data_11264 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11264 _Entry.Title ; Solution Structure of Ras-binding Domain in Mouse AF-6 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11264 2 T. Tomizawa . . . 11264 3 S. Koshiba . . . 11264 4 M. Inoue . . . 11264 5 T. Kigawa . . . 11264 6 S. Yokoyama . . . 11264 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)' . 11264 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11264 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 11264 '15N chemical shifts' 100 11264 '1H chemical shifts' 742 11264 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 . 11264 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WXA 'BMRB Entry Tracking System' 11264 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11264 _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 Ras-binding Domain in Mouse AF-6 Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11264 1 2 T. Tomizawa . . . 11264 1 3 S. Koshiba . . . 11264 1 4 M. Inoue . . . 11264 1 5 T. Kigawa . . . 11264 1 6 S. Yokoyama . . . 11264 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11264 _Assembly.ID 1 _Assembly.Name Afadin _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 'Ras-binding domain' 1 $entity_1 A . yes native no no . . . 11264 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 1wxa . . . . . . 11264 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11264 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ras-binding 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 ; GSSGSSGSGGTLRIYADSLK PNIPYKTILLSTTDTADFAV AESLEKYGLEKENPKDYCIA RVMLPPGAQHSDERGAKEII LDDDECPLQIFREWPSDKGI LVFQLKRRPPSGPSSG ; _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 116 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WXA . "Solution Structure Of Ras-Binding Domain In Mouse Af-6 Protein" . . . . . 100.00 116 100.00 100.00 1.49e-77 . . . . 11264 1 2 no GB AAH14505 . "MLLT4 protein, partial [Homo sapiens]" . . . . . 52.59 388 98.36 100.00 5.51e-35 . . . . 11264 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ras-binding domain' . 11264 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 . 11264 1 2 . SER . 11264 1 3 . SER . 11264 1 4 . GLY . 11264 1 5 . SER . 11264 1 6 . SER . 11264 1 7 . GLY . 11264 1 8 . SER . 11264 1 9 . GLY . 11264 1 10 . GLY . 11264 1 11 . THR . 11264 1 12 . LEU . 11264 1 13 . ARG . 11264 1 14 . ILE . 11264 1 15 . TYR . 11264 1 16 . ALA . 11264 1 17 . ASP . 11264 1 18 . SER . 11264 1 19 . LEU . 11264 1 20 . LYS . 11264 1 21 . PRO . 11264 1 22 . ASN . 11264 1 23 . ILE . 11264 1 24 . PRO . 11264 1 25 . TYR . 11264 1 26 . LYS . 11264 1 27 . THR . 11264 1 28 . ILE . 11264 1 29 . LEU . 11264 1 30 . LEU . 11264 1 31 . SER . 11264 1 32 . THR . 11264 1 33 . THR . 11264 1 34 . ASP . 11264 1 35 . THR . 11264 1 36 . ALA . 11264 1 37 . ASP . 11264 1 38 . PHE . 11264 1 39 . ALA . 11264 1 40 . VAL . 11264 1 41 . ALA . 11264 1 42 . GLU . 11264 1 43 . SER . 11264 1 44 . LEU . 11264 1 45 . GLU . 11264 1 46 . LYS . 11264 1 47 . TYR . 11264 1 48 . GLY . 11264 1 49 . LEU . 11264 1 50 . GLU . 11264 1 51 . LYS . 11264 1 52 . GLU . 11264 1 53 . ASN . 11264 1 54 . PRO . 11264 1 55 . LYS . 11264 1 56 . ASP . 11264 1 57 . TYR . 11264 1 58 . CYS . 11264 1 59 . ILE . 11264 1 60 . ALA . 11264 1 61 . ARG . 11264 1 62 . VAL . 11264 1 63 . MET . 11264 1 64 . LEU . 11264 1 65 . PRO . 11264 1 66 . PRO . 11264 1 67 . GLY . 11264 1 68 . ALA . 11264 1 69 . GLN . 11264 1 70 . HIS . 11264 1 71 . SER . 11264 1 72 . ASP . 11264 1 73 . GLU . 11264 1 74 . ARG . 11264 1 75 . GLY . 11264 1 76 . ALA . 11264 1 77 . LYS . 11264 1 78 . GLU . 11264 1 79 . ILE . 11264 1 80 . ILE . 11264 1 81 . LEU . 11264 1 82 . ASP . 11264 1 83 . ASP . 11264 1 84 . ASP . 11264 1 85 . GLU . 11264 1 86 . CYS . 11264 1 87 . PRO . 11264 1 88 . LEU . 11264 1 89 . GLN . 11264 1 90 . ILE . 11264 1 91 . PHE . 11264 1 92 . ARG . 11264 1 93 . GLU . 11264 1 94 . TRP . 11264 1 95 . PRO . 11264 1 96 . SER . 11264 1 97 . ASP . 11264 1 98 . LYS . 11264 1 99 . GLY . 11264 1 100 . ILE . 11264 1 101 . LEU . 11264 1 102 . VAL . 11264 1 103 . PHE . 11264 1 104 . GLN . 11264 1 105 . LEU . 11264 1 106 . LYS . 11264 1 107 . ARG . 11264 1 108 . ARG . 11264 1 109 . PRO . 11264 1 110 . PRO . 11264 1 111 . SER . 11264 1 112 . GLY . 11264 1 113 . PRO . 11264 1 114 . SER . 11264 1 115 . SER . 11264 1 116 . GLY . 11264 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 11264 1 . SER 2 2 11264 1 . SER 3 3 11264 1 . GLY 4 4 11264 1 . SER 5 5 11264 1 . SER 6 6 11264 1 . GLY 7 7 11264 1 . SER 8 8 11264 1 . GLY 9 9 11264 1 . GLY 10 10 11264 1 . THR 11 11 11264 1 . LEU 12 12 11264 1 . ARG 13 13 11264 1 . ILE 14 14 11264 1 . TYR 15 15 11264 1 . ALA 16 16 11264 1 . ASP 17 17 11264 1 . SER 18 18 11264 1 . LEU 19 19 11264 1 . LYS 20 20 11264 1 . PRO 21 21 11264 1 . ASN 22 22 11264 1 . ILE 23 23 11264 1 . PRO 24 24 11264 1 . TYR 25 25 11264 1 . LYS 26 26 11264 1 . THR 27 27 11264 1 . ILE 28 28 11264 1 . LEU 29 29 11264 1 . LEU 30 30 11264 1 . SER 31 31 11264 1 . THR 32 32 11264 1 . THR 33 33 11264 1 . ASP 34 34 11264 1 . THR 35 35 11264 1 . ALA 36 36 11264 1 . ASP 37 37 11264 1 . PHE 38 38 11264 1 . ALA 39 39 11264 1 . VAL 40 40 11264 1 . ALA 41 41 11264 1 . GLU 42 42 11264 1 . SER 43 43 11264 1 . LEU 44 44 11264 1 . GLU 45 45 11264 1 . LYS 46 46 11264 1 . TYR 47 47 11264 1 . GLY 48 48 11264 1 . LEU 49 49 11264 1 . GLU 50 50 11264 1 . LYS 51 51 11264 1 . GLU 52 52 11264 1 . ASN 53 53 11264 1 . PRO 54 54 11264 1 . LYS 55 55 11264 1 . ASP 56 56 11264 1 . TYR 57 57 11264 1 . CYS 58 58 11264 1 . ILE 59 59 11264 1 . ALA 60 60 11264 1 . ARG 61 61 11264 1 . VAL 62 62 11264 1 . MET 63 63 11264 1 . LEU 64 64 11264 1 . PRO 65 65 11264 1 . PRO 66 66 11264 1 . GLY 67 67 11264 1 . ALA 68 68 11264 1 . GLN 69 69 11264 1 . HIS 70 70 11264 1 . SER 71 71 11264 1 . ASP 72 72 11264 1 . GLU 73 73 11264 1 . ARG 74 74 11264 1 . GLY 75 75 11264 1 . ALA 76 76 11264 1 . LYS 77 77 11264 1 . GLU 78 78 11264 1 . ILE 79 79 11264 1 . ILE 80 80 11264 1 . LEU 81 81 11264 1 . ASP 82 82 11264 1 . ASP 83 83 11264 1 . ASP 84 84 11264 1 . GLU 85 85 11264 1 . CYS 86 86 11264 1 . PRO 87 87 11264 1 . LEU 88 88 11264 1 . GLN 89 89 11264 1 . ILE 90 90 11264 1 . PHE 91 91 11264 1 . ARG 92 92 11264 1 . GLU 93 93 11264 1 . TRP 94 94 11264 1 . PRO 95 95 11264 1 . SER 96 96 11264 1 . ASP 97 97 11264 1 . LYS 98 98 11264 1 . GLY 99 99 11264 1 . ILE 100 100 11264 1 . LEU 101 101 11264 1 . VAL 102 102 11264 1 . PHE 103 103 11264 1 . GLN 104 104 11264 1 . LEU 105 105 11264 1 . LYS 106 106 11264 1 . ARG 107 107 11264 1 . ARG 108 108 11264 1 . PRO 109 109 11264 1 . PRO 110 110 11264 1 . SER 111 111 11264 1 . GLY 112 112 11264 1 . PRO 113 113 11264 1 . SER 114 114 11264 1 . SER 115 115 11264 1 . GLY 116 116 11264 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 11264 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11264 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 11264 _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' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040719-08 . . . . . . 11264 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11264 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.28mM protein U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ras-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 11264 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11264 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11264 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11264 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11264 1 6 H2O . . . . . . solvent 90 . . % . . . . 11264 1 7 D2O . . . . . . solvent 10 . . % . . . . 11264 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 11264 _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' 100 0.1 mM 11264 1 pH 7.0 0.05 pH 11264 1 pressure 1 0.001 atm 11264 1 temperature 298.0 0.1 K 11264 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11264 _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 . . 11264 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11264 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11264 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11264 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11264 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11264 _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.' . . 11264 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11264 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11264 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11264 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11264 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11264 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11264 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11264 5 'structure solution' 11264 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 11264 _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 11264 _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 . . . 11264 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 11264 _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 . . . . . . . . . . . . . . . . 11264 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11264 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 11264 _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 . . . . . . . . . 11264 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11264 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11264 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 11264 _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 11264 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11264 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 . . 11264 1 2 $NMRPipe . . 11264 1 3 $NMRview . . 11264 1 4 $Kujira . . 11264 1 5 $CYANA . . 11264 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 8 8 SER HA H 1 4.532 0.030 . 1 . . . . 8 SER HA . 11264 1 2 . 1 1 8 8 SER HB2 H 1 3.916 0.030 . 1 . . . . 8 SER HB2 . 11264 1 3 . 1 1 8 8 SER HB3 H 1 3.916 0.030 . 1 . . . . 8 SER HB3 . 11264 1 4 . 1 1 8 8 SER C C 13 174.468 0.300 . 1 . . . . 8 SER C . 11264 1 5 . 1 1 8 8 SER CA C 13 58.313 0.300 . 1 . . . . 8 SER CA . 11264 1 6 . 1 1 8 8 SER CB C 13 64.149 0.300 . 1 . . . . 8 SER CB . 11264 1 7 . 1 1 9 9 GLY H H 1 8.292 0.030 . 1 . . . . 9 GLY H . 11264 1 8 . 1 1 9 9 GLY HA2 H 1 3.905 0.030 . 2 . . . . 9 GLY HA2 . 11264 1 9 . 1 1 9 9 GLY HA3 H 1 4.327 0.030 . 2 . . . . 9 GLY HA3 . 11264 1 10 . 1 1 9 9 GLY C C 13 173.482 0.300 . 1 . . . . 9 GLY C . 11264 1 11 . 1 1 9 9 GLY CA C 13 45.129 0.300 . 1 . . . . 9 GLY CA . 11264 1 12 . 1 1 9 9 GLY N N 15 110.185 0.300 . 1 . . . . 9 GLY N . 11264 1 13 . 1 1 10 10 GLY H H 1 8.712 0.030 . 1 . . . . 10 GLY H . 11264 1 14 . 1 1 10 10 GLY HA2 H 1 3.905 0.030 . 2 . . . . 10 GLY HA2 . 11264 1 15 . 1 1 10 10 GLY HA3 H 1 4.304 0.030 . 2 . . . . 10 GLY HA3 . 11264 1 16 . 1 1 10 10 GLY C C 13 171.414 0.300 . 1 . . . . 10 GLY C . 11264 1 17 . 1 1 10 10 GLY CA C 13 45.359 0.300 . 1 . . . . 10 GLY CA . 11264 1 18 . 1 1 10 10 GLY N N 15 108.680 0.300 . 1 . . . . 10 GLY N . 11264 1 19 . 1 1 11 11 THR H H 1 7.877 0.030 . 1 . . . . 11 THR H . 11264 1 20 . 1 1 11 11 THR HA H 1 5.286 0.030 . 1 . . . . 11 THR HA . 11264 1 21 . 1 1 11 11 THR HB H 1 3.895 0.030 . 1 . . . . 11 THR HB . 11264 1 22 . 1 1 11 11 THR HG21 H 1 1.044 0.030 . 1 . . . . 11 THR HG2 . 11264 1 23 . 1 1 11 11 THR HG22 H 1 1.044 0.030 . 1 . . . . 11 THR HG2 . 11264 1 24 . 1 1 11 11 THR HG23 H 1 1.044 0.030 . 1 . . . . 11 THR HG2 . 11264 1 25 . 1 1 11 11 THR C C 13 174.102 0.300 . 1 . . . . 11 THR C . 11264 1 26 . 1 1 11 11 THR CA C 13 59.654 0.300 . 1 . . . . 11 THR CA . 11264 1 27 . 1 1 11 11 THR CB C 13 71.470 0.300 . 1 . . . . 11 THR CB . 11264 1 28 . 1 1 11 11 THR CG2 C 13 21.872 0.300 . 1 . . . . 11 THR CG2 . 11264 1 29 . 1 1 11 11 THR N N 15 110.551 0.300 . 1 . . . . 11 THR N . 11264 1 30 . 1 1 12 12 LEU H H 1 8.523 0.030 . 1 . . . . 12 LEU H . 11264 1 31 . 1 1 12 12 LEU HA H 1 4.270 0.030 . 1 . . . . 12 LEU HA . 11264 1 32 . 1 1 12 12 LEU HB2 H 1 1.196 0.030 . 2 . . . . 12 LEU HB2 . 11264 1 33 . 1 1 12 12 LEU HB3 H 1 0.924 0.030 . 2 . . . . 12 LEU HB3 . 11264 1 34 . 1 1 12 12 LEU HD11 H 1 0.153 0.030 . 1 . . . . 12 LEU HD1 . 11264 1 35 . 1 1 12 12 LEU HD12 H 1 0.153 0.030 . 1 . . . . 12 LEU HD1 . 11264 1 36 . 1 1 12 12 LEU HD13 H 1 0.153 0.030 . 1 . . . . 12 LEU HD1 . 11264 1 37 . 1 1 12 12 LEU HD21 H 1 0.217 0.030 . 1 . . . . 12 LEU HD2 . 11264 1 38 . 1 1 12 12 LEU HD22 H 1 0.217 0.030 . 1 . . . . 12 LEU HD2 . 11264 1 39 . 1 1 12 12 LEU HD23 H 1 0.217 0.030 . 1 . . . . 12 LEU HD2 . 11264 1 40 . 1 1 12 12 LEU HG H 1 1.207 0.030 . 1 . . . . 12 LEU HG . 11264 1 41 . 1 1 12 12 LEU C C 13 175.149 0.300 . 1 . . . . 12 LEU C . 11264 1 42 . 1 1 12 12 LEU CA C 13 53.371 0.300 . 1 . . . . 12 LEU CA . 11264 1 43 . 1 1 12 12 LEU CB C 13 47.205 0.300 . 1 . . . . 12 LEU CB . 11264 1 44 . 1 1 12 12 LEU CD1 C 13 25.010 0.300 . 2 . . . . 12 LEU CD1 . 11264 1 45 . 1 1 12 12 LEU CD2 C 13 24.710 0.300 . 2 . . . . 12 LEU CD2 . 11264 1 46 . 1 1 12 12 LEU CG C 13 26.215 0.300 . 1 . . . . 12 LEU CG . 11264 1 47 . 1 1 12 12 LEU N N 15 121.487 0.300 . 1 . . . . 12 LEU N . 11264 1 48 . 1 1 13 13 ARG H H 1 8.204 0.030 . 1 . . . . 13 ARG H . 11264 1 49 . 1 1 13 13 ARG HA H 1 4.475 0.030 . 1 . . . . 13 ARG HA . 11264 1 50 . 1 1 13 13 ARG HB2 H 1 1.599 0.030 . 2 . . . . 13 ARG HB2 . 11264 1 51 . 1 1 13 13 ARG HB3 H 1 0.983 0.030 . 2 . . . . 13 ARG HB3 . 11264 1 52 . 1 1 13 13 ARG HD2 H 1 1.642 0.030 . 2 . . . . 13 ARG HD2 . 11264 1 53 . 1 1 13 13 ARG HD3 H 1 2.553 0.030 . 2 . . . . 13 ARG HD3 . 11264 1 54 . 1 1 13 13 ARG HG2 H 1 1.381 0.030 . 2 . . . . 13 ARG HG2 . 11264 1 55 . 1 1 13 13 ARG HG3 H 1 0.989 0.030 . 2 . . . . 13 ARG HG3 . 11264 1 56 . 1 1 13 13 ARG C C 13 174.893 0.300 . 1 . . . . 13 ARG C . 11264 1 57 . 1 1 13 13 ARG CA C 13 56.054 0.300 . 1 . . . . 13 ARG CA . 11264 1 58 . 1 1 13 13 ARG CB C 13 31.203 0.300 . 1 . . . . 13 ARG CB . 11264 1 59 . 1 1 13 13 ARG CD C 13 43.668 0.300 . 1 . . . . 13 ARG CD . 11264 1 60 . 1 1 13 13 ARG CG C 13 26.745 0.300 . 1 . . . . 13 ARG CG . 11264 1 61 . 1 1 13 13 ARG N N 15 123.352 0.300 . 1 . . . . 13 ARG N . 11264 1 62 . 1 1 14 14 ILE H H 1 8.828 0.030 . 1 . . . . 14 ILE H . 11264 1 63 . 1 1 14 14 ILE HA H 1 4.635 0.030 . 1 . . . . 14 ILE HA . 11264 1 64 . 1 1 14 14 ILE HB H 1 1.873 0.030 . 1 . . . . 14 ILE HB . 11264 1 65 . 1 1 14 14 ILE HD11 H 1 0.515 0.030 . 1 . . . . 14 ILE HD1 . 11264 1 66 . 1 1 14 14 ILE HD12 H 1 0.515 0.030 . 1 . . . . 14 ILE HD1 . 11264 1 67 . 1 1 14 14 ILE HD13 H 1 0.515 0.030 . 1 . . . . 14 ILE HD1 . 11264 1 68 . 1 1 14 14 ILE HG12 H 1 1.369 0.030 . 2 . . . . 14 ILE HG12 . 11264 1 69 . 1 1 14 14 ILE HG13 H 1 1.471 0.030 . 2 . . . . 14 ILE HG13 . 11264 1 70 . 1 1 14 14 ILE HG21 H 1 0.962 0.030 . 1 . . . . 14 ILE HG2 . 11264 1 71 . 1 1 14 14 ILE HG22 H 1 0.962 0.030 . 1 . . . . 14 ILE HG2 . 11264 1 72 . 1 1 14 14 ILE HG23 H 1 0.962 0.030 . 1 . . . . 14 ILE HG2 . 11264 1 73 . 1 1 14 14 ILE C C 13 176.328 0.300 . 1 . . . . 14 ILE C . 11264 1 74 . 1 1 14 14 ILE CA C 13 58.277 0.300 . 1 . . . . 14 ILE CA . 11264 1 75 . 1 1 14 14 ILE CB C 13 38.417 0.300 . 1 . . . . 14 ILE CB . 11264 1 76 . 1 1 14 14 ILE CD1 C 13 9.888 0.300 . 1 . . . . 14 ILE CD1 . 11264 1 77 . 1 1 14 14 ILE CG1 C 13 25.382 0.300 . 1 . . . . 14 ILE CG1 . 11264 1 78 . 1 1 14 14 ILE CG2 C 13 17.019 0.300 . 1 . . . . 14 ILE CG2 . 11264 1 79 . 1 1 14 14 ILE N N 15 123.999 0.300 . 1 . . . . 14 ILE N . 11264 1 80 . 1 1 15 15 TYR H H 1 9.047 0.030 . 1 . . . . 15 TYR H . 11264 1 81 . 1 1 15 15 TYR HA H 1 4.601 0.030 . 1 . . . . 15 TYR HA . 11264 1 82 . 1 1 15 15 TYR HB2 H 1 2.819 0.030 . 2 . . . . 15 TYR HB2 . 11264 1 83 . 1 1 15 15 TYR HB3 H 1 3.139 0.030 . 2 . . . . 15 TYR HB3 . 11264 1 84 . 1 1 15 15 TYR HD1 H 1 7.475 0.030 . 1 . . . . 15 TYR HD1 . 11264 1 85 . 1 1 15 15 TYR HD2 H 1 7.475 0.030 . 1 . . . . 15 TYR HD2 . 11264 1 86 . 1 1 15 15 TYR HE1 H 1 6.709 0.030 . 1 . . . . 15 TYR HE1 . 11264 1 87 . 1 1 15 15 TYR HE2 H 1 6.709 0.030 . 1 . . . . 15 TYR HE2 . 11264 1 88 . 1 1 15 15 TYR C C 13 174.176 0.300 . 1 . . . . 15 TYR C . 11264 1 89 . 1 1 15 15 TYR CA C 13 59.124 0.300 . 1 . . . . 15 TYR CA . 11264 1 90 . 1 1 15 15 TYR CB C 13 40.954 0.300 . 1 . . . . 15 TYR CB . 11264 1 91 . 1 1 15 15 TYR CD1 C 13 134.502 0.300 . 1 . . . . 15 TYR CD1 . 11264 1 92 . 1 1 15 15 TYR CD2 C 13 134.502 0.300 . 1 . . . . 15 TYR CD2 . 11264 1 93 . 1 1 15 15 TYR CE1 C 13 117.771 0.300 . 1 . . . . 15 TYR CE1 . 11264 1 94 . 1 1 15 15 TYR CE2 C 13 117.771 0.300 . 1 . . . . 15 TYR CE2 . 11264 1 95 . 1 1 15 15 TYR N N 15 130.751 0.300 . 1 . . . . 15 TYR N . 11264 1 96 . 1 1 16 16 ALA H H 1 8.885 0.030 . 1 . . . . 16 ALA H . 11264 1 97 . 1 1 16 16 ALA HA H 1 5.035 0.030 . 1 . . . . 16 ALA HA . 11264 1 98 . 1 1 16 16 ALA HB1 H 1 0.623 0.030 . 1 . . . . 16 ALA HB . 11264 1 99 . 1 1 16 16 ALA HB2 H 1 0.623 0.030 . 1 . . . . 16 ALA HB . 11264 1 100 . 1 1 16 16 ALA HB3 H 1 0.623 0.030 . 1 . . . . 16 ALA HB . 11264 1 101 . 1 1 16 16 ALA C C 13 178.324 0.300 . 1 . . . . 16 ALA C . 11264 1 102 . 1 1 16 16 ALA CA C 13 50.793 0.300 . 1 . . . . 16 ALA CA . 11264 1 103 . 1 1 16 16 ALA CB C 13 18.500 0.300 . 1 . . . . 16 ALA CB . 11264 1 104 . 1 1 16 16 ALA N N 15 124.305 0.300 . 1 . . . . 16 ALA N . 11264 1 105 . 1 1 17 17 ASP H H 1 8.523 0.030 . 1 . . . . 17 ASP H . 11264 1 106 . 1 1 17 17 ASP HA H 1 4.338 0.030 . 1 . . . . 17 ASP HA . 11264 1 107 . 1 1 17 17 ASP HB2 H 1 2.558 0.030 . 2 . . . . 17 ASP HB2 . 11264 1 108 . 1 1 17 17 ASP HB3 H 1 2.706 0.030 . 2 . . . . 17 ASP HB3 . 11264 1 109 . 1 1 17 17 ASP C C 13 177.411 0.300 . 1 . . . . 17 ASP C . 11264 1 110 . 1 1 17 17 ASP CA C 13 58.348 0.300 . 1 . . . . 17 ASP CA . 11264 1 111 . 1 1 17 17 ASP CB C 13 41.653 0.300 . 1 . . . . 17 ASP CB . 11264 1 112 . 1 1 17 17 ASP N N 15 121.363 0.300 . 1 . . . . 17 ASP N . 11264 1 113 . 1 1 18 18 SER H H 1 8.859 0.030 . 1 . . . . 18 SER H . 11264 1 114 . 1 1 18 18 SER HA H 1 4.327 0.030 . 1 . . . . 18 SER HA . 11264 1 115 . 1 1 18 18 SER HB2 H 1 3.893 0.030 . 1 . . . . 18 SER HB2 . 11264 1 116 . 1 1 18 18 SER HB3 H 1 3.893 0.030 . 1 . . . . 18 SER HB3 . 11264 1 117 . 1 1 18 18 SER C C 13 174.553 0.300 . 1 . . . . 18 SER C . 11264 1 118 . 1 1 18 18 SER CA C 13 59.866 0.300 . 1 . . . . 18 SER CA . 11264 1 119 . 1 1 18 18 SER CB C 13 63.491 0.300 . 1 . . . . 18 SER CB . 11264 1 120 . 1 1 18 18 SER N N 15 111.457 0.300 . 1 . . . . 18 SER N . 11264 1 121 . 1 1 19 19 LEU H H 1 7.651 0.030 . 1 . . . . 19 LEU H . 11264 1 122 . 1 1 19 19 LEU HA H 1 4.487 0.030 . 1 . . . . 19 LEU HA . 11264 1 123 . 1 1 19 19 LEU HB2 H 1 1.413 0.030 . 2 . . . . 19 LEU HB2 . 11264 1 124 . 1 1 19 19 LEU HB3 H 1 1.565 0.030 . 2 . . . . 19 LEU HB3 . 11264 1 125 . 1 1 19 19 LEU HD11 H 1 0.844 0.030 . 1 . . . . 19 LEU HD1 . 11264 1 126 . 1 1 19 19 LEU HD12 H 1 0.844 0.030 . 1 . . . . 19 LEU HD1 . 11264 1 127 . 1 1 19 19 LEU HD13 H 1 0.844 0.030 . 1 . . . . 19 LEU HD1 . 11264 1 128 . 1 1 19 19 LEU HD21 H 1 0.673 0.030 . 1 . . . . 19 LEU HD2 . 11264 1 129 . 1 1 19 19 LEU HD22 H 1 0.673 0.030 . 1 . . . . 19 LEU HD2 . 11264 1 130 . 1 1 19 19 LEU HD23 H 1 0.673 0.030 . 1 . . . . 19 LEU HD2 . 11264 1 131 . 1 1 19 19 LEU HG H 1 1.574 0.030 . 1 . . . . 19 LEU HG . 11264 1 132 . 1 1 19 19 LEU C C 13 176.694 0.300 . 1 . . . . 19 LEU C . 11264 1 133 . 1 1 19 19 LEU CA C 13 55.842 0.300 . 1 . . . . 19 LEU CA . 11264 1 134 . 1 1 19 19 LEU CB C 13 43.776 0.300 . 1 . . . . 19 LEU CB . 11264 1 135 . 1 1 19 19 LEU CD1 C 13 23.568 0.300 . 2 . . . . 19 LEU CD1 . 11264 1 136 . 1 1 19 19 LEU CD2 C 13 25.421 0.300 . 2 . . . . 19 LEU CD2 . 11264 1 137 . 1 1 19 19 LEU CG C 13 26.745 0.300 . 1 . . . . 19 LEU CG . 11264 1 138 . 1 1 19 19 LEU N N 15 121.302 0.300 . 1 . . . . 19 LEU N . 11264 1 139 . 1 1 20 20 LYS H H 1 8.111 0.030 . 1 . . . . 20 LYS H . 11264 1 140 . 1 1 20 20 LYS HA H 1 4.700 0.030 . 1 . . . . 20 LYS HA . 11264 1 141 . 1 1 20 20 LYS HB2 H 1 1.731 0.030 . 2 . . . . 20 LYS HB2 . 11264 1 142 . 1 1 20 20 LYS HB3 H 1 1.825 0.030 . 2 . . . . 20 LYS HB3 . 11264 1 143 . 1 1 20 20 LYS HD2 H 1 1.725 0.030 . 2 . . . . 20 LYS HD2 . 11264 1 144 . 1 1 20 20 LYS HD3 H 1 1.841 0.030 . 2 . . . . 20 LYS HD3 . 11264 1 145 . 1 1 20 20 LYS HE2 H 1 3.047 0.030 . 2 . . . . 20 LYS HE2 . 11264 1 146 . 1 1 20 20 LYS HE3 H 1 2.946 0.030 . 2 . . . . 20 LYS HE3 . 11264 1 147 . 1 1 20 20 LYS HG2 H 1 1.271 0.030 . 2 . . . . 20 LYS HG2 . 11264 1 148 . 1 1 20 20 LYS HG3 H 1 1.438 0.030 . 2 . . . . 20 LYS HG3 . 11264 1 149 . 1 1 20 20 LYS C C 13 172.600 0.300 . 1 . . . . 20 LYS C . 11264 1 150 . 1 1 20 20 LYS CA C 13 53.230 0.300 . 1 . . . . 20 LYS CA . 11264 1 151 . 1 1 20 20 LYS CB C 13 33.634 0.300 . 1 . . . . 20 LYS CB . 11264 1 152 . 1 1 20 20 LYS CD C 13 29.392 0.300 . 1 . . . . 20 LYS CD . 11264 1 153 . 1 1 20 20 LYS CE C 13 42.362 0.300 . 1 . . . . 20 LYS CE . 11264 1 154 . 1 1 20 20 LYS CG C 13 24.362 0.300 . 1 . . . . 20 LYS CG . 11264 1 155 . 1 1 20 20 LYS N N 15 118.148 0.300 . 1 . . . . 20 LYS N . 11264 1 156 . 1 1 21 21 PRO HA H 1 4.487 0.030 . 1 . . . . 21 PRO HA . 11264 1 157 . 1 1 21 21 PRO HB2 H 1 2.399 0.030 . 2 . . . . 21 PRO HB2 . 11264 1 158 . 1 1 21 21 PRO HB3 H 1 1.953 0.030 . 2 . . . . 21 PRO HB3 . 11264 1 159 . 1 1 21 21 PRO HD2 H 1 3.414 0.030 . 2 . . . . 21 PRO HD2 . 11264 1 160 . 1 1 21 21 PRO HD3 H 1 3.654 0.030 . 2 . . . . 21 PRO HD3 . 11264 1 161 . 1 1 21 21 PRO HG2 H 1 1.999 0.030 . 1 . . . . 21 PRO HG2 . 11264 1 162 . 1 1 21 21 PRO HG3 H 1 1.999 0.030 . 1 . . . . 21 PRO HG3 . 11264 1 163 . 1 1 21 21 PRO C C 13 177.302 0.300 . 1 . . . . 21 PRO C . 11264 1 164 . 1 1 21 21 PRO CA C 13 63.925 0.300 . 1 . . . . 21 PRO CA . 11264 1 165 . 1 1 21 21 PRO CB C 13 32.181 0.300 . 1 . . . . 21 PRO CB . 11264 1 166 . 1 1 21 21 PRO CD C 13 50.331 0.300 . 1 . . . . 21 PRO CD . 11264 1 167 . 1 1 21 21 PRO CG C 13 27.136 0.300 . 1 . . . . 21 PRO CG . 11264 1 168 . 1 1 22 22 ASN H H 1 8.885 0.030 . 1 . . . . 22 ASN H . 11264 1 169 . 1 1 22 22 ASN HA H 1 4.521 0.030 . 1 . . . . 22 ASN HA . 11264 1 170 . 1 1 22 22 ASN HB2 H 1 2.923 0.030 . 1 . . . . 22 ASN HB2 . 11264 1 171 . 1 1 22 22 ASN HB3 H 1 2.923 0.030 . 1 . . . . 22 ASN HB3 . 11264 1 172 . 1 1 22 22 ASN HD21 H 1 6.953 0.030 . 2 . . . . 22 ASN HD21 . 11264 1 173 . 1 1 22 22 ASN HD22 H 1 7.599 0.030 . 2 . . . . 22 ASN HD22 . 11264 1 174 . 1 1 22 22 ASN C C 13 174.468 0.300 . 1 . . . . 22 ASN C . 11264 1 175 . 1 1 22 22 ASN CA C 13 54.183 0.300 . 1 . . . . 22 ASN CA . 11264 1 176 . 1 1 22 22 ASN CB C 13 37.788 0.300 . 1 . . . . 22 ASN CB . 11264 1 177 . 1 1 22 22 ASN N N 15 114.759 0.300 . 1 . . . . 22 ASN N . 11264 1 178 . 1 1 22 22 ASN ND2 N 15 113.693 0.300 . 1 . . . . 22 ASN ND2 . 11264 1 179 . 1 1 23 23 ILE H H 1 7.723 0.030 . 1 . . . . 23 ILE H . 11264 1 180 . 1 1 23 23 ILE HA H 1 4.628 0.030 . 1 . . . . 23 ILE HA . 11264 1 181 . 1 1 23 23 ILE HB H 1 2.044 0.030 . 1 . . . . 23 ILE HB . 11264 1 182 . 1 1 23 23 ILE HD11 H 1 0.881 0.030 . 1 . . . . 23 ILE HD1 . 11264 1 183 . 1 1 23 23 ILE HD12 H 1 0.881 0.030 . 1 . . . . 23 ILE HD1 . 11264 1 184 . 1 1 23 23 ILE HD13 H 1 0.881 0.030 . 1 . . . . 23 ILE HD1 . 11264 1 185 . 1 1 23 23 ILE HG12 H 1 1.276 0.030 . 2 . . . . 23 ILE HG12 . 11264 1 186 . 1 1 23 23 ILE HG13 H 1 1.502 0.030 . 2 . . . . 23 ILE HG13 . 11264 1 187 . 1 1 23 23 ILE HG21 H 1 0.891 0.030 . 1 . . . . 23 ILE HG2 . 11264 1 188 . 1 1 23 23 ILE HG22 H 1 0.891 0.030 . 1 . . . . 23 ILE HG2 . 11264 1 189 . 1 1 23 23 ILE HG23 H 1 0.891 0.030 . 1 . . . . 23 ILE HG2 . 11264 1 190 . 1 1 23 23 ILE C C 13 173.982 0.300 . 1 . . . . 23 ILE C . 11264 1 191 . 1 1 23 23 ILE CA C 13 57.889 0.300 . 1 . . . . 23 ILE CA . 11264 1 192 . 1 1 23 23 ILE CB C 13 38.921 0.300 . 1 . . . . 23 ILE CB . 11264 1 193 . 1 1 23 23 ILE CD1 C 13 13.003 0.300 . 1 . . . . 23 ILE CD1 . 11264 1 194 . 1 1 23 23 ILE CG1 C 13 27.009 0.300 . 1 . . . . 23 ILE CG1 . 11264 1 195 . 1 1 23 23 ILE CG2 C 13 17.634 0.300 . 1 . . . . 23 ILE CG2 . 11264 1 196 . 1 1 23 23 ILE N N 15 120.973 0.300 . 1 . . . . 23 ILE N . 11264 1 197 . 1 1 24 24 PRO HA H 1 4.369 0.030 . 1 . . . . 24 PRO HA . 11264 1 198 . 1 1 24 24 PRO HB2 H 1 2.267 0.030 . 2 . . . . 24 PRO HB2 . 11264 1 199 . 1 1 24 24 PRO HB3 H 1 1.732 0.030 . 2 . . . . 24 PRO HB3 . 11264 1 200 . 1 1 24 24 PRO HD2 H 1 3.619 0.030 . 2 . . . . 24 PRO HD2 . 11264 1 201 . 1 1 24 24 PRO HD3 H 1 3.848 0.030 . 2 . . . . 24 PRO HD3 . 11264 1 202 . 1 1 24 24 PRO HG2 H 1 1.896 0.030 . 1 . . . . 24 PRO HG2 . 11264 1 203 . 1 1 24 24 PRO HG3 H 1 1.896 0.030 . 1 . . . . 24 PRO HG3 . 11264 1 204 . 1 1 24 24 PRO C C 13 176.203 0.300 . 1 . . . . 24 PRO C . 11264 1 205 . 1 1 24 24 PRO CA C 13 64.207 0.300 . 1 . . . . 24 PRO CA . 11264 1 206 . 1 1 24 24 PRO CB C 13 32.303 0.300 . 1 . . . . 24 PRO CB . 11264 1 207 . 1 1 24 24 PRO CD C 13 50.975 0.300 . 1 . . . . 24 PRO CD . 11264 1 208 . 1 1 24 24 PRO CG C 13 27.630 0.300 . 1 . . . . 24 PRO CG . 11264 1 209 . 1 1 25 25 TYR H H 1 6.660 0.030 . 1 . . . . 25 TYR H . 11264 1 210 . 1 1 25 25 TYR HA H 1 4.772 0.030 . 1 . . . . 25 TYR HA . 11264 1 211 . 1 1 25 25 TYR HB2 H 1 2.136 0.030 . 2 . . . . 25 TYR HB2 . 11264 1 212 . 1 1 25 25 TYR HB3 H 1 2.341 0.030 . 2 . . . . 25 TYR HB3 . 11264 1 213 . 1 1 25 25 TYR HD1 H 1 6.665 0.030 . 1 . . . . 25 TYR HD1 . 11264 1 214 . 1 1 25 25 TYR HD2 H 1 6.665 0.030 . 1 . . . . 25 TYR HD2 . 11264 1 215 . 1 1 25 25 TYR HE1 H 1 6.635 0.030 . 1 . . . . 25 TYR HE1 . 11264 1 216 . 1 1 25 25 TYR HE2 H 1 6.635 0.030 . 1 . . . . 25 TYR HE2 . 11264 1 217 . 1 1 25 25 TYR C C 13 174.382 0.300 . 1 . . . . 25 TYR C . 11264 1 218 . 1 1 25 25 TYR CA C 13 56.760 0.300 . 1 . . . . 25 TYR CA . 11264 1 219 . 1 1 25 25 TYR CB C 13 37.376 0.300 . 1 . . . . 25 TYR CB . 11264 1 220 . 1 1 25 25 TYR CD1 C 13 133.206 0.300 . 1 . . . . 25 TYR CD1 . 11264 1 221 . 1 1 25 25 TYR CD2 C 13 133.206 0.300 . 1 . . . . 25 TYR CD2 . 11264 1 222 . 1 1 25 25 TYR CE1 C 13 117.723 0.300 . 1 . . . . 25 TYR CE1 . 11264 1 223 . 1 1 25 25 TYR CE2 C 13 117.723 0.300 . 1 . . . . 25 TYR CE2 . 11264 1 224 . 1 1 25 25 TYR N N 15 111.898 0.300 . 1 . . . . 25 TYR N . 11264 1 225 . 1 1 26 26 LYS H H 1 7.588 0.030 . 1 . . . . 26 LYS H . 11264 1 226 . 1 1 26 26 LYS HA H 1 4.510 0.030 . 1 . . . . 26 LYS HA . 11264 1 227 . 1 1 26 26 LYS HB2 H 1 1.122 0.030 . 2 . . . . 26 LYS HB2 . 11264 1 228 . 1 1 26 26 LYS HB3 H 1 1.295 0.030 . 2 . . . . 26 LYS HB3 . 11264 1 229 . 1 1 26 26 LYS HD2 H 1 1.012 0.030 . 2 . . . . 26 LYS HD2 . 11264 1 230 . 1 1 26 26 LYS HD3 H 1 1.383 0.030 . 2 . . . . 26 LYS HD3 . 11264 1 231 . 1 1 26 26 LYS HE2 H 1 2.410 0.030 . 2 . . . . 26 LYS HE2 . 11264 1 232 . 1 1 26 26 LYS HE3 H 1 2.615 0.030 . 2 . . . . 26 LYS HE3 . 11264 1 233 . 1 1 26 26 LYS HG2 H 1 -0.011 0.030 . 2 . . . . 26 LYS HG2 . 11264 1 234 . 1 1 26 26 LYS HG3 H 1 0.549 0.030 . 2 . . . . 26 LYS HG3 . 11264 1 235 . 1 1 26 26 LYS C C 13 174.796 0.300 . 1 . . . . 26 LYS C . 11264 1 236 . 1 1 26 26 LYS CA C 13 52.541 0.300 . 1 . . . . 26 LYS CA . 11264 1 237 . 1 1 26 26 LYS CB C 13 35.733 0.300 . 1 . . . . 26 LYS CB . 11264 1 238 . 1 1 26 26 LYS CD C 13 27.803 0.300 . 1 . . . . 26 LYS CD . 11264 1 239 . 1 1 26 26 LYS CE C 13 42.144 0.300 . 1 . . . . 26 LYS CE . 11264 1 240 . 1 1 26 26 LYS CG C 13 22.941 0.300 . 1 . . . . 26 LYS CG . 11264 1 241 . 1 1 26 26 LYS N N 15 117.377 0.300 . 1 . . . . 26 LYS N . 11264 1 242 . 1 1 27 27 THR H H 1 8.202 0.030 . 1 . . . . 27 THR H . 11264 1 243 . 1 1 27 27 THR HA H 1 5.092 0.030 . 1 . . . . 27 THR HA . 11264 1 244 . 1 1 27 27 THR HB H 1 3.848 0.030 . 1 . . . . 27 THR HB . 11264 1 245 . 1 1 27 27 THR HG21 H 1 1.052 0.030 . 1 . . . . 27 THR HG2 . 11264 1 246 . 1 1 27 27 THR HG22 H 1 1.052 0.030 . 1 . . . . 27 THR HG2 . 11264 1 247 . 1 1 27 27 THR HG23 H 1 1.052 0.030 . 1 . . . . 27 THR HG2 . 11264 1 248 . 1 1 27 27 THR C C 13 174.370 0.300 . 1 . . . . 27 THR C . 11264 1 249 . 1 1 27 27 THR CA C 13 60.924 0.300 . 1 . . . . 27 THR CA . 11264 1 250 . 1 1 27 27 THR CB C 13 70.235 0.300 . 1 . . . . 27 THR CB . 11264 1 251 . 1 1 27 27 THR CG2 C 13 21.872 0.300 . 1 . . . . 27 THR CG2 . 11264 1 252 . 1 1 27 27 THR N N 15 114.945 0.300 . 1 . . . . 27 THR N . 11264 1 253 . 1 1 28 28 ILE H H 1 8.596 0.030 . 1 . . . . 28 ILE H . 11264 1 254 . 1 1 28 28 ILE HA H 1 4.672 0.030 . 1 . . . . 28 ILE HA . 11264 1 255 . 1 1 28 28 ILE HB H 1 1.725 0.030 . 1 . . . . 28 ILE HB . 11264 1 256 . 1 1 28 28 ILE HD11 H 1 0.675 0.030 . 1 . . . . 28 ILE HD1 . 11264 1 257 . 1 1 28 28 ILE HD12 H 1 0.675 0.030 . 1 . . . . 28 ILE HD1 . 11264 1 258 . 1 1 28 28 ILE HD13 H 1 0.675 0.030 . 1 . . . . 28 ILE HD1 . 11264 1 259 . 1 1 28 28 ILE HG12 H 1 1.265 0.030 . 2 . . . . 28 ILE HG12 . 11264 1 260 . 1 1 28 28 ILE HG13 H 1 1.019 0.030 . 2 . . . . 28 ILE HG13 . 11264 1 261 . 1 1 28 28 ILE HG21 H 1 0.646 0.030 . 1 . . . . 28 ILE HG2 . 11264 1 262 . 1 1 28 28 ILE HG22 H 1 0.646 0.030 . 1 . . . . 28 ILE HG2 . 11264 1 263 . 1 1 28 28 ILE HG23 H 1 0.646 0.030 . 1 . . . . 28 ILE HG2 . 11264 1 264 . 1 1 28 28 ILE C C 13 173.226 0.300 . 1 . . . . 28 ILE C . 11264 1 265 . 1 1 28 28 ILE CA C 13 58.931 0.300 . 1 . . . . 28 ILE CA . 11264 1 266 . 1 1 28 28 ILE CB C 13 41.242 0.300 . 1 . . . . 28 ILE CB . 11264 1 267 . 1 1 28 28 ILE CD1 C 13 14.510 0.300 . 1 . . . . 28 ILE CD1 . 11264 1 268 . 1 1 28 28 ILE CG1 C 13 25.162 0.300 . 1 . . . . 28 ILE CG1 . 11264 1 269 . 1 1 28 28 ILE CG2 C 13 17.266 0.300 . 1 . . . . 28 ILE CG2 . 11264 1 270 . 1 1 28 28 ILE N N 15 117.733 0.300 . 1 . . . . 28 ILE N . 11264 1 271 . 1 1 29 29 LEU H H 1 8.279 0.030 . 1 . . . . 29 LEU H . 11264 1 272 . 1 1 29 29 LEU HA H 1 4.783 0.030 . 1 . . . . 29 LEU HA . 11264 1 273 . 1 1 29 29 LEU HB2 H 1 1.440 0.030 . 2 . . . . 29 LEU HB2 . 11264 1 274 . 1 1 29 29 LEU HB3 H 1 1.641 0.030 . 2 . . . . 29 LEU HB3 . 11264 1 275 . 1 1 29 29 LEU HD11 H 1 0.768 0.030 . 1 . . . . 29 LEU HD1 . 11264 1 276 . 1 1 29 29 LEU HD12 H 1 0.768 0.030 . 1 . . . . 29 LEU HD1 . 11264 1 277 . 1 1 29 29 LEU HD13 H 1 0.768 0.030 . 1 . . . . 29 LEU HD1 . 11264 1 278 . 1 1 29 29 LEU HD21 H 1 0.772 0.030 . 1 . . . . 29 LEU HD2 . 11264 1 279 . 1 1 29 29 LEU HD22 H 1 0.772 0.030 . 1 . . . . 29 LEU HD2 . 11264 1 280 . 1 1 29 29 LEU HD23 H 1 0.772 0.030 . 1 . . . . 29 LEU HD2 . 11264 1 281 . 1 1 29 29 LEU HG H 1 1.447 0.030 . 1 . . . . 29 LEU HG . 11264 1 282 . 1 1 29 29 LEU C C 13 175.928 0.300 . 1 . . . . 29 LEU C . 11264 1 283 . 1 1 29 29 LEU CA C 13 54.342 0.300 . 1 . . . . 29 LEU CA . 11264 1 284 . 1 1 29 29 LEU CB C 13 43.175 0.300 . 1 . . . . 29 LEU CB . 11264 1 285 . 1 1 29 29 LEU CD1 C 13 24.098 0.300 . 2 . . . . 29 LEU CD1 . 11264 1 286 . 1 1 29 29 LEU CD2 C 13 25.157 0.300 . 2 . . . . 29 LEU CD2 . 11264 1 287 . 1 1 29 29 LEU CG C 13 27.803 0.300 . 1 . . . . 29 LEU CG . 11264 1 288 . 1 1 29 29 LEU N N 15 124.368 0.300 . 1 . . . . 29 LEU N . 11264 1 289 . 1 1 30 30 LEU H H 1 8.480 0.030 . 1 . . . . 30 LEU H . 11264 1 290 . 1 1 30 30 LEU HA H 1 4.989 0.030 . 1 . . . . 30 LEU HA . 11264 1 291 . 1 1 30 30 LEU HB2 H 1 1.763 0.030 . 2 . . . . 30 LEU HB2 . 11264 1 292 . 1 1 30 30 LEU HB3 H 1 1.859 0.030 . 2 . . . . 30 LEU HB3 . 11264 1 293 . 1 1 30 30 LEU HD11 H 1 0.955 0.030 . 1 . . . . 30 LEU HD1 . 11264 1 294 . 1 1 30 30 LEU HD12 H 1 0.955 0.030 . 1 . . . . 30 LEU HD1 . 11264 1 295 . 1 1 30 30 LEU HD13 H 1 0.955 0.030 . 1 . . . . 30 LEU HD1 . 11264 1 296 . 1 1 30 30 LEU HD21 H 1 0.731 0.030 . 1 . . . . 30 LEU HD2 . 11264 1 297 . 1 1 30 30 LEU HD22 H 1 0.731 0.030 . 1 . . . . 30 LEU HD2 . 11264 1 298 . 1 1 30 30 LEU HD23 H 1 0.731 0.030 . 1 . . . . 30 LEU HD2 . 11264 1 299 . 1 1 30 30 LEU HG H 1 1.622 0.030 . 1 . . . . 30 LEU HG . 11264 1 300 . 1 1 30 30 LEU C C 13 174.674 0.300 . 1 . . . . 30 LEU C . 11264 1 301 . 1 1 30 30 LEU CA C 13 53.742 0.300 . 1 . . . . 30 LEU CA . 11264 1 302 . 1 1 30 30 LEU CB C 13 46.136 0.300 . 1 . . . . 30 LEU CB . 11264 1 303 . 1 1 30 30 LEU CD1 C 13 24.247 0.300 . 2 . . . . 30 LEU CD1 . 11264 1 304 . 1 1 30 30 LEU CD2 C 13 27.506 0.300 . 2 . . . . 30 LEU CD2 . 11264 1 305 . 1 1 30 30 LEU CG C 13 27.218 0.300 . 1 . . . . 30 LEU CG . 11264 1 306 . 1 1 30 30 LEU N N 15 124.129 0.300 . 1 . . . . 30 LEU N . 11264 1 307 . 1 1 31 31 SER H H 1 9.596 0.030 . 1 . . . . 31 SER H . 11264 1 308 . 1 1 31 31 SER HA H 1 5.179 0.030 . 1 . . . . 31 SER HA . 11264 1 309 . 1 1 31 31 SER HB2 H 1 3.704 0.030 . 2 . . . . 31 SER HB2 . 11264 1 310 . 1 1 31 31 SER HB3 H 1 3.977 0.030 . 2 . . . . 31 SER HB3 . 11264 1 311 . 1 1 31 31 SER C C 13 177.837 0.300 . 1 . . . . 31 SER C . 11264 1 312 . 1 1 31 31 SER CA C 13 56.474 0.300 . 1 . . . . 31 SER CA . 11264 1 313 . 1 1 31 31 SER CB C 13 65.446 0.300 . 1 . . . . 31 SER CB . 11264 1 314 . 1 1 31 31 SER N N 15 116.016 0.300 . 1 . . . . 31 SER N . 11264 1 315 . 1 1 32 32 THR H H 1 8.863 0.030 . 1 . . . . 32 THR H . 11264 1 316 . 1 1 32 32 THR HA H 1 3.832 0.030 . 1 . . . . 32 THR HA . 11264 1 317 . 1 1 32 32 THR HB H 1 4.448 0.030 . 1 . . . . 32 THR HB . 11264 1 318 . 1 1 32 32 THR HG21 H 1 1.240 0.030 . 1 . . . . 32 THR HG2 . 11264 1 319 . 1 1 32 32 THR HG22 H 1 1.240 0.030 . 1 . . . . 32 THR HG2 . 11264 1 320 . 1 1 32 32 THR HG23 H 1 1.240 0.030 . 1 . . . . 32 THR HG2 . 11264 1 321 . 1 1 32 32 THR C C 13 174.066 0.300 . 1 . . . . 32 THR C . 11264 1 322 . 1 1 32 32 THR CA C 13 65.584 0.300 . 1 . . . . 32 THR CA . 11264 1 323 . 1 1 32 32 THR CB C 13 68.755 0.300 . 1 . . . . 32 THR CB . 11264 1 324 . 1 1 32 32 THR CG2 C 13 23.270 0.300 . 1 . . . . 32 THR CG2 . 11264 1 325 . 1 1 32 32 THR N N 15 114.296 0.300 . 1 . . . . 32 THR N . 11264 1 326 . 1 1 33 33 THR H H 1 7.537 0.030 . 1 . . . . 33 THR H . 11264 1 327 . 1 1 33 33 THR HA H 1 4.559 0.030 . 1 . . . . 33 THR HA . 11264 1 328 . 1 1 33 33 THR HB H 1 4.409 0.030 . 1 . . . . 33 THR HB . 11264 1 329 . 1 1 33 33 THR HG21 H 1 1.086 0.030 . 1 . . . . 33 THR HG2 . 11264 1 330 . 1 1 33 33 THR HG22 H 1 1.086 0.030 . 1 . . . . 33 THR HG2 . 11264 1 331 . 1 1 33 33 THR HG23 H 1 1.086 0.030 . 1 . . . . 33 THR HG2 . 11264 1 332 . 1 1 33 33 THR C C 13 175.526 0.300 . 1 . . . . 33 THR C . 11264 1 333 . 1 1 33 33 THR CA C 13 61.207 0.300 . 1 . . . . 33 THR CA . 11264 1 334 . 1 1 33 33 THR CB C 13 68.918 0.300 . 1 . . . . 33 THR CB . 11264 1 335 . 1 1 33 33 THR CG2 C 13 21.715 0.300 . 1 . . . . 33 THR CG2 . 11264 1 336 . 1 1 33 33 THR N N 15 105.825 0.300 . 1 . . . . 33 THR N . 11264 1 337 . 1 1 34 34 ASP H H 1 7.169 0.030 . 1 . . . . 34 ASP H . 11264 1 338 . 1 1 34 34 ASP HA H 1 4.738 0.030 . 1 . . . . 34 ASP HA . 11264 1 339 . 1 1 34 34 ASP HB2 H 1 2.763 0.030 . 2 . . . . 34 ASP HB2 . 11264 1 340 . 1 1 34 34 ASP HB3 H 1 2.512 0.030 . 2 . . . . 34 ASP HB3 . 11264 1 341 . 1 1 34 34 ASP C C 13 176.937 0.300 . 1 . . . . 34 ASP C . 11264 1 342 . 1 1 34 34 ASP CA C 13 55.330 0.300 . 1 . . . . 34 ASP CA . 11264 1 343 . 1 1 34 34 ASP CB C 13 42.599 0.300 . 1 . . . . 34 ASP CB . 11264 1 344 . 1 1 34 34 ASP N N 15 124.202 0.300 . 1 . . . . 34 ASP N . 11264 1 345 . 1 1 35 35 THR H H 1 8.266 0.030 . 1 . . . . 35 THR H . 11264 1 346 . 1 1 35 35 THR HA H 1 4.932 0.030 . 1 . . . . 35 THR HA . 11264 1 347 . 1 1 35 35 THR HB H 1 5.491 0.030 . 1 . . . . 35 THR HB . 11264 1 348 . 1 1 35 35 THR HG21 H 1 1.268 0.030 . 1 . . . . 35 THR HG2 . 11264 1 349 . 1 1 35 35 THR HG22 H 1 1.268 0.030 . 1 . . . . 35 THR HG2 . 11264 1 350 . 1 1 35 35 THR HG23 H 1 1.268 0.030 . 1 . . . . 35 THR HG2 . 11264 1 351 . 1 1 35 35 THR C C 13 176.572 0.300 . 1 . . . . 35 THR C . 11264 1 352 . 1 1 35 35 THR CA C 13 60.872 0.300 . 1 . . . . 35 THR CA . 11264 1 353 . 1 1 35 35 THR CB C 13 70.276 0.300 . 1 . . . . 35 THR CB . 11264 1 354 . 1 1 35 35 THR CG2 C 13 22.914 0.300 . 1 . . . . 35 THR CG2 . 11264 1 355 . 1 1 35 35 THR N N 15 111.812 0.300 . 1 . . . . 35 THR N . 11264 1 356 . 1 1 36 36 ALA H H 1 8.557 0.030 . 1 . . . . 36 ALA H . 11264 1 357 . 1 1 36 36 ALA HA H 1 3.760 0.030 . 1 . . . . 36 ALA HA . 11264 1 358 . 1 1 36 36 ALA HB1 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11264 1 359 . 1 1 36 36 ALA HB2 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11264 1 360 . 1 1 36 36 ALA HB3 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11264 1 361 . 1 1 36 36 ALA C C 13 178.069 0.300 . 1 . . . . 36 ALA C . 11264 1 362 . 1 1 36 36 ALA CA C 13 55.772 0.300 . 1 . . . . 36 ALA CA . 11264 1 363 . 1 1 36 36 ALA CB C 13 18.705 0.300 . 1 . . . . 36 ALA CB . 11264 1 364 . 1 1 36 36 ALA N N 15 124.505 0.300 . 1 . . . . 36 ALA N . 11264 1 365 . 1 1 37 37 ASP H H 1 8.609 0.030 . 1 . . . . 37 ASP H . 11264 1 366 . 1 1 37 37 ASP HA H 1 4.281 0.030 . 1 . . . . 37 ASP HA . 11264 1 367 . 1 1 37 37 ASP HB2 H 1 2.731 0.030 . 2 . . . . 37 ASP HB2 . 11264 1 368 . 1 1 37 37 ASP HB3 H 1 2.604 0.030 . 2 . . . . 37 ASP HB3 . 11264 1 369 . 1 1 37 37 ASP C C 13 179.188 0.300 . 1 . . . . 37 ASP C . 11264 1 370 . 1 1 37 37 ASP CA C 13 57.254 0.300 . 1 . . . . 37 ASP CA . 11264 1 371 . 1 1 37 37 ASP CB C 13 39.451 0.300 . 1 . . . . 37 ASP CB . 11264 1 372 . 1 1 37 37 ASP N N 15 116.384 0.300 . 1 . . . . 37 ASP N . 11264 1 373 . 1 1 38 38 PHE H H 1 7.720 0.030 . 1 . . . . 38 PHE H . 11264 1 374 . 1 1 38 38 PHE HA H 1 4.290 0.030 . 1 . . . . 38 PHE HA . 11264 1 375 . 1 1 38 38 PHE HB2 H 1 3.274 0.030 . 2 . . . . 38 PHE HB2 . 11264 1 376 . 1 1 38 38 PHE HB3 H 1 3.349 0.030 . 2 . . . . 38 PHE HB3 . 11264 1 377 . 1 1 38 38 PHE HD1 H 1 7.041 0.030 . 1 . . . . 38 PHE HD1 . 11264 1 378 . 1 1 38 38 PHE HD2 H 1 7.041 0.030 . 1 . . . . 38 PHE HD2 . 11264 1 379 . 1 1 38 38 PHE HE1 H 1 7.283 0.030 . 1 . . . . 38 PHE HE1 . 11264 1 380 . 1 1 38 38 PHE HE2 H 1 7.283 0.030 . 1 . . . . 38 PHE HE2 . 11264 1 381 . 1 1 38 38 PHE HZ H 1 7.234 0.030 . 1 . . . . 38 PHE HZ . 11264 1 382 . 1 1 38 38 PHE C C 13 176.682 0.300 . 1 . . . . 38 PHE C . 11264 1 383 . 1 1 38 38 PHE CA C 13 61.119 0.300 . 1 . . . . 38 PHE CA . 11264 1 384 . 1 1 38 38 PHE CB C 13 39.227 0.300 . 1 . . . . 38 PHE CB . 11264 1 385 . 1 1 38 38 PHE CD1 C 13 131.352 0.300 . 1 . . . . 38 PHE CD1 . 11264 1 386 . 1 1 38 38 PHE CD2 C 13 131.352 0.300 . 1 . . . . 38 PHE CD2 . 11264 1 387 . 1 1 38 38 PHE CE1 C 13 131.623 0.300 . 1 . . . . 38 PHE CE1 . 11264 1 388 . 1 1 38 38 PHE CE2 C 13 131.623 0.300 . 1 . . . . 38 PHE CE2 . 11264 1 389 . 1 1 38 38 PHE CZ C 13 130.110 0.300 . 1 . . . . 38 PHE CZ . 11264 1 390 . 1 1 38 38 PHE N N 15 125.090 0.300 . 1 . . . . 38 PHE N . 11264 1 391 . 1 1 39 39 ALA H H 1 8.319 0.030 . 1 . . . . 39 ALA H . 11264 1 392 . 1 1 39 39 ALA HA H 1 3.654 0.030 . 1 . . . . 39 ALA HA . 11264 1 393 . 1 1 39 39 ALA HB1 H 1 1.268 0.030 . 1 . . . . 39 ALA HB . 11264 1 394 . 1 1 39 39 ALA HB2 H 1 1.268 0.030 . 1 . . . . 39 ALA HB . 11264 1 395 . 1 1 39 39 ALA HB3 H 1 1.268 0.030 . 1 . . . . 39 ALA HB . 11264 1 396 . 1 1 39 39 ALA C C 13 180.550 0.300 . 1 . . . . 39 ALA C . 11264 1 397 . 1 1 39 39 ALA CA C 13 54.959 0.300 . 1 . . . . 39 ALA CA . 11264 1 398 . 1 1 39 39 ALA CB C 13 17.975 0.300 . 1 . . . . 39 ALA CB . 11264 1 399 . 1 1 39 39 ALA N N 15 120.803 0.300 . 1 . . . . 39 ALA N . 11264 1 400 . 1 1 40 40 VAL H H 1 9.109 0.030 . 1 . . . . 40 VAL H . 11264 1 401 . 1 1 40 40 VAL HA H 1 3.195 0.030 . 1 . . . . 40 VAL HA . 11264 1 402 . 1 1 40 40 VAL HB H 1 2.204 0.030 . 1 . . . . 40 VAL HB . 11264 1 403 . 1 1 40 40 VAL HG11 H 1 0.870 0.030 . 1 . . . . 40 VAL HG1 . 11264 1 404 . 1 1 40 40 VAL HG12 H 1 0.870 0.030 . 1 . . . . 40 VAL HG1 . 11264 1 405 . 1 1 40 40 VAL HG13 H 1 0.870 0.030 . 1 . . . . 40 VAL HG1 . 11264 1 406 . 1 1 40 40 VAL HG21 H 1 0.986 0.030 . 1 . . . . 40 VAL HG2 . 11264 1 407 . 1 1 40 40 VAL HG22 H 1 0.986 0.030 . 1 . . . . 40 VAL HG2 . 11264 1 408 . 1 1 40 40 VAL HG23 H 1 0.986 0.030 . 1 . . . . 40 VAL HG2 . 11264 1 409 . 1 1 40 40 VAL C C 13 176.547 0.300 . 1 . . . . 40 VAL C . 11264 1 410 . 1 1 40 40 VAL CA C 13 67.471 0.300 . 1 . . . . 40 VAL CA . 11264 1 411 . 1 1 40 40 VAL CB C 13 31.783 0.300 . 1 . . . . 40 VAL CB . 11264 1 412 . 1 1 40 40 VAL CG1 C 13 23.302 0.300 . 2 . . . . 40 VAL CG1 . 11264 1 413 . 1 1 40 40 VAL CG2 C 13 24.364 0.300 . 2 . . . . 40 VAL CG2 . 11264 1 414 . 1 1 40 40 VAL N N 15 122.422 0.300 . 1 . . . . 40 VAL N . 11264 1 415 . 1 1 41 41 ALA H H 1 7.305 0.030 . 1 . . . . 41 ALA H . 11264 1 416 . 1 1 41 41 ALA HA H 1 3.802 0.030 . 1 . . . . 41 ALA HA . 11264 1 417 . 1 1 41 41 ALA HB1 H 1 1.451 0.030 . 1 . . . . 41 ALA HB . 11264 1 418 . 1 1 41 41 ALA HB2 H 1 1.451 0.030 . 1 . . . . 41 ALA HB . 11264 1 419 . 1 1 41 41 ALA HB3 H 1 1.451 0.030 . 1 . . . . 41 ALA HB . 11264 1 420 . 1 1 41 41 ALA C C 13 180.623 0.300 . 1 . . . . 41 ALA C . 11264 1 421 . 1 1 41 41 ALA CA C 13 56.142 0.300 . 1 . . . . 41 ALA CA . 11264 1 422 . 1 1 41 41 ALA CB C 13 17.709 0.300 . 1 . . . . 41 ALA CB . 11264 1 423 . 1 1 41 41 ALA N N 15 121.984 0.300 . 1 . . . . 41 ALA N . 11264 1 424 . 1 1 42 42 GLU H H 1 8.232 0.030 . 1 . . . . 42 GLU H . 11264 1 425 . 1 1 42 42 GLU HA H 1 3.837 0.030 . 1 . . . . 42 GLU HA . 11264 1 426 . 1 1 42 42 GLU HB2 H 1 1.557 0.030 . 2 . . . . 42 GLU HB2 . 11264 1 427 . 1 1 42 42 GLU HB3 H 1 1.693 0.030 . 2 . . . . 42 GLU HB3 . 11264 1 428 . 1 1 42 42 GLU HG2 H 1 1.583 0.030 . 2 . . . . 42 GLU HG2 . 11264 1 429 . 1 1 42 42 GLU HG3 H 1 1.655 0.030 . 2 . . . . 42 GLU HG3 . 11264 1 430 . 1 1 42 42 GLU C C 13 179.224 0.300 . 1 . . . . 42 GLU C . 11264 1 431 . 1 1 42 42 GLU CA C 13 58.384 0.300 . 1 . . . . 42 GLU CA . 11264 1 432 . 1 1 42 42 GLU CB C 13 30.262 0.300 . 1 . . . . 42 GLU CB . 11264 1 433 . 1 1 42 42 GLU CG C 13 36.019 0.300 . 1 . . . . 42 GLU CG . 11264 1 434 . 1 1 42 42 GLU N N 15 117.369 0.300 . 1 . . . . 42 GLU N . 11264 1 435 . 1 1 43 43 SER H H 1 8.161 0.030 . 1 . . . . 43 SER H . 11264 1 436 . 1 1 43 43 SER HA H 1 3.807 0.030 . 1 . . . . 43 SER HA . 11264 1 437 . 1 1 43 43 SER HB2 H 1 3.636 0.030 . 2 . . . . 43 SER HB2 . 11264 1 438 . 1 1 43 43 SER HB3 H 1 4.025 0.030 . 2 . . . . 43 SER HB3 . 11264 1 439 . 1 1 43 43 SER C C 13 175.952 0.300 . 1 . . . . 43 SER C . 11264 1 440 . 1 1 43 43 SER CA C 13 63.531 0.300 . 1 . . . . 43 SER CA . 11264 1 441 . 1 1 43 43 SER CB C 13 63.412 0.300 . 1 . . . . 43 SER CB . 11264 1 442 . 1 1 43 43 SER N N 15 116.337 0.300 . 1 . . . . 43 SER N . 11264 1 443 . 1 1 44 44 LEU H H 1 8.569 0.030 . 1 . . . . 44 LEU H . 11264 1 444 . 1 1 44 44 LEU HA H 1 3.590 0.030 . 1 . . . . 44 LEU HA . 11264 1 445 . 1 1 44 44 LEU HB2 H 1 1.634 0.030 . 2 . . . . 44 LEU HB2 . 11264 1 446 . 1 1 44 44 LEU HB3 H 1 1.040 0.030 . 2 . . . . 44 LEU HB3 . 11264 1 447 . 1 1 44 44 LEU HD11 H 1 0.390 0.030 . 1 . . . . 44 LEU HD1 . 11264 1 448 . 1 1 44 44 LEU HD12 H 1 0.390 0.030 . 1 . . . . 44 LEU HD1 . 11264 1 449 . 1 1 44 44 LEU HD13 H 1 0.390 0.030 . 1 . . . . 44 LEU HD1 . 11264 1 450 . 1 1 44 44 LEU HD21 H 1 -0.167 0.030 . 1 . . . . 44 LEU HD2 . 11264 1 451 . 1 1 44 44 LEU HD22 H 1 -0.167 0.030 . 1 . . . . 44 LEU HD2 . 11264 1 452 . 1 1 44 44 LEU HD23 H 1 -0.167 0.030 . 1 . . . . 44 LEU HD2 . 11264 1 453 . 1 1 44 44 LEU HG H 1 1.463 0.030 . 1 . . . . 44 LEU HG . 11264 1 454 . 1 1 44 44 LEU C C 13 179.260 0.300 . 1 . . . . 44 LEU C . 11264 1 455 . 1 1 44 44 LEU CA C 13 58.507 0.300 . 1 . . . . 44 LEU CA . 11264 1 456 . 1 1 44 44 LEU CB C 13 40.808 0.300 . 1 . . . . 44 LEU CB . 11264 1 457 . 1 1 44 44 LEU CD1 C 13 26.436 0.300 . 2 . . . . 44 LEU CD1 . 11264 1 458 . 1 1 44 44 LEU CD2 C 13 22.193 0.300 . 2 . . . . 44 LEU CD2 . 11264 1 459 . 1 1 44 44 LEU CG C 13 26.480 0.300 . 1 . . . . 44 LEU CG . 11264 1 460 . 1 1 44 44 LEU N N 15 122.236 0.300 . 1 . . . . 44 LEU N . 11264 1 461 . 1 1 45 45 GLU H H 1 7.272 0.030 . 1 . . . . 45 GLU H . 11264 1 462 . 1 1 45 45 GLU HA H 1 3.791 0.030 . 1 . . . . 45 GLU HA . 11264 1 463 . 1 1 45 45 GLU HB2 H 1 2.150 0.030 . 2 . . . . 45 GLU HB2 . 11264 1 464 . 1 1 45 45 GLU HB3 H 1 2.055 0.030 . 2 . . . . 45 GLU HB3 . 11264 1 465 . 1 1 45 45 GLU HG2 H 1 2.318 0.030 . 2 . . . . 45 GLU HG2 . 11264 1 466 . 1 1 45 45 GLU HG3 H 1 2.059 0.030 . 2 . . . . 45 GLU HG3 . 11264 1 467 . 1 1 45 45 GLU C C 13 180.513 0.300 . 1 . . . . 45 GLU C . 11264 1 468 . 1 1 45 45 GLU CA C 13 60.430 0.300 . 1 . . . . 45 GLU CA . 11264 1 469 . 1 1 45 45 GLU CB C 13 28.862 0.300 . 1 . . . . 45 GLU CB . 11264 1 470 . 1 1 45 45 GLU CG C 13 36.009 0.300 . 1 . . . . 45 GLU CG . 11264 1 471 . 1 1 45 45 GLU N N 15 117.799 0.300 . 1 . . . . 45 GLU N . 11264 1 472 . 1 1 46 46 LYS H H 1 7.881 0.030 . 1 . . . . 46 LYS H . 11264 1 473 . 1 1 46 46 LYS HA H 1 3.973 0.030 . 1 . . . . 46 LYS HA . 11264 1 474 . 1 1 46 46 LYS HB2 H 1 1.417 0.030 . 2 . . . . 46 LYS HB2 . 11264 1 475 . 1 1 46 46 LYS HB3 H 1 1.771 0.030 . 2 . . . . 46 LYS HB3 . 11264 1 476 . 1 1 46 46 LYS HD2 H 1 1.548 0.030 . 2 . . . . 46 LYS HD2 . 11264 1 477 . 1 1 46 46 LYS HD3 H 1 1.624 0.030 . 2 . . . . 46 LYS HD3 . 11264 1 478 . 1 1 46 46 LYS HE2 H 1 2.979 0.030 . 2 . . . . 46 LYS HE2 . 11264 1 479 . 1 1 46 46 LYS HE3 H 1 3.107 0.030 . 2 . . . . 46 LYS HE3 . 11264 1 480 . 1 1 46 46 LYS HG2 H 1 1.648 0.030 . 2 . . . . 46 LYS HG2 . 11264 1 481 . 1 1 46 46 LYS HG3 H 1 1.397 0.030 . 2 . . . . 46 LYS HG3 . 11264 1 482 . 1 1 46 46 LYS C C 13 178.567 0.300 . 1 . . . . 46 LYS C . 11264 1 483 . 1 1 46 46 LYS CA C 13 57.642 0.300 . 1 . . . . 46 LYS CA . 11264 1 484 . 1 1 46 46 LYS CB C 13 31.372 0.300 . 1 . . . . 46 LYS CB . 11264 1 485 . 1 1 46 46 LYS CD C 13 27.794 0.300 . 1 . . . . 46 LYS CD . 11264 1 486 . 1 1 46 46 LYS CE C 13 42.435 0.300 . 1 . . . . 46 LYS CE . 11264 1 487 . 1 1 46 46 LYS CG C 13 24.833 0.300 . 1 . . . . 46 LYS CG . 11264 1 488 . 1 1 46 46 LYS N N 15 119.073 0.300 . 1 . . . . 46 LYS N . 11264 1 489 . 1 1 47 47 TYR H H 1 7.839 0.030 . 1 . . . . 47 TYR H . 11264 1 490 . 1 1 47 47 TYR HA H 1 4.110 0.030 . 1 . . . . 47 TYR HA . 11264 1 491 . 1 1 47 47 TYR HB2 H 1 3.174 0.030 . 2 . . . . 47 TYR HB2 . 11264 1 492 . 1 1 47 47 TYR HB3 H 1 2.490 0.030 . 2 . . . . 47 TYR HB3 . 11264 1 493 . 1 1 47 47 TYR HD1 H 1 7.043 0.030 . 1 . . . . 47 TYR HD1 . 11264 1 494 . 1 1 47 47 TYR HD2 H 1 7.043 0.030 . 1 . . . . 47 TYR HD2 . 11264 1 495 . 1 1 47 47 TYR HE1 H 1 6.472 0.030 . 1 . . . . 47 TYR HE1 . 11264 1 496 . 1 1 47 47 TYR HE2 H 1 6.472 0.030 . 1 . . . . 47 TYR HE2 . 11264 1 497 . 1 1 47 47 TYR C C 13 175.197 0.300 . 1 . . . . 47 TYR C . 11264 1 498 . 1 1 47 47 TYR CA C 13 60.924 0.300 . 1 . . . . 47 TYR CA . 11264 1 499 . 1 1 47 47 TYR CB C 13 38.240 0.300 . 1 . . . . 47 TYR CB . 11264 1 500 . 1 1 47 47 TYR CD1 C 13 132.370 0.300 . 1 . . . . 47 TYR CD1 . 11264 1 501 . 1 1 47 47 TYR CD2 C 13 132.370 0.300 . 1 . . . . 47 TYR CD2 . 11264 1 502 . 1 1 47 47 TYR CE1 C 13 117.700 0.300 . 1 . . . . 47 TYR CE1 . 11264 1 503 . 1 1 47 47 TYR CE2 C 13 117.700 0.300 . 1 . . . . 47 TYR CE2 . 11264 1 504 . 1 1 47 47 TYR N N 15 115.296 0.300 . 1 . . . . 47 TYR N . 11264 1 505 . 1 1 48 48 GLY H H 1 7.762 0.030 . 1 . . . . 48 GLY H . 11264 1 506 . 1 1 48 48 GLY HA2 H 1 3.988 0.030 . 2 . . . . 48 GLY HA2 . 11264 1 507 . 1 1 48 48 GLY HA3 H 1 4.062 0.030 . 2 . . . . 48 GLY HA3 . 11264 1 508 . 1 1 48 48 GLY C C 13 175.319 0.300 . 1 . . . . 48 GLY C . 11264 1 509 . 1 1 48 48 GLY CA C 13 46.929 0.300 . 1 . . . . 48 GLY CA . 11264 1 510 . 1 1 48 48 GLY N N 15 108.346 0.300 . 1 . . . . 48 GLY N . 11264 1 511 . 1 1 49 49 LEU H H 1 8.279 0.030 . 1 . . . . 49 LEU H . 11264 1 512 . 1 1 49 49 LEU HA H 1 4.727 0.030 . 1 . . . . 49 LEU HA . 11264 1 513 . 1 1 49 49 LEU HB2 H 1 1.315 0.030 . 2 . . . . 49 LEU HB2 . 11264 1 514 . 1 1 49 49 LEU HB3 H 1 1.417 0.030 . 2 . . . . 49 LEU HB3 . 11264 1 515 . 1 1 49 49 LEU HD11 H 1 0.761 0.030 . 1 . . . . 49 LEU HD1 . 11264 1 516 . 1 1 49 49 LEU HD12 H 1 0.761 0.030 . 1 . . . . 49 LEU HD1 . 11264 1 517 . 1 1 49 49 LEU HD13 H 1 0.761 0.030 . 1 . . . . 49 LEU HD1 . 11264 1 518 . 1 1 49 49 LEU HD21 H 1 0.560 0.030 . 1 . . . . 49 LEU HD2 . 11264 1 519 . 1 1 49 49 LEU HD22 H 1 0.560 0.030 . 1 . . . . 49 LEU HD2 . 11264 1 520 . 1 1 49 49 LEU HD23 H 1 0.560 0.030 . 1 . . . . 49 LEU HD2 . 11264 1 521 . 1 1 49 49 LEU HG H 1 1.291 0.030 . 1 . . . . 49 LEU HG . 11264 1 522 . 1 1 49 49 LEU C C 13 177.520 0.300 . 1 . . . . 49 LEU C . 11264 1 523 . 1 1 49 49 LEU CA C 13 53.053 0.300 . 1 . . . . 49 LEU CA . 11264 1 524 . 1 1 49 49 LEU CB C 13 41.513 0.300 . 1 . . . . 49 LEU CB . 11264 1 525 . 1 1 49 49 LEU CD1 C 13 22.774 0.300 . 2 . . . . 49 LEU CD1 . 11264 1 526 . 1 1 49 49 LEU CD2 C 13 25.714 0.300 . 2 . . . . 49 LEU CD2 . 11264 1 527 . 1 1 49 49 LEU CG C 13 26.215 0.300 . 1 . . . . 49 LEU CG . 11264 1 528 . 1 1 49 49 LEU N N 15 122.914 0.300 . 1 . . . . 49 LEU N . 11264 1 529 . 1 1 50 50 GLU H H 1 8.853 0.030 . 1 . . . . 50 GLU H . 11264 1 530 . 1 1 50 50 GLU HA H 1 3.950 0.030 . 1 . . . . 50 GLU HA . 11264 1 531 . 1 1 50 50 GLU HB2 H 1 2.000 0.030 . 2 . . . . 50 GLU HB2 . 11264 1 532 . 1 1 50 50 GLU HB3 H 1 2.096 0.030 . 2 . . . . 50 GLU HB3 . 11264 1 533 . 1 1 50 50 GLU HG2 H 1 2.097 0.030 . 2 . . . . 50 GLU HG2 . 11264 1 534 . 1 1 50 50 GLU HG3 H 1 2.338 0.030 . 2 . . . . 50 GLU HG3 . 11264 1 535 . 1 1 50 50 GLU C C 13 176.742 0.300 . 1 . . . . 50 GLU C . 11264 1 536 . 1 1 50 50 GLU CA C 13 58.965 0.300 . 1 . . . . 50 GLU CA . 11264 1 537 . 1 1 50 50 GLU CB C 13 28.598 0.300 . 1 . . . . 50 GLU CB . 11264 1 538 . 1 1 50 50 GLU CG C 13 35.526 0.300 . 1 . . . . 50 GLU CG . 11264 1 539 . 1 1 50 50 GLU N N 15 119.463 0.300 . 1 . . . . 50 GLU N . 11264 1 540 . 1 1 51 51 LYS H H 1 8.544 0.030 . 1 . . . . 51 LYS H . 11264 1 541 . 1 1 51 51 LYS HA H 1 4.331 0.030 . 1 . . . . 51 LYS HA . 11264 1 542 . 1 1 51 51 LYS HB2 H 1 1.751 0.030 . 2 . . . . 51 LYS HB2 . 11264 1 543 . 1 1 51 51 LYS HB3 H 1 1.929 0.030 . 2 . . . . 51 LYS HB3 . 11264 1 544 . 1 1 51 51 LYS HD2 H 1 1.598 0.030 . 2 . . . . 51 LYS HD2 . 11264 1 545 . 1 1 51 51 LYS HD3 H 1 1.674 0.030 . 2 . . . . 51 LYS HD3 . 11264 1 546 . 1 1 51 51 LYS HE2 H 1 2.969 0.030 . 1 . . . . 51 LYS HE2 . 11264 1 547 . 1 1 51 51 LYS HE3 H 1 2.969 0.030 . 1 . . . . 51 LYS HE3 . 11264 1 548 . 1 1 51 51 LYS HG2 H 1 1.460 0.030 . 2 . . . . 51 LYS HG2 . 11264 1 549 . 1 1 51 51 LYS HG3 H 1 1.363 0.030 . 2 . . . . 51 LYS HG3 . 11264 1 550 . 1 1 51 51 LYS C C 13 177.508 0.300 . 1 . . . . 51 LYS C . 11264 1 551 . 1 1 51 51 LYS CA C 13 56.283 0.300 . 1 . . . . 51 LYS CA . 11264 1 552 . 1 1 51 51 LYS CB C 13 31.509 0.300 . 1 . . . . 51 LYS CB . 11264 1 553 . 1 1 51 51 LYS CD C 13 28.812 0.300 . 1 . . . . 51 LYS CD . 11264 1 554 . 1 1 51 51 LYS CE C 13 42.270 0.300 . 1 . . . . 51 LYS CE . 11264 1 555 . 1 1 51 51 LYS CG C 13 25.157 0.300 . 1 . . . . 51 LYS CG . 11264 1 556 . 1 1 51 51 LYS N N 15 118.688 0.300 . 1 . . . . 51 LYS N . 11264 1 557 . 1 1 52 52 GLU H H 1 7.476 0.030 . 1 . . . . 52 GLU H . 11264 1 558 . 1 1 52 52 GLU HA H 1 4.144 0.030 . 1 . . . . 52 GLU HA . 11264 1 559 . 1 1 52 52 GLU HB2 H 1 1.953 0.030 . 2 . . . . 52 GLU HB2 . 11264 1 560 . 1 1 52 52 GLU HB3 H 1 2.239 0.030 . 2 . . . . 52 GLU HB3 . 11264 1 561 . 1 1 52 52 GLU HG2 H 1 2.109 0.030 . 2 . . . . 52 GLU HG2 . 11264 1 562 . 1 1 52 52 GLU HG3 H 1 2.229 0.030 . 2 . . . . 52 GLU HG3 . 11264 1 563 . 1 1 52 52 GLU C C 13 175.161 0.300 . 1 . . . . 52 GLU C . 11264 1 564 . 1 1 52 52 GLU CA C 13 55.119 0.300 . 1 . . . . 52 GLU CA . 11264 1 565 . 1 1 52 52 GLU CB C 13 30.590 0.300 . 1 . . . . 52 GLU CB . 11264 1 566 . 1 1 52 52 GLU CG C 13 37.598 0.300 . 1 . . . . 52 GLU CG . 11264 1 567 . 1 1 52 52 GLU N N 15 118.437 0.300 . 1 . . . . 52 GLU N . 11264 1 568 . 1 1 53 53 ASN H H 1 9.215 0.030 . 1 . . . . 53 ASN H . 11264 1 569 . 1 1 53 53 ASN HA H 1 4.894 0.030 . 1 . . . . 53 ASN HA . 11264 1 570 . 1 1 53 53 ASN HB2 H 1 2.809 0.030 . 2 . . . . 53 ASN HB2 . 11264 1 571 . 1 1 53 53 ASN HB3 H 1 3.221 0.030 . 2 . . . . 53 ASN HB3 . 11264 1 572 . 1 1 53 53 ASN HD21 H 1 6.911 0.030 . 2 . . . . 53 ASN HD21 . 11264 1 573 . 1 1 53 53 ASN HD22 H 1 7.690 0.030 . 2 . . . . 53 ASN HD22 . 11264 1 574 . 1 1 53 53 ASN C C 13 175.177 0.300 . 1 . . . . 53 ASN C . 11264 1 575 . 1 1 53 53 ASN CA C 13 50.159 0.300 . 1 . . . . 53 ASN CA . 11264 1 576 . 1 1 53 53 ASN CB C 13 38.980 0.300 . 1 . . . . 53 ASN CB . 11264 1 577 . 1 1 53 53 ASN N N 15 121.698 0.300 . 1 . . . . 53 ASN N . 11264 1 578 . 1 1 53 53 ASN ND2 N 15 112.404 0.300 . 1 . . . . 53 ASN ND2 . 11264 1 579 . 1 1 54 54 PRO HA H 1 4.083 0.030 . 1 . . . . 54 PRO HA . 11264 1 580 . 1 1 54 54 PRO HB2 H 1 2.067 0.030 . 2 . . . . 54 PRO HB2 . 11264 1 581 . 1 1 54 54 PRO HB3 H 1 2.170 0.030 . 2 . . . . 54 PRO HB3 . 11264 1 582 . 1 1 54 54 PRO HD2 H 1 3.919 0.030 . 2 . . . . 54 PRO HD2 . 11264 1 583 . 1 1 54 54 PRO HD3 H 1 4.185 0.030 . 2 . . . . 54 PRO HD3 . 11264 1 584 . 1 1 54 54 PRO HG2 H 1 1.913 0.030 . 2 . . . . 54 PRO HG2 . 11264 1 585 . 1 1 54 54 PRO HG3 H 1 2.084 0.030 . 2 . . . . 54 PRO HG3 . 11264 1 586 . 1 1 54 54 PRO C C 13 177.863 0.300 . 1 . . . . 54 PRO C . 11264 1 587 . 1 1 54 54 PRO CA C 13 65.097 0.300 . 1 . . . . 54 PRO CA . 11264 1 588 . 1 1 54 54 PRO CB C 13 32.482 0.300 . 1 . . . . 54 PRO CB . 11264 1 589 . 1 1 54 54 PRO CD C 13 51.109 0.300 . 1 . . . . 54 PRO CD . 11264 1 590 . 1 1 54 54 PRO CG C 13 27.539 0.300 . 1 . . . . 54 PRO CG . 11264 1 591 . 1 1 55 55 LYS H H 1 7.749 0.030 . 1 . . . . 55 LYS H . 11264 1 592 . 1 1 55 55 LYS HA H 1 4.201 0.030 . 1 . . . . 55 LYS HA . 11264 1 593 . 1 1 55 55 LYS HB2 H 1 1.697 0.030 . 2 . . . . 55 LYS HB2 . 11264 1 594 . 1 1 55 55 LYS HB3 H 1 1.852 0.030 . 2 . . . . 55 LYS HB3 . 11264 1 595 . 1 1 55 55 LYS HD2 H 1 1.695 0.030 . 2 . . . . 55 LYS HD2 . 11264 1 596 . 1 1 55 55 LYS HD3 H 1 1.135 0.030 . 2 . . . . 55 LYS HD3 . 11264 1 597 . 1 1 55 55 LYS HE2 H 1 2.992 0.030 . 1 . . . . 55 LYS HE2 . 11264 1 598 . 1 1 55 55 LYS HE3 H 1 2.992 0.030 . 1 . . . . 55 LYS HE3 . 11264 1 599 . 1 1 55 55 LYS HG2 H 1 1.448 0.030 . 2 . . . . 55 LYS HG2 . 11264 1 600 . 1 1 55 55 LYS HG3 H 1 1.546 0.030 . 2 . . . . 55 LYS HG3 . 11264 1 601 . 1 1 55 55 LYS C C 13 177.995 0.300 . 1 . . . . 55 LYS C . 11264 1 602 . 1 1 55 55 LYS CA C 13 57.818 0.300 . 1 . . . . 55 LYS CA . 11264 1 603 . 1 1 55 55 LYS CB C 13 31.536 0.300 . 1 . . . . 55 LYS CB . 11264 1 604 . 1 1 55 55 LYS CD C 13 28.781 0.300 . 1 . . . . 55 LYS CD . 11264 1 605 . 1 1 55 55 LYS CE C 13 42.106 0.300 . 1 . . . . 55 LYS CE . 11264 1 606 . 1 1 55 55 LYS CG C 13 25.080 0.300 . 1 . . . . 55 LYS CG . 11264 1 607 . 1 1 55 55 LYS N N 15 113.943 0.300 . 1 . . . . 55 LYS N . 11264 1 608 . 1 1 56 56 ASP H H 1 8.074 0.030 . 1 . . . . 56 ASP H . 11264 1 609 . 1 1 56 56 ASP HA H 1 4.635 0.030 . 1 . . . . 56 ASP HA . 11264 1 610 . 1 1 56 56 ASP HB2 H 1 2.946 0.030 . 2 . . . . 56 ASP HB2 . 11264 1 611 . 1 1 56 56 ASP HB3 H 1 2.512 0.030 . 2 . . . . 56 ASP HB3 . 11264 1 612 . 1 1 56 56 ASP C C 13 175.051 0.300 . 1 . . . . 56 ASP C . 11264 1 613 . 1 1 56 56 ASP CA C 13 55.154 0.300 . 1 . . . . 56 ASP CA . 11264 1 614 . 1 1 56 56 ASP CB C 13 41.077 0.300 . 1 . . . . 56 ASP CB . 11264 1 615 . 1 1 56 56 ASP N N 15 117.647 0.300 . 1 . . . . 56 ASP N . 11264 1 616 . 1 1 57 57 TYR H H 1 8.115 0.030 . 1 . . . . 57 TYR H . 11264 1 617 . 1 1 57 57 TYR HA H 1 5.046 0.030 . 1 . . . . 57 TYR HA . 11264 1 618 . 1 1 57 57 TYR HB2 H 1 2.706 0.030 . 2 . . . . 57 TYR HB2 . 11264 1 619 . 1 1 57 57 TYR HB3 H 1 2.889 0.030 . 2 . . . . 57 TYR HB3 . 11264 1 620 . 1 1 57 57 TYR HD1 H 1 6.891 0.030 . 1 . . . . 57 TYR HD1 . 11264 1 621 . 1 1 57 57 TYR HD2 H 1 6.891 0.030 . 1 . . . . 57 TYR HD2 . 11264 1 622 . 1 1 57 57 TYR HE1 H 1 6.737 0.030 . 1 . . . . 57 TYR HE1 . 11264 1 623 . 1 1 57 57 TYR HE2 H 1 6.737 0.030 . 1 . . . . 57 TYR HE2 . 11264 1 624 . 1 1 57 57 TYR C C 13 172.655 0.300 . 1 . . . . 57 TYR C . 11264 1 625 . 1 1 57 57 TYR CA C 13 57.553 0.300 . 1 . . . . 57 TYR CA . 11264 1 626 . 1 1 57 57 TYR CB C 13 42.892 0.300 . 1 . . . . 57 TYR CB . 11264 1 627 . 1 1 57 57 TYR CD1 C 13 133.253 0.300 . 1 . . . . 57 TYR CD1 . 11264 1 628 . 1 1 57 57 TYR CD2 C 13 133.253 0.300 . 1 . . . . 57 TYR CD2 . 11264 1 629 . 1 1 57 57 TYR CE1 C 13 117.810 0.300 . 1 . . . . 57 TYR CE1 . 11264 1 630 . 1 1 57 57 TYR CE2 C 13 117.810 0.300 . 1 . . . . 57 TYR CE2 . 11264 1 631 . 1 1 57 57 TYR N N 15 120.317 0.300 . 1 . . . . 57 TYR N . 11264 1 632 . 1 1 58 58 CYS H H 1 9.328 0.030 . 1 . . . . 58 CYS H . 11264 1 633 . 1 1 58 58 CYS HA H 1 4.932 0.030 . 1 . . . . 58 CYS HA . 11264 1 634 . 1 1 58 58 CYS HB2 H 1 2.812 0.030 . 2 . . . . 58 CYS HB2 . 11264 1 635 . 1 1 58 58 CYS HB3 H 1 3.002 0.030 . 2 . . . . 58 CYS HB3 . 11264 1 636 . 1 1 58 58 CYS C C 13 171.159 0.300 . 1 . . . . 58 CYS C . 11264 1 637 . 1 1 58 58 CYS CA C 13 55.718 0.300 . 1 . . . . 58 CYS CA . 11264 1 638 . 1 1 58 58 CYS CB C 13 31.774 0.300 . 1 . . . . 58 CYS CB . 11264 1 639 . 1 1 58 58 CYS N N 15 113.511 0.300 . 1 . . . . 58 CYS N . 11264 1 640 . 1 1 59 59 ILE H H 1 9.546 0.030 . 1 . . . . 59 ILE H . 11264 1 641 . 1 1 59 59 ILE HA H 1 5.156 0.030 . 1 . . . . 59 ILE HA . 11264 1 642 . 1 1 59 59 ILE HB H 1 1.656 0.030 . 1 . . . . 59 ILE HB . 11264 1 643 . 1 1 59 59 ILE HD11 H 1 0.592 0.030 . 1 . . . . 59 ILE HD1 . 11264 1 644 . 1 1 59 59 ILE HD12 H 1 0.592 0.030 . 1 . . . . 59 ILE HD1 . 11264 1 645 . 1 1 59 59 ILE HD13 H 1 0.592 0.030 . 1 . . . . 59 ILE HD1 . 11264 1 646 . 1 1 59 59 ILE HG12 H 1 1.249 0.030 . 2 . . . . 59 ILE HG12 . 11264 1 647 . 1 1 59 59 ILE HG13 H 1 1.411 0.030 . 2 . . . . 59 ILE HG13 . 11264 1 648 . 1 1 59 59 ILE HG21 H 1 0.872 0.030 . 1 . . . . 59 ILE HG2 . 11264 1 649 . 1 1 59 59 ILE HG22 H 1 0.872 0.030 . 1 . . . . 59 ILE HG2 . 11264 1 650 . 1 1 59 59 ILE HG23 H 1 0.872 0.030 . 1 . . . . 59 ILE HG2 . 11264 1 651 . 1 1 59 59 ILE C C 13 174.029 0.300 . 1 . . . . 59 ILE C . 11264 1 652 . 1 1 59 59 ILE CA C 13 58.366 0.300 . 1 . . . . 59 ILE CA . 11264 1 653 . 1 1 59 59 ILE CB C 13 39.720 0.300 . 1 . . . . 59 ILE CB . 11264 1 654 . 1 1 59 59 ILE CD1 C 13 12.003 0.300 . 1 . . . . 59 ILE CD1 . 11264 1 655 . 1 1 59 59 ILE CG1 C 13 28.452 0.300 . 1 . . . . 59 ILE CG1 . 11264 1 656 . 1 1 59 59 ILE CG2 C 13 19.327 0.300 . 1 . . . . 59 ILE CG2 . 11264 1 657 . 1 1 59 59 ILE N N 15 119.071 0.300 . 1 . . . . 59 ILE N . 11264 1 658 . 1 1 60 60 ALA H H 1 9.451 0.030 . 1 . . . . 60 ALA H . 11264 1 659 . 1 1 60 60 ALA HA H 1 5.178 0.030 . 1 . . . . 60 ALA HA . 11264 1 660 . 1 1 60 60 ALA HB1 H 1 1.056 0.030 . 1 . . . . 60 ALA HB . 11264 1 661 . 1 1 60 60 ALA HB2 H 1 1.056 0.030 . 1 . . . . 60 ALA HB . 11264 1 662 . 1 1 60 60 ALA HB3 H 1 1.056 0.030 . 1 . . . . 60 ALA HB . 11264 1 663 . 1 1 60 60 ALA C C 13 176.462 0.300 . 1 . . . . 60 ALA C . 11264 1 664 . 1 1 60 60 ALA CA C 13 49.224 0.300 . 1 . . . . 60 ALA CA . 11264 1 665 . 1 1 60 60 ALA CB C 13 22.037 0.300 . 1 . . . . 60 ALA CB . 11264 1 666 . 1 1 60 60 ALA N N 15 127.432 0.300 . 1 . . . . 60 ALA N . 11264 1 667 . 1 1 61 61 ARG H H 1 9.122 0.030 . 1 . . . . 61 ARG H . 11264 1 668 . 1 1 61 61 ARG HA H 1 4.863 0.030 . 1 . . . . 61 ARG HA . 11264 1 669 . 1 1 61 61 ARG HB2 H 1 1.257 0.030 . 2 . . . . 61 ARG HB2 . 11264 1 670 . 1 1 61 61 ARG HB3 H 1 1.383 0.030 . 2 . . . . 61 ARG HB3 . 11264 1 671 . 1 1 61 61 ARG HD2 H 1 2.756 0.030 . 2 . . . . 61 ARG HD2 . 11264 1 672 . 1 1 61 61 ARG HD3 H 1 2.840 0.030 . 2 . . . . 61 ARG HD3 . 11264 1 673 . 1 1 61 61 ARG HG2 H 1 1.542 0.030 . 1 . . . . 61 ARG HG2 . 11264 1 674 . 1 1 61 61 ARG HG3 H 1 1.542 0.030 . 1 . . . . 61 ARG HG3 . 11264 1 675 . 1 1 61 61 ARG C C 13 173.957 0.300 . 1 . . . . 61 ARG C . 11264 1 676 . 1 1 61 61 ARG CA C 13 53.300 0.300 . 1 . . . . 61 ARG CA . 11264 1 677 . 1 1 61 61 ARG CB C 13 32.153 0.300 . 1 . . . . 61 ARG CB . 11264 1 678 . 1 1 61 61 ARG CD C 13 44.784 0.300 . 1 . . . . 61 ARG CD . 11264 1 679 . 1 1 61 61 ARG CG C 13 27.054 0.300 . 1 . . . . 61 ARG CG . 11264 1 680 . 1 1 61 61 ARG N N 15 119.868 0.300 . 1 . . . . 61 ARG N . 11264 1 681 . 1 1 62 62 VAL H H 1 9.115 0.030 . 1 . . . . 62 VAL H . 11264 1 682 . 1 1 62 62 VAL HA H 1 4.453 0.030 . 1 . . . . 62 VAL HA . 11264 1 683 . 1 1 62 62 VAL HB H 1 1.783 0.030 . 1 . . . . 62 VAL HB . 11264 1 684 . 1 1 62 62 VAL HG11 H 1 0.667 0.030 . 1 . . . . 62 VAL HG1 . 11264 1 685 . 1 1 62 62 VAL HG12 H 1 0.667 0.030 . 1 . . . . 62 VAL HG1 . 11264 1 686 . 1 1 62 62 VAL HG13 H 1 0.667 0.030 . 1 . . . . 62 VAL HG1 . 11264 1 687 . 1 1 62 62 VAL HG21 H 1 0.682 0.030 . 1 . . . . 62 VAL HG2 . 11264 1 688 . 1 1 62 62 VAL HG22 H 1 0.682 0.030 . 1 . . . . 62 VAL HG2 . 11264 1 689 . 1 1 62 62 VAL HG23 H 1 0.682 0.030 . 1 . . . . 62 VAL HG2 . 11264 1 690 . 1 1 62 62 VAL C C 13 174.248 0.300 . 1 . . . . 62 VAL C . 11264 1 691 . 1 1 62 62 VAL CA C 13 61.207 0.300 . 1 . . . . 62 VAL CA . 11264 1 692 . 1 1 62 62 VAL CB C 13 33.387 0.300 . 1 . . . . 62 VAL CB . 11264 1 693 . 1 1 62 62 VAL CG1 C 13 21.186 0.300 . 2 . . . . 62 VAL CG1 . 11264 1 694 . 1 1 62 62 VAL CG2 C 13 20.657 0.300 . 2 . . . . 62 VAL CG2 . 11264 1 695 . 1 1 62 62 VAL N N 15 126.620 0.300 . 1 . . . . 62 VAL N . 11264 1 696 . 1 1 63 63 MET H H 1 8.531 0.030 . 1 . . . . 63 MET H . 11264 1 697 . 1 1 63 63 MET HA H 1 4.841 0.030 . 1 . . . . 63 MET HA . 11264 1 698 . 1 1 63 63 MET HB2 H 1 1.990 0.030 . 2 . . . . 63 MET HB2 . 11264 1 699 . 1 1 63 63 MET HB3 H 1 2.093 0.030 . 2 . . . . 63 MET HB3 . 11264 1 700 . 1 1 63 63 MET HE1 H 1 1.865 0.030 . 1 . . . . 63 MET HE . 11264 1 701 . 1 1 63 63 MET HE2 H 1 1.865 0.030 . 1 . . . . 63 MET HE . 11264 1 702 . 1 1 63 63 MET HE3 H 1 1.865 0.030 . 1 . . . . 63 MET HE . 11264 1 703 . 1 1 63 63 MET HG2 H 1 2.242 0.030 . 2 . . . . 63 MET HG2 . 11264 1 704 . 1 1 63 63 MET HG3 H 1 1.818 0.030 . 2 . . . . 63 MET HG3 . 11264 1 705 . 1 1 63 63 MET C C 13 175.440 0.300 . 1 . . . . 63 MET C . 11264 1 706 . 1 1 63 63 MET CA C 13 54.324 0.300 . 1 . . . . 63 MET CA . 11264 1 707 . 1 1 63 63 MET CB C 13 32.441 0.300 . 1 . . . . 63 MET CB . 11264 1 708 . 1 1 63 63 MET CE C 13 16.497 0.300 . 1 . . . . 63 MET CE . 11264 1 709 . 1 1 63 63 MET CG C 13 32.318 0.300 . 1 . . . . 63 MET CG . 11264 1 710 . 1 1 63 63 MET N N 15 125.713 0.300 . 1 . . . . 63 MET N . 11264 1 711 . 1 1 64 64 LEU H H 1 8.968 0.030 . 1 . . . . 64 LEU H . 11264 1 712 . 1 1 64 64 LEU HA H 1 4.693 0.030 . 1 . . . . 64 LEU HA . 11264 1 713 . 1 1 64 64 LEU HB2 H 1 1.350 0.030 . 2 . . . . 64 LEU HB2 . 11264 1 714 . 1 1 64 64 LEU HB3 H 1 1.624 0.030 . 2 . . . . 64 LEU HB3 . 11264 1 715 . 1 1 64 64 LEU HD11 H 1 0.640 0.030 . 1 . . . . 64 LEU HD1 . 11264 1 716 . 1 1 64 64 LEU HD12 H 1 0.640 0.030 . 1 . . . . 64 LEU HD1 . 11264 1 717 . 1 1 64 64 LEU HD13 H 1 0.640 0.030 . 1 . . . . 64 LEU HD1 . 11264 1 718 . 1 1 64 64 LEU HD21 H 1 0.610 0.030 . 1 . . . . 64 LEU HD2 . 11264 1 719 . 1 1 64 64 LEU HD22 H 1 0.610 0.030 . 1 . . . . 64 LEU HD2 . 11264 1 720 . 1 1 64 64 LEU HD23 H 1 0.610 0.030 . 1 . . . . 64 LEU HD2 . 11264 1 721 . 1 1 64 64 LEU HG H 1 1.425 0.030 . 1 . . . . 64 LEU HG . 11264 1 722 . 1 1 64 64 LEU C C 13 174.321 0.300 . 1 . . . . 64 LEU C . 11264 1 723 . 1 1 64 64 LEU CA C 13 51.995 0.300 . 1 . . . . 64 LEU CA . 11264 1 724 . 1 1 64 64 LEU CB C 13 42.352 0.300 . 1 . . . . 64 LEU CB . 11264 1 725 . 1 1 64 64 LEU CD1 C 13 23.833 0.300 . 2 . . . . 64 LEU CD1 . 11264 1 726 . 1 1 64 64 LEU CD2 C 13 25.421 0.300 . 2 . . . . 64 LEU CD2 . 11264 1 727 . 1 1 64 64 LEU CG C 13 27.009 0.300 . 1 . . . . 64 LEU CG . 11264 1 728 . 1 1 64 64 LEU N N 15 126.766 0.300 . 1 . . . . 64 LEU N . 11264 1 729 . 1 1 65 65 PRO HA H 1 4.604 0.030 . 1 . . . . 65 PRO HA . 11264 1 730 . 1 1 65 65 PRO HB2 H 1 2.276 0.030 . 2 . . . . 65 PRO HB2 . 11264 1 731 . 1 1 65 65 PRO HB3 H 1 1.826 0.030 . 2 . . . . 65 PRO HB3 . 11264 1 732 . 1 1 65 65 PRO HD2 H 1 3.470 0.030 . 2 . . . . 65 PRO HD2 . 11264 1 733 . 1 1 65 65 PRO HD3 H 1 3.670 0.030 . 2 . . . . 65 PRO HD3 . 11264 1 734 . 1 1 65 65 PRO HG2 H 1 1.965 0.030 . 1 . . . . 65 PRO HG2 . 11264 1 735 . 1 1 65 65 PRO HG3 H 1 1.965 0.030 . 1 . . . . 65 PRO HG3 . 11264 1 736 . 1 1 65 65 PRO CA C 13 61.416 0.300 . 1 . . . . 65 PRO CA . 11264 1 737 . 1 1 65 65 PRO CB C 13 30.715 0.300 . 1 . . . . 65 PRO CB . 11264 1 738 . 1 1 65 65 PRO CD C 13 50.307 0.300 . 1 . . . . 65 PRO CD . 11264 1 739 . 1 1 65 65 PRO CG C 13 27.274 0.300 . 1 . . . . 65 PRO CG . 11264 1 740 . 1 1 66 66 PRO HA H 1 4.259 0.030 . 1 . . . . 66 PRO HA . 11264 1 741 . 1 1 66 66 PRO HB2 H 1 1.856 0.030 . 2 . . . . 66 PRO HB2 . 11264 1 742 . 1 1 66 66 PRO HB3 H 1 2.226 0.030 . 2 . . . . 66 PRO HB3 . 11264 1 743 . 1 1 66 66 PRO HD2 H 1 3.569 0.030 . 2 . . . . 66 PRO HD2 . 11264 1 744 . 1 1 66 66 PRO HD3 H 1 3.779 0.030 . 2 . . . . 66 PRO HD3 . 11264 1 745 . 1 1 66 66 PRO HG2 H 1 1.841 0.030 . 2 . . . . 66 PRO HG2 . 11264 1 746 . 1 1 66 66 PRO HG3 H 1 2.081 0.030 . 2 . . . . 66 PRO HG3 . 11264 1 747 . 1 1 66 66 PRO C C 13 177.863 0.300 . 1 . . . . 66 PRO C . 11264 1 748 . 1 1 66 66 PRO CA C 13 63.889 0.300 . 1 . . . . 66 PRO CA . 11264 1 749 . 1 1 66 66 PRO CB C 13 31.509 0.300 . 1 . . . . 66 PRO CB . 11264 1 750 . 1 1 66 66 PRO CD C 13 50.166 0.300 . 1 . . . . 66 PRO CD . 11264 1 751 . 1 1 66 66 PRO CG C 13 27.803 0.300 . 1 . . . . 66 PRO CG . 11264 1 752 . 1 1 67 67 GLY H H 1 8.606 0.030 . 1 . . . . 67 GLY H . 11264 1 753 . 1 1 67 67 GLY HA2 H 1 3.688 0.030 . 2 . . . . 67 GLY HA2 . 11264 1 754 . 1 1 67 67 GLY HA3 H 1 4.087 0.030 . 2 . . . . 67 GLY HA3 . 11264 1 755 . 1 1 67 67 GLY C C 13 174.029 0.300 . 1 . . . . 67 GLY C . 11264 1 756 . 1 1 67 67 GLY CA C 13 45.394 0.300 . 1 . . . . 67 GLY CA . 11264 1 757 . 1 1 67 67 GLY N N 15 111.508 0.300 . 1 . . . . 67 GLY N . 11264 1 758 . 1 1 68 68 ALA H H 1 7.788 0.030 . 1 . . . . 68 ALA H . 11264 1 759 . 1 1 68 68 ALA HA H 1 4.338 0.030 . 1 . . . . 68 ALA HA . 11264 1 760 . 1 1 68 68 ALA HB1 H 1 1.394 0.030 . 1 . . . . 68 ALA HB . 11264 1 761 . 1 1 68 68 ALA HB2 H 1 1.394 0.030 . 1 . . . . 68 ALA HB . 11264 1 762 . 1 1 68 68 ALA HB3 H 1 1.394 0.030 . 1 . . . . 68 ALA HB . 11264 1 763 . 1 1 68 68 ALA C C 13 177.472 0.300 . 1 . . . . 68 ALA C . 11264 1 764 . 1 1 68 68 ALA CA C 13 52.383 0.300 . 1 . . . . 68 ALA CA . 11264 1 765 . 1 1 68 68 ALA CB C 13 20.283 0.300 . 1 . . . . 68 ALA CB . 11264 1 766 . 1 1 68 68 ALA N N 15 123.113 0.300 . 1 . . . . 68 ALA N . 11264 1 767 . 1 1 69 69 GLN H H 1 8.654 0.030 . 1 . . . . 69 GLN H . 11264 1 768 . 1 1 69 69 GLN HA H 1 4.334 0.030 . 1 . . . . 69 GLN HA . 11264 1 769 . 1 1 69 69 GLN HB2 H 1 1.816 0.030 . 2 . . . . 69 GLN HB2 . 11264 1 770 . 1 1 69 69 GLN HB3 H 1 2.045 0.030 . 2 . . . . 69 GLN HB3 . 11264 1 771 . 1 1 69 69 GLN HE21 H 1 6.808 0.030 . 2 . . . . 69 GLN HE21 . 11264 1 772 . 1 1 69 69 GLN HE22 H 1 7.476 0.030 . 2 . . . . 69 GLN HE22 . 11264 1 773 . 1 1 69 69 GLN HG2 H 1 2.259 0.030 . 2 . . . . 69 GLN HG2 . 11264 1 774 . 1 1 69 69 GLN HG3 H 1 2.315 0.030 . 2 . . . . 69 GLN HG3 . 11264 1 775 . 1 1 69 69 GLN C C 13 176.086 0.300 . 1 . . . . 69 GLN C . 11264 1 776 . 1 1 69 69 GLN CA C 13 55.256 0.300 . 1 . . . . 69 GLN CA . 11264 1 777 . 1 1 69 69 GLN CB C 13 30.344 0.300 . 1 . . . . 69 GLN CB . 11264 1 778 . 1 1 69 69 GLN CG C 13 33.716 0.300 . 1 . . . . 69 GLN CG . 11264 1 779 . 1 1 69 69 GLN N N 15 118.585 0.300 . 1 . . . . 69 GLN N . 11264 1 780 . 1 1 69 69 GLN NE2 N 15 112.824 0.300 . 1 . . . . 69 GLN NE2 . 11264 1 781 . 1 1 70 70 HIS H H 1 8.249 0.030 . 1 . . . . 70 HIS H . 11264 1 782 . 1 1 70 70 HIS HA H 1 4.373 0.030 . 1 . . . . 70 HIS HA . 11264 1 783 . 1 1 70 70 HIS HB2 H 1 2.865 0.030 . 2 . . . . 70 HIS HB2 . 11264 1 784 . 1 1 70 70 HIS HB3 H 1 3.012 0.030 . 2 . . . . 70 HIS HB3 . 11264 1 785 . 1 1 70 70 HIS HD2 H 1 6.960 0.030 . 1 . . . . 70 HIS HD2 . 11264 1 786 . 1 1 70 70 HIS HE1 H 1 7.759 0.030 . 1 . . . . 70 HIS HE1 . 11264 1 787 . 1 1 70 70 HIS C C 13 174.893 0.300 . 1 . . . . 70 HIS C . 11264 1 788 . 1 1 70 70 HIS CA C 13 56.901 0.300 . 1 . . . . 70 HIS CA . 11264 1 789 . 1 1 70 70 HIS CB C 13 30.837 0.300 . 1 . . . . 70 HIS CB . 11264 1 790 . 1 1 70 70 HIS CD2 C 13 120.182 0.300 . 1 . . . . 70 HIS CD2 . 11264 1 791 . 1 1 70 70 HIS CE1 C 13 138.184 0.300 . 1 . . . . 70 HIS CE1 . 11264 1 792 . 1 1 70 70 HIS N N 15 118.737 0.300 . 1 . . . . 70 HIS N . 11264 1 793 . 1 1 71 71 SER H H 1 7.835 0.030 . 1 . . . . 71 SER H . 11264 1 794 . 1 1 71 71 SER HA H 1 4.131 0.030 . 1 . . . . 71 SER HA . 11264 1 795 . 1 1 71 71 SER HB2 H 1 3.540 0.030 . 2 . . . . 71 SER HB2 . 11264 1 796 . 1 1 71 71 SER HB3 H 1 3.813 0.030 . 2 . . . . 71 SER HB3 . 11264 1 797 . 1 1 71 71 SER C C 13 173.932 0.300 . 1 . . . . 71 SER C . 11264 1 798 . 1 1 71 71 SER CA C 13 58.631 0.300 . 1 . . . . 71 SER CA . 11264 1 799 . 1 1 71 71 SER CB C 13 63.408 0.300 . 1 . . . . 71 SER CB . 11264 1 800 . 1 1 71 71 SER N N 15 113.804 0.300 . 1 . . . . 71 SER N . 11264 1 801 . 1 1 72 72 ASP H H 1 8.164 0.030 . 1 . . . . 72 ASP H . 11264 1 802 . 1 1 72 72 ASP HA H 1 4.544 0.030 . 1 . . . . 72 ASP HA . 11264 1 803 . 1 1 72 72 ASP HB2 H 1 2.718 0.030 . 1 . . . . 72 ASP HB2 . 11264 1 804 . 1 1 72 72 ASP HB3 H 1 2.718 0.030 . 1 . . . . 72 ASP HB3 . 11264 1 805 . 1 1 72 72 ASP C C 13 176.098 0.300 . 1 . . . . 72 ASP C . 11264 1 806 . 1 1 72 72 ASP CA C 13 54.166 0.300 . 1 . . . . 72 ASP CA . 11264 1 807 . 1 1 72 72 ASP CB C 13 41.077 0.300 . 1 . . . . 72 ASP CB . 11264 1 808 . 1 1 72 72 ASP N N 15 121.964 0.300 . 1 . . . . 72 ASP N . 11264 1 809 . 1 1 73 73 GLU H H 1 8.121 0.030 . 1 . . . . 73 GLU H . 11264 1 810 . 1 1 73 73 GLU HA H 1 4.133 0.030 . 1 . . . . 73 GLU HA . 11264 1 811 . 1 1 73 73 GLU HB2 H 1 1.910 0.030 . 2 . . . . 73 GLU HB2 . 11264 1 812 . 1 1 73 73 GLU HB3 H 1 2.016 0.030 . 2 . . . . 73 GLU HB3 . 11264 1 813 . 1 1 73 73 GLU HG2 H 1 2.149 0.030 . 2 . . . . 73 GLU HG2 . 11264 1 814 . 1 1 73 73 GLU HG3 H 1 2.228 0.030 . 2 . . . . 73 GLU HG3 . 11264 1 815 . 1 1 73 73 GLU C C 13 176.912 0.300 . 1 . . . . 73 GLU C . 11264 1 816 . 1 1 73 73 GLU CA C 13 57.024 0.300 . 1 . . . . 73 GLU CA . 11264 1 817 . 1 1 73 73 GLU CB C 13 30.186 0.300 . 1 . . . . 73 GLU CB . 11264 1 818 . 1 1 73 73 GLU CG C 13 36.513 0.300 . 1 . . . . 73 GLU CG . 11264 1 819 . 1 1 73 73 GLU N N 15 120.857 0.300 . 1 . . . . 73 GLU N . 11264 1 820 . 1 1 74 74 ARG H H 1 8.311 0.030 . 1 . . . . 74 ARG H . 11264 1 821 . 1 1 74 74 ARG HA H 1 4.139 0.030 . 1 . . . . 74 ARG HA . 11264 1 822 . 1 1 74 74 ARG HB2 H 1 1.790 0.030 . 1 . . . . 74 ARG HB2 . 11264 1 823 . 1 1 74 74 ARG HB3 H 1 1.790 0.030 . 1 . . . . 74 ARG HB3 . 11264 1 824 . 1 1 74 74 ARG HD2 H 1 3.180 0.030 . 2 . . . . 74 ARG HD2 . 11264 1 825 . 1 1 74 74 ARG HD3 H 1 3.125 0.030 . 2 . . . . 74 ARG HD3 . 11264 1 826 . 1 1 74 74 ARG HG2 H 1 1.588 0.030 . 2 . . . . 74 ARG HG2 . 11264 1 827 . 1 1 74 74 ARG HG3 H 1 1.638 0.030 . 2 . . . . 74 ARG HG3 . 11264 1 828 . 1 1 74 74 ARG C C 13 177.058 0.300 . 1 . . . . 74 ARG C . 11264 1 829 . 1 1 74 74 ARG CA C 13 57.077 0.300 . 1 . . . . 74 ARG CA . 11264 1 830 . 1 1 74 74 ARG CB C 13 30.262 0.300 . 1 . . . . 74 ARG CB . 11264 1 831 . 1 1 74 74 ARG CD C 13 43.421 0.300 . 1 . . . . 74 ARG CD . 11264 1 832 . 1 1 74 74 ARG CG C 13 27.009 0.300 . 1 . . . . 74 ARG CG . 11264 1 833 . 1 1 74 74 ARG N N 15 121.482 0.300 . 1 . . . . 74 ARG N . 11264 1 834 . 1 1 75 75 GLY H H 1 8.516 0.030 . 1 . . . . 75 GLY H . 11264 1 835 . 1 1 75 75 GLY HA2 H 1 3.909 0.030 . 2 . . . . 75 GLY HA2 . 11264 1 836 . 1 1 75 75 GLY HA3 H 1 3.833 0.030 . 2 . . . . 75 GLY HA3 . 11264 1 837 . 1 1 75 75 GLY C C 13 173.863 0.300 . 1 . . . . 75 GLY C . 11264 1 838 . 1 1 75 75 GLY CA C 13 45.236 0.300 . 1 . . . . 75 GLY CA . 11264 1 839 . 1 1 75 75 GLY N N 15 109.926 0.300 . 1 . . . . 75 GLY N . 11264 1 840 . 1 1 76 76 ALA H H 1 7.729 0.030 . 1 . . . . 76 ALA H . 11264 1 841 . 1 1 76 76 ALA HA H 1 4.407 0.030 . 1 . . . . 76 ALA HA . 11264 1 842 . 1 1 76 76 ALA HB1 H 1 1.246 0.030 . 1 . . . . 76 ALA HB . 11264 1 843 . 1 1 76 76 ALA HB2 H 1 1.246 0.030 . 1 . . . . 76 ALA HB . 11264 1 844 . 1 1 76 76 ALA HB3 H 1 1.246 0.030 . 1 . . . . 76 ALA HB . 11264 1 845 . 1 1 76 76 ALA C C 13 177.205 0.300 . 1 . . . . 76 ALA C . 11264 1 846 . 1 1 76 76 ALA CA C 13 52.295 0.300 . 1 . . . . 76 ALA CA . 11264 1 847 . 1 1 76 76 ALA CB C 13 20.309 0.300 . 1 . . . . 76 ALA CB . 11264 1 848 . 1 1 76 76 ALA N N 15 122.766 0.300 . 1 . . . . 76 ALA N . 11264 1 849 . 1 1 77 77 LYS H H 1 8.242 0.030 . 1 . . . . 77 LYS H . 11264 1 850 . 1 1 77 77 LYS HA H 1 4.455 0.030 . 1 . . . . 77 LYS HA . 11264 1 851 . 1 1 77 77 LYS HB2 H 1 1.743 0.030 . 2 . . . . 77 LYS HB2 . 11264 1 852 . 1 1 77 77 LYS HB3 H 1 1.788 0.030 . 2 . . . . 77 LYS HB3 . 11264 1 853 . 1 1 77 77 LYS HD2 H 1 1.676 0.030 . 1 . . . . 77 LYS HD2 . 11264 1 854 . 1 1 77 77 LYS HD3 H 1 1.676 0.030 . 1 . . . . 77 LYS HD3 . 11264 1 855 . 1 1 77 77 LYS HE2 H 1 2.969 0.030 . 1 . . . . 77 LYS HE2 . 11264 1 856 . 1 1 77 77 LYS HE3 H 1 2.969 0.030 . 1 . . . . 77 LYS HE3 . 11264 1 857 . 1 1 77 77 LYS HG2 H 1 1.427 0.030 . 2 . . . . 77 LYS HG2 . 11264 1 858 . 1 1 77 77 LYS HG3 H 1 1.370 0.030 . 2 . . . . 77 LYS HG3 . 11264 1 859 . 1 1 77 77 LYS C C 13 174.419 0.300 . 1 . . . . 77 LYS C . 11264 1 860 . 1 1 77 77 LYS CA C 13 55.506 0.300 . 1 . . . . 77 LYS CA . 11264 1 861 . 1 1 77 77 LYS CB C 13 34.210 0.300 . 1 . . . . 77 LYS CB . 11264 1 862 . 1 1 77 77 LYS CD C 13 28.862 0.300 . 1 . . . . 77 LYS CD . 11264 1 863 . 1 1 77 77 LYS CE C 13 42.270 0.300 . 1 . . . . 77 LYS CE . 11264 1 864 . 1 1 77 77 LYS CG C 13 24.892 0.300 . 1 . . . . 77 LYS CG . 11264 1 865 . 1 1 77 77 LYS N N 15 121.671 0.300 . 1 . . . . 77 LYS N . 11264 1 866 . 1 1 78 78 GLU H H 1 8.497 0.030 . 1 . . . . 78 GLU H . 11264 1 867 . 1 1 78 78 GLU HA H 1 5.103 0.030 . 1 . . . . 78 GLU HA . 11264 1 868 . 1 1 78 78 GLU HB2 H 1 1.748 0.030 . 1 . . . . 78 GLU HB2 . 11264 1 869 . 1 1 78 78 GLU HB3 H 1 1.748 0.030 . 1 . . . . 78 GLU HB3 . 11264 1 870 . 1 1 78 78 GLU HG2 H 1 1.837 0.030 . 2 . . . . 78 GLU HG2 . 11264 1 871 . 1 1 78 78 GLU HG3 H 1 1.918 0.030 . 2 . . . . 78 GLU HG3 . 11264 1 872 . 1 1 78 78 GLU C C 13 175.575 0.300 . 1 . . . . 78 GLU C . 11264 1 873 . 1 1 78 78 GLU CA C 13 54.554 0.300 . 1 . . . . 78 GLU CA . 11264 1 874 . 1 1 78 78 GLU CB C 13 32.811 0.300 . 1 . . . . 78 GLU CB . 11264 1 875 . 1 1 78 78 GLU CG C 13 36.513 0.300 . 1 . . . . 78 GLU CG . 11264 1 876 . 1 1 78 78 GLU N N 15 124.104 0.300 . 1 . . . . 78 GLU N . 11264 1 877 . 1 1 79 79 ILE H H 1 8.761 0.030 . 1 . . . . 79 ILE H . 11264 1 878 . 1 1 79 79 ILE HA H 1 4.321 0.030 . 1 . . . . 79 ILE HA . 11264 1 879 . 1 1 79 79 ILE HB H 1 1.549 0.030 . 1 . . . . 79 ILE HB . 11264 1 880 . 1 1 79 79 ILE HD11 H 1 0.817 0.030 . 1 . . . . 79 ILE HD1 . 11264 1 881 . 1 1 79 79 ILE HD12 H 1 0.817 0.030 . 1 . . . . 79 ILE HD1 . 11264 1 882 . 1 1 79 79 ILE HD13 H 1 0.817 0.030 . 1 . . . . 79 ILE HD1 . 11264 1 883 . 1 1 79 79 ILE HG12 H 1 1.077 0.030 . 2 . . . . 79 ILE HG12 . 11264 1 884 . 1 1 79 79 ILE HG13 H 1 1.354 0.030 . 2 . . . . 79 ILE HG13 . 11264 1 885 . 1 1 79 79 ILE HG21 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11264 1 886 . 1 1 79 79 ILE HG22 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11264 1 887 . 1 1 79 79 ILE HG23 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11264 1 888 . 1 1 79 79 ILE C C 13 174.991 0.300 . 1 . . . . 79 ILE C . 11264 1 889 . 1 1 79 79 ILE CA C 13 60.183 0.300 . 1 . . . . 79 ILE CA . 11264 1 890 . 1 1 79 79 ILE CB C 13 41.694 0.300 . 1 . . . . 79 ILE CB . 11264 1 891 . 1 1 79 79 ILE CD1 C 13 13.236 0.300 . 1 . . . . 79 ILE CD1 . 11264 1 892 . 1 1 79 79 ILE CG1 C 13 27.461 0.300 . 1 . . . . 79 ILE CG1 . 11264 1 893 . 1 1 79 79 ILE CG2 C 13 17.513 0.300 . 1 . . . . 79 ILE CG2 . 11264 1 894 . 1 1 79 79 ILE N N 15 125.413 0.300 . 1 . . . . 79 ILE N . 11264 1 895 . 1 1 80 80 ILE H H 1 8.824 0.030 . 1 . . . . 80 ILE H . 11264 1 896 . 1 1 80 80 ILE HA H 1 4.063 0.030 . 1 . . . . 80 ILE HA . 11264 1 897 . 1 1 80 80 ILE HB H 1 1.736 0.030 . 1 . . . . 80 ILE HB . 11264 1 898 . 1 1 80 80 ILE HD11 H 1 0.796 0.030 . 1 . . . . 80 ILE HD1 . 11264 1 899 . 1 1 80 80 ILE HD12 H 1 0.796 0.030 . 1 . . . . 80 ILE HD1 . 11264 1 900 . 1 1 80 80 ILE HD13 H 1 0.796 0.030 . 1 . . . . 80 ILE HD1 . 11264 1 901 . 1 1 80 80 ILE HG12 H 1 1.565 0.030 . 2 . . . . 80 ILE HG12 . 11264 1 902 . 1 1 80 80 ILE HG13 H 1 1.133 0.030 . 2 . . . . 80 ILE HG13 . 11264 1 903 . 1 1 80 80 ILE HG21 H 1 0.843 0.030 . 1 . . . . 80 ILE HG2 . 11264 1 904 . 1 1 80 80 ILE HG22 H 1 0.843 0.030 . 1 . . . . 80 ILE HG2 . 11264 1 905 . 1 1 80 80 ILE HG23 H 1 0.843 0.030 . 1 . . . . 80 ILE HG2 . 11264 1 906 . 1 1 80 80 ILE C C 13 177.022 0.300 . 1 . . . . 80 ILE C . 11264 1 907 . 1 1 80 80 ILE CA C 13 61.860 0.300 . 1 . . . . 80 ILE CA . 11264 1 908 . 1 1 80 80 ILE CB C 13 37.747 0.300 . 1 . . . . 80 ILE CB . 11264 1 909 . 1 1 80 80 ILE CD1 C 13 12.547 0.300 . 1 . . . . 80 ILE CD1 . 11264 1 910 . 1 1 80 80 ILE CG1 C 13 28.599 0.300 . 1 . . . . 80 ILE CG1 . 11264 1 911 . 1 1 80 80 ILE CG2 C 13 17.760 0.300 . 1 . . . . 80 ILE CG2 . 11264 1 912 . 1 1 80 80 ILE N N 15 128.583 0.300 . 1 . . . . 80 ILE N . 11264 1 913 . 1 1 81 81 LEU H H 1 9.134 0.030 . 1 . . . . 81 LEU H . 11264 1 914 . 1 1 81 81 LEU HA H 1 4.327 0.030 . 1 . . . . 81 LEU HA . 11264 1 915 . 1 1 81 81 LEU HB2 H 1 1.561 0.030 . 2 . . . . 81 LEU HB2 . 11264 1 916 . 1 1 81 81 LEU HB3 H 1 1.819 0.030 . 2 . . . . 81 LEU HB3 . 11264 1 917 . 1 1 81 81 LEU HD11 H 1 0.879 0.030 . 1 . . . . 81 LEU HD1 . 11264 1 918 . 1 1 81 81 LEU HD12 H 1 0.879 0.030 . 1 . . . . 81 LEU HD1 . 11264 1 919 . 1 1 81 81 LEU HD13 H 1 0.879 0.030 . 1 . . . . 81 LEU HD1 . 11264 1 920 . 1 1 81 81 LEU HD21 H 1 0.804 0.030 . 1 . . . . 81 LEU HD2 . 11264 1 921 . 1 1 81 81 LEU HD22 H 1 0.804 0.030 . 1 . . . . 81 LEU HD2 . 11264 1 922 . 1 1 81 81 LEU HD23 H 1 0.804 0.030 . 1 . . . . 81 LEU HD2 . 11264 1 923 . 1 1 81 81 LEU HG H 1 1.804 0.030 . 1 . . . . 81 LEU HG . 11264 1 924 . 1 1 81 81 LEU C C 13 178.093 0.300 . 1 . . . . 81 LEU C . 11264 1 925 . 1 1 81 81 LEU CA C 13 56.089 0.300 . 1 . . . . 81 LEU CA . 11264 1 926 . 1 1 81 81 LEU CB C 13 40.625 0.300 . 1 . . . . 81 LEU CB . 11264 1 927 . 1 1 81 81 LEU CD1 C 13 25.949 0.300 . 2 . . . . 81 LEU CD1 . 11264 1 928 . 1 1 81 81 LEU CD2 C 13 25.421 0.300 . 2 . . . . 81 LEU CD2 . 11264 1 929 . 1 1 81 81 LEU CG C 13 29.127 0.300 . 1 . . . . 81 LEU CG . 11264 1 930 . 1 1 81 81 LEU N N 15 130.608 0.300 . 1 . . . . 81 LEU N . 11264 1 931 . 1 1 82 82 ASP H H 1 9.814 0.030 . 1 . . . . 82 ASP H . 11264 1 932 . 1 1 82 82 ASP HA H 1 4.647 0.030 . 1 . . . . 82 ASP HA . 11264 1 933 . 1 1 82 82 ASP HB2 H 1 2.753 0.030 . 2 . . . . 82 ASP HB2 . 11264 1 934 . 1 1 82 82 ASP HB3 H 1 2.896 0.030 . 2 . . . . 82 ASP HB3 . 11264 1 935 . 1 1 82 82 ASP C C 13 177.082 0.300 . 1 . . . . 82 ASP C . 11264 1 936 . 1 1 82 82 ASP CA C 13 54.553 0.300 . 1 . . . . 82 ASP CA . 11264 1 937 . 1 1 82 82 ASP CB C 13 41.568 0.300 . 1 . . . . 82 ASP CB . 11264 1 938 . 1 1 82 82 ASP N N 15 125.448 0.300 . 1 . . . . 82 ASP N . 11264 1 939 . 1 1 83 83 ASP H H 1 8.576 0.030 . 1 . . . . 83 ASP H . 11264 1 940 . 1 1 83 83 ASP HA H 1 4.270 0.030 . 1 . . . . 83 ASP HA . 11264 1 941 . 1 1 83 83 ASP HB2 H 1 2.603 0.030 . 2 . . . . 83 ASP HB2 . 11264 1 942 . 1 1 83 83 ASP HB3 H 1 2.781 0.030 . 2 . . . . 83 ASP HB3 . 11264 1 943 . 1 1 83 83 ASP C C 13 175.514 0.300 . 1 . . . . 83 ASP C . 11264 1 944 . 1 1 83 83 ASP CA C 13 57.836 0.300 . 1 . . . . 83 ASP CA . 11264 1 945 . 1 1 83 83 ASP CB C 13 41.036 0.300 . 1 . . . . 83 ASP CB . 11264 1 946 . 1 1 83 83 ASP N N 15 119.231 0.300 . 1 . . . . 83 ASP N . 11264 1 947 . 1 1 84 84 ASP H H 1 8.118 0.030 . 1 . . . . 84 ASP H . 11264 1 948 . 1 1 84 84 ASP HA H 1 4.681 0.030 . 1 . . . . 84 ASP HA . 11264 1 949 . 1 1 84 84 ASP HB2 H 1 2.662 0.030 . 2 . . . . 84 ASP HB2 . 11264 1 950 . 1 1 84 84 ASP HB3 H 1 2.847 0.030 . 2 . . . . 84 ASP HB3 . 11264 1 951 . 1 1 84 84 ASP C C 13 177.010 0.300 . 1 . . . . 84 ASP C . 11264 1 952 . 1 1 84 84 ASP CA C 13 53.283 0.300 . 1 . . . . 84 ASP CA . 11264 1 953 . 1 1 84 84 ASP CB C 13 40.502 0.300 . 1 . . . . 84 ASP CB . 11264 1 954 . 1 1 84 84 ASP N N 15 110.496 0.300 . 1 . . . . 84 ASP N . 11264 1 955 . 1 1 85 85 GLU H H 1 7.707 0.030 . 1 . . . . 85 GLU H . 11264 1 956 . 1 1 85 85 GLU HA H 1 4.381 0.030 . 1 . . . . 85 GLU HA . 11264 1 957 . 1 1 85 85 GLU HB2 H 1 2.056 0.030 . 2 . . . . 85 GLU HB2 . 11264 1 958 . 1 1 85 85 GLU HB3 H 1 2.159 0.030 . 2 . . . . 85 GLU HB3 . 11264 1 959 . 1 1 85 85 GLU HG2 H 1 2.429 0.030 . 2 . . . . 85 GLU HG2 . 11264 1 960 . 1 1 85 85 GLU HG3 H 1 2.244 0.030 . 2 . . . . 85 GLU HG3 . 11264 1 961 . 1 1 85 85 GLU C C 13 176.304 0.300 . 1 . . . . 85 GLU C . 11264 1 962 . 1 1 85 85 GLU CA C 13 57.607 0.300 . 1 . . . . 85 GLU CA . 11264 1 963 . 1 1 85 85 GLU CB C 13 31.783 0.300 . 1 . . . . 85 GLU CB . 11264 1 964 . 1 1 85 85 GLU CG C 13 39.695 0.300 . 1 . . . . 85 GLU CG . 11264 1 965 . 1 1 85 85 GLU N N 15 120.184 0.300 . 1 . . . . 85 GLU N . 11264 1 966 . 1 1 86 86 CYS H H 1 8.904 0.030 . 1 . . . . 86 CYS H . 11264 1 967 . 1 1 86 86 CYS HA H 1 5.374 0.030 . 1 . . . . 86 CYS HA . 11264 1 968 . 1 1 86 86 CYS HB2 H 1 2.845 0.030 . 2 . . . . 86 CYS HB2 . 11264 1 969 . 1 1 86 86 CYS HB3 H 1 3.147 0.030 . 2 . . . . 86 CYS HB3 . 11264 1 970 . 1 1 86 86 CYS C C 13 175.193 0.300 . 1 . . . . 86 CYS C . 11264 1 971 . 1 1 86 86 CYS CA C 13 56.407 0.300 . 1 . . . . 86 CYS CA . 11264 1 972 . 1 1 86 86 CYS CB C 13 28.946 0.300 . 1 . . . . 86 CYS CB . 11264 1 973 . 1 1 86 86 CYS N N 15 119.398 0.300 . 1 . . . . 86 CYS N . 11264 1 974 . 1 1 87 87 PRO HA H 1 3.870 0.030 . 1 . . . . 87 PRO HA . 11264 1 975 . 1 1 87 87 PRO HB2 H 1 1.203 0.030 . 2 . . . . 87 PRO HB2 . 11264 1 976 . 1 1 87 87 PRO HB3 H 1 1.409 0.030 . 2 . . . . 87 PRO HB3 . 11264 1 977 . 1 1 87 87 PRO HD2 H 1 4.045 0.030 . 2 . . . . 87 PRO HD2 . 11264 1 978 . 1 1 87 87 PRO HD3 H 1 3.700 0.030 . 2 . . . . 87 PRO HD3 . 11264 1 979 . 1 1 87 87 PRO HG2 H 1 1.379 0.030 . 2 . . . . 87 PRO HG2 . 11264 1 980 . 1 1 87 87 PRO HG3 H 1 1.491 0.030 . 2 . . . . 87 PRO HG3 . 11264 1 981 . 1 1 87 87 PRO C C 13 176.520 0.300 . 1 . . . . 87 PRO C . 11264 1 982 . 1 1 87 87 PRO CA C 13 65.513 0.300 . 1 . . . . 87 PRO CA . 11264 1 983 . 1 1 87 87 PRO CB C 13 32.039 0.300 . 1 . . . . 87 PRO CB . 11264 1 984 . 1 1 87 87 PRO CD C 13 50.166 0.300 . 1 . . . . 87 PRO CD . 11264 1 985 . 1 1 87 87 PRO CG C 13 26.745 0.300 . 1 . . . . 87 PRO CG . 11264 1 986 . 1 1 88 88 LEU H H 1 9.088 0.030 . 1 . . . . 88 LEU H . 11264 1 987 . 1 1 88 88 LEU HA H 1 4.144 0.030 . 1 . . . . 88 LEU HA . 11264 1 988 . 1 1 88 88 LEU HB2 H 1 1.086 0.030 . 2 . . . . 88 LEU HB2 . 11264 1 989 . 1 1 88 88 LEU HB3 H 1 1.474 0.030 . 2 . . . . 88 LEU HB3 . 11264 1 990 . 1 1 88 88 LEU HD11 H 1 0.858 0.030 . 1 . . . . 88 LEU HD1 . 11264 1 991 . 1 1 88 88 LEU HD12 H 1 0.858 0.030 . 1 . . . . 88 LEU HD1 . 11264 1 992 . 1 1 88 88 LEU HD13 H 1 0.858 0.030 . 1 . . . . 88 LEU HD1 . 11264 1 993 . 1 1 88 88 LEU HD21 H 1 0.675 0.030 . 1 . . . . 88 LEU HD2 . 11264 1 994 . 1 1 88 88 LEU HD22 H 1 0.675 0.030 . 1 . . . . 88 LEU HD2 . 11264 1 995 . 1 1 88 88 LEU HD23 H 1 0.675 0.030 . 1 . . . . 88 LEU HD2 . 11264 1 996 . 1 1 88 88 LEU HG H 1 1.542 0.030 . 1 . . . . 88 LEU HG . 11264 1 997 . 1 1 88 88 LEU C C 13 178.433 0.300 . 1 . . . . 88 LEU C . 11264 1 998 . 1 1 88 88 LEU CA C 13 57.395 0.300 . 1 . . . . 88 LEU CA . 11264 1 999 . 1 1 88 88 LEU CB C 13 42.394 0.300 . 1 . . . . 88 LEU CB . 11264 1 1000 . 1 1 88 88 LEU CD1 C 13 23.040 0.300 . 2 . . . . 88 LEU CD1 . 11264 1 1001 . 1 1 88 88 LEU CD2 C 13 26.161 0.300 . 2 . . . . 88 LEU CD2 . 11264 1 1002 . 1 1 88 88 LEU CG C 13 26.396 0.300 . 1 . . . . 88 LEU CG . 11264 1 1003 . 1 1 88 88 LEU N N 15 115.335 0.300 . 1 . . . . 88 LEU N . 11264 1 1004 . 1 1 89 89 GLN H H 1 6.763 0.030 . 1 . . . . 89 GLN H . 11264 1 1005 . 1 1 89 89 GLN HA H 1 4.099 0.030 . 1 . . . . 89 GLN HA . 11264 1 1006 . 1 1 89 89 GLN HB2 H 1 2.287 0.030 . 2 . . . . 89 GLN HB2 . 11264 1 1007 . 1 1 89 89 GLN HB3 H 1 2.337 0.030 . 2 . . . . 89 GLN HB3 . 11264 1 1008 . 1 1 89 89 GLN HE21 H 1 7.765 0.030 . 2 . . . . 89 GLN HE21 . 11264 1 1009 . 1 1 89 89 GLN HE22 H 1 6.730 0.030 . 2 . . . . 89 GLN HE22 . 11264 1 1010 . 1 1 89 89 GLN HG2 H 1 2.393 0.030 . 2 . . . . 89 GLN HG2 . 11264 1 1011 . 1 1 89 89 GLN HG3 H 1 2.466 0.030 . 2 . . . . 89 GLN HG3 . 11264 1 1012 . 1 1 89 89 GLN C C 13 177.727 0.300 . 1 . . . . 89 GLN C . 11264 1 1013 . 1 1 89 89 GLN CA C 13 58.931 0.300 . 1 . . . . 89 GLN CA . 11264 1 1014 . 1 1 89 89 GLN CB C 13 28.123 0.300 . 1 . . . . 89 GLN CB . 11264 1 1015 . 1 1 89 89 GLN CG C 13 32.739 0.300 . 1 . . . . 89 GLN CG . 11264 1 1016 . 1 1 89 89 GLN N N 15 117.985 0.300 . 1 . . . . 89 GLN N . 11264 1 1017 . 1 1 89 89 GLN NE2 N 15 111.834 0.300 . 1 . . . . 89 GLN NE2 . 11264 1 1018 . 1 1 90 90 ILE H H 1 7.683 0.030 . 1 . . . . 90 ILE H . 11264 1 1019 . 1 1 90 90 ILE HA H 1 3.792 0.030 . 1 . . . . 90 ILE HA . 11264 1 1020 . 1 1 90 90 ILE HB H 1 2.033 0.030 . 1 . . . . 90 ILE HB . 11264 1 1021 . 1 1 90 90 ILE HD11 H 1 0.912 0.030 . 1 . . . . 90 ILE HD1 . 11264 1 1022 . 1 1 90 90 ILE HD12 H 1 0.912 0.030 . 1 . . . . 90 ILE HD1 . 11264 1 1023 . 1 1 90 90 ILE HD13 H 1 0.912 0.030 . 1 . . . . 90 ILE HD1 . 11264 1 1024 . 1 1 90 90 ILE HG12 H 1 1.844 0.030 . 2 . . . . 90 ILE HG12 . 11264 1 1025 . 1 1 90 90 ILE HG13 H 1 1.166 0.030 . 2 . . . . 90 ILE HG13 . 11264 1 1026 . 1 1 90 90 ILE HG21 H 1 1.014 0.030 . 1 . . . . 90 ILE HG2 . 11264 1 1027 . 1 1 90 90 ILE HG22 H 1 1.014 0.030 . 1 . . . . 90 ILE HG2 . 11264 1 1028 . 1 1 90 90 ILE HG23 H 1 1.014 0.030 . 1 . . . . 90 ILE HG2 . 11264 1 1029 . 1 1 90 90 ILE C C 13 178.786 0.300 . 1 . . . . 90 ILE C . 11264 1 1030 . 1 1 90 90 ILE CA C 13 64.860 0.300 . 1 . . . . 90 ILE CA . 11264 1 1031 . 1 1 90 90 ILE CB C 13 38.692 0.300 . 1 . . . . 90 ILE CB . 11264 1 1032 . 1 1 90 90 ILE CD1 C 13 15.098 0.300 . 1 . . . . 90 ILE CD1 . 11264 1 1033 . 1 1 90 90 ILE CG1 C 13 28.862 0.300 . 1 . . . . 90 ILE CG1 . 11264 1 1034 . 1 1 90 90 ILE CG2 C 13 16.937 0.300 . 1 . . . . 90 ILE CG2 . 11264 1 1035 . 1 1 90 90 ILE N N 15 118.072 0.300 . 1 . . . . 90 ILE N . 11264 1 1036 . 1 1 91 91 PHE H H 1 8.322 0.030 . 1 . . . . 91 PHE H . 11264 1 1037 . 1 1 91 91 PHE HA H 1 4.245 0.030 . 1 . . . . 91 PHE HA . 11264 1 1038 . 1 1 91 91 PHE HB2 H 1 3.332 0.030 . 2 . . . . 91 PHE HB2 . 11264 1 1039 . 1 1 91 91 PHE HB3 H 1 3.380 0.030 . 2 . . . . 91 PHE HB3 . 11264 1 1040 . 1 1 91 91 PHE HD1 H 1 7.204 0.030 . 1 . . . . 91 PHE HD1 . 11264 1 1041 . 1 1 91 91 PHE HD2 H 1 7.204 0.030 . 1 . . . . 91 PHE HD2 . 11264 1 1042 . 1 1 91 91 PHE HE1 H 1 7.537 0.030 . 1 . . . . 91 PHE HE1 . 11264 1 1043 . 1 1 91 91 PHE HE2 H 1 7.537 0.030 . 1 . . . . 91 PHE HE2 . 11264 1 1044 . 1 1 91 91 PHE HZ H 1 7.450 0.030 . 1 . . . . 91 PHE HZ . 11264 1 1045 . 1 1 91 91 PHE C C 13 177.777 0.300 . 1 . . . . 91 PHE C . 11264 1 1046 . 1 1 91 91 PHE CA C 13 61.789 0.300 . 1 . . . . 91 PHE CA . 11264 1 1047 . 1 1 91 91 PHE CB C 13 40.245 0.300 . 1 . . . . 91 PHE CB . 11264 1 1048 . 1 1 91 91 PHE CD1 C 13 131.704 0.300 . 1 . . . . 91 PHE CD1 . 11264 1 1049 . 1 1 91 91 PHE CD2 C 13 131.704 0.300 . 1 . . . . 91 PHE CD2 . 11264 1 1050 . 1 1 91 91 PHE CE1 C 13 131.867 0.300 . 1 . . . . 91 PHE CE1 . 11264 1 1051 . 1 1 91 91 PHE CE2 C 13 131.867 0.300 . 1 . . . . 91 PHE CE2 . 11264 1 1052 . 1 1 91 91 PHE CZ C 13 130.483 0.300 . 1 . . . . 91 PHE CZ . 11264 1 1053 . 1 1 91 91 PHE N N 15 118.278 0.300 . 1 . . . . 91 PHE N . 11264 1 1054 . 1 1 92 92 ARG H H 1 8.497 0.030 . 1 . . . . 92 ARG H . 11264 1 1055 . 1 1 92 92 ARG HA H 1 3.962 0.030 . 1 . . . . 92 ARG HA . 11264 1 1056 . 1 1 92 92 ARG HB2 H 1 1.911 0.030 . 2 . . . . 92 ARG HB2 . 11264 1 1057 . 1 1 92 92 ARG HB3 H 1 2.032 0.030 . 2 . . . . 92 ARG HB3 . 11264 1 1058 . 1 1 92 92 ARG HD2 H 1 3.049 0.030 . 2 . . . . 92 ARG HD2 . 11264 1 1059 . 1 1 92 92 ARG HD3 H 1 3.219 0.030 . 2 . . . . 92 ARG HD3 . 11264 1 1060 . 1 1 92 92 ARG HG2 H 1 1.821 0.030 . 2 . . . . 92 ARG HG2 . 11264 1 1061 . 1 1 92 92 ARG HG3 H 1 2.093 0.030 . 2 . . . . 92 ARG HG3 . 11264 1 1062 . 1 1 92 92 ARG C C 13 178.457 0.300 . 1 . . . . 92 ARG C . 11264 1 1063 . 1 1 92 92 ARG CA C 13 59.195 0.300 . 1 . . . . 92 ARG CA . 11264 1 1064 . 1 1 92 92 ARG CB C 13 30.186 0.300 . 1 . . . . 92 ARG CB . 11264 1 1065 . 1 1 92 92 ARG CD C 13 43.997 0.300 . 1 . . . . 92 ARG CD . 11264 1 1066 . 1 1 92 92 ARG CG C 13 28.862 0.300 . 1 . . . . 92 ARG CG . 11264 1 1067 . 1 1 92 92 ARG N N 15 117.787 0.300 . 1 . . . . 92 ARG N . 11264 1 1068 . 1 1 93 93 GLU H H 1 7.837 0.030 . 1 . . . . 93 GLU H . 11264 1 1069 . 1 1 93 93 GLU HA H 1 4.224 0.030 . 1 . . . . 93 GLU HA . 11264 1 1070 . 1 1 93 93 GLU HB2 H 1 2.010 0.030 . 2 . . . . 93 GLU HB2 . 11264 1 1071 . 1 1 93 93 GLU HB3 H 1 2.192 0.030 . 2 . . . . 93 GLU HB3 . 11264 1 1072 . 1 1 93 93 GLU HG2 H 1 2.282 0.030 . 2 . . . . 93 GLU HG2 . 11264 1 1073 . 1 1 93 93 GLU HG3 H 1 2.540 0.030 . 2 . . . . 93 GLU HG3 . 11264 1 1074 . 1 1 93 93 GLU C C 13 176.074 0.300 . 1 . . . . 93 GLU C . 11264 1 1075 . 1 1 93 93 GLU CA C 13 56.195 0.300 . 1 . . . . 93 GLU CA . 11264 1 1076 . 1 1 93 93 GLU CB C 13 30.221 0.300 . 1 . . . . 93 GLU CB . 11264 1 1077 . 1 1 93 93 GLU CG C 13 36.924 0.300 . 1 . . . . 93 GLU CG . 11264 1 1078 . 1 1 93 93 GLU N N 15 116.554 0.300 . 1 . . . . 93 GLU N . 11264 1 1079 . 1 1 94 94 TRP H H 1 7.395 0.030 . 1 . . . . 94 TRP H . 11264 1 1080 . 1 1 94 94 TRP HA H 1 4.821 0.030 . 1 . . . . 94 TRP HA . 11264 1 1081 . 1 1 94 94 TRP HB2 H 1 3.137 0.030 . 2 . . . . 94 TRP HB2 . 11264 1 1082 . 1 1 94 94 TRP HB3 H 1 3.330 0.030 . 2 . . . . 94 TRP HB3 . 11264 1 1083 . 1 1 94 94 TRP HD1 H 1 6.901 0.030 . 1 . . . . 94 TRP HD1 . 11264 1 1084 . 1 1 94 94 TRP HE1 H 1 9.459 0.030 . 1 . . . . 94 TRP HE1 . 11264 1 1085 . 1 1 94 94 TRP HE3 H 1 6.980 0.030 . 1 . . . . 94 TRP HE3 . 11264 1 1086 . 1 1 94 94 TRP HH2 H 1 7.004 0.030 . 1 . . . . 94 TRP HH2 . 11264 1 1087 . 1 1 94 94 TRP HZ2 H 1 6.999 0.030 . 1 . . . . 94 TRP HZ2 . 11264 1 1088 . 1 1 94 94 TRP HZ3 H 1 7.633 0.030 . 1 . . . . 94 TRP HZ3 . 11264 1 1089 . 1 1 94 94 TRP C C 13 174.394 0.300 . 1 . . . . 94 TRP C . 11264 1 1090 . 1 1 94 94 TRP CA C 13 55.065 0.300 . 1 . . . . 94 TRP CA . 11264 1 1091 . 1 1 94 94 TRP CB C 13 29.686 0.300 . 1 . . . . 94 TRP CB . 11264 1 1092 . 1 1 94 94 TRP CD1 C 13 127.731 0.300 . 1 . . . . 94 TRP CD1 . 11264 1 1093 . 1 1 94 94 TRP CE3 C 13 120.932 0.300 . 1 . . . . 94 TRP CE3 . 11264 1 1094 . 1 1 94 94 TRP CH2 C 13 123.694 0.300 . 1 . . . . 94 TRP CH2 . 11264 1 1095 . 1 1 94 94 TRP CZ2 C 13 114.302 0.300 . 1 . . . . 94 TRP CZ2 . 11264 1 1096 . 1 1 94 94 TRP CZ3 C 13 120.932 0.300 . 1 . . . . 94 TRP CZ3 . 11264 1 1097 . 1 1 94 94 TRP N N 15 125.126 0.300 . 1 . . . . 94 TRP N . 11264 1 1098 . 1 1 94 94 TRP NE1 N 15 128.745 0.300 . 1 . . . . 94 TRP NE1 . 11264 1 1099 . 1 1 95 95 PRO HA H 1 4.418 0.030 . 1 . . . . 95 PRO HA . 11264 1 1100 . 1 1 95 95 PRO HB2 H 1 2.022 0.030 . 2 . . . . 95 PRO HB2 . 11264 1 1101 . 1 1 95 95 PRO HB3 H 1 1.771 0.030 . 2 . . . . 95 PRO HB3 . 11264 1 1102 . 1 1 95 95 PRO HD2 H 1 2.251 0.030 . 2 . . . . 95 PRO HD2 . 11264 1 1103 . 1 1 95 95 PRO HD3 H 1 3.726 0.030 . 2 . . . . 95 PRO HD3 . 11264 1 1104 . 1 1 95 95 PRO HG2 H 1 1.480 0.030 . 2 . . . . 95 PRO HG2 . 11264 1 1105 . 1 1 95 95 PRO HG3 H 1 1.643 0.030 . 2 . . . . 95 PRO HG3 . 11264 1 1106 . 1 1 95 95 PRO C C 13 177.204 0.300 . 1 . . . . 95 PRO C . 11264 1 1107 . 1 1 95 95 PRO CA C 13 61.913 0.300 . 1 . . . . 95 PRO CA . 11264 1 1108 . 1 1 95 95 PRO CB C 13 31.578 0.300 . 1 . . . . 95 PRO CB . 11264 1 1109 . 1 1 95 95 PRO CD C 13 50.742 0.300 . 1 . . . . 95 PRO CD . 11264 1 1110 . 1 1 95 95 PRO CG C 13 27.136 0.300 . 1 . . . . 95 PRO CG . 11264 1 1111 . 1 1 96 96 SER H H 1 8.458 0.030 . 1 . . . . 96 SER H . 11264 1 1112 . 1 1 96 96 SER HA H 1 4.257 0.030 . 1 . . . . 96 SER HA . 11264 1 1113 . 1 1 96 96 SER HB2 H 1 3.950 0.030 . 1 . . . . 96 SER HB2 . 11264 1 1114 . 1 1 96 96 SER HB3 H 1 3.950 0.030 . 1 . . . . 96 SER HB3 . 11264 1 1115 . 1 1 96 96 SER C C 13 175.671 0.300 . 1 . . . . 96 SER C . 11264 1 1116 . 1 1 96 96 SER CA C 13 60.836 0.300 . 1 . . . . 96 SER CA . 11264 1 1117 . 1 1 96 96 SER CB C 13 63.285 0.300 . 1 . . . . 96 SER CB . 11264 1 1118 . 1 1 96 96 SER N N 15 118.838 0.300 . 1 . . . . 96 SER N . 11264 1 1119 . 1 1 97 97 ASP H H 1 8.430 0.030 . 1 . . . . 97 ASP H . 11264 1 1120 . 1 1 97 97 ASP HA H 1 4.430 0.030 . 1 . . . . 97 ASP HA . 11264 1 1121 . 1 1 97 97 ASP HB2 H 1 2.541 0.030 . 2 . . . . 97 ASP HB2 . 11264 1 1122 . 1 1 97 97 ASP HB3 H 1 2.646 0.030 . 2 . . . . 97 ASP HB3 . 11264 1 1123 . 1 1 97 97 ASP C C 13 176.949 0.300 . 1 . . . . 97 ASP C . 11264 1 1124 . 1 1 97 97 ASP CA C 13 54.642 0.300 . 1 . . . . 97 ASP CA . 11264 1 1125 . 1 1 97 97 ASP CB C 13 39.926 0.300 . 1 . . . . 97 ASP CB . 11264 1 1126 . 1 1 97 97 ASP N N 15 118.110 0.300 . 1 . . . . 97 ASP N . 11264 1 1127 . 1 1 98 98 LYS H H 1 7.641 0.030 . 1 . . . . 98 LYS H . 11264 1 1128 . 1 1 98 98 LYS HA H 1 4.223 0.030 . 1 . . . . 98 LYS HA . 11264 1 1129 . 1 1 98 98 LYS HB2 H 1 1.161 0.030 . 2 . . . . 98 LYS HB2 . 11264 1 1130 . 1 1 98 98 LYS HB3 H 1 1.645 0.030 . 2 . . . . 98 LYS HB3 . 11264 1 1131 . 1 1 98 98 LYS HD2 H 1 1.134 0.030 . 1 . . . . 98 LYS HD2 . 11264 1 1132 . 1 1 98 98 LYS HD3 H 1 1.134 0.030 . 1 . . . . 98 LYS HD3 . 11264 1 1133 . 1 1 98 98 LYS HE2 H 1 2.729 0.030 . 1 . . . . 98 LYS HE2 . 11264 1 1134 . 1 1 98 98 LYS HE3 H 1 2.729 0.030 . 1 . . . . 98 LYS HE3 . 11264 1 1135 . 1 1 98 98 LYS HG2 H 1 1.108 0.030 . 1 . . . . 98 LYS HG2 . 11264 1 1136 . 1 1 98 98 LYS HG3 H 1 1.108 0.030 . 1 . . . . 98 LYS HG3 . 11264 1 1137 . 1 1 98 98 LYS C C 13 176.353 0.300 . 1 . . . . 98 LYS C . 11264 1 1138 . 1 1 98 98 LYS CA C 13 56.195 0.300 . 1 . . . . 98 LYS CA . 11264 1 1139 . 1 1 98 98 LYS CB C 13 32.812 0.300 . 1 . . . . 98 LYS CB . 11264 1 1140 . 1 1 98 98 LYS CD C 13 28.598 0.300 . 1 . . . . 98 LYS CD . 11264 1 1141 . 1 1 98 98 LYS CE C 13 41.941 0.300 . 1 . . . . 98 LYS CE . 11264 1 1142 . 1 1 98 98 LYS CG C 13 25.421 0.300 . 1 . . . . 98 LYS CG . 11264 1 1143 . 1 1 98 98 LYS N N 15 118.530 0.300 . 1 . . . . 98 LYS N . 11264 1 1144 . 1 1 99 99 GLY H H 1 7.647 0.030 . 1 . . . . 99 GLY H . 11264 1 1145 . 1 1 99 99 GLY HA2 H 1 4.783 0.030 . 2 . . . . 99 GLY HA2 . 11264 1 1146 . 1 1 99 99 GLY HA3 H 1 3.654 0.030 . 2 . . . . 99 GLY HA3 . 11264 1 1147 . 1 1 99 99 GLY C C 13 172.813 0.300 . 1 . . . . 99 GLY C . 11264 1 1148 . 1 1 99 99 GLY CA C 13 44.230 0.300 . 1 . . . . 99 GLY CA . 11264 1 1149 . 1 1 99 99 GLY N N 15 106.638 0.300 . 1 . . . . 99 GLY N . 11264 1 1150 . 1 1 100 100 ILE H H 1 8.469 0.030 . 1 . . . . 100 ILE H . 11264 1 1151 . 1 1 100 100 ILE HA H 1 4.265 0.030 . 1 . . . . 100 ILE HA . 11264 1 1152 . 1 1 100 100 ILE HB H 1 1.702 0.030 . 1 . . . . 100 ILE HB . 11264 1 1153 . 1 1 100 100 ILE HD11 H 1 0.835 0.030 . 1 . . . . 100 ILE HD1 . 11264 1 1154 . 1 1 100 100 ILE HD12 H 1 0.835 0.030 . 1 . . . . 100 ILE HD1 . 11264 1 1155 . 1 1 100 100 ILE HD13 H 1 0.835 0.030 . 1 . . . . 100 ILE HD1 . 11264 1 1156 . 1 1 100 100 ILE HG12 H 1 1.168 0.030 . 2 . . . . 100 ILE HG12 . 11264 1 1157 . 1 1 100 100 ILE HG13 H 1 1.489 0.030 . 2 . . . . 100 ILE HG13 . 11264 1 1158 . 1 1 100 100 ILE HG21 H 1 0.805 0.030 . 1 . . . . 100 ILE HG2 . 11264 1 1159 . 1 1 100 100 ILE HG22 H 1 0.805 0.030 . 1 . . . . 100 ILE HG2 . 11264 1 1160 . 1 1 100 100 ILE HG23 H 1 0.805 0.030 . 1 . . . . 100 ILE HG2 . 11264 1 1161 . 1 1 100 100 ILE C C 13 173.798 0.300 . 1 . . . . 100 ILE C . 11264 1 1162 . 1 1 100 100 ILE CA C 13 60.765 0.300 . 1 . . . . 100 ILE CA . 11264 1 1163 . 1 1 100 100 ILE CB C 13 40.049 0.300 . 1 . . . . 100 ILE CB . 11264 1 1164 . 1 1 100 100 ILE CD1 C 13 13.154 0.300 . 1 . . . . 100 ILE CD1 . 11264 1 1165 . 1 1 100 100 ILE CG1 C 13 27.712 0.300 . 1 . . . . 100 ILE CG1 . 11264 1 1166 . 1 1 100 100 ILE CG2 C 13 17.513 0.300 . 1 . . . . 100 ILE CG2 . 11264 1 1167 . 1 1 100 100 ILE N N 15 122.111 0.300 . 1 . . . . 100 ILE N . 11264 1 1168 . 1 1 101 101 LEU H H 1 7.915 0.030 . 1 . . . . 101 LEU H . 11264 1 1169 . 1 1 101 101 LEU HA H 1 4.556 0.030 . 1 . . . . 101 LEU HA . 11264 1 1170 . 1 1 101 101 LEU HB2 H 1 -0.044 0.030 . 2 . . . . 101 LEU HB2 . 11264 1 1171 . 1 1 101 101 LEU HB3 H 1 0.869 0.030 . 2 . . . . 101 LEU HB3 . 11264 1 1172 . 1 1 101 101 LEU HD11 H 1 -0.124 0.030 . 1 . . . . 101 LEU HD1 . 11264 1 1173 . 1 1 101 101 LEU HD12 H 1 -0.124 0.030 . 1 . . . . 101 LEU HD1 . 11264 1 1174 . 1 1 101 101 LEU HD13 H 1 -0.124 0.030 . 1 . . . . 101 LEU HD1 . 11264 1 1175 . 1 1 101 101 LEU HD21 H 1 0.059 0.030 . 1 . . . . 101 LEU HD2 . 11264 1 1176 . 1 1 101 101 LEU HD22 H 1 0.059 0.030 . 1 . . . . 101 LEU HD2 . 11264 1 1177 . 1 1 101 101 LEU HD23 H 1 0.059 0.030 . 1 . . . . 101 LEU HD2 . 11264 1 1178 . 1 1 101 101 LEU HG H 1 0.492 0.030 . 1 . . . . 101 LEU HG . 11264 1 1179 . 1 1 101 101 LEU C C 13 175.708 0.300 . 1 . . . . 101 LEU C . 11264 1 1180 . 1 1 101 101 LEU CA C 13 53.424 0.300 . 1 . . . . 101 LEU CA . 11264 1 1181 . 1 1 101 101 LEU CB C 13 43.144 0.300 . 1 . . . . 101 LEU CB . 11264 1 1182 . 1 1 101 101 LEU CD1 C 13 24.542 0.300 . 2 . . . . 101 LEU CD1 . 11264 1 1183 . 1 1 101 101 LEU CD2 C 13 25.369 0.300 . 2 . . . . 101 LEU CD2 . 11264 1 1184 . 1 1 101 101 LEU CG C 13 26.215 0.300 . 1 . . . . 101 LEU CG . 11264 1 1185 . 1 1 101 101 LEU N N 15 127.321 0.300 . 1 . . . . 101 LEU N . 11264 1 1186 . 1 1 102 102 VAL H H 1 8.626 0.030 . 1 . . . . 102 VAL H . 11264 1 1187 . 1 1 102 102 VAL HA H 1 4.316 0.030 . 1 . . . . 102 VAL HA . 11264 1 1188 . 1 1 102 102 VAL HB H 1 1.839 0.030 . 1 . . . . 102 VAL HB . 11264 1 1189 . 1 1 102 102 VAL HG11 H 1 0.646 0.030 . 1 . . . . 102 VAL HG1 . 11264 1 1190 . 1 1 102 102 VAL HG12 H 1 0.646 0.030 . 1 . . . . 102 VAL HG1 . 11264 1 1191 . 1 1 102 102 VAL HG13 H 1 0.646 0.030 . 1 . . . . 102 VAL HG1 . 11264 1 1192 . 1 1 102 102 VAL HG21 H 1 0.589 0.030 . 1 . . . . 102 VAL HG2 . 11264 1 1193 . 1 1 102 102 VAL HG22 H 1 0.589 0.030 . 1 . . . . 102 VAL HG2 . 11264 1 1194 . 1 1 102 102 VAL HG23 H 1 0.589 0.030 . 1 . . . . 102 VAL HG2 . 11264 1 1195 . 1 1 102 102 VAL C C 13 173.834 0.300 . 1 . . . . 102 VAL C . 11264 1 1196 . 1 1 102 102 VAL CA C 13 60.077 0.300 . 1 . . . . 102 VAL CA . 11264 1 1197 . 1 1 102 102 VAL CB C 13 35.361 0.300 . 1 . . . . 102 VAL CB . 11264 1 1198 . 1 1 102 102 VAL CG1 C 13 21.708 0.300 . 2 . . . . 102 VAL CG1 . 11264 1 1199 . 1 1 102 102 VAL CG2 C 13 20.430 0.300 . 2 . . . . 102 VAL CG2 . 11264 1 1200 . 1 1 102 102 VAL N N 15 123.708 0.300 . 1 . . . . 102 VAL N . 11264 1 1201 . 1 1 103 103 PHE H H 1 9.298 0.030 . 1 . . . . 103 PHE H . 11264 1 1202 . 1 1 103 103 PHE HA H 1 5.457 0.030 . 1 . . . . 103 PHE HA . 11264 1 1203 . 1 1 103 103 PHE HB2 H 1 3.179 0.030 . 2 . . . . 103 PHE HB2 . 11264 1 1204 . 1 1 103 103 PHE HB3 H 1 2.696 0.030 . 2 . . . . 103 PHE HB3 . 11264 1 1205 . 1 1 103 103 PHE HD1 H 1 7.167 0.030 . 1 . . . . 103 PHE HD1 . 11264 1 1206 . 1 1 103 103 PHE HD2 H 1 7.167 0.030 . 1 . . . . 103 PHE HD2 . 11264 1 1207 . 1 1 103 103 PHE HE1 H 1 7.071 0.030 . 1 . . . . 103 PHE HE1 . 11264 1 1208 . 1 1 103 103 PHE HE2 H 1 7.071 0.030 . 1 . . . . 103 PHE HE2 . 11264 1 1209 . 1 1 103 103 PHE HZ H 1 7.191 0.030 . 1 . . . . 103 PHE HZ . 11264 1 1210 . 1 1 103 103 PHE C C 13 175.344 0.300 . 1 . . . . 103 PHE C . 11264 1 1211 . 1 1 103 103 PHE CA C 13 56.901 0.300 . 1 . . . . 103 PHE CA . 11264 1 1212 . 1 1 103 103 PHE CB C 13 41.242 0.300 . 1 . . . . 103 PHE CB . 11264 1 1213 . 1 1 103 103 PHE CD1 C 13 131.832 0.300 . 1 . . . . 103 PHE CD1 . 11264 1 1214 . 1 1 103 103 PHE CD2 C 13 131.832 0.300 . 1 . . . . 103 PHE CD2 . 11264 1 1215 . 1 1 103 103 PHE CE1 C 13 130.227 0.300 . 1 . . . . 103 PHE CE1 . 11264 1 1216 . 1 1 103 103 PHE CE2 C 13 130.227 0.300 . 1 . . . . 103 PHE CE2 . 11264 1 1217 . 1 1 103 103 PHE CZ C 13 128.703 0.300 . 1 . . . . 103 PHE CZ . 11264 1 1218 . 1 1 103 103 PHE N N 15 122.425 0.300 . 1 . . . . 103 PHE N . 11264 1 1219 . 1 1 104 104 GLN H H 1 9.141 0.030 . 1 . . . . 104 GLN H . 11264 1 1220 . 1 1 104 104 GLN HA H 1 5.035 0.030 . 1 . . . . 104 GLN HA . 11264 1 1221 . 1 1 104 104 GLN HB2 H 1 1.497 0.030 . 2 . . . . 104 GLN HB2 . 11264 1 1222 . 1 1 104 104 GLN HB3 H 1 1.942 0.030 . 2 . . . . 104 GLN HB3 . 11264 1 1223 . 1 1 104 104 GLN HE21 H 1 6.674 0.030 . 2 . . . . 104 GLN HE21 . 11264 1 1224 . 1 1 104 104 GLN HE22 H 1 7.498 0.030 . 2 . . . . 104 GLN HE22 . 11264 1 1225 . 1 1 104 104 GLN HG2 H 1 2.011 0.030 . 2 . . . . 104 GLN HG2 . 11264 1 1226 . 1 1 104 104 GLN HG3 H 1 2.403 0.030 . 2 . . . . 104 GLN HG3 . 11264 1 1227 . 1 1 104 104 GLN C C 13 174.723 0.300 . 1 . . . . 104 GLN C . 11264 1 1228 . 1 1 104 104 GLN CA C 13 53.424 0.300 . 1 . . . . 104 GLN CA . 11264 1 1229 . 1 1 104 104 GLN CB C 13 31.125 0.300 . 1 . . . . 104 GLN CB . 11264 1 1230 . 1 1 104 104 GLN CG C 13 31.509 0.300 . 1 . . . . 104 GLN CG . 11264 1 1231 . 1 1 104 104 GLN N N 15 120.639 0.300 . 1 . . . . 104 GLN N . 11264 1 1232 . 1 1 104 104 GLN NE2 N 15 110.331 0.300 . 1 . . . . 104 GLN NE2 . 11264 1 1233 . 1 1 105 105 LEU H H 1 9.234 0.030 . 1 . . . . 105 LEU H . 11264 1 1234 . 1 1 105 105 LEU HA H 1 4.966 0.030 . 1 . . . . 105 LEU HA . 11264 1 1235 . 1 1 105 105 LEU HB2 H 1 1.721 0.030 . 2 . . . . 105 LEU HB2 . 11264 1 1236 . 1 1 105 105 LEU HB3 H 1 1.135 0.030 . 2 . . . . 105 LEU HB3 . 11264 1 1237 . 1 1 105 105 LEU HD11 H 1 0.915 0.030 . 1 . . . . 105 LEU HD1 . 11264 1 1238 . 1 1 105 105 LEU HD12 H 1 0.915 0.030 . 1 . . . . 105 LEU HD1 . 11264 1 1239 . 1 1 105 105 LEU HD13 H 1 0.915 0.030 . 1 . . . . 105 LEU HD1 . 11264 1 1240 . 1 1 105 105 LEU HD21 H 1 0.401 0.030 . 1 . . . . 105 LEU HD2 . 11264 1 1241 . 1 1 105 105 LEU HD22 H 1 0.401 0.030 . 1 . . . . 105 LEU HD2 . 11264 1 1242 . 1 1 105 105 LEU HD23 H 1 0.401 0.030 . 1 . . . . 105 LEU HD2 . 11264 1 1243 . 1 1 105 105 LEU HG H 1 1.298 0.030 . 1 . . . . 105 LEU HG . 11264 1 1244 . 1 1 105 105 LEU C C 13 175.501 0.300 . 1 . . . . 105 LEU C . 11264 1 1245 . 1 1 105 105 LEU CA C 13 54.342 0.300 . 1 . . . . 105 LEU CA . 11264 1 1246 . 1 1 105 105 LEU CB C 13 43.463 0.300 . 1 . . . . 105 LEU CB . 11264 1 1247 . 1 1 105 105 LEU CD1 C 13 23.764 0.300 . 2 . . . . 105 LEU CD1 . 11264 1 1248 . 1 1 105 105 LEU CD2 C 13 25.573 0.300 . 2 . . . . 105 LEU CD2 . 11264 1 1249 . 1 1 105 105 LEU CG C 13 27.301 0.300 . 1 . . . . 105 LEU CG . 11264 1 1250 . 1 1 105 105 LEU N N 15 125.663 0.300 . 1 . . . . 105 LEU N . 11264 1 1251 . 1 1 106 106 LYS H H 1 9.070 0.030 . 1 . . . . 106 LYS H . 11264 1 1252 . 1 1 106 106 LYS HA H 1 4.692 0.030 . 1 . . . . 106 LYS HA . 11264 1 1253 . 1 1 106 106 LYS HB2 H 1 1.497 0.030 . 2 . . . . 106 LYS HB2 . 11264 1 1254 . 1 1 106 106 LYS HB3 H 1 1.736 0.030 . 2 . . . . 106 LYS HB3 . 11264 1 1255 . 1 1 106 106 LYS HD2 H 1 1.333 0.030 . 2 . . . . 106 LYS HD2 . 11264 1 1256 . 1 1 106 106 LYS HD3 H 1 1.395 0.030 . 2 . . . . 106 LYS HD3 . 11264 1 1257 . 1 1 106 106 LYS HE2 H 1 2.695 0.030 . 1 . . . . 106 LYS HE2 . 11264 1 1258 . 1 1 106 106 LYS HE3 H 1 2.695 0.030 . 1 . . . . 106 LYS HE3 . 11264 1 1259 . 1 1 106 106 LYS HG2 H 1 1.166 0.030 . 1 . . . . 106 LYS HG2 . 11264 1 1260 . 1 1 106 106 LYS HG3 H 1 1.166 0.030 . 1 . . . . 106 LYS HG3 . 11264 1 1261 . 1 1 106 106 LYS C C 13 175.494 0.300 . 1 . . . . 106 LYS C . 11264 1 1262 . 1 1 106 106 LYS CA C 13 54.571 0.300 . 1 . . . . 106 LYS CA . 11264 1 1263 . 1 1 106 106 LYS CB C 13 36.225 0.300 . 1 . . . . 106 LYS CB . 11264 1 1264 . 1 1 106 106 LYS CD C 13 29.357 0.300 . 1 . . . . 106 LYS CD . 11264 1 1265 . 1 1 106 106 LYS CE C 13 41.201 0.300 . 1 . . . . 106 LYS CE . 11264 1 1266 . 1 1 106 106 LYS CG C 13 23.833 0.300 . 1 . . . . 106 LYS CG . 11264 1 1267 . 1 1 106 106 LYS N N 15 124.328 0.300 . 1 . . . . 106 LYS N . 11264 1 1268 . 1 1 107 107 ARG H H 1 8.692 0.030 . 1 . . . . 107 ARG H . 11264 1 1269 . 1 1 107 107 ARG HA H 1 3.855 0.030 . 1 . . . . 107 ARG HA . 11264 1 1270 . 1 1 107 107 ARG HB2 H 1 1.383 0.030 . 2 . . . . 107 ARG HB2 . 11264 1 1271 . 1 1 107 107 ARG HB3 H 1 1.554 0.030 . 2 . . . . 107 ARG HB3 . 11264 1 1272 . 1 1 107 107 ARG HD2 H 1 2.770 0.030 . 2 . . . . 107 ARG HD2 . 11264 1 1273 . 1 1 107 107 ARG HD3 H 1 2.870 0.030 . 2 . . . . 107 ARG HD3 . 11264 1 1274 . 1 1 107 107 ARG HG2 H 1 1.369 0.030 . 2 . . . . 107 ARG HG2 . 11264 1 1275 . 1 1 107 107 ARG HG3 H 1 1.263 0.030 . 2 . . . . 107 ARG HG3 . 11264 1 1276 . 1 1 107 107 ARG C C 13 176.535 0.300 . 1 . . . . 107 ARG C . 11264 1 1277 . 1 1 107 107 ARG CA C 13 56.195 0.300 . 1 . . . . 107 ARG CA . 11264 1 1278 . 1 1 107 107 ARG CB C 13 30.138 0.300 . 1 . . . . 107 ARG CB . 11264 1 1279 . 1 1 107 107 ARG CD C 13 42.435 0.300 . 1 . . . . 107 ARG CD . 11264 1 1280 . 1 1 107 107 ARG CG C 13 27.803 0.300 . 1 . . . . 107 ARG CG . 11264 1 1281 . 1 1 107 107 ARG N N 15 121.396 0.300 . 1 . . . . 107 ARG N . 11264 1 1282 . 1 1 108 108 ARG H H 1 8.344 0.030 . 1 . . . . 108 ARG H . 11264 1 1283 . 1 1 108 108 ARG HA H 1 4.317 0.030 . 1 . . . . 108 ARG HA . 11264 1 1284 . 1 1 108 108 ARG HB2 H 1 1.279 0.030 . 2 . . . . 108 ARG HB2 . 11264 1 1285 . 1 1 108 108 ARG HB3 H 1 1.579 0.030 . 2 . . . . 108 ARG HB3 . 11264 1 1286 . 1 1 108 108 ARG HD2 H 1 3.126 0.030 . 2 . . . . 108 ARG HD2 . 11264 1 1287 . 1 1 108 108 ARG HD3 H 1 3.314 0.030 . 2 . . . . 108 ARG HD3 . 11264 1 1288 . 1 1 108 108 ARG HE H 1 6.508 0.030 . 1 . . . . 108 ARG HE . 11264 1 1289 . 1 1 108 108 ARG HG2 H 1 1.199 0.030 . 2 . . . . 108 ARG HG2 . 11264 1 1290 . 1 1 108 108 ARG HG3 H 1 1.533 0.030 . 2 . . . . 108 ARG HG3 . 11264 1 1291 . 1 1 108 108 ARG C C 13 174.200 0.300 . 1 . . . . 108 ARG C . 11264 1 1292 . 1 1 108 108 ARG CA C 13 55.171 0.300 . 1 . . . . 108 ARG CA . 11264 1 1293 . 1 1 108 108 ARG CB C 13 30.042 0.300 . 1 . . . . 108 ARG CB . 11264 1 1294 . 1 1 108 108 ARG CD C 13 43.157 0.300 . 1 . . . . 108 ARG CD . 11264 1 1295 . 1 1 108 108 ARG CG C 13 28.598 0.300 . 1 . . . . 108 ARG CG . 11264 1 1296 . 1 1 108 108 ARG N N 15 126.195 0.300 . 1 . . . . 108 ARG N . 11264 1 1297 . 1 1 108 108 ARG NE N 15 84.699 0.300 . 1 . . . . 108 ARG NE . 11264 1 1298 . 1 1 109 109 PRO HA H 1 4.447 0.030 . 1 . . . . 109 PRO HA . 11264 1 1299 . 1 1 109 109 PRO HB2 H 1 1.954 0.030 . 2 . . . . 109 PRO HB2 . 11264 1 1300 . 1 1 109 109 PRO HB3 H 1 2.277 0.030 . 2 . . . . 109 PRO HB3 . 11264 1 1301 . 1 1 109 109 PRO HD2 H 1 3.771 0.030 . 2 . . . . 109 PRO HD2 . 11264 1 1302 . 1 1 109 109 PRO HD3 H 1 3.541 0.030 . 2 . . . . 109 PRO HD3 . 11264 1 1303 . 1 1 109 109 PRO CA C 13 63.275 0.300 . 1 . . . . 109 PRO CA . 11264 1 1304 . 1 1 109 109 PRO CD C 13 50.534 0.300 . 1 . . . . 109 PRO CD . 11264 1 1305 . 1 1 110 110 PRO HA H 1 4.393 0.030 . 1 . . . . 110 PRO HA . 11264 1 1306 . 1 1 110 110 PRO HB2 H 1 1.888 0.030 . 2 . . . . 110 PRO HB2 . 11264 1 1307 . 1 1 110 110 PRO HB3 H 1 2.254 0.030 . 2 . . . . 110 PRO HB3 . 11264 1 1308 . 1 1 110 110 PRO HD2 H 1 3.742 0.030 . 2 . . . . 110 PRO HD2 . 11264 1 1309 . 1 1 110 110 PRO HD3 H 1 3.564 0.030 . 2 . . . . 110 PRO HD3 . 11264 1 1310 . 1 1 110 110 PRO CA C 13 62.722 0.300 . 1 . . . . 110 PRO CA . 11264 1 1311 . 1 1 110 110 PRO CB C 13 32.039 0.300 . 1 . . . . 110 PRO CB . 11264 1 1312 . 1 1 110 110 PRO CD C 13 50.040 0.300 . 1 . . . . 110 PRO CD . 11264 1 stop_ save_