C C 13 173.485 0.300 . 1 . . . . 110 SER C . 11288 1 1299 . 1 1 110 110 SER CA C 13 59.345 0.300 . 1 . . . . 110 SER CA . 11288 1 1300 . 1 1 110 110 SER CB C 13 63.530 0.300 . 1 . . . . 110 SER CB . 11288 1 1301 . 1 1 110 110 SER N N 15 114.896 0.300 . 1 . . . . 110 SER N . 11288 1 1302 . 1 1 111 111 GLY H H 1 8.291 0.030 . 1 . . . . 111 GLY H . 11288 1 1303 . 1 1 111 111 GLY HA2 H 1 4.153 0.030 . 2 . . . . 111 GLY HA2 . 11288 1 1304 . 1 1 111 111 GLY HA3 H 1 4.075 0.030 . 2 . . . . 111 GLY HA3 . 11288 1 1305 . 1 1 111 111 GLY C C 13 173.910 0.300 . 1 . . . . 111 GLY C . 11288 1 1306 . 1 1 111 111 GLY CA C 13 44.637 0.300 . 1 . . . . 111 GLY CA . 11288 1 1307 . 1 1 111 111 GLY N N 15 106.825 0.300 . 1 . . . . 111 GLY N . 11288 1 1308 . 1 1 112 112 CYS H H 1 8.514 0.030 . 1 . . . . 112 CYS H . 11288 1 1309 . 1 1 112 112 CYS HA H 1 4.500 0.030 . 1 . . . . 112 CYS HA . 11288 1 1310 . 1 1 112 112 CYS HB2 H 1 2.940 0.030 . 2 . . . . 112 CYS HB2 . 11288 1 1311 . 1 1 112 112 CYS HB3 H 1 2.892 0.030 . 2 . . . . 112 CYS HB3 . 11288 1 1312 . 1 1 112 112 CYS C C 13 174.687 0.300 . 1 . . . . 112 CYS C . 11288 1 1313 . 1 1 112 112 CYS CA C 13 58.869 0.300 . 1 . . . . 112 CYS CA . 11288 1 1314 . 1 1 112 112 CYS CB C 13 28.805 0.300 . 1 . . . . 112 CYS CB . 11288 1 1315 . 1 1 112 112 CYS N N 15 117.338 0.300 . 1 . . . . 112 CYS N . 11288 1 stop_ save_