data_11468 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11468 _Entry.Title ; Solution STRUCTURE OF THE BOMBYX MORI LYSOZYME ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-19 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date 2013-01-03 _Entry.Original_release_date 2013-01-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Manami Sato . . . 11468 2 Naoya Tochio . . . 11468 3 Tomoyasu Aizawa . . . 11468 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' . 11468 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LYSOZYME . 11468 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11468 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 536 11468 '15N chemical shifts' 139 11468 '1H chemical shifts' 812 11468 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 . . 2013-01-03 2011-12-19 original author . 11468 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSC 'BMRB Entry Tracking System' 11468 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11468 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the Bombyx Mori LYSOZYME' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Manami Sato . . . 11468 1 2 Naoya Tochio . . . 11468 1 3 Satoru Watanabe . . . 11468 1 4 Takanori Kigawa . . . 11468 1 5 Tomoyasu Aizawa . . . 11468 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11468 _Assembly.ID 1 _Assembly.Name 'THE BOMBYX MORI LYSOZYME' _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 'THE BOMBYX MORI LYSOZYME' 1 $entity A . yes native no no . . . 11468 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11468 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'THE BOMBYX MORI LYSOZYME' _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 ; GKTFTRCGLVHELRKHGFEE NLMRNWVCLVEHESSRDTSK TNTNRNGSKDYGLFQINDRY WCSKGASPGKDCNVKCSDLL TDDITKAAKCAKKIYKRHRF DAWYGWKNHCQGSLPDISSC ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13834.732 _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 1GD6 . "Structure Of The Bombyx Mori Lysozyme" . . . . . 99.17 119 100.00 100.00 3.51e-82 . . . . 11468 1 2 no PDB 2RSC . "Solution Structure Of The Bombyx Mori Lysozyme" . . . . . 100.00 120 100.00 100.00 4.65e-83 . . . . 11468 1 3 no GB AAB40947 . "lysozyme [Bombyx mori]" . . . . . 100.00 137 99.17 99.17 9.41e-83 . . . . 11468 1 4 no REF NP_001037448 . "lysozyme precursor [Bombyx mori]" . . . . . 100.00 137 99.17 99.17 9.41e-83 . . . . 11468 1 5 no SP P48816 . "RecName: Full=Lysozyme; AltName: Full=1,4-beta-N-acetylmuramidase; Flags: Precursor" . . . . . 100.00 137 99.17 99.17 9.41e-83 . . . . 11468 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 . 11468 1 2 . LYS . 11468 1 3 . THR . 11468 1 4 . PHE . 11468 1 5 . THR . 11468 1 6 . ARG . 11468 1 7 . CYS . 11468 1 8 . GLY . 11468 1 9 . LEU . 11468 1 10 . VAL . 11468 1 11 . HIS . 11468 1 12 . GLU . 11468 1 13 . LEU . 11468 1 14 . ARG . 11468 1 15 . LYS . 11468 1 16 . HIS . 11468 1 17 . GLY . 11468 1 18 . PHE . 11468 1 19 . GLU . 11468 1 20 . GLU . 11468 1 21 . ASN . 11468 1 22 . LEU . 11468 1 23 . MET . 11468 1 24 . ARG . 11468 1 25 . ASN . 11468 1 26 . TRP . 11468 1 27 . VAL . 11468 1 28 . CYS . 11468 1 29 . LEU . 11468 1 30 . VAL . 11468 1 31 . GLU . 11468 1 32 . HIS . 11468 1 33 . GLU . 11468 1 34 . SER . 11468 1 35 . SER . 11468 1 36 . ARG . 11468 1 37 . ASP . 11468 1 38 . THR . 11468 1 39 . SER . 11468 1 40 . LYS . 11468 1 41 . THR . 11468 1 42 . ASN . 11468 1 43 . THR . 11468 1 44 . ASN . 11468 1 45 . ARG . 11468 1 46 . ASN . 11468 1 47 . GLY . 11468 1 48 . SER . 11468 1 49 . LYS . 11468 1 50 . ASP . 11468 1 51 . TYR . 11468 1 52 . GLY . 11468 1 53 . LEU . 11468 1 54 . PHE . 11468 1 55 . GLN . 11468 1 56 . ILE . 11468 1 57 . ASN . 11468 1 58 . ASP . 11468 1 59 . ARG . 11468 1 60 . TYR . 11468 1 61 . TRP . 11468 1 62 . CYS . 11468 1 63 . SER . 11468 1 64 . LYS . 11468 1 65 . GLY . 11468 1 66 . ALA . 11468 1 67 . SER . 11468 1 68 . PRO . 11468 1 69 . GLY . 11468 1 70 . LYS . 11468 1 71 . ASP . 11468 1 72 . CYS . 11468 1 73 . ASN . 11468 1 74 . VAL . 11468 1 75 . LYS . 11468 1 76 . CYS . 11468 1 77 . SER . 11468 1 78 . ASP . 11468 1 79 . LEU . 11468 1 80 . LEU . 11468 1 81 . THR . 11468 1 82 . ASP . 11468 1 83 . ASP . 11468 1 84 . ILE . 11468 1 85 . THR . 11468 1 86 . LYS . 11468 1 87 . ALA . 11468 1 88 . ALA . 11468 1 89 . LYS . 11468 1 90 . CYS . 11468 1 91 . ALA . 11468 1 92 . LYS . 11468 1 93 . LYS . 11468 1 94 . ILE . 11468 1 95 . TYR . 11468 1 96 . LYS . 11468 1 97 . ARG . 11468 1 98 . HIS . 11468 1 99 . ARG . 11468 1 100 . PHE . 11468 1 101 . ASP . 11468 1 102 . ALA . 11468 1 103 . TRP . 11468 1 104 . TYR . 11468 1 105 . GLY . 11468 1 106 . TRP . 11468 1 107 . LYS . 11468 1 108 . ASN . 11468 1 109 . HIS . 11468 1 110 . CYS . 11468 1 111 . GLN . 11468 1 112 . GLY . 11468 1 113 . SER . 11468 1 114 . LEU . 11468 1 115 . PRO . 11468 1 116 . ASP . 11468 1 117 . ILE . 11468 1 118 . SER . 11468 1 119 . SER . 11468 1 120 . CYS . 11468 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 11468 1 . LYS 2 2 11468 1 . THR 3 3 11468 1 . PHE 4 4 11468 1 . THR 5 5 11468 1 . ARG 6 6 11468 1 . CYS 7 7 11468 1 . GLY 8 8 11468 1 . LEU 9 9 11468 1 . VAL 10 10 11468 1 . HIS 11 11 11468 1 . GLU 12 12 11468 1 . LEU 13 13 11468 1 . ARG 14 14 11468 1 . LYS 15 15 11468 1 . HIS 16 16 11468 1 . GLY 17 17 11468 1 . PHE 18 18 11468 1 . GLU 19 19 11468 1 . GLU 20 20 11468 1 . ASN 21 21 11468 1 . LEU 22 22 11468 1 . MET 23 23 11468 1 . ARG 24 24 11468 1 . ASN 25 25 11468 1 . TRP 26 26 11468 1 . VAL 27 27 11468 1 . CYS 28 28 11468 1 . LEU 29 29 11468 1 . VAL 30 30 11468 1 . GLU 31 31 11468 1 . HIS 32 32 11468 1 . GLU 33 33 11468 1 . SER 34 34 11468 1 . SER 35 35 11468 1 . ARG 36 36 11468 1 . ASP 37 37 11468 1 . THR 38 38 11468 1 . SER 39 39 11468 1 . LYS 40 40 11468 1 . THR 41 41 11468 1 . ASN 42 42 11468 1 . THR 43 43 11468 1 . ASN 44 44 11468 1 . ARG 45 45 11468 1 . ASN 46 46 11468 1 . GLY 47 47 11468 1 . SER 48 48 11468 1 . LYS 49 49 11468 1 . ASP 50 50 11468 1 . TYR 51 51 11468 1 . GLY 52 52 11468 1 . LEU 53 53 11468 1 . PHE 54 54 11468 1 . GLN 55 55 11468 1 . ILE 56 56 11468 1 . ASN 57 57 11468 1 . ASP 58 58 11468 1 . ARG 59 59 11468 1 . TYR 60 60 11468 1 . TRP 61 61 11468 1 . CYS 62 62 11468 1 . SER 63 63 11468 1 . LYS 64 64 11468 1 . GLY 65 65 11468 1 . ALA 66 66 11468 1 . SER 67 67 11468 1 . PRO 68 68 11468 1 . GLY 69 69 11468 1 . LYS 70 70 11468 1 . ASP 71 71 11468 1 . CYS 72 72 11468 1 . ASN 73 73 11468 1 . VAL 74 74 11468 1 . LYS 75 75 11468 1 . CYS 76 76 11468 1 . SER 77 77 11468 1 . ASP 78 78 11468 1 . LEU 79 79 11468 1 . LEU 80 80 11468 1 . THR 81 81 11468 1 . ASP 82 82 11468 1 . ASP 83 83 11468 1 . ILE 84 84 11468 1 . THR 85 85 11468 1 . LYS 86 86 11468 1 . ALA 87 87 11468 1 . ALA 88 88 11468 1 . LYS 89 89 11468 1 . CYS 90 90 11468 1 . ALA 91 91 11468 1 . LYS 92 92 11468 1 . LYS 93 93 11468 1 . ILE 94 94 11468 1 . TYR 95 95 11468 1 . LYS 96 96 11468 1 . ARG 97 97 11468 1 . HIS 98 98 11468 1 . ARG 99 99 11468 1 . PHE 100 100 11468 1 . ASP 101 101 11468 1 . ALA 102 102 11468 1 . TRP 103 103 11468 1 . TYR 104 104 11468 1 . GLY 105 105 11468 1 . TRP 106 106 11468 1 . LYS 107 107 11468 1 . ASN 108 108 11468 1 . HIS 109 109 11468 1 . CYS 110 110 11468 1 . GLN 111 111 11468 1 . GLY 112 112 11468 1 . SER 113 113 11468 1 . LEU 114 114 11468 1 . PRO 115 115 11468 1 . ASP 116 116 11468 1 . ILE 117 117 11468 1 . SER 118 118 11468 1 . SER 119 119 11468 1 . CYS 120 120 11468 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 11468 _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 . 7091 organism . 'Bombyx mori' 'domestic silkworm' . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . . . . . . . . . . . 11468 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 11468 _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 . 'cell free synthesis' 'E. coli - cell free' E-coli . 562 Escherichia coli . . . . . . . . . . . . . . . . P101129-01 . . . . . . 11468 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11468 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 11468 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11468 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11468 1 4 H2O . . . . . . solvent 90 . . % . . . . 11468 1 5 D2O . . . . . . solvent 10 . . % . . . . 11468 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11468 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11468 1 pH 3.8 . pH 11468 1 pressure 1 . atm 11468 1 temperature 298 . K 11468 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11468 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11468 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11468 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11468 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11468 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11468 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11468 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11468 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11468 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11468 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11468 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11468 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11468 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11468 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11468 5 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11468 _Software.ID 6 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11468 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11468 6 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 11468 _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 11468 _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 . . . 11468 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 11468 _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 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11468 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11468 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11468 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 water protons . . . . ppm 4.76 internal indirect 0.251449530 . . . . . . . . . 11468 1 H 1 water protons . . . . ppm 4.76 internal direct 1 . . . . . . . . . 11468 1 N 15 water protons . . . . ppm 4.76 internal indirect 0.101329118 . . . . . . . . . 11468 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11468 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-13C NOESY' . . . 11468 1 2 '3D 1H-15N NOESY' . . . 11468 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 1 1 GLY HA2 H 1 3.826 0.030 . 2 . . . A 1 GLY HA2 . 11468 1 2 . 1 1 1 1 GLY HA3 H 1 3.725 0.030 . 2 . . . A 1 GLY HA3 . 11468 1 3 . 1 1 1 1 GLY C C 13 169.442 0.030 . 1 . . . A 1 GLY C . 11468 1 4 . 1 1 1 1 GLY CA C 13 43.694 0.030 . 1 . . . A 1 GLY CA . 11468 1 5 . 1 1 2 2 LYS H H 1 8.242 0.030 . 1 . . . A 2 LYS H . 11468 1 6 . 1 1 2 2 LYS HA H 1 4.379 0.030 . 1 . . . A 2 LYS HA . 11468 1 7 . 1 1 2 2 LYS HB2 H 1 1.501 0.030 . 2 . . . A 2 LYS HB2 . 11468 1 8 . 1 1 2 2 LYS HB3 H 1 1.458 0.030 . 2 . . . A 2 LYS HB3 . 11468 1 9 . 1 1 2 2 LYS HG2 H 1 0.770 0.030 . 1 . . . A 2 LYS HG2 . 11468 1 10 . 1 1 2 2 LYS HG3 H 1 0.770 0.030 . 1 . . . A 2 LYS HG3 . 11468 1 11 . 1 1 2 2 LYS HD2 H 1 1.356 0.030 . 1 . . . A 2 LYS HD2 . 11468 1 12 . 1 1 2 2 LYS HD3 H 1 1.356 0.030 . 1 . . . A 2 LYS HD3 . 11468 1 13 . 1 1 2 2 LYS HE2 H 1 2.540 0.030 . 2 . . . A 2 LYS HE2 . 11468 1 14 . 1 1 2 2 LYS HE3 H 1 2.370 0.030 . 2 . . . A 2 LYS HE3 . 11468 1 15 . 1 1 2 2 LYS C C 13 174.381 0.030 . 1 . . . A 2 LYS C . 11468 1 16 . 1 1 2 2 LYS CA C 13 55.649 0.030 . 1 . . . A 2 LYS CA . 11468 1 17 . 1 1 2 2 LYS CB C 13 34.080 0.030 . 1 . . . A 2 LYS CB . 11468 1 18 . 1 1 2 2 LYS CG C 13 24.015 0.030 . 1 . . . A 2 LYS CG . 11468 1 19 . 1 1 2 2 LYS CD C 13 29.213 0.030 . 1 . . . A 2 LYS CD . 11468 1 20 . 1 1 2 2 LYS CE C 13 41.900 0.030 . 1 . . . A 2 LYS CE . 11468 1 21 . 1 1 2 2 LYS N N 15 122.297 0.030 . 1 . . . A 2 LYS N . 11468 1 22 . 1 1 3 3 THR H H 1 8.257 0.030 . 1 . . . A 3 THR H . 11468 1 23 . 1 1 3 3 THR HA H 1 5.166 0.030 . 1 . . . A 3 THR HA . 11468 1 24 . 1 1 3 3 THR HB H 1 3.909 0.030 . 1 . . . A 3 THR HB . 11468 1 25 . 1 1 3 3 THR HG21 H 1 1.114 0.030 . 1 . . . A 3 THR HG21 . 11468 1 26 . 1 1 3 3 THR HG22 H 1 1.114 0.030 . 1 . . . A 3 THR HG22 . 11468 1 27 . 1 1 3 3 THR HG23 H 1 1.114 0.030 . 1 . . . A 3 THR HG23 . 11468 1 28 . 1 1 3 3 THR C C 13 175.203 0.030 . 1 . . . A 3 THR C . 11468 1 29 . 1 1 3 3 THR CA C 13 60.455 0.030 . 1 . . . A 3 THR CA . 11468 1 30 . 1 1 3 3 THR CB C 13 70.058 0.030 . 1 . . . A 3 THR CB . 11468 1 31 . 1 1 3 3 THR CG2 C 13 21.301 0.030 . 1 . . . A 3 THR CG2 . 11468 1 32 . 1 1 3 3 THR N N 15 118.551 0.030 . 1 . . . A 3 THR N . 11468 1 33 . 1 1 4 4 PHE H H 1 8.375 0.030 . 1 . . . A 4 PHE H . 11468 1 34 . 1 1 4 4 PHE HA H 1 4.820 0.030 . 1 . . . A 4 PHE HA . 11468 1 35 . 1 1 4 4 PHE HB2 H 1 3.580 0.030 . 2 . . . A 4 PHE HB2 . 11468 1 36 . 1 1 4 4 PHE HB3 H 1 2.557 0.030 . 2 . . . A 4 PHE HB3 . 11468 1 37 . 1 1 4 4 PHE HD1 H 1 7.165 0.030 . 1 . . . A 4 PHE HD1 . 11468 1 38 . 1 1 4 4 PHE HD2 H 1 7.165 0.030 . 1 . . . A 4 PHE HD2 . 11468 1 39 . 1 1 4 4 PHE HE1 H 1 7.324 0.030 . 1 . . . A 4 PHE HE1 . 11468 1 40 . 1 1 4 4 PHE HE2 H 1 7.324 0.030 . 1 . . . A 4 PHE HE2 . 11468 1 41 . 1 1 4 4 PHE C C 13 178.266 0.030 . 1 . . . A 4 PHE C . 11468 1 42 . 1 1 4 4 PHE CA C 13 58.138 0.030 . 1 . . . A 4 PHE CA . 11468 1 43 . 1 1 4 4 PHE CB C 13 42.909 0.030 . 1 . . . A 4 PHE CB . 11468 1 44 . 1 1 4 4 PHE CD1 C 13 131.350 0.030 . 1 . . . A 4 PHE CD1 . 11468 1 45 . 1 1 4 4 PHE CD2 C 13 131.350 0.030 . 1 . . . A 4 PHE CD2 . 11468 1 46 . 1 1 4 4 PHE CE1 C 13 129.492 0.030 . 1 . . . A 4 PHE CE1 . 11468 1 47 . 1 1 4 4 PHE CE2 C 13 129.492 0.030 . 1 . . . A 4 PHE CE2 . 11468 1 48 . 1 1 4 4 PHE CZ C 13 129.486 0.030 . 1 . . . A 4 PHE CZ . 11468 1 49 . 1 1 4 4 PHE N N 15 124.011 0.030 . 1 . . . A 4 PHE N . 11468 1 50 . 1 1 5 5 THR H H 1 8.590 0.030 . 1 . . . A 5 THR H . 11468 1 51 . 1 1 5 5 THR HA H 1 4.409 0.030 . 1 . . . A 5 THR HA . 11468 1 52 . 1 1 5 5 THR HB H 1 4.697 0.030 . 1 . . . A 5 THR HB . 11468 1 53 . 1 1 5 5 THR HG21 H 1 1.386 0.030 . 1 . . . A 5 THR HG21 . 11468 1 54 . 1 1 5 5 THR HG22 H 1 1.386 0.030 . 1 . . . A 5 THR HG22 . 11468 1 55 . 1 1 5 5 THR HG23 H 1 1.386 0.030 . 1 . . . A 5 THR HG23 . 11468 1 56 . 1 1 5 5 THR C C 13 175.521 0.030 . 1 . . . A 5 THR C . 11468 1 57 . 1 1 5 5 THR CA C 13 60.922 0.030 . 1 . . . A 5 THR CA . 11468 1 58 . 1 1 5 5 THR CB C 13 70.555 0.030 . 1 . . . A 5 THR CB . 11468 1 59 . 1 1 5 5 THR CG2 C 13 22.105 0.030 . 1 . . . A 5 THR CG2 . 11468 1 60 . 1 1 5 5 THR N N 15 112.355 0.030 . 1 . . . A 5 THR N . 11468 1 61 . 1 1 6 6 ARG H H 1 9.281 0.030 . 1 . . . A 6 ARG H . 11468 1 62 . 1 1 6 6 ARG HA H 1 3.670 0.030 . 1 . . . A 6 ARG HA . 11468 1 63 . 1 1 6 6 ARG HB2 H 1 2.033 0.030 . 2 . . . A 6 ARG HB2 . 11468 1 64 . 1 1 6 6 ARG HB3 H 1 1.813 0.030 . 2 . . . A 6 ARG HB3 . 11468 1 65 . 1 1 6 6 ARG HG2 H 1 1.411 0.030 . 1 . . . A 6 ARG HG2 . 11468 1 66 . 1 1 6 6 ARG HG3 H 1 1.411 0.030 . 1 . . . A 6 ARG HG3 . 11468 1 67 . 1 1 6 6 ARG HD2 H 1 3.177 0.030 . 2 . . . A 6 ARG HD2 . 11468 1 68 . 1 1 6 6 ARG HD3 H 1 2.958 0.030 . 2 . . . A 6 ARG HD3 . 11468 1 69 . 1 1 6 6 ARG HE H 1 9.426 0.030 . 1 . . . A 6 ARG HE . 11468 1 70 . 1 1 6 6 ARG C C 13 178.152 0.030 . 1 . . . A 6 ARG C . 11468 1 71 . 1 1 6 6 ARG CA C 13 62.258 0.030 . 1 . . . A 6 ARG CA . 11468 1 72 . 1 1 6 6 ARG CB C 13 29.749 0.030 . 1 . . . A 6 ARG CB . 11468 1 73 . 1 1 6 6 ARG CG C 13 26.109 0.030 . 1 . . . A 6 ARG CG . 11468 1 74 . 1 1 6 6 ARG CD C 13 43.308 0.030 . 1 . . . A 6 ARG CD . 11468 1 75 . 1 1 6 6 ARG N N 15 122.508 0.030 . 1 . . . A 6 ARG N . 11468 1 76 . 1 1 6 6 ARG NE N 15 84.672 0.030 . 1 . . . A 6 ARG NE . 11468 1 77 . 1 1 7 7 CYS H H 1 9.152 0.030 . 1 . . . A 7 CYS H . 11468 1 78 . 1 1 7 7 CYS HA H 1 4.620 0.030 . 1 . . . A 7 CYS HA . 11468 1 79 . 1 1 7 7 CYS HB2 H 1 2.743 0.030 . 2 . . . A 7 CYS HB2 . 11468 1 80 . 1 1 7 7 CYS HB3 H 1 2.691 0.030 . 2 . . . A 7 CYS HB3 . 11468 1 81 . 1 1 7 7 CYS C C 13 178.151 0.030 . 1 . . . A 7 CYS C . 11468 1 82 . 1 1 7 7 CYS CA C 13 53.896 0.030 . 1 . . . A 7 CYS CA . 11468 1 83 . 1 1 7 7 CYS CB C 13 32.815 0.030 . 1 . . . A 7 CYS CB . 11468 1 84 . 1 1 7 7 CYS N N 15 112.892 0.030 . 1 . . . A 7 CYS N . 11468 1 85 . 1 1 8 8 GLY H H 1 8.652 0.030 . 1 . . . A 8 GLY H . 11468 1 86 . 1 1 8 8 GLY HA2 H 1 4.302 0.030 . 2 . . . A 8 GLY HA2 . 11468 1 87 . 1 1 8 8 GLY HA3 H 1 3.790 0.030 . 2 . . . A 8 GLY HA3 . 11468 1 88 . 1 1 8 8 GLY C C 13 177.069 0.030 . 1 . . . A 8 GLY C . 11468 1 89 . 1 1 8 8 GLY CA C 13 47.124 0.030 . 1 . . . A 8 GLY CA . 11468 1 90 . 1 1 8 8 GLY N N 15 112.710 0.030 . 1 . . . A 8 GLY N . 11468 1 91 . 1 1 9 9 LEU H H 1 8.492 0.030 . 1 . . . A 9 LEU H . 11468 1 92 . 1 1 9 9 LEU HA H 1 3.391 0.030 . 1 . . . A 9 LEU HA . 11468 1 93 . 1 1 9 9 LEU HB2 H 1 2.366 0.030 . 2 . . . A 9 LEU HB2 . 11468 1 94 . 1 1 9 9 LEU HB3 H 1 1.197 0.030 . 2 . . . A 9 LEU HB3 . 11468 1 95 . 1 1 9 9 LEU HG H 1 1.214 0.030 . 1 . . . A 9 LEU HG . 11468 1 96 . 1 1 9 9 LEU HD11 H 1 0.341 0.030 . 1 . . . A 9 LEU HD11 . 11468 1 97 . 1 1 9 9 LEU HD12 H 1 0.341 0.030 . 1 . . . A 9 LEU HD12 . 11468 1 98 . 1 1 9 9 LEU HD13 H 1 0.341 0.030 . 1 . . . A 9 LEU HD13 . 11468 1 99 . 1 1 9 9 LEU HD21 H 1 0.787 0.030 . 1 . . . A 9 LEU HD21 . 11468 1 100 . 1 1 9 9 LEU HD22 H 1 0.787 0.030 . 1 . . . A 9 LEU HD22 . 11468 1 101 . 1 1 9 9 LEU HD23 H 1 0.787 0.030 . 1 . . . A 9 LEU HD23 . 11468 1 102 . 1 1 9 9 LEU C C 13 177.409 0.030 . 1 . . . A 9 LEU C . 11468 1 103 . 1 1 9 9 LEU CA C 13 57.697 0.030 . 1 . . . A 9 LEU CA . 11468 1 104 . 1 1 9 9 LEU CB C 13 41.415 0.030 . 1 . . . A 9 LEU CB . 11468 1 105 . 1 1 9 9 LEU CG C 13 26.716 0.030 . 1 . . . A 9 LEU CG . 11468 1 106 . 1 1 9 9 LEU CD1 C 13 23.669 0.030 . 2 . . . A 9 LEU CD1 . 11468 1 107 . 1 1 9 9 LEU CD2 C 13 27.670 0.030 . 2 . . . A 9 LEU CD2 . 11468 1 108 . 1 1 9 9 LEU N N 15 123.516 0.030 . 1 . . . A 9 LEU N . 11468 1 109 . 1 1 10 10 VAL H H 1 7.852 0.030 . 1 . . . A 10 VAL H . 11468 1 110 . 1 1 10 10 VAL HA H 1 3.406 0.030 . 1 . . . A 10 VAL HA . 11468 1 111 . 1 1 10 10 VAL HB H 1 2.172 0.030 . 1 . . . A 10 VAL HB . 11468 1 112 . 1 1 10 10 VAL HG11 H 1 1.032 0.030 . 1 . . . A 10 VAL HG11 . 11468 1 113 . 1 1 10 10 VAL HG12 H 1 1.032 0.030 . 1 . . . A 10 VAL HG12 . 11468 1 114 . 1 1 10 10 VAL HG13 H 1 1.032 0.030 . 1 . . . A 10 VAL HG13 . 11468 1 115 . 1 1 10 10 VAL HG21 H 1 0.870 0.030 . 1 . . . A 10 VAL HG21 . 11468 1 116 . 1 1 10 10 VAL HG22 H 1 0.870 0.030 . 1 . . . A 10 VAL HG22 . 11468 1 117 . 1 1 10 10 VAL HG23 H 1 0.870 0.030 . 1 . . . A 10 VAL HG23 . 11468 1 118 . 1 1 10 10 VAL C C 13 177.593 0.030 . 1 . . . A 10 VAL C . 11468 1 119 . 1 1 10 10 VAL CA C 13 66.908 0.030 . 1 . . . A 10 VAL CA . 11468 1 120 . 1 1 10 10 VAL CB C 13 31.584 0.030 . 1 . . . A 10 VAL CB . 11468 1 121 . 1 1 10 10 VAL CG1 C 13 24.975 0.030 . 2 . . . A 10 VAL CG1 . 11468 1 122 . 1 1 10 10 VAL CG2 C 13 20.950 0.030 . 2 . . . A 10 VAL CG2 . 11468 1 123 . 1 1 10 10 VAL N N 15 119.345 0.030 . 1 . . . A 10 VAL N . 11468 1 124 . 1 1 11 11 HIS H H 1 8.316 0.030 . 1 . . . A 11 HIS H . 11468 1 125 . 1 1 11 11 HIS HA H 1 4.354 0.030 . 1 . . . A 11 HIS HA . 11468 1 126 . 1 1 11 11 HIS HB2 H 1 3.383 0.030 . 1 . . . A 11 HIS HB2 . 11468 1 127 . 1 1 11 11 HIS HB3 H 1 3.383 0.030 . 1 . . . A 11 HIS HB3 . 11468 1 128 . 1 1 11 11 HIS HD2 H 1 7.052 0.030 . 1 . . . A 11 HIS HD2 . 11468 1 129 . 1 1 11 11 HIS HE1 H 1 8.647 0.030 . 1 . . . A 11 HIS HE1 . 11468 1 130 . 1 1 11 11 HIS C C 13 177.302 0.030 . 1 . . . A 11 HIS C . 11468 1 131 . 1 1 11 11 HIS CA C 13 58.059 0.030 . 1 . . . A 11 HIS CA . 11468 1 132 . 1 1 11 11 HIS CB C 13 28.201 0.030 . 1 . . . A 11 HIS CB . 11468 1 133 . 1 1 11 11 HIS CD2 C 13 118.863 0.030 . 1 . . . A 11 HIS CD2 . 11468 1 134 . 1 1 11 11 HIS CE1 C 13 136.257 0.030 . 1 . . . A 11 HIS CE1 . 11468 1 135 . 1 1 11 11 HIS N N 15 115.678 0.030 . 1 . . . A 11 HIS N . 11468 1 136 . 1 1 12 12 GLU H H 1 7.894 0.030 . 1 . . . A 12 GLU H . 11468 1 137 . 1 1 12 12 GLU HA H 1 4.108 0.030 . 1 . . . A 12 GLU HA . 11468 1 138 . 1 1 12 12 GLU HB2 H 1 1.919 0.030 . 2 . . . A 12 GLU HB2 . 11468 1 139 . 1 1 12 12 GLU HB3 H 1 1.649 0.030 . 2 . . . A 12 GLU HB3 . 11468 1 140 . 1 1 12 12 GLU HG2 H 1 2.329 0.030 . 2 . . . A 12 GLU HG2 . 11468 1 141 . 1 1 12 12 GLU HG3 H 1 2.004 0.030 . 2 . . . A 12 GLU HG3 . 11468 1 142 . 1 1 12 12 GLU C C 13 179.891 0.030 . 1 . . . A 12 GLU C . 11468 1 143 . 1 1 12 12 GLU CA C 13 59.041 0.030 . 1 . . . A 12 GLU CA . 11468 1 144 . 1 1 12 12 GLU CB C 13 29.355 0.030 . 1 . . . A 12 GLU CB . 11468 1 145 . 1 1 12 12 GLU CG C 13 35.460 0.030 . 1 . . . A 12 GLU CG . 11468 1 146 . 1 1 12 12 GLU N N 15 119.971 0.030 . 1 . . . A 12 GLU N . 11468 1 147 . 1 1 13 13 LEU H H 1 8.924 0.030 . 1 . . . A 13 LEU H . 11468 1 148 . 1 1 13 13 LEU HA H 1 3.762 0.030 . 1 . . . A 13 LEU HA . 11468 1 149 . 1 1 13 13 LEU HB2 H 1 1.882 0.030 . 2 . . . A 13 LEU HB2 . 11468 1 150 . 1 1 13 13 LEU HB3 H 1 0.664 0.030 . 2 . . . A 13 LEU HB3 . 11468 1 151 . 1 1 13 13 LEU HG H 1 1.450 0.030 . 1 . . . A 13 LEU HG . 11468 1 152 . 1 1 13 13 LEU HD11 H 1 0.340 0.030 . 1 . . . A 13 LEU HD11 . 11468 1 153 . 1 1 13 13 LEU HD12 H 1 0.340 0.030 . 1 . . . A 13 LEU HD12 . 11468 1 154 . 1 1 13 13 LEU HD13 H 1 0.340 0.030 . 1 . . . A 13 LEU HD13 . 11468 1 155 . 1 1 13 13 LEU HD21 H 1 -0.377 0.030 . 1 . . . A 13 LEU HD21 . 11468 1 156 . 1 1 13 13 LEU HD22 H 1 -0.377 0.030 . 1 . . . A 13 LEU HD22 . 11468 1 157 . 1 1 13 13 LEU HD23 H 1 -0.377 0.030 . 1 . . . A 13 LEU HD23 . 11468 1 158 . 1 1 13 13 LEU C C 13 180.519 0.030 . 1 . . . A 13 LEU C . 11468 1 159 . 1 1 13 13 LEU CA C 13 58.108 0.030 . 1 . . . A 13 LEU CA . 11468 1 160 . 1 1 13 13 LEU CB C 13 39.078 0.030 . 1 . . . A 13 LEU CB . 11468 1 161 . 1 1 13 13 LEU CG C 13 25.828 0.030 . 1 . . . A 13 LEU CG . 11468 1 162 . 1 1 13 13 LEU CD1 C 13 25.571 0.030 . 2 . . . A 13 LEU CD1 . 11468 1 163 . 1 1 13 13 LEU CD2 C 13 20.010 0.030 . 2 . . . A 13 LEU CD2 . 11468 1 164 . 1 1 13 13 LEU N N 15 120.681 0.030 . 1 . . . A 13 LEU N . 11468 1 165 . 1 1 14 14 ARG H H 1 8.734 0.030 . 1 . . . A 14 ARG H . 11468 1 166 . 1 1 14 14 ARG HA H 1 4.079 0.030 . 1 . . . A 14 ARG HA . 11468 1 167 . 1 1 14 14 ARG HB2 H 1 1.926 0.030 . 1 . . . A 14 ARG HB2 . 11468 1 168 . 1 1 14 14 ARG HB3 H 1 1.926 0.030 . 1 . . . A 14 ARG HB3 . 11468 1 169 . 1 1 14 14 ARG HG2 H 1 1.940 0.030 . 2 . . . A 14 ARG HG2 . 11468 1 170 . 1 1 14 14 ARG HG3 H 1 1.819 0.030 . 2 . . . A 14 ARG HG3 . 11468 1 171 . 1 1 14 14 ARG HD2 H 1 3.094 0.030 . 2 . . . A 14 ARG HD2 . 11468 1 172 . 1 1 14 14 ARG HD3 H 1 3.010 0.030 . 2 . . . A 14 ARG HD3 . 11468 1 173 . 1 1 14 14 ARG HE H 1 8.549 0.030 . 1 . . . A 14 ARG HE . 11468 1 174 . 1 1 14 14 ARG C C 13 180.304 0.030 . 1 . . . A 14 ARG C . 11468 1 175 . 1 1 14 14 ARG CA C 13 60.473 0.030 . 1 . . . A 14 ARG CA . 11468 1 176 . 1 1 14 14 ARG CB C 13 30.344 0.030 . 1 . . . A 14 ARG CB . 11468 1 177 . 1 1 14 14 ARG CG C 13 28.695 0.030 . 1 . . . A 14 ARG CG . 11468 1 178 . 1 1 14 14 ARG CD C 13 44.171 0.030 . 1 . . . A 14 ARG CD . 11468 1 179 . 1 1 14 14 ARG N N 15 121.298 0.030 . 1 . . . A 14 ARG N . 11468 1 180 . 1 1 14 14 ARG NE N 15 86.910 0.030 . 1 . . . A 14 ARG NE . 11468 1 181 . 1 1 15 15 LYS H H 1 7.766 0.030 . 1 . . . A 15 LYS H . 11468 1 182 . 1 1 15 15 LYS HA H 1 4.098 0.030 . 1 . . . A 15 LYS HA . 11468 1 183 . 1 1 15 15 LYS HB2 H 1 1.813 0.030 . 2 . . . A 15 LYS HB2 . 11468 1 184 . 1 1 15 15 LYS HB3 H 1 1.751 0.030 . 2 . . . A 15 LYS HB3 . 11468 1 185 . 1 1 15 15 LYS HG2 H 1 1.437 0.030 . 2 . . . A 15 LYS HG2 . 11468 1 186 . 1 1 15 15 LYS HG3 H 1 1.256 0.030 . 2 . . . A 15 LYS HG3 . 11468 1 187 . 1 1 15 15 LYS HD2 H 1 1.311 0.030 . 2 . . . A 15 LYS HD2 . 11468 1 188 . 1 1 15 15 LYS HE2 H 1 2.888 0.030 . 1 . . . A 15 LYS HE2 . 11468 1 189 . 1 1 15 15 LYS HE3 H 1 2.888 0.030 . 1 . . . A 15 LYS HE3 . 11468 1 190 . 1 1 15 15 LYS C C 13 177.161 0.030 . 1 . . . A 15 LYS C . 11468 1 191 . 1 1 15 15 LYS CA C 13 58.422 0.030 . 1 . . . A 15 LYS CA . 11468 1 192 . 1 1 15 15 LYS CB C 13 32.394 0.030 . 1 . . . A 15 LYS CB . 11468 1 193 . 1 1 15 15 LYS CG C 13 24.931 0.030 . 1 . . . A 15 LYS CG . 11468 1 194 . 1 1 15 15 LYS CD C 13 29.355 0.030 . 1 . . . A 15 LYS CD . 11468 1 195 . 1 1 15 15 LYS CE C 13 41.818 0.030 . 1 . . . A 15 LYS CE . 11468 1 196 . 1 1 15 15 LYS N N 15 118.652 0.030 . 1 . . . A 15 LYS N . 11468 1 197 . 1 1 16 16 HIS H H 1 7.461 0.030 . 1 . . . A 16 HIS H . 11468 1 198 . 1 1 16 16 HIS HA H 1 4.743 0.030 . 1 . . . A 16 HIS HA . 11468 1 199 . 1 1 16 16 HIS HB2 H 1 3.778 0.030 . 2 . . . A 16 HIS HB2 . 11468 1 200 . 1 1 16 16 HIS HB3 H 1 2.764 0.030 . 2 . . . A 16 HIS HB3 . 11468 1 201 . 1 1 16 16 HIS HD2 H 1 7.706 0.030 . 1 . . . A 16 HIS HD2 . 11468 1 202 . 1 1 16 16 HIS HE1 H 1 9.000 0.030 . 1 . . . A 16 HIS HE1 . 11468 1 203 . 1 1 16 16 HIS C C 13 174.108 0.030 . 1 . . . A 16 HIS C . 11468 1 204 . 1 1 16 16 HIS CA C 13 55.893 0.030 . 1 . . . A 16 HIS CA . 11468 1 205 . 1 1 16 16 HIS CB C 13 27.977 0.030 . 1 . . . A 16 HIS CB . 11468 1 206 . 1 1 16 16 HIS CD2 C 13 120.800 0.030 . 1 . . . A 16 HIS CD2 . 11468 1 207 . 1 1 16 16 HIS CE1 C 13 137.810 0.030 . 1 . . . A 16 HIS CE1 . 11468 1 208 . 1 1 16 16 HIS N N 15 113.109 0.030 . 1 . . . A 16 HIS N . 11468 1 209 . 1 1 17 17 GLY H H 1 7.758 0.030 . 1 . . . A 17 GLY H . 11468 1 210 . 1 1 17 17 GLY HA2 H 1 3.838 0.030 . 1 . . . A 17 GLY HA2 . 11468 1 211 . 1 1 17 17 GLY HA3 H 1 3.838 0.030 . 1 . . . A 17 GLY HA3 . 11468 1 212 . 1 1 17 17 GLY C C 13 175.147 0.030 . 1 . . . A 17 GLY C . 11468 1 213 . 1 1 17 17 GLY CA C 13 47.178 0.030 . 1 . . . A 17 GLY CA . 11468 1 214 . 1 1 17 17 GLY N N 15 106.249 0.030 . 1 . . . A 17 GLY N . 11468 1 215 . 1 1 18 18 PHE H H 1 7.696 0.030 . 1 . . . A 18 PHE H . 11468 1 216 . 1 1 18 18 PHE HA H 1 4.127 0.030 . 1 . . . A 18 PHE HA . 11468 1 217 . 1 1 18 18 PHE HB2 H 1 2.427 0.030 . 2 . . . A 18 PHE HB2 . 11468 1 218 . 1 1 18 18 PHE HB3 H 1 2.251 0.030 . 2 . . . A 18 PHE HB3 . 11468 1 219 . 1 1 18 18 PHE HD1 H 1 6.334 0.030 . 1 . . . A 18 PHE HD1 . 11468 1 220 . 1 1 18 18 PHE HD2 H 1 6.334 0.030 . 1 . . . A 18 PHE HD2 . 11468 1 221 . 1 1 18 18 PHE HE1 H 1 5.782 0.030 . 1 . . . A 18 PHE HE1 . 11468 1 222 . 1 1 18 18 PHE HE2 H 1 5.782 0.030 . 1 . . . A 18 PHE HE2 . 11468 1 223 . 1 1 18 18 PHE HZ H 1 6.330 0.030 . 1 . . . A 18 PHE HZ . 11468 1 224 . 1 1 18 18 PHE C C 13 175.269 0.030 . 1 . . . A 18 PHE C . 11468 1 225 . 1 1 18 18 PHE CA C 13 58.793 0.030 . 1 . . . A 18 PHE CA . 11468 1 226 . 1 1 18 18 PHE CB C 13 38.172 0.030 . 1 . . . A 18 PHE CB . 11468 1 227 . 1 1 18 18 PHE CD1 C 13 131.508 0.030 . 1 . . . A 18 PHE CD1 . 11468 1 228 . 1 1 18 18 PHE CD2 C 13 131.508 0.030 . 1 . . . A 18 PHE CD2 . 11468 1 229 . 1 1 18 18 PHE CE1 C 13 129.955 0.030 . 1 . . . A 18 PHE CE1 . 11468 1 230 . 1 1 18 18 PHE CE2 C 13 129.955 0.030 . 1 . . . A 18 PHE CE2 . 11468 1 231 . 1 1 18 18 PHE CZ C 13 128.543 0.030 . 1 . . . A 18 PHE CZ . 11468 1 232 . 1 1 18 18 PHE N N 15 120.970 0.030 . 1 . . . A 18 PHE N . 11468 1 233 . 1 1 19 19 GLU H H 1 9.097 0.030 . 1 . . . A 19 GLU H . 11468 1 234 . 1 1 19 19 GLU HA H 1 4.102 0.030 . 1 . . . A 19 GLU HA . 11468 1 235 . 1 1 19 19 GLU HB2 H 1 2.221 0.030 . 2 . . . A 19 GLU HB2 . 11468 1 236 . 1 1 19 19 GLU HB3 H 1 2.015 0.030 . 2 . . . A 19 GLU HB3 . 11468 1 237 . 1 1 19 19 GLU HG2 H 1 2.554 0.030 . 1 . . . A 19 GLU HG2 . 11468 1 238 . 1 1 19 19 GLU HG3 H 1 2.554 0.030 . 1 . . . A 19 GLU HG3 . 11468 1 239 . 1 1 19 19 GLU C C 13 178.435 0.030 . 1 . . . A 19 GLU C . 11468 1 240 . 1 1 19 19 GLU CA C 13 56.894 0.030 . 1 . . . A 19 GLU CA . 11468 1 241 . 1 1 19 19 GLU CB C 13 29.313 0.030 . 1 . . . A 19 GLU CB . 11468 1 242 . 1 1 19 19 GLU CG C 13 35.094 0.030 . 1 . . . A 19 GLU CG . 11468 1 243 . 1 1 19 19 GLU N N 15 124.144 0.030 . 1 . . . A 19 GLU N . 11468 1 244 . 1 1 20 20 GLU H H 1 8.992 0.030 . 1 . . . A 20 GLU H . 11468 1 245 . 1 1 20 20 GLU HA H 1 3.984 0.030 . 1 . . . A 20 GLU HA . 11468 1 246 . 1 1 20 20 GLU HB2 H 1 2.246 0.030 . 2 . . . A 20 GLU HB2 . 11468 1 247 . 1 1 20 20 GLU HB3 H 1 1.992 0.030 . 2 . . . A 20 GLU HB3 . 11468 1 248 . 1 1 20 20 GLU HG2 H 1 2.493 0.030 . 2 . . . A 20 GLU HG2 . 11468 1 249 . 1 1 20 20 GLU HG3 H 1 2.376 0.030 . 2 . . . A 20 GLU HG3 . 11468 1 250 . 1 1 20 20 GLU C C 13 179.367 0.030 . 1 . . . A 20 GLU C . 11468 1 251 . 1 1 20 20 GLU CA C 13 59.288 0.030 . 1 . . . A 20 GLU CA . 11468 1 252 . 1 1 20 20 GLU CB C 13 28.690 0.030 . 1 . . . A 20 GLU CB . 11468 1 253 . 1 1 20 20 GLU CG C 13 34.468 0.030 . 1 . . . A 20 GLU CG . 11468 1 254 . 1 1 20 20 GLU N N 15 126.139 0.030 . 1 . . . A 20 GLU N . 11468 1 255 . 1 1 21 21 ASN H H 1 9.048 0.030 . 1 . . . A 21 ASN H . 11468 1 256 . 1 1 21 21 ASN HA H 1 4.579 0.030 . 1 . . . A 21 ASN HA . 11468 1 257 . 1 1 21 21 ASN HB2 H 1 2.989 0.030 . 2 . . . A 21 ASN HB2 . 11468 1 258 . 1 1 21 21 ASN HB3 H 1 2.861 0.030 . 2 . . . A 21 ASN HB3 . 11468 1 259 . 1 1 21 21 ASN HD21 H 1 7.700 0.030 . 2 . . . A 21 ASN HD21 . 11468 1 260 . 1 1 21 21 ASN HD22 H 1 6.890 0.030 . 2 . . . A 21 ASN HD22 . 11468 1 261 . 1 1 21 21 ASN C C 13 176.408 0.030 . 1 . . . A 21 ASN C . 11468 1 262 . 1 1 21 21 ASN CA C 13 55.680 0.030 . 1 . . . A 21 ASN CA . 11468 1 263 . 1 1 21 21 ASN CB C 13 37.173 0.030 . 1 . . . A 21 ASN CB . 11468 1 264 . 1 1 21 21 ASN N N 15 114.943 0.030 . 1 . . . A 21 ASN N . 11468 1 265 . 1 1 21 21 ASN ND2 N 15 112.590 0.030 . 1 . . . A 21 ASN ND2 . 11468 1 266 . 1 1 22 22 LEU H H 1 7.386 0.030 . 1 . . . A 22 LEU H . 11468 1 267 . 1 1 22 22 LEU HA H 1 4.835 0.030 . 1 . . . A 22 LEU HA . 11468 1 268 . 1 1 22 22 LEU HB2 H 1 1.975 0.030 . 1 . . . A 22 LEU HB2 . 11468 1 269 . 1 1 22 22 LEU HB3 H 1 1.975 0.030 . 1 . . . A 22 LEU HB3 . 11468 1 270 . 1 1 22 22 LEU HG H 1 1.681 0.030 . 1 . . . A 22 LEU HG . 11468 1 271 . 1 1 22 22 LEU HD11 H 1 0.841 0.030 . 1 . . . A 22 LEU HD11 . 11468 1 272 . 1 1 22 22 LEU HD12 H 1 0.841 0.030 . 1 . . . A 22 LEU HD12 . 11468 1 273 . 1 1 22 22 LEU HD13 H 1 0.841 0.030 . 1 . . . A 22 LEU HD13 . 11468 1 274 . 1 1 22 22 LEU HD21 H 1 0.971 0.030 . 1 . . . A 22 LEU HD21 . 11468 1 275 . 1 1 22 22 LEU HD22 H 1 0.971 0.030 . 1 . . . A 22 LEU HD22 . 11468 1 276 . 1 1 22 22 LEU HD23 H 1 0.971 0.030 . 1 . . . A 22 LEU HD23 . 11468 1 277 . 1 1 22 22 LEU C C 13 177.737 0.030 . 1 . . . A 22 LEU C . 11468 1 278 . 1 1 22 22 LEU CA C 13 54.408 0.030 . 1 . . . A 22 LEU CA . 11468 1 279 . 1 1 22 22 LEU CB C 13 43.950 0.030 . 1 . . . A 22 LEU CB . 11468 1 280 . 1 1 22 22 LEU CG C 13 26.492 0.030 . 1 . . . A 22 LEU CG . 11468 1 281 . 1 1 22 22 LEU CD1 C 13 25.862 0.030 . 2 . . . A 22 LEU CD1 . 11468 1 282 . 1 1 22 22 LEU CD2 C 13 22.517 0.030 . 2 . . . A 22 LEU CD2 . 11468 1 283 . 1 1 22 22 LEU N N 15 117.394 0.030 . 1 . . . A 22 LEU N . 11468 1 284 . 1 1 23 23 MET H H 1 7.885 0.030 . 1 . . . A 23 MET H . 11468 1 285 . 1 1 23 23 MET HA H 1 4.618 0.030 . 1 . . . A 23 MET HA . 11468 1 286 . 1 1 23 23 MET HB2 H 1 2.368 0.030 . 2 . . . A 23 MET HB2 . 11468 1 287 . 1 1 23 23 MET HB3 H 1 2.207 0.030 . 2 . . . A 23 MET HB3 . 11468 1 288 . 1 1 23 23 MET HG2 H 1 2.707 0.030 . 1 . . . A 23 MET HG2 . 11468 1 289 . 1 1 23 23 MET HG3 H 1 2.707 0.030 . 1 . . . A 23 MET HG3 . 11468 1 290 . 1 1 23 23 MET HE1 H 1 1.761 0.030 . 1 . . . A 23 MET HE1 . 11468 1 291 . 1 1 23 23 MET HE2 H 1 1.761 0.030 . 1 . . . A 23 MET HE2 . 11468 1 292 . 1 1 23 23 MET HE3 H 1 1.761 0.030 . 1 . . . A 23 MET HE3 . 11468 1 293 . 1 1 23 23 MET C C 13 177.653 0.030 . 1 . . . A 23 MET C . 11468 1 294 . 1 1 23 23 MET CA C 13 57.485 0.030 . 1 . . . A 23 MET CA . 11468 1 295 . 1 1 23 23 MET CB C 13 31.315 0.030 . 1 . . . A 23 MET CB . 11468 1 296 . 1 1 23 23 MET CG C 13 32.491 0.030 . 1 . . . A 23 MET CG . 11468 1 297 . 1 1 23 23 MET CE C 13 16.350 0.030 . 1 . . . A 23 MET CE . 11468 1 298 . 1 1 23 23 MET N N 15 123.090 0.030 . 1 . . . A 23 MET N . 11468 1 299 . 1 1 24 24 ARG H H 1 8.739 0.030 . 1 . . . A 24 ARG H . 11468 1 300 . 1 1 24 24 ARG HA H 1 3.722 0.030 . 1 . . . A 24 ARG HA . 11468 1 301 . 1 1 24 24 ARG HB2 H 1 2.013 0.030 . 2 . . . A 24 ARG HB2 . 11468 1 302 . 1 1 24 24 ARG HB3 H 1 1.819 0.030 . 2 . . . A 24 ARG HB3 . 11468 1 303 . 1 1 24 24 ARG HG2 H 1 1.697 0.030 . 1 . . . A 24 ARG HG2 . 11468 1 304 . 1 1 24 24 ARG HG3 H 1 1.697 0.030 . 1 . . . A 24 ARG HG3 . 11468 1 305 . 1 1 24 24 ARG HD2 H 1 3.496 0.030 . 2 . . . A 24 ARG HD2 . 11468 1 306 . 1 1 24 24 ARG HD3 H 1 3.167 0.030 . 2 . . . A 24 ARG HD3 . 11468 1 307 . 1 1 24 24 ARG HE H 1 6.952 0.030 . 1 . . . A 24 ARG HE . 11468 1 308 . 1 1 24 24 ARG C C 13 178.708 0.030 . 1 . . . A 24 ARG C . 11468 1 309 . 1 1 24 24 ARG CA C 13 61.401 0.030 . 1 . . . A 24 ARG CA . 11468 1 310 . 1 1 24 24 ARG CB C 13 31.497 0.030 . 1 . . . A 24 ARG CB . 11468 1 311 . 1 1 24 24 ARG CG C 13 28.296 0.030 . 1 . . . A 24 ARG CG . 11468 1 312 . 1 1 24 24 ARG CD C 13 44.291 0.030 . 1 . . . A 24 ARG CD . 11468 1 313 . 1 1 24 24 ARG N N 15 116.925 0.030 . 1 . . . A 24 ARG N . 11468 1 314 . 1 1 24 24 ARG NE N 15 84.136 0.030 . 1 . . . A 24 ARG NE . 11468 1 315 . 1 1 25 25 ASN H H 1 7.761 0.030 . 1 . . . A 25 ASN H . 11468 1 316 . 1 1 25 25 ASN HA H 1 4.224 0.030 . 1 . . . A 25 ASN HA . 11468 1 317 . 1 1 25 25 ASN HB2 H 1 2.729 0.030 . 2 . . . A 25 ASN HB2 . 11468 1 318 . 1 1 25 25 ASN HB3 H 1 1.473 0.030 . 2 . . . A 25 ASN HB3 . 11468 1 319 . 1 1 25 25 ASN HD21 H 1 7.518 0.030 . 2 . . . A 25 ASN HD21 . 11468 1 320 . 1 1 25 25 ASN HD22 H 1 7.468 0.030 . 2 . . . A 25 ASN HD22 . 11468 1 321 . 1 1 25 25 ASN C C 13 177.128 0.030 . 1 . . . A 25 ASN C . 11468 1 322 . 1 1 25 25 ASN CA C 13 57.942 0.030 . 1 . . . A 25 ASN CA . 11468 1 323 . 1 1 25 25 ASN CB C 13 41.550 0.030 . 1 . . . A 25 ASN CB . 11468 1 324 . 1 1 25 25 ASN N N 15 118.356 0.030 . 1 . . . A 25 ASN N . 11468 1 325 . 1 1 25 25 ASN ND2 N 15 115.849 0.030 . 1 . . . A 25 ASN ND2 . 11468 1 326 . 1 1 26 26 TRP H H 1 8.495 0.030 . 1 . . . A 26 TRP H . 11468 1 327 . 1 1 26 26 TRP HA H 1 4.263 0.030 . 1 . . . A 26 TRP HA . 11468 1 328 . 1 1 26 26 TRP HB2 H 1 3.293 0.030 . 2 . . . A 26 TRP HB2 . 11468 1 329 . 1 1 26 26 TRP HB3 H 1 2.947 0.030 . 2 . . . A 26 TRP HB3 . 11468 1 330 . 1 1 26 26 TRP HD1 H 1 6.939 0.030 . 1 . . . A 26 TRP HD1 . 11468 1 331 . 1 1 26 26 TRP HE1 H 1 9.794 0.030 . 1 . . . A 26 TRP HE1 . 11468 1 332 . 1 1 26 26 TRP HE3 H 1 7.335 0.030 . 1 . . . A 26 TRP HE3 . 11468 1 333 . 1 1 26 26 TRP HZ2 H 1 6.715 0.030 . 1 . . . A 26 TRP HZ2 . 11468 1 334 . 1 1 26 26 TRP HZ3 H 1 6.316 0.030 . 1 . . . A 26 TRP HZ3 . 11468 1 335 . 1 1 26 26 TRP HH2 H 1 6.937 0.030 . 1 . . . A 26 TRP HH2 . 11468 1 336 . 1 1 26 26 TRP C C 13 178.778 0.030 . 1 . . . A 26 TRP C . 11468 1 337 . 1 1 26 26 TRP CA C 13 61.233 0.030 . 1 . . . A 26 TRP CA . 11468 1 338 . 1 1 26 26 TRP CB C 13 30.106 0.030 . 1 . . . A 26 TRP CB . 11468 1 339 . 1 1 26 26 TRP CD1 C 13 126.632 0.030 . 1 . . . A 26 TRP CD1 . 11468 1 340 . 1 1 26 26 TRP CE3 C 13 119.694 0.030 . 1 . . . A 26 TRP CE3 . 11468 1 341 . 1 1 26 26 TRP CZ2 C 13 115.563 0.030 . 1 . . . A 26 TRP CZ2 . 11468 1 342 . 1 1 26 26 TRP CZ3 C 13 122.266 0.030 . 1 . . . A 26 TRP CZ3 . 11468 1 343 . 1 1 26 26 TRP CH2 C 13 124.310 0.030 . 1 . . . A 26 TRP CH2 . 11468 1 344 . 1 1 26 26 TRP N N 15 119.467 0.030 . 1 . . . A 26 TRP N . 11468 1 345 . 1 1 26 26 TRP NE1 N 15 128.095 0.030 . 1 . . . A 26 TRP NE1 . 11468 1 346 . 1 1 27 27 VAL H H 1 8.724 0.030 . 1 . . . A 27 VAL H . 11468 1 347 . 1 1 27 27 VAL HA H 1 3.342 0.030 . 1 . . . A 27 VAL HA . 11468 1 348 . 1 1 27 27 VAL HB H 1 1.921 0.030 . 1 . . . A 27 VAL HB . 11468 1 349 . 1 1 27 27 VAL HG11 H 1 0.888 0.030 . 1 . . . A 27 VAL HG11 . 11468 1 350 . 1 1 27 27 VAL HG12 H 1 0.888 0.030 . 1 . . . A 27 VAL HG12 . 11468 1 351 . 1 1 27 27 VAL HG13 H 1 0.888 0.030 . 1 . . . A 27 VAL HG13 . 11468 1 352 . 1 1 27 27 VAL HG21 H 1 0.724 0.030 . 1 . . . A 27 VAL HG21 . 11468 1 353 . 1 1 27 27 VAL HG22 H 1 0.724 0.030 . 1 . . . A 27 VAL HG22 . 11468 1 354 . 1 1 27 27 VAL HG23 H 1 0.724 0.030 . 1 . . . A 27 VAL HG23 . 11468 1 355 . 1 1 27 27 VAL C C 13 176.497 0.030 . 1 . . . A 27 VAL C . 11468 1 356 . 1 1 27 27 VAL CA C 13 67.103 0.030 . 1 . . . A 27 VAL CA . 11468 1 357 . 1 1 27 27 VAL CB C 13 31.448 0.030 . 1 . . . A 27 VAL CB . 11468 1 358 . 1 1 27 27 VAL CG1 C 13 24.639 0.030 . 2 . . . A 27 VAL CG1 . 11468 1 359 . 1 1 27 27 VAL CG2 C 13 21.712 0.030 . 2 . . . A 27 VAL CG2 . 11468 1 360 . 1 1 27 27 VAL N N 15 118.211 0.030 . 1 . . . A 27 VAL N . 11468 1 361 . 1 1 28 28 CYS H H 1 7.830 0.030 . 1 . . . A 28 CYS H . 11468 1 362 . 1 1 28 28 CYS HA H 1 4.430 0.030 . 1 . . . A 28 CYS HA . 11468 1 363 . 1 1 28 28 CYS HB2 H 1 3.219 0.030 . 2 . . . A 28 CYS HB2 . 11468 1 364 . 1 1 28 28 CYS HB3 H 1 3.173 0.030 . 2 . . . A 28 CYS HB3 . 11468 1 365 . 1 1 28 28 CYS C C 13 177.499 0.030 . 1 . . . A 28 CYS C . 11468 1 366 . 1 1 28 28 CYS CA C 13 60.808 0.030 . 1 . . . A 28 CYS CA . 11468 1 367 . 1 1 28 28 CYS CB C 13 43.980 0.030 . 1 . . . A 28 CYS CB . 11468 1 368 . 1 1 28 28 CYS N N 15 118.370 0.030 . 1 . . . A 28 CYS N . 11468 1 369 . 1 1 29 29 LEU H H 1 8.741 0.030 . 1 . . . A 29 LEU H . 11468 1 370 . 1 1 29 29 LEU HA H 1 3.782 0.030 . 1 . . . A 29 LEU HA . 11468 1 371 . 1 1 29 29 LEU HB2 H 1 2.028 0.030 . 2 . . . A 29 LEU HB2 . 11468 1 372 . 1 1 29 29 LEU HB3 H 1 1.674 0.030 . 2 . . . A 29 LEU HB3 . 11468 1 373 . 1 1 29 29 LEU HG H 1 1.322 0.030 . 1 . . . A 29 LEU HG . 11468 1 374 . 1 1 29 29 LEU HD11 H 1 0.156 0.030 . 1 . . . A 29 LEU HD11 . 11468 1 375 . 1 1 29 29 LEU HD12 H 1 0.156 0.030 . 1 . . . A 29 LEU HD12 . 11468 1 376 . 1 1 29 29 LEU HD13 H 1 0.156 0.030 . 1 . . . A 29 LEU HD13 . 11468 1 377 . 1 1 29 29 LEU HD21 H 1 0.262 0.030 . 1 . . . A 29 LEU HD21 . 11468 1 378 . 1 1 29 29 LEU HD22 H 1 0.262 0.030 . 1 . . . A 29 LEU HD22 . 11468 1 379 . 1 1 29 29 LEU HD23 H 1 0.262 0.030 . 1 . . . A 29 LEU HD23 . 11468 1 380 . 1 1 29 29 LEU C C 13 177.665 0.030 . 1 . . . A 29 LEU C . 11468 1 381 . 1 1 29 29 LEU CA C 13 60.420 0.030 . 1 . . . A 29 LEU CA . 11468 1 382 . 1 1 29 29 LEU CB C 13 43.222 0.030 . 1 . . . A 29 LEU CB . 11468 1 383 . 1 1 29 29 LEU CG C 13 28.246 0.030 . 1 . . . A 29 LEU CG . 11468 1 384 . 1 1 29 29 LEU CD1 C 13 28.366 0.030 . 2 . . . A 29 LEU CD1 . 11468 1 385 . 1 1 29 29 LEU CD2 C 13 23.827 0.030 . 2 . . . A 29 LEU CD2 . 11468 1 386 . 1 1 29 29 LEU N N 15 123.146 0.030 . 1 . . . A 29 LEU N . 11468 1 387 . 1 1 30 30 VAL H H 1 8.699 0.030 . 1 . . . A 30 VAL H . 11468 1 388 . 1 1 30 30 VAL HA H 1 3.339 0.030 . 1 . . . A 30 VAL HA . 11468 1 389 . 1 1 30 30 VAL HB H 1 1.911 0.030 . 1 . . . A 30 VAL HB . 11468 1 390 . 1 1 30 30 VAL HG11 H 1 0.625 0.030 . 1 . . . A 30 VAL HG11 . 11468 1 391 . 1 1 30 30 VAL HG12 H 1 0.625 0.030 . 1 . . . A 30 VAL HG12 . 11468 1 392 . 1 1 30 30 VAL HG13 H 1 0.625 0.030 . 1 . . . A 30 VAL HG13 . 11468 1 393 . 1 1 30 30 VAL HG21 H 1 0.724 0.030 . 1 . . . A 30 VAL HG21 . 11468 1 394 . 1 1 30 30 VAL HG22 H 1 0.724 0.030 . 1 . . . A 30 VAL HG22 . 11468 1 395 . 1 1 30 30 VAL HG23 H 1 0.724 0.030 . 1 . . . A 30 VAL HG23 . 11468 1 396 . 1 1 30 30 VAL C C 13 179.557 0.030 . 1 . . . A 30 VAL C . 11468 1 397 . 1 1 30 30 VAL CA C 13 67.185 0.030 . 1 . . . A 30 VAL CA . 11468 1 398 . 1 1 30 30 VAL CB C 13 31.507 0.030 . 1 . . . A 30 VAL CB . 11468 1 399 . 1 1 30 30 VAL CG1 C 13 23.422 0.030 . 2 . . . A 30 VAL CG1 . 11468 1 400 . 1 1 30 30 VAL CG2 C 13 23.458 0.030 . 2 . . . A 30 VAL CG2 . 11468 1 401 . 1 1 30 30 VAL N N 15 119.526 0.030 . 1 . . . A 30 VAL N . 11468 1 402 . 1 1 31 31 GLU H H 1 8.876 0.030 . 1 . . . A 31 GLU H . 11468 1 403 . 1 1 31 31 GLU HA H 1 3.530 0.030 . 1 . . . A 31 GLU HA . 11468 1 404 . 1 1 31 31 GLU HB2 H 1 1.941 0.030 . 2 . . . A 31 GLU HB2 . 11468 1 405 . 1 1 31 31 GLU HB3 H 1 1.628 0.030 . 2 . . . A 31 GLU HB3 . 11468 1 406 . 1 1 31 31 GLU HG2 H 1 2.540 0.030 . 2 . . . A 31 GLU HG2 . 11468 1 407 . 1 1 31 31 GLU HG3 H 1 1.997 0.030 . 2 . . . A 31 GLU HG3 . 11468 1 408 . 1 1 31 31 GLU C C 13 178.669 0.030 . 1 . . . A 31 GLU C . 11468 1 409 . 1 1 31 31 GLU CA C 13 61.207 0.030 . 1 . . . A 31 GLU CA . 11468 1 410 . 1 1 31 31 GLU CB C 13 28.531 0.030 . 1 . . . A 31 GLU CB . 11468 1 411 . 1 1 31 31 GLU CG C 13 38.996 0.030 . 1 . . . A 31 GLU CG . 11468 1 412 . 1 1 31 31 GLU N N 15 118.341 0.030 . 1 . . . A 31 GLU N . 11468 1 413 . 1 1 32 32 HIS H H 1 7.746 0.030 . 1 . . . A 32 HIS H . 11468 1 414 . 1 1 32 32 HIS HA H 1 4.400 0.030 . 1 . . . A 32 HIS HA . 11468 1 415 . 1 1 32 32 HIS HB2 H 1 3.298 0.030 . 2 . . . A 32 HIS HB2 . 11468 1 416 . 1 1 32 32 HIS HB3 H 1 2.800 0.030 . 2 . . . A 32 HIS HB3 . 11468 1 417 . 1 1 32 32 HIS HD2 H 1 7.466 0.030 . 1 . . . A 32 HIS HD2 . 11468 1 418 . 1 1 32 32 HIS HE1 H 1 8.713 0.030 . 1 . . . A 32 HIS HE1 . 11468 1 419 . 1 1 32 32 HIS C C 13 174.374 0.030 . 1 . . . A 32 HIS C . 11468 1 420 . 1 1 32 32 HIS CA C 13 58.882 0.030 . 1 . . . A 32 HIS CA . 11468 1 421 . 1 1 32 32 HIS CB C 13 27.441 0.030 . 1 . . . A 32 HIS CB . 11468 1 422 . 1 1 32 32 HIS CD2 C 13 121.042 0.030 . 1 . . . A 32 HIS CD2 . 11468 1 423 . 1 1 32 32 HIS CE1 C 13 137.828 0.030 . 1 . . . A 32 HIS CE1 . 11468 1 424 . 1 1 32 32 HIS N N 15 112.550 0.030 . 1 . . . A 32 HIS N . 11468 1 425 . 1 1 33 33 GLU H H 1 8.226 0.030 . 1 . . . A 33 GLU H . 11468 1 426 . 1 1 33 33 GLU HA H 1 4.681 0.030 . 1 . . . A 33 GLU HA . 11468 1 427 . 1 1 33 33 GLU HB2 H 1 2.056 0.030 . 1 . . . A 33 GLU HB2 . 11468 1 428 . 1 1 33 33 GLU HB3 H 1 2.056 0.030 . 1 . . . A 33 GLU HB3 . 11468 1 429 . 1 1 33 33 GLU HG2 H 1 2.848 0.030 . 2 . . . A 33 GLU HG2 . 11468 1 430 . 1 1 33 33 GLU HG3 H 1 2.398 0.030 . 2 . . . A 33 GLU HG3 . 11468 1 431 . 1 1 33 33 GLU C C 13 176.033 0.030 . 1 . . . A 33 GLU C . 11468 1 432 . 1 1 33 33 GLU CA C 13 57.839 0.030 . 1 . . . A 33 GLU CA . 11468 1 433 . 1 1 33 33 GLU CB C 13 28.778 0.030 . 1 . . . A 33 GLU CB . 11468 1 434 . 1 1 33 33 GLU CG C 13 35.123 0.030 . 1 . . . A 33 GLU CG . 11468 1 435 . 1 1 33 33 GLU N N 15 117.786 0.030 . 1 . . . A 33 GLU N . 11468 1 436 . 1 1 34 34 SER H H 1 8.724 0.030 . 1 . . . A 34 SER H . 11468 1 437 . 1 1 34 34 SER HA H 1 4.626 0.030 . 1 . . . A 34 SER HA . 11468 1 438 . 1 1 34 34 SER HB2 H 1 4.561 0.030 . 2 . . . A 34 SER HB2 . 11468 1 439 . 1 1 34 34 SER HB3 H 1 3.739 0.030 . 2 . . . A 34 SER HB3 . 11468 1 440 . 1 1 34 34 SER C C 13 176.121 0.030 . 1 . . . A 34 SER C . 11468 1 441 . 1 1 34 34 SER CA C 13 57.697 0.030 . 1 . . . A 34 SER CA . 11468 1 442 . 1 1 34 34 SER CB C 13 67.198 0.030 . 1 . . . A 34 SER CB . 11468 1 443 . 1 1 34 34 SER N N 15 110.340 0.030 . 1 . . . A 34 SER N . 11468 1 444 . 1 1 35 35 SER H H 1 7.761 0.030 . 1 . . . A 35 SER H . 11468 1 445 . 1 1 35 35 SER HA H 1 4.307 0.030 . 1 . . . A 35 SER HA . 11468 1 446 . 1 1 35 35 SER HB2 H 1 4.086 0.030 . 1 . . . A 35 SER HB2 . 11468 1 447 . 1 1 35 35 SER HB3 H 1 4.086 0.030 . 1 . . . A 35 SER HB3 . 11468 1 448 . 1 1 35 35 SER C C 13 173.774 0.030 . 1 . . . A 35 SER C . 11468 1 449 . 1 1 35 35 SER CA C 13 59.439 0.030 . 1 . . . A 35 SER CA . 11468 1 450 . 1 1 35 35 SER CB C 13 61.625 0.030 . 1 . . . A 35 SER CB . 11468 1 451 . 1 1 35 35 SER N N 15 116.174 0.030 . 1 . . . A 35 SER N . 11468 1 452 . 1 1 36 36 ARG H H 1 7.123 0.030 . 1 . . . A 36 ARG H . 11468 1 453 . 1 1 36 36 ARG HA H 1 3.255 0.030 . 1 . . . A 36 ARG HA . 11468 1 454 . 1 1 36 36 ARG HB2 H 1 2.862 0.030 . 2 . . . A 36 ARG HB2 . 11468 1 455 . 1 1 36 36 ARG HB3 H 1 1.758 0.030 . 2 . . . A 36 ARG HB3 . 11468 1 456 . 1 1 36 36 ARG HG2 H 1 1.383 0.030 . 2 . . . A 36 ARG HG2 . 11468 1 457 . 1 1 36 36 ARG HG3 H 1 1.126 0.030 . 2 . . . A 36 ARG HG3 . 11468 1 458 . 1 1 36 36 ARG HD2 H 1 3.521 0.030 . 2 . . . A 36 ARG HD2 . 11468 1 459 . 1 1 36 36 ARG HD3 H 1 2.751 0.030 . 2 . . . A 36 ARG HD3 . 11468 1 460 . 1 1 36 36 ARG HE H 1 8.076 0.030 . 1 . . . A 36 ARG HE . 11468 1 461 . 1 1 36 36 ARG C C 13 172.328 0.030 . 1 . . . A 36 ARG C . 11468 1 462 . 1 1 36 36 ARG CA C 13 57.140 0.030 . 1 . . . A 36 ARG CA . 11468 1 463 . 1 1 36 36 ARG CB C 13 29.355 0.030 . 1 . . . A 36 ARG CB . 11468 1 464 . 1 1 36 36 ARG CG C 13 30.075 0.030 . 1 . . . A 36 ARG CG . 11468 1 465 . 1 1 36 36 ARG CD C 13 42.396 0.030 . 1 . . . A 36 ARG CD . 11468 1 466 . 1 1 36 36 ARG N N 15 104.400 0.030 . 1 . . . A 36 ARG N . 11468 1 467 . 1 1 36 36 ARG NE N 15 83.291 0.030 . 1 . . . A 36 ARG NE . 11468 1 468 . 1 1 37 37 ASP H H 1 7.032 0.030 . 1 . . . A 37 ASP H . 11468 1 469 . 1 1 37 37 ASP HA H 1 5.273 0.030 . 1 . . . A 37 ASP HA . 11468 1 470 . 1 1 37 37 ASP HB2 H 1 3.217 0.030 . 2 . . . A 37 ASP HB2 . 11468 1 471 . 1 1 37 37 ASP HB3 H 1 2.513 0.030 . 2 . . . A 37 ASP HB3 . 11468 1 472 . 1 1 37 37 ASP C C 13 176.703 0.030 . 1 . . . A 37 ASP C . 11468 1 473 . 1 1 37 37 ASP CA C 13 52.123 0.030 . 1 . . . A 37 ASP CA . 11468 1 474 . 1 1 37 37 ASP CB C 13 41.839 0.030 . 1 . . . A 37 ASP CB . 11468 1 475 . 1 1 37 37 ASP N N 15 118.630 0.030 . 1 . . . A 37 ASP N . 11468 1 476 . 1 1 38 38 THR H H 1 8.705 0.030 . 1 . . . A 38 THR H . 11468 1 477 . 1 1 38 38 THR HA H 1 3.863 0.030 . 1 . . . A 38 THR HA . 11468 1 478 . 1 1 38 38 THR HB H 1 4.324 0.030 . 1 . . . A 38 THR HB . 11468 1 479 . 1 1 38 38 THR HG21 H 1 1.386 0.030 . 1 . . . A 38 THR HG21 . 11468 1 480 . 1 1 38 38 THR HG22 H 1 1.386 0.030 . 1 . . . A 38 THR HG22 . 11468 1 481 . 1 1 38 38 THR HG23 H 1 1.386 0.030 . 1 . . . A 38 THR HG23 . 11468 1 482 . 1 1 38 38 THR C C 13 175.179 0.030 . 1 . . . A 38 THR C . 11468 1 483 . 1 1 38 38 THR CA C 13 64.522 0.030 . 1 . . . A 38 THR CA . 11468 1 484 . 1 1 38 38 THR CB C 13 69.647 0.030 . 1 . . . A 38 THR CB . 11468 1 485 . 1 1 38 38 THR CG2 C 13 23.360 0.030 . 1 . . . A 38 THR CG2 . 11468 1 486 . 1 1 38 38 THR N N 15 115.103 0.030 . 1 . . . A 38 THR N . 11468 1 487 . 1 1 39 39 SER H H 1 8.278 0.030 . 1 . . . A 39 SER H . 11468 1 488 . 1 1 39 39 SER HA H 1 4.650 0.030 . 1 . . . A 39 SER HA . 11468 1 489 . 1 1 39 39 SER HB2 H 1 4.128 0.030 . 2 . . . A 39 SER HB2 . 11468 1 490 . 1 1 39 39 SER HB3 H 1 3.770 0.030 . 2 . . . A 39 SER HB3 . 11468 1 491 . 1 1 39 39 SER C C 13 174.612 0.030 . 1 . . . A 39 SER C . 11468 1 492 . 1 1 39 39 SER CA C 13 58.068 0.030 . 1 . . . A 39 SER CA . 11468 1 493 . 1 1 39 39 SER CB C 13 64.947 0.030 . 1 . . . A 39 SER CB . 11468 1 494 . 1 1 39 39 SER N N 15 111.825 0.030 . 1 . . . A 39 SER N . 11468 1 495 . 1 1 40 40 LYS H H 1 6.718 0.030 . 1 . . . A 40 LYS H . 11468 1 496 . 1 1 40 40 LYS HA H 1 4.119 0.030 . 1 . . . A 40 LYS HA . 11468 1 497 . 1 1 40 40 LYS HB2 H 1 1.740 0.030 . 2 . . . A 40 LYS HB2 . 11468 1 498 . 1 1 40 40 LYS HB3 H 1 1.600 0.030 . 2 . . . A 40 LYS HB3 . 11468 1 499 . 1 1 40 40 LYS HG2 H 1 1.348 0.030 . 2 . . . A 40 LYS HG2 . 11468 1 500 . 1 1 40 40 LYS HG3 H 1 1.221 0.030 . 2 . . . A 40 LYS HG3 . 11468 1 501 . 1 1 40 40 LYS HE2 H 1 2.880 0.030 . 2 . . . A 40 LYS HE2 . 11468 1 502 . 1 1 40 40 LYS C C 13 176.376 0.030 . 1 . . . A 40 LYS C . 11468 1 503 . 1 1 40 40 LYS CA C 13 56.813 0.030 . 1 . . . A 40 LYS CA . 11468 1 504 . 1 1 40 40 LYS CB C 13 32.939 0.030 . 1 . . . A 40 LYS CB . 11468 1 505 . 1 1 40 40 LYS CG C 13 24.987 0.030 . 1 . . . A 40 LYS CG . 11468 1 506 . 1 1 40 40 LYS CD C 13 29.025 0.030 . 1 . . . A 40 LYS CD . 11468 1 507 . 1 1 40 40 LYS CE C 13 42.127 0.030 . 1 . . . A 40 LYS CE . 11468 1 508 . 1 1 40 40 LYS N N 15 122.371 0.030 . 1 . . . A 40 LYS N . 11468 1 509 . 1 1 41 41 THR H H 1 8.587 0.030 . 1 . . . A 41 THR H . 11468 1 510 . 1 1 41 41 THR HA H 1 5.267 0.030 . 1 . . . A 41 THR HA . 11468 1 511 . 1 1 41 41 THR HB H 1 3.819 0.030 . 1 . . . A 41 THR HB . 11468 1 512 . 1 1 41 41 THR HG21 H 1 0.989 0.030 . 1 . . . A 41 THR HG21 . 11468 1 513 . 1 1 41 41 THR HG22 H 1 0.989 0.030 . 1 . . . A 41 THR HG22 . 11468 1 514 . 1 1 41 41 THR HG23 H 1 0.989 0.030 . 1 . . . A 41 THR HG23 . 11468 1 515 . 1 1 41 41 THR C C 13 173.312 0.030 . 1 . . . A 41 THR C . 11468 1 516 . 1 1 41 41 THR CA C 13 60.263 0.030 . 1 . . . A 41 THR CA . 11468 1 517 . 1 1 41 41 THR CB C 13 71.876 0.030 . 1 . . . A 41 THR CB . 11468 1 518 . 1 1 41 41 THR CG2 C 13 22.095 0.030 . 1 . . . A 41 THR CG2 . 11468 1 519 . 1 1 41 41 THR N N 15 119.491 0.030 . 1 . . . A 41 THR N . 11468 1 520 . 1 1 42 42 ASN H H 1 8.326 0.030 . 1 . . . A 42 ASN H . 11468 1 521 . 1 1 42 42 ASN HA H 1 5.056 0.030 . 1 . . . A 42 ASN HA . 11468 1 522 . 1 1 42 42 ASN HB2 H 1 2.787 0.030 . 2 . . . A 42 ASN HB2 . 11468 1 523 . 1 1 42 42 ASN HB3 H 1 2.715 0.030 . 2 . . . A 42 ASN HB3 . 11468 1 524 . 1 1 42 42 ASN HD21 H 1 7.665 0.030 . 2 . . . A 42 ASN HD21 . 11468 1 525 . 1 1 42 42 ASN HD22 H 1 6.817 0.030 . 2 . . . A 42 ASN HD22 . 11468 1 526 . 1 1 42 42 ASN C C 13 173.821 0.030 . 1 . . . A 42 ASN C . 11468 1 527 . 1 1 42 42 ASN CA C 13 52.577 0.030 . 1 . . . A 42 ASN CA . 11468 1 528 . 1 1 42 42 ASN CB C 13 43.610 0.030 . 1 . . . A 42 ASN CB . 11468 1 529 . 1 1 42 42 ASN N N 15 120.754 0.030 . 1 . . . A 42 ASN N . 11468 1 530 . 1 1 42 42 ASN ND2 N 15 114.687 0.030 . 1 . . . A 42 ASN ND2 . 11468 1 531 . 1 1 43 43 THR H H 1 8.645 0.030 . 1 . . . A 43 THR H . 11468 1 532 . 1 1 43 43 THR HA H 1 4.583 0.030 . 1 . . . A 43 THR HA . 11468 1 533 . 1 1 43 43 THR HB H 1 3.995 0.030 . 1 . . . A 43 THR HB . 11468 1 534 . 1 1 43 43 THR HG21 H 1 1.217 0.030 . 1 . . . A 43 THR HG21 . 11468 1 535 . 1 1 43 43 THR HG22 H 1 1.217 0.030 . 1 . . . A 43 THR HG22 . 11468 1 536 . 1 1 43 43 THR HG23 H 1 1.217 0.030 . 1 . . . A 43 THR HG23 . 11468 1 537 . 1 1 43 43 THR C C 13 173.708 0.030 . 1 . . . A 43 THR C . 11468 1 538 . 1 1 43 43 THR CA C 13 62.372 0.030 . 1 . . . A 43 THR CA . 11468 1 539 . 1 1 43 43 THR CB C 13 69.632 0.030 . 1 . . . A 43 THR CB . 11468 1 540 . 1 1 43 43 THR CG2 C 13 21.531 0.030 . 1 . . . A 43 THR CG2 . 11468 1 541 . 1 1 43 43 THR N N 15 119.445 0.030 . 1 . . . A 43 THR N . 11468 1 542 . 1 1 44 44 ASN H H 1 8.895 0.030 . 1 . . . A 44 ASN H . 11468 1 543 . 1 1 44 44 ASN HA H 1 4.896 0.030 . 1 . . . A 44 ASN HA . 11468 1 544 . 1 1 44 44 ASN HB2 H 1 2.870 0.030 . 2 . . . A 44 ASN HB2 . 11468 1 545 . 1 1 44 44 ASN HB3 H 1 2.699 0.030 . 2 . . . A 44 ASN HB3 . 11468 1 546 . 1 1 44 44 ASN HD21 H 1 7.236 0.030 . 2 . . . A 44 ASN HD21 . 11468 1 547 . 1 1 44 44 ASN HD22 H 1 7.152 0.030 . 2 . . . A 44 ASN HD22 . 11468 1 548 . 1 1 44 44 ASN C C 13 176.950 0.030 . 1 . . . A 44 ASN C . 11468 1 549 . 1 1 44 44 ASN CA C 13 52.746 0.030 . 1 . . . A 44 ASN CA . 11468 1 550 . 1 1 44 44 ASN CB C 13 40.602 0.030 . 1 . . . A 44 ASN CB . 11468 1 551 . 1 1 44 44 ASN N N 15 124.634 0.030 . 1 . . . A 44 ASN N . 11468 1 552 . 1 1 44 44 ASN ND2 N 15 115.414 0.030 . 1 . . . A 44 ASN ND2 . 11468 1 553 . 1 1 45 45 ARG H H 1 8.996 0.030 . 1 . . . A 45 ARG H . 11468 1 554 . 1 1 45 45 ARG HA H 1 4.078 0.030 . 1 . . . A 45 ARG HA . 11468 1 555 . 1 1 45 45 ARG HB2 H 1 1.883 0.030 . 1 . . . A 45 ARG HB2 . 11468 1 556 . 1 1 45 45 ARG HB3 H 1 1.883 0.030 . 1 . . . A 45 ARG HB3 . 11468 1 557 . 1 1 45 45 ARG HG2 H 1 1.741 0.030 . 1 . . . A 45 ARG HG2 . 11468 1 558 . 1 1 45 45 ARG HG3 H 1 1.741 0.030 . 1 . . . A 45 ARG HG3 . 11468 1 559 . 1 1 45 45 ARG HD2 H 1 3.221 0.030 . 1 . . . A 45 ARG HD2 . 11468 1 560 . 1 1 45 45 ARG HD3 H 1 3.221 0.030 . 1 . . . A 45 ARG HD3 . 11468 1 561 . 1 1 45 45 ARG HE H 1 7.199 0.030 . 1 . . . A 45 ARG HE . 11468 1 562 . 1 1 45 45 ARG C C 13 177.027 0.030 . 1 . . . A 45 ARG C . 11468 1 563 . 1 1 45 45 ARG CA C 13 58.910 0.030 . 1 . . . A 45 ARG CA . 11468 1 564 . 1 1 45 45 ARG CB C 13 29.684 0.030 . 1 . . . A 45 ARG CB . 11468 1 565 . 1 1 45 45 ARG CG C 13 27.212 0.030 . 1 . . . A 45 ARG CG . 11468 1 566 . 1 1 45 45 ARG CD C 13 43.280 0.030 . 1 . . . A 45 ARG CD . 11468 1 567 . 1 1 45 45 ARG N N 15 123.231 0.030 . 1 . . . A 45 ARG N . 11468 1 568 . 1 1 45 45 ARG NE N 15 84.528 0.030 . 1 . . . A 45 ARG NE . 11468 1 569 . 1 1 46 46 ASN H H 1 8.132 0.030 . 1 . . . A 46 ASN H . 11468 1 570 . 1 1 46 46 ASN HA H 1 4.615 0.030 . 1 . . . A 46 ASN HA . 11468 1 571 . 1 1 46 46 ASN HB2 H 1 3.351 0.030 . 2 . . . A 46 ASN HB2 . 11468 1 572 . 1 1 46 46 ASN HB3 H 1 2.883 0.030 . 2 . . . A 46 ASN HB3 . 11468 1 573 . 1 1 46 46 ASN HD21 H 1 7.879 0.030 . 2 . . . A 46 ASN HD21 . 11468 1 574 . 1 1 46 46 ASN HD22 H 1 7.154 0.030 . 2 . . . A 46 ASN HD22 . 11468 1 575 . 1 1 46 46 ASN C C 13 176.295 0.030 . 1 . . . A 46 ASN C . 11468 1 576 . 1 1 46 46 ASN CA C 13 52.534 0.030 . 1 . . . A 46 ASN CA . 11468 1 577 . 1 1 46 46 ASN CB C 13 37.348 0.030 . 1 . . . A 46 ASN CB . 11468 1 578 . 1 1 46 46 ASN N N 15 114.098 0.030 . 1 . . . A 46 ASN N . 11468 1 579 . 1 1 46 46 ASN ND2 N 15 112.222 0.030 . 1 . . . A 46 ASN ND2 . 11468 1 580 . 1 1 47 47 GLY H H 1 8.121 0.030 . 1 . . . A 47 GLY H . 11468 1 581 . 1 1 47 47 GLY HA2 H 1 4.388 0.030 . 2 . . . A 47 GLY HA2 . 11468 1 582 . 1 1 47 47 GLY HA3 H 1 3.641 0.030 . 2 . . . A 47 GLY HA3 . 11468 1 583 . 1 1 47 47 GLY C C 13 174.890 0.030 . 1 . . . A 47 GLY C . 11468 1 584 . 1 1 47 47 GLY CA C 13 45.250 0.030 . 1 . . . A 47 GLY CA . 11468 1 585 . 1 1 47 47 GLY N N 15 108.376 0.030 . 1 . . . A 47 GLY N . 11468 1 586 . 1 1 48 48 SER H H 1 7.984 0.030 . 1 . . . A 48 SER H . 11468 1 587 . 1 1 48 48 SER HA H 1 4.650 0.030 . 1 . . . A 48 SER HA . 11468 1 588 . 1 1 48 48 SER HB2 H 1 4.404 0.030 . 2 . . . A 48 SER HB2 . 11468 1 589 . 1 1 48 48 SER HB3 H 1 3.906 0.030 . 2 . . . A 48 SER HB3 . 11468 1 590 . 1 1 48 48 SER C C 13 171.795 0.030 . 1 . . . A 48 SER C . 11468 1 591 . 1 1 48 48 SER CA C 13 58.492 0.030 . 1 . . . A 48 SER CA . 11468 1 592 . 1 1 48 48 SER CB C 13 65.096 0.030 . 1 . . . A 48 SER CB . 11468 1 593 . 1 1 48 48 SER N N 15 116.863 0.030 . 1 . . . A 48 SER N . 11468 1 594 . 1 1 49 49 LYS H H 1 9.046 0.030 . 1 . . . A 49 LYS H . 11468 1 595 . 1 1 49 49 LYS HA H 1 5.158 0.030 . 1 . . . A 49 LYS HA . 11468 1 596 . 1 1 49 49 LYS HB2 H 1 1.676 0.030 . 2 . . . A 49 LYS HB2 . 11468 1 597 . 1 1 49 49 LYS HB3 H 1 1.295 0.030 . 2 . . . A 49 LYS HB3 . 11468 1 598 . 1 1 49 49 LYS HG2 H 1 1.299 0.030 . 2 . . . A 49 LYS HG2 . 11468 1 599 . 1 1 49 49 LYS HG3 H 1 1.136 0.030 . 2 . . . A 49 LYS HG3 . 11468 1 600 . 1 1 49 49 LYS HD2 H 1 1.583 0.030 . 2 . . . A 49 LYS HD2 . 11468 1 601 . 1 1 49 49 LYS HD3 H 1 1.454 0.030 . 2 . . . A 49 LYS HD3 . 11468 1 602 . 1 1 49 49 LYS HE2 H 1 2.864 0.030 . 2 . . . A 49 LYS HE2 . 11468 1 603 . 1 1 49 49 LYS HE3 H 1 2.799 0.030 . 2 . . . A 49 LYS HE3 . 11468 1 604 . 1 1 49 49 LYS C C 13 173.478 0.030 . 1 . . . A 49 LYS C . 11468 1 605 . 1 1 49 49 LYS CA C 13 55.116 0.030 . 1 . . . A 49 LYS CA . 11468 1 606 . 1 1 49 49 LYS CB C 13 36.318 0.030 . 1 . . . A 49 LYS CB . 11468 1 607 . 1 1 49 49 LYS CG C 13 25.658 0.030 . 1 . . . A 49 LYS CG . 11468 1 608 . 1 1 49 49 LYS CD C 13 29.931 0.030 . 1 . . . A 49 LYS CD . 11468 1 609 . 1 1 49 49 LYS CE C 13 42.292 0.030 . 1 . . . A 49 LYS CE . 11468 1 610 . 1 1 49 49 LYS N N 15 121.692 0.030 . 1 . . . A 49 LYS N . 11468 1 611 . 1 1 50 50 ASP H H 1 8.519 0.030 . 1 . . . A 50 ASP H . 11468 1 612 . 1 1 50 50 ASP HA H 1 5.217 0.030 . 1 . . . A 50 ASP HA . 11468 1 613 . 1 1 50 50 ASP HB2 H 1 2.549 0.030 . 2 . . . A 50 ASP HB2 . 11468 1 614 . 1 1 50 50 ASP HB3 H 1 2.080 0.030 . 2 . . . A 50 ASP HB3 . 11468 1 615 . 1 1 50 50 ASP C C 13 176.489 0.030 . 1 . . . A 50 ASP C . 11468 1 616 . 1 1 50 50 ASP CA C 13 51.721 0.030 . 1 . . . A 50 ASP CA . 11468 1 617 . 1 1 50 50 ASP CB C 13 43.239 0.030 . 1 . . . A 50 ASP CB . 11468 1 618 . 1 1 50 50 ASP N N 15 118.303 0.030 . 1 . . . A 50 ASP N . 11468 1 619 . 1 1 51 51 TYR H H 1 9.130 0.030 . 1 . . . A 51 TYR H . 11468 1 620 . 1 1 51 51 TYR HA H 1 4.774 0.030 . 1 . . . A 51 TYR HA . 11468 1 621 . 1 1 51 51 TYR HB2 H 1 3.034 0.030 . 2 . . . A 51 TYR HB2 . 11468 1 622 . 1 1 51 51 TYR HB3 H 1 2.696 0.030 . 2 . . . A 51 TYR HB3 . 11468 1 623 . 1 1 51 51 TYR HD1 H 1 7.364 0.030 . 1 . . . A 51 TYR HD1 . 11468 1 624 . 1 1 51 51 TYR HD2 H 1 7.364 0.030 . 1 . . . A 51 TYR HD2 . 11468 1 625 . 1 1 51 51 TYR HE1 H 1 6.793 0.030 . 1 . . . A 51 TYR HE1 . 11468 1 626 . 1 1 51 51 TYR HE2 H 1 6.793 0.030 . 1 . . . A 51 TYR HE2 . 11468 1 627 . 1 1 51 51 TYR C C 13 178.552 0.030 . 1 . . . A 51 TYR C . 11468 1 628 . 1 1 51 51 TYR CA C 13 59.217 0.030 . 1 . . . A 51 TYR CA . 11468 1 629 . 1 1 51 51 TYR CB C 13 41.794 0.030 . 1 . . . A 51 TYR CB . 11468 1 630 . 1 1 51 51 TYR CD1 C 13 133.406 0.030 . 1 . . . A 51 TYR CD1 . 11468 1 631 . 1 1 51 51 TYR CD2 C 13 133.406 0.030 . 1 . . . A 51 TYR CD2 . 11468 1 632 . 1 1 51 51 TYR CE1 C 13 118.364 0.030 . 1 . . . A 51 TYR CE1 . 11468 1 633 . 1 1 51 51 TYR CE2 C 13 118.364 0.030 . 1 . . . A 51 TYR CE2 . 11468 1 634 . 1 1 51 51 TYR N N 15 117.625 0.030 . 1 . . . A 51 TYR N . 11468 1 635 . 1 1 52 52 GLY H H 1 9.024 0.030 . 1 . . . A 52 GLY H . 11468 1 636 . 1 1 52 52 GLY HA2 H 1 4.712 0.030 . 2 . . . A 52 GLY HA2 . 11468 1 637 . 1 1 52 52 GLY HA3 H 1 4.324 0.030 . 2 . . . A 52 GLY HA3 . 11468 1 638 . 1 1 52 52 GLY C C 13 176.679 0.030 . 1 . . . A 52 GLY C . 11468 1 639 . 1 1 52 52 GLY CA C 13 46.700 0.030 . 1 . . . A 52 GLY CA . 11468 1 640 . 1 1 52 52 GLY N N 15 113.392 0.030 . 1 . . . A 52 GLY N . 11468 1 641 . 1 1 53 53 LEU H H 1 9.516 0.030 . 1 . . . A 53 LEU H . 11468 1 642 . 1 1 53 53 LEU HA H 1 3.953 0.030 . 1 . . . A 53 LEU HA . 11468 1 643 . 1 1 53 53 LEU HB2 H 1 1.247 0.030 . 2 . . . A 53 LEU HB2 . 11468 1 644 . 1 1 53 53 LEU HB3 H 1 1.009 0.030 . 2 . . . A 53 LEU HB3 . 11468 1 645 . 1 1 53 53 LEU HG H 1 1.034 0.030 . 1 . . . A 53 LEU HG . 11468 1 646 . 1 1 53 53 LEU HD11 H 1 0.551 0.030 . 1 . . . A 53 LEU HD11 . 11468 1 647 . 1 1 53 53 LEU HD12 H 1 0.551 0.030 . 1 . . . A 53 LEU HD12 . 11468 1 648 . 1 1 53 53 LEU HD13 H 1 0.551 0.030 . 1 . . . A 53 LEU HD13 . 11468 1 649 . 1 1 53 53 LEU HD21 H 1 0.286 0.030 . 1 . . . A 53 LEU HD21 . 11468 1 650 . 1 1 53 53 LEU HD22 H 1 0.286 0.030 . 1 . . . A 53 LEU HD22 . 11468 1 651 . 1 1 53 53 LEU HD23 H 1 0.286 0.030 . 1 . . . A 53 LEU HD23 . 11468 1 652 . 1 1 53 53 LEU C C 13 178.116 0.030 . 1 . . . A 53 LEU C . 11468 1 653 . 1 1 53 53 LEU CA C 13 56.123 0.030 . 1 . . . A 53 LEU CA . 11468 1 654 . 1 1 53 53 LEU CB C 13 44.393 0.030 . 1 . . . A 53 LEU CB . 11468 1 655 . 1 1 53 53 LEU CG C 13 25.591 0.030 . 1 . . . A 53 LEU CG . 11468 1 656 . 1 1 53 53 LEU CD1 C 13 24.647 0.030 . 2 . . . A 53 LEU CD1 . 11468 1 657 . 1 1 53 53 LEU CD2 C 13 24.476 0.030 . 2 . . . A 53 LEU CD2 . 11468 1 658 . 1 1 53 53 LEU N N 15 123.415 0.030 . 1 . . . A 53 LEU N . 11468 1 659 . 1 1 54 54 PHE H H 1 8.743 0.030 . 1 . . . A 54 PHE H . 11468 1 660 . 1 1 54 54 PHE HA H 1 4.489 0.030 . 1 . . . A 54 PHE HA . 11468 1 661 . 1 1 54 54 PHE HB2 H 1 3.568 0.030 . 2 . . . A 54 PHE HB2 . 11468 1 662 . 1 1 54 54 PHE HB3 H 1 3.065 0.030 . 2 . . . A 54 PHE HB3 . 11468 1 663 . 1 1 54 54 PHE HD1 H 1 7.071 0.030 . 1 . . . A 54 PHE HD1 . 11468 1 664 . 1 1 54 54 PHE HD2 H 1 7.071 0.030 . 1 . . . A 54 PHE HD2 . 11468 1 665 . 1 1 54 54 PHE HE1 H 1 6.720 0.030 . 1 . . . A 54 PHE HE1 . 11468 1 666 . 1 1 54 54 PHE HE2 H 1 6.720 0.030 . 1 . . . A 54 PHE HE2 . 11468 1 667 . 1 1 54 54 PHE HZ H 1 6.387 0.030 . 1 . . . A 54 PHE HZ . 11468 1 668 . 1 1 54 54 PHE C C 13 173.821 0.030 . 1 . . . A 54 PHE C . 11468 1 669 . 1 1 54 54 PHE CA C 13 56.230 0.030 . 1 . . . A 54 PHE CA . 11468 1 670 . 1 1 54 54 PHE CB C 13 40.108 0.030 . 1 . . . A 54 PHE CB . 11468 1 671 . 1 1 54 54 PHE CD1 C 13 132.189 0.030 . 1 . . . A 54 PHE CD1 . 11468 1 672 . 1 1 54 54 PHE CD2 C 13 132.189 0.030 . 1 . . . A 54 PHE CD2 . 11468 1 673 . 1 1 54 54 PHE CE1 C 13 130.248 0.030 . 1 . . . A 54 PHE CE1 . 11468 1 674 . 1 1 54 54 PHE CE2 C 13 130.248 0.030 . 1 . . . A 54 PHE CE2 . 11468 1 675 . 1 1 54 54 PHE CZ C 13 128.920 0.030 . 1 . . . A 54 PHE CZ . 11468 1 676 . 1 1 54 54 PHE N N 15 108.953 0.030 . 1 . . . A 54 PHE N . 11468 1 677 . 1 1 55 55 GLN H H 1 8.175 0.030 . 1 . . . A 55 GLN H . 11468 1 678 . 1 1 55 55 GLN HA H 1 3.536 0.030 . 1 . . . A 55 GLN HA . 11468 1 679 . 1 1 55 55 GLN HB2 H 1 2.476 0.030 . 2 . . . A 55 GLN HB2 . 11468 1 680 . 1 1 55 55 GLN HB3 H 1 2.243 0.030 . 2 . . . A 55 GLN HB3 . 11468 1 681 . 1 1 55 55 GLN HG2 H 1 2.496 0.030 . 2 . . . A 55 GLN HG2 . 11468 1 682 . 1 1 55 55 GLN HG3 H 1 2.069 0.030 . 2 . . . A 55 GLN HG3 . 11468 1 683 . 1 1 55 55 GLN HE21 H 1 8.657 0.030 . 2 . . . A 55 GLN HE21 . 11468 1 684 . 1 1 55 55 GLN HE22 H 1 5.370 0.030 . 2 . . . A 55 GLN HE22 . 11468 1 685 . 1 1 55 55 GLN C C 13 173.230 0.030 . 1 . . . A 55 GLN C . 11468 1 686 . 1 1 55 55 GLN CA C 13 55.596 0.030 . 1 . . . A 55 GLN CA . 11468 1 687 . 1 1 55 55 GLN CB C 13 27.213 0.030 . 1 . . . A 55 GLN CB . 11468 1 688 . 1 1 55 55 GLN CG C 13 35.067 0.030 . 1 . . . A 55 GLN CG . 11468 1 689 . 1 1 55 55 GLN N N 15 116.071 0.030 . 1 . . . A 55 GLN N . 11468 1 690 . 1 1 55 55 GLN NE2 N 15 115.705 0.030 . 1 . . . A 55 GLN NE2 . 11468 1 691 . 1 1 56 56 ILE H H 1 7.556 0.030 . 1 . . . A 56 ILE H . 11468 1 692 . 1 1 56 56 ILE HA H 1 4.054 0.030 . 1 . . . A 56 ILE HA . 11468 1 693 . 1 1 56 56 ILE HB H 1 1.809 0.030 . 1 . . . A 56 ILE HB . 11468 1 694 . 1 1 56 56 ILE HG12 H 1 1.857 0.030 . 2 . . . A 56 ILE HG12 . 11468 1 695 . 1 1 56 56 ILE HG13 H 1 1.071 0.030 . 2 . . . A 56 ILE HG13 . 11468 1 696 . 1 1 56 56 ILE HG21 H 1 1.026 0.030 . 1 . . . A 56 ILE HG21 . 11468 1 697 . 1 1 56 56 ILE HG22 H 1 1.026 0.030 . 1 . . . A 56 ILE HG22 . 11468 1 698 . 1 1 56 56 ILE HG23 H 1 1.026 0.030 . 1 . . . A 56 ILE HG23 . 11468 1 699 . 1 1 56 56 ILE HD11 H 1 1.059 0.030 . 1 . . . A 56 ILE HD11 . 11468 1 700 . 1 1 56 56 ILE HD12 H 1 1.059 0.030 . 1 . . . A 56 ILE HD12 . 11468 1 701 . 1 1 56 56 ILE HD13 H 1 1.059 0.030 . 1 . . . A 56 ILE HD13 . 11468 1 702 . 1 1 56 56 ILE C C 13 177.086 0.030 . 1 . . . A 56 ILE C . 11468 1 703 . 1 1 56 56 ILE CA C 13 61.938 0.030 . 1 . . . A 56 ILE CA . 11468 1 704 . 1 1 56 56 ILE CB C 13 40.226 0.030 . 1 . . . A 56 ILE CB . 11468 1 705 . 1 1 56 56 ILE CG1 C 13 29.160 0.030 . 1 . . . A 56 ILE CG1 . 11468 1 706 . 1 1 56 56 ILE CG2 C 13 19.303 0.030 . 1 . . . A 56 ILE CG2 . 11468 1 707 . 1 1 56 56 ILE CD1 C 13 14.426 0.030 . 1 . . . A 56 ILE CD1 . 11468 1 708 . 1 1 56 56 ILE N N 15 121.104 0.030 . 1 . . . A 56 ILE N . 11468 1 709 . 1 1 57 57 ASN H H 1 8.484 0.030 . 1 . . . A 57 ASN H . 11468 1 710 . 1 1 57 57 ASN HA H 1 6.211 0.030 . 1 . . . A 57 ASN HA . 11468 1 711 . 1 1 57 57 ASN HB2 H 1 3.214 0.030 . 1 . . . A 57 ASN HB2 . 11468 1 712 . 1 1 57 57 ASN HB3 H 1 3.214 0.030 . 1 . . . A 57 ASN HB3 . 11468 1 713 . 1 1 57 57 ASN HD21 H 1 8.532 0.030 . 2 . . . A 57 ASN HD21 . 11468 1 714 . 1 1 57 57 ASN HD22 H 1 7.338 0.030 . 2 . . . A 57 ASN HD22 . 11468 1 715 . 1 1 57 57 ASN C C 13 176.583 0.030 . 1 . . . A 57 ASN C . 11468 1 716 . 1 1 57 57 ASN CA C 13 54.732 0.030 . 1 . . . A 57 ASN CA . 11468 1 717 . 1 1 57 57 ASN CB C 13 43.280 0.030 . 1 . . . A 57 ASN CB . 11468 1 718 . 1 1 57 57 ASN N N 15 127.242 0.030 . 1 . . . A 57 ASN N . 11468 1 719 . 1 1 57 57 ASN ND2 N 15 116.146 0.030 . 1 . . . A 57 ASN ND2 . 11468 1 720 . 1 1 58 58 ASP H H 1 8.880 0.030 . 1 . . . A 58 ASP H . 11468 1 721 . 1 1 58 58 ASP HA H 1 5.220 0.030 . 1 . . . A 58 ASP HA . 11468 1 722 . 1 1 58 58 ASP HB2 H 1 3.385 0.030 . 1 . . . A 58 ASP HB2 . 11468 1 723 . 1 1 58 58 ASP HB3 H 1 3.385 0.030 . 1 . . . A 58 ASP HB3 . 11468 1 724 . 1 1 58 58 ASP C C 13 176.691 0.030 . 1 . . . A 58 ASP C . 11468 1 725 . 1 1 58 58 ASP CA C 13 54.868 0.030 . 1 . . . A 58 ASP CA . 11468 1 726 . 1 1 58 58 ASP CB C 13 42.813 0.030 . 1 . . . A 58 ASP CB . 11468 1 727 . 1 1 58 58 ASP N N 15 121.382 0.030 . 1 . . . A 58 ASP N . 11468 1 728 . 1 1 59 59 ARG H H 1 8.527 0.030 . 1 . . . A 59 ARG H . 11468 1 729 . 1 1 59 59 ARG HA H 1 4.126 0.030 . 1 . . . A 59 ARG HA . 11468 1 730 . 1 1 59 59 ARG HB2 H 1 1.570 0.030 . 2 . . . A 59 ARG HB2 . 11468 1 731 . 1 1 59 59 ARG HB3 H 1 1.443 0.030 . 2 . . . A 59 ARG HB3 . 11468 1 732 . 1 1 59 59 ARG HG2 H 1 1.135 0.030 . 2 . . . A 59 ARG HG2 . 11468 1 733 . 1 1 59 59 ARG HG3 H 1 0.918 0.030 . 2 . . . A 59 ARG HG3 . 11468 1 734 . 1 1 59 59 ARG HD2 H 1 2.997 0.030 . 1 . . . A 59 ARG HD2 . 11468 1 735 . 1 1 59 59 ARG HD3 H 1 2.997 0.030 . 1 . . . A 59 ARG HD3 . 11468 1 736 . 1 1 59 59 ARG HE H 1 7.091 0.030 . 1 . . . A 59 ARG HE . 11468 1 737 . 1 1 59 59 ARG C C 13 178.180 0.030 . 1 . . . A 59 ARG C . 11468 1 738 . 1 1 59 59 ARG CA C 13 58.298 0.030 . 1 . . . A 59 ARG CA . 11468 1 739 . 1 1 59 59 ARG CB C 13 29.755 0.030 . 1 . . . A 59 ARG CB . 11468 1 740 . 1 1 59 59 ARG CG C 13 26.846 0.030 . 1 . . . A 59 ARG CG . 11468 1 741 . 1 1 59 59 ARG CD C 13 43.198 0.030 . 1 . . . A 59 ARG CD . 11468 1 742 . 1 1 59 59 ARG N N 15 120.463 0.030 . 1 . . . A 59 ARG N . 11468 1 743 . 1 1 59 59 ARG NE N 15 84.301 0.030 . 1 . . . A 59 ARG NE . 11468 1 744 . 1 1 60 60 TYR H H 1 7.425 0.030 . 1 . . . A 60 TYR H . 11468 1 745 . 1 1 60 60 TYR HA H 1 4.666 0.030 . 1 . . . A 60 TYR HA . 11468 1 746 . 1 1 60 60 TYR HB2 H 1 2.126 0.030 . 2 . . . A 60 TYR HB2 . 11468 1 747 . 1 1 60 60 TYR HB3 H 1 1.434 0.030 . 2 . . . A 60 TYR HB3 . 11468 1 748 . 1 1 60 60 TYR HD1 H 1 6.912 0.030 . 1 . . . A 60 TYR HD1 . 11468 1 749 . 1 1 60 60 TYR HD2 H 1 6.912 0.030 . 1 . . . A 60 TYR HD2 . 11468 1 750 . 1 1 60 60 TYR HE1 H 1 6.745 0.030 . 1 . . . A 60 TYR HE1 . 11468 1 751 . 1 1 60 60 TYR HE2 H 1 6.745 0.030 . 1 . . . A 60 TYR HE2 . 11468 1 752 . 1 1 60 60 TYR C C 13 177.957 0.030 . 1 . . . A 60 TYR C . 11468 1 753 . 1 1 60 60 TYR CA C 13 57.556 0.030 . 1 . . . A 60 TYR CA . 11468 1 754 . 1 1 60 60 TYR CB C 13 40.169 0.030 . 1 . . . A 60 TYR CB . 11468 1 755 . 1 1 60 60 TYR CD1 C 13 133.271 0.030 . 1 . . . A 60 TYR CD1 . 11468 1 756 . 1 1 60 60 TYR CD2 C 13 133.271 0.030 . 1 . . . A 60 TYR CD2 . 11468 1 757 . 1 1 60 60 TYR CE1 C 13 118.146 0.030 . 1 . . . A 60 TYR CE1 . 11468 1 758 . 1 1 60 60 TYR CE2 C 13 118.146 0.030 . 1 . . . A 60 TYR CE2 . 11468 1 759 . 1 1 60 60 TYR N N 15 110.381 0.030 . 1 . . . A 60 TYR N . 11468 1 760 . 1 1 61 61 TRP H H 1 7.152 0.030 . 1 . . . A 61 TRP H . 11468 1 761 . 1 1 61 61 TRP HA H 1 4.914 0.030 . 1 . . . A 61 TRP HA . 11468 1 762 . 1 1 61 61 TRP HB2 H 1 3.475 0.030 . 2 . . . A 61 TRP HB2 . 11468 1 763 . 1 1 61 61 TRP HB3 H 1 3.339 0.030 . 2 . . . A 61 TRP HB3 . 11468 1 764 . 1 1 61 61 TRP HD1 H 1 7.801 0.030 . 1 . . . A 61 TRP HD1 . 11468 1 765 . 1 1 61 61 TRP HE1 H 1 10.523 0.030 . 1 . . . A 61 TRP HE1 . 11468 1 766 . 1 1 61 61 TRP HE3 H 1 7.832 0.030 . 1 . . . A 61 TRP HE3 . 11468 1 767 . 1 1 61 61 TRP HZ2 H 1 7.252 0.030 . 1 . . . A 61 TRP HZ2 . 11468 1 768 . 1 1 61 61 TRP HZ3 H 1 6.836 0.030 . 1 . . . A 61 TRP HZ3 . 11468 1 769 . 1 1 61 61 TRP HH2 H 1 6.920 0.030 . 1 . . . A 61 TRP HH2 . 11468 1 770 . 1 1 61 61 TRP C C 13 174.883 0.030 . 1 . . . A 61 TRP C . 11468 1 771 . 1 1 61 61 TRP CA C 13 59.934 0.030 . 1 . . . A 61 TRP CA . 11468 1 772 . 1 1 61 61 TRP CB C 13 33.291 0.030 . 1 . . . A 61 TRP CB . 11468 1 773 . 1 1 61 61 TRP CD1 C 13 129.502 0.030 . 1 . . . A 61 TRP CD1 . 11468 1 774 . 1 1 61 61 TRP CE3 C 13 123.296 0.030 . 1 . . . A 61 TRP CE3 . 11468 1 775 . 1 1 61 61 TRP CZ2 C 13 114.170 0.030 . 1 . . . A 61 TRP CZ2 . 11468 1 776 . 1 1 61 61 TRP CZ3 C 13 121.432 0.030 . 1 . . . A 61 TRP CZ3 . 11468 1 777 . 1 1 61 61 TRP CH2 C 13 123.618 0.030 . 1 . . . A 61 TRP CH2 . 11468 1 778 . 1 1 61 61 TRP N N 15 115.834 0.030 . 1 . . . A 61 TRP N . 11468 1 779 . 1 1 61 61 TRP NE1 N 15 129.293 0.030 . 1 . . . A 61 TRP NE1 . 11468 1 780 . 1 1 62 62 CYS H H 1 7.546 0.030 . 1 . . . A 62 CYS H . 11468 1 781 . 1 1 62 62 CYS HA H 1 5.409 0.030 . 1 . . . A 62 CYS HA . 11468 1 782 . 1 1 62 62 CYS HB2 H 1 2.816 0.030 . 2 . . . A 62 CYS HB2 . 11468 1 783 . 1 1 62 62 CYS HB3 H 1 2.465 0.030 . 2 . . . A 62 CYS HB3 . 11468 1 784 . 1 1 62 62 CYS C C 13 170.972 0.030 . 1 . . . A 62 CYS C . 11468 1 785 . 1 1 62 62 CYS CA C 13 52.150 0.030 . 1 . . . A 62 CYS CA . 11468 1 786 . 1 1 62 62 CYS CB C 13 47.071 0.030 . 1 . . . A 62 CYS CB . 11468 1 787 . 1 1 62 62 CYS N N 15 111.761 0.030 . 1 . . . A 62 CYS N . 11468 1 788 . 1 1 63 63 SER H H 1 8.440 0.030 . 1 . . . A 63 SER H . 11468 1 789 . 1 1 63 63 SER HA H 1 4.851 0.030 . 1 . . . A 63 SER HA . 11468 1 790 . 1 1 63 63 SER HB2 H 1 3.878 0.030 . 2 . . . A 63 SER HB2 . 11468 1 791 . 1 1 63 63 SER HB3 H 1 3.560 0.030 . 2 . . . A 63 SER HB3 . 11468 1 792 . 1 1 63 63 SER C C 13 175.743 0.030 . 1 . . . A 63 SER C . 11468 1 793 . 1 1 63 63 SER CA C 13 55.929 0.030 . 1 . . . A 63 SER CA . 11468 1 794 . 1 1 63 63 SER CB C 13 65.260 0.030 . 1 . . . A 63 SER CB . 11468 1 795 . 1 1 63 63 SER N N 15 111.971 0.030 . 1 . . . A 63 SER N . 11468 1 796 . 1 1 64 64 LYS H H 1 9.159 0.030 . 1 . . . A 64 LYS H . 11468 1 797 . 1 1 64 64 LYS HA H 1 4.309 0.030 . 1 . . . A 64 LYS HA . 11468 1 798 . 1 1 64 64 LYS HB2 H 1 1.965 0.030 . 1 . . . A 64 LYS HB2 . 11468 1 799 . 1 1 64 64 LYS HB3 H 1 1.965 0.030 . 1 . . . A 64 LYS HB3 . 11468 1 800 . 1 1 64 64 LYS HG2 H 1 1.553 0.030 . 2 . . . A 64 LYS HG2 . 11468 1 801 . 1 1 64 64 LYS HG3 H 1 1.439 0.030 . 2 . . . A 64 LYS HG3 . 11468 1 802 . 1 1 64 64 LYS HD2 H 1 1.714 0.030 . 1 . . . A 64 LYS HD2 . 11468 1 803 . 1 1 64 64 LYS HD3 H 1 1.714 0.030 . 1 . . . A 64 LYS HD3 . 11468 1 804 . 1 1 64 64 LYS HE2 H 1 3.005 0.030 . 1 . . . A 64 LYS HE2 . 11468 1 805 . 1 1 64 64 LYS HE3 H 1 3.005 0.030 . 1 . . . A 64 LYS HE3 . 11468 1 806 . 1 1 64 64 LYS C C 13 175.877 0.030 . 1 . . . A 64 LYS C . 11468 1 807 . 1 1 64 64 LYS CA C 13 56.813 0.030 . 1 . . . A 64 LYS CA . 11468 1 808 . 1 1 64 64 LYS CB C 13 32.362 0.030 . 1 . . . A 64 LYS CB . 11468 1 809 . 1 1 64 64 LYS CG C 13 24.278 0.030 . 1 . . . A 64 LYS CG . 11468 1 810 . 1 1 64 64 LYS CD C 13 29.437 0.030 . 1 . . . A 64 LYS CD . 11468 1 811 . 1 1 64 64 LYS CE C 13 41.942 0.030 . 1 . . . A 64 LYS CE . 11468 1 812 . 1 1 64 64 LYS N N 15 129.572 0.030 . 1 . . . A 64 LYS N . 11468 1 813 . 1 1 65 65 GLY H H 1 7.980 0.030 . 1 . . . A 65 GLY H . 11468 1 814 . 1 1 65 65 GLY HA2 H 1 4.292 0.030 . 2 . . . A 65 GLY HA2 . 11468 1 815 . 1 1 65 65 GLY HA3 H 1 3.865 0.030 . 2 . . . A 65 GLY HA3 . 11468 1 816 . 1 1 65 65 GLY C C 13 172.841 0.030 . 1 . . . A 65 GLY C . 11468 1 817 . 1 1 65 65 GLY CA C 13 44.419 0.030 . 1 . . . A 65 GLY CA . 11468 1 818 . 1 1 65 65 GLY N N 15 109.819 0.030 . 1 . . . A 65 GLY N . 11468 1 819 . 1 1 66 66 ALA H H 1 8.198 0.030 . 1 . . . A 66 ALA H . 11468 1 820 . 1 1 66 66 ALA HA H 1 4.187 0.030 . 1 . . . A 66 ALA HA . 11468 1 821 . 1 1 66 66 ALA HB1 H 1 1.414 0.030 . 1 . . . A 66 ALA HB1 . 11468 1 822 . 1 1 66 66 ALA HB2 H 1 1.414 0.030 . 1 . . . A 66 ALA HB2 . 11468 1 823 . 1 1 66 66 ALA HB3 H 1 1.414 0.030 . 1 . . . A 66 ALA HB3 . 11468 1 824 . 1 1 66 66 ALA C C 13 177.607 0.030 . 1 . . . A 66 ALA C . 11468 1 825 . 1 1 66 66 ALA CA C 13 53.218 0.030 . 1 . . . A 66 ALA CA . 11468 1 826 . 1 1 66 66 ALA CB C 13 19.541 0.030 . 1 . . . A 66 ALA CB . 11468 1 827 . 1 1 66 66 ALA N N 15 119.806 0.030 . 1 . . . A 66 ALA N . 11468 1 828 . 1 1 67 67 SER H H 1 7.923 0.030 . 1 . . . A 67 SER H . 11468 1 829 . 1 1 67 67 SER HA H 1 5.029 0.030 . 1 . . . A 67 SER HA . 11468 1 830 . 1 1 67 67 SER HB2 H 1 3.853 0.030 . 2 . . . A 67 SER HB2 . 11468 1 831 . 1 1 67 67 SER HB3 H 1 3.692 0.030 . 2 . . . A 67 SER HB3 . 11468 1 832 . 1 1 67 67 SER C C 13 171.132 0.030 . 1 . . . A 67 SER C . 11468 1 833 . 1 1 67 67 SER CA C 13 55.348 0.030 . 1 . . . A 67 SER CA . 11468 1 834 . 1 1 67 67 SER CB C 13 64.013 0.030 . 1 . . . A 67 SER CB . 11468 1 835 . 1 1 67 67 SER N N 15 112.830 0.030 . 1 . . . A 67 SER N . 11468 1 836 . 1 1 68 68 PRO HA H 1 3.821 0.030 . 1 . . . A 68 PRO HA . 11468 1 837 . 1 1 68 68 PRO HB2 H 1 1.700 0.030 . 2 . . . A 68 PRO HB2 . 11468 1 838 . 1 1 68 68 PRO HB3 H 1 1.957 0.030 . 2 . . . A 68 PRO HB3 . 11468 1 839 . 1 1 68 68 PRO HG2 H 1 2.040 0.030 . 1 . . . A 68 PRO HG2 . 11468 1 840 . 1 1 68 68 PRO HG3 H 1 2.040 0.030 . 1 . . . A 68 PRO HG3 . 11468 1 841 . 1 1 68 68 PRO HD2 H 1 3.799 0.030 . 2 . . . A 68 PRO HD2 . 11468 1 842 . 1 1 68 68 PRO HD3 H 1 3.709 0.030 . 2 . . . A 68 PRO HD3 . 11468 1 843 . 1 1 68 68 PRO C C 13 174.882 0.030 . 1 . . . A 68 PRO C . 11468 1 844 . 1 1 68 68 PRO CA C 13 63.107 0.030 . 1 . . . A 68 PRO CA . 11468 1 845 . 1 1 68 68 PRO CB C 13 31.909 0.030 . 1 . . . A 68 PRO CB . 11468 1 846 . 1 1 68 68 PRO CG C 13 27.295 0.030 . 1 . . . A 68 PRO CG . 11468 1 847 . 1 1 68 68 PRO CD C 13 50.604 0.030 . 1 . . . A 68 PRO CD . 11468 1 848 . 1 1 69 69 GLY H H 1 6.641 0.030 . 1 . . . A 69 GLY H . 11468 1 849 . 1 1 69 69 GLY HA2 H 1 4.206 0.030 . 2 . . . A 69 GLY HA2 . 11468 1 850 . 1 1 69 69 GLY HA3 H 1 4.038 0.030 . 2 . . . A 69 GLY HA3 . 11468 1 851 . 1 1 69 69 GLY C C 13 171.387 0.030 . 1 . . . A 69 GLY C . 11468 1 852 . 1 1 69 69 GLY CA C 13 45.798 0.030 . 1 . . . A 69 GLY CA . 11468 1 853 . 1 1 69 69 GLY N N 15 106.417 0.030 . 1 . . . A 69 GLY N . 11468 1 854 . 1 1 70 70 LYS H H 1 8.409 0.030 . 1 . . . A 70 LYS H . 11468 1 855 . 1 1 70 70 LYS HA H 1 3.918 0.030 . 1 . . . A 70 LYS HA . 11468 1 856 . 1 1 70 70 LYS HB2 H 1 1.824 0.030 . 2 . . . A 70 LYS HB2 . 11468 1 857 . 1 1 70 70 LYS HB3 H 1 1.311 0.030 . 2 . . . A 70 LYS HB3 . 11468 1 858 . 1 1 70 70 LYS HG2 H 1 1.276 0.030 . 2 . . . A 70 LYS HG2 . 11468 1 859 . 1 1 70 70 LYS HG3 H 1 1.155 0.030 . 2 . . . A 70 LYS HG3 . 11468 1 860 . 1 1 70 70 LYS HD2 H 1 1.412 0.030 . 1 . . . A 70 LYS HD2 . 11468 1 861 . 1 1 70 70 LYS HD3 H 1 1.412 0.030 . 1 . . . A 70 LYS HD3 . 11468 1 862 . 1 1 70 70 LYS HE2 H 1 3.001 0.030 . 2 . . . A 70 LYS HE2 . 11468 1 863 . 1 1 70 70 LYS HE3 H 1 2.919 0.030 . 2 . . . A 70 LYS HE3 . 11468 1 864 . 1 1 70 70 LYS C C 13 178.749 0.030 . 1 . . . A 70 LYS C . 11468 1 865 . 1 1 70 70 LYS CA C 13 57.821 0.030 . 1 . . . A 70 LYS CA . 11468 1 866 . 1 1 70 70 LYS CB C 13 29.882 0.030 . 1 . . . A 70 LYS CB . 11468 1 867 . 1 1 70 70 LYS CG C 13 25.647 0.030 . 1 . . . A 70 LYS CG . 11468 1 868 . 1 1 70 70 LYS CD C 13 28.778 0.030 . 1 . . . A 70 LYS CD . 11468 1 869 . 1 1 70 70 LYS CE C 13 42.786 0.030 . 1 . . . A 70 LYS CE . 11468 1 870 . 1 1 70 70 LYS N N 15 109.842 0.030 . 1 . . . A 70 LYS N . 11468 1 871 . 1 1 71 71 ASP H H 1 8.065 0.030 . 1 . . . A 71 ASP H . 11468 1 872 . 1 1 71 71 ASP HA H 1 4.473 0.030 . 1 . . . A 71 ASP HA . 11468 1 873 . 1 1 71 71 ASP HB2 H 1 2.697 0.030 . 2 . . . A 71 ASP HB2 . 11468 1 874 . 1 1 71 71 ASP HB3 H 1 2.607 0.030 . 2 . . . A 71 ASP HB3 . 11468 1 875 . 1 1 71 71 ASP C C 13 178.367 0.030 . 1 . . . A 71 ASP C . 11468 1 876 . 1 1 71 71 ASP CA C 13 58.705 0.030 . 1 . . . A 71 ASP CA . 11468 1 877 . 1 1 71 71 ASP CB C 13 40.324 0.030 . 1 . . . A 71 ASP CB . 11468 1 878 . 1 1 71 71 ASP N N 15 117.727 0.030 . 1 . . . A 71 ASP N . 11468 1 879 . 1 1 72 72 CYS H H 1 9.153 0.030 . 1 . . . A 72 CYS H . 11468 1 880 . 1 1 72 72 CYS HA H 1 4.592 0.030 . 1 . . . A 72 CYS HA . 11468 1 881 . 1 1 72 72 CYS HB2 H 1 3.680 0.030 . 1 . . . A 72 CYS HB2 . 11468 1 882 . 1 1 72 72 CYS HB3 H 1 3.680 0.030 . 1 . . . A 72 CYS HB3 . 11468 1 883 . 1 1 72 72 CYS C C 13 173.884 0.030 . 1 . . . A 72 CYS C . 11468 1 884 . 1 1 72 72 CYS CA C 13 55.699 0.030 . 1 . . . A 72 CYS CA . 11468 1 885 . 1 1 72 72 CYS CB C 13 40.437 0.030 . 1 . . . A 72 CYS CB . 11468 1 886 . 1 1 72 72 CYS N N 15 112.748 0.030 . 1 . . . A 72 CYS N . 11468 1 887 . 1 1 73 73 ASN H H 1 8.148 0.030 . 1 . . . A 73 ASN H . 11468 1 888 . 1 1 73 73 ASN HA H 1 3.922 0.030 . 1 . . . A 73 ASN HA . 11468 1 889 . 1 1 73 73 ASN HB2 H 1 3.195 0.030 . 2 . . . A 73 ASN HB2 . 11468 1 890 . 1 1 73 73 ASN HB3 H 1 2.410 0.030 . 2 . . . A 73 ASN HB3 . 11468 1 891 . 1 1 73 73 ASN HD21 H 1 7.374 0.030 . 2 . . . A 73 ASN HD21 . 11468 1 892 . 1 1 73 73 ASN HD22 H 1 6.583 0.030 . 2 . . . A 73 ASN HD22 . 11468 1 893 . 1 1 73 73 ASN C C 13 173.285 0.030 . 1 . . . A 73 ASN C . 11468 1 894 . 1 1 73 73 ASN CA C 13 53.681 0.030 . 1 . . . A 73 ASN CA . 11468 1 895 . 1 1 73 73 ASN CB C 13 36.704 0.030 . 1 . . . A 73 ASN CB . 11468 1 896 . 1 1 73 73 ASN N N 15 120.769 0.030 . 1 . . . A 73 ASN N . 11468 1 897 . 1 1 73 73 ASN ND2 N 15 109.719 0.030 . 1 . . . A 73 ASN ND2 . 11468 1 898 . 1 1 74 74 VAL H H 1 7.985 0.030 . 1 . . . A 74 VAL H . 11468 1 899 . 1 1 74 74 VAL HA H 1 4.727 0.030 . 1 . . . A 74 VAL HA . 11468 1 900 . 1 1 74 74 VAL HB H 1 2.065 0.030 . 1 . . . A 74 VAL HB . 11468 1 901 . 1 1 74 74 VAL HG11 H 1 0.815 0.030 . 1 . . . A 74 VAL HG11 . 11468 1 902 . 1 1 74 74 VAL HG12 H 1 0.815 0.030 . 1 . . . A 74 VAL HG12 . 11468 1 903 . 1 1 74 74 VAL HG13 H 1 0.815 0.030 . 1 . . . A 74 VAL HG13 . 11468 1 904 . 1 1 74 74 VAL HG21 H 1 1.129 0.030 . 1 . . . A 74 VAL HG21 . 11468 1 905 . 1 1 74 74 VAL HG22 H 1 1.129 0.030 . 1 . . . A 74 VAL HG22 . 11468 1 906 . 1 1 74 74 VAL HG23 H 1 1.129 0.030 . 1 . . . A 74 VAL HG23 . 11468 1 907 . 1 1 74 74 VAL C C 13 174.650 0.030 . 1 . . . A 74 VAL C . 11468 1 908 . 1 1 74 74 VAL CA C 13 59.182 0.030 . 1 . . . A 74 VAL CA . 11468 1 909 . 1 1 74 74 VAL CB C 13 36.647 0.030 . 1 . . . A 74 VAL CB . 11468 1 910 . 1 1 74 74 VAL CG1 C 13 21.697 0.030 . 2 . . . A 74 VAL CG1 . 11468 1 911 . 1 1 74 74 VAL CG2 C 13 21.911 0.030 . 2 . . . A 74 VAL CG2 . 11468 1 912 . 1 1 74 74 VAL N N 15 113.550 0.030 . 1 . . . A 74 VAL N . 11468 1 913 . 1 1 75 75 LYS H H 1 9.278 0.030 . 1 . . . A 75 LYS H . 11468 1 914 . 1 1 75 75 LYS HA H 1 4.851 0.030 . 1 . . . A 75 LYS HA . 11468 1 915 . 1 1 75 75 LYS HB2 H 1 1.972 0.030 . 2 . . . A 75 LYS HB2 . 11468 1 916 . 1 1 75 75 LYS HB3 H 1 1.518 0.030 . 2 . . . A 75 LYS HB3 . 11468 1 917 . 1 1 75 75 LYS HG2 H 1 1.229 0.030 . 2 . . . A 75 LYS HG2 . 11468 1 918 . 1 1 75 75 LYS HG3 H 1 1.144 0.030 . 2 . . . A 75 LYS HG3 . 11468 1 919 . 1 1 75 75 LYS HD2 H 1 1.987 0.030 . 2 . . . A 75 LYS HD2 . 11468 1 920 . 1 1 75 75 LYS HD3 H 1 1.584 0.030 . 2 . . . A 75 LYS HD3 . 11468 1 921 . 1 1 75 75 LYS HE3 H 1 2.859 0.030 . 2 . . . A 75 LYS HE3 . 11468 1 922 . 1 1 75 75 LYS C C 13 178.523 0.030 . 1 . . . A 75 LYS C . 11468 1 923 . 1 1 75 75 LYS CA C 13 56.141 0.030 . 1 . . . A 75 LYS CA . 11468 1 924 . 1 1 75 75 LYS CB C 13 32.527 0.030 . 1 . . . A 75 LYS CB . 11468 1 925 . 1 1 75 75 LYS CG C 13 24.987 0.030 . 1 . . . A 75 LYS CG . 11468 1 926 . 1 1 75 75 LYS CD C 13 29.272 0.030 . 1 . . . A 75 LYS CD . 11468 1 927 . 1 1 75 75 LYS CE C 13 41.818 0.030 . 1 . . . A 75 LYS CE . 11468 1 928 . 1 1 75 75 LYS N N 15 128.255 0.030 . 1 . . . A 75 LYS N . 11468 1 929 . 1 1 76 76 CYS H H 1 9.317 0.030 . 1 . . . A 76 CYS H . 11468 1 930 . 1 1 76 76 CYS HA H 1 3.817 0.030 . 1 . . . A 76 CYS HA . 11468 1 931 . 1 1 76 76 CYS HB2 H 1 2.036 0.030 . 2 . . . A 76 CYS HB2 . 11468 1 932 . 1 1 76 76 CYS HB3 H 1 1.044 0.030 . 2 . . . A 76 CYS HB3 . 11468 1 933 . 1 1 76 76 CYS C C 13 176.808 0.030 . 1 . . . A 76 CYS C . 11468 1 934 . 1 1 76 76 CYS CA C 13 57.347 0.030 . 1 . . . A 76 CYS CA . 11468 1 935 . 1 1 76 76 CYS CB C 13 37.718 0.030 . 1 . . . A 76 CYS CB . 11468 1 936 . 1 1 76 76 CYS N N 15 124.833 0.030 . 1 . . . A 76 CYS N . 11468 1 937 . 1 1 77 77 SER H H 1 8.595 0.030 . 1 . . . A 77 SER H . 11468 1 938 . 1 1 77 77 SER HA H 1 3.961 0.030 . 1 . . . A 77 SER HA . 11468 1 939 . 1 1 77 77 SER HB2 H 1 3.932 0.030 . 2 . . . A 77 SER HB2 . 11468 1 940 . 1 1 77 77 SER HB3 H 1 3.819 0.030 . 2 . . . A 77 SER HB3 . 11468 1 941 . 1 1 77 77 SER C C 13 177.491 0.030 . 1 . . . A 77 SER C . 11468 1 942 . 1 1 77 77 SER CA C 13 61.551 0.030 . 1 . . . A 77 SER CA . 11468 1 943 . 1 1 77 77 SER CB C 13 61.614 0.030 . 1 . . . A 77 SER CB . 11468 1 944 . 1 1 77 77 SER N N 15 112.906 0.030 . 1 . . . A 77 SER N . 11468 1 945 . 1 1 78 78 ASP H H 1 7.398 0.030 . 1 . . . A 78 ASP H . 11468 1 946 . 1 1 78 78 ASP HA H 1 4.820 0.030 . 1 . . . A 78 ASP HA . 11468 1 947 . 1 1 78 78 ASP HB2 H 1 2.981 0.030 . 2 . . . A 78 ASP HB2 . 11468 1 948 . 1 1 78 78 ASP HB3 H 1 2.842 0.030 . 2 . . . A 78 ASP HB3 . 11468 1 949 . 1 1 78 78 ASP C C 13 175.761 0.030 . 1 . . . A 78 ASP C . 11468 1 950 . 1 1 78 78 ASP CA C 13 56.106 0.030 . 1 . . . A 78 ASP CA . 11468 1 951 . 1 1 78 78 ASP CB C 13 40.913 0.030 . 1 . . . A 78 ASP CB . 11468 1 952 . 1 1 78 78 ASP N N 15 122.042 0.030 . 1 . . . A 78 ASP N . 11468 1 953 . 1 1 79 79 LEU H H 1 7.973 0.030 . 1 . . . A 79 LEU H . 11468 1 954 . 1 1 79 79 LEU HA H 1 4.494 0.030 . 1 . . . A 79 LEU HA . 11468 1 955 . 1 1 79 79 LEU HB2 H 1 2.214 0.030 . 2 . . . A 79 LEU HB2 . 11468 1 956 . 1 1 79 79 LEU HB3 H 1 1.808 0.030 . 2 . . . A 79 LEU HB3 . 11468 1 957 . 1 1 79 79 LEU HG H 1 1.824 0.030 . 1 . . . A 79 LEU HG . 11468 1 958 . 1 1 79 79 LEU HD11 H 1 0.989 0.030 . 1 . . . A 79 LEU HD11 . 11468 1 959 . 1 1 79 79 LEU HD12 H 1 0.989 0.030 . 1 . . . A 79 LEU HD12 . 11468 1 960 . 1 1 79 79 LEU HD13 H 1 0.989 0.030 . 1 . . . A 79 LEU HD13 . 11468 1 961 . 1 1 79 79 LEU HD21 H 1 0.714 0.030 . 1 . . . A 79 LEU HD21 . 11468 1 962 . 1 1 79 79 LEU HD22 H 1 0.714 0.030 . 1 . . . A 79 LEU HD22 . 11468 1 963 . 1 1 79 79 LEU HD23 H 1 0.714 0.030 . 1 . . . A 79 LEU HD23 . 11468 1 964 . 1 1 79 79 LEU C C 13 175.528 0.030 . 1 . . . A 79 LEU C . 11468 1 965 . 1 1 79 79 LEU CA C 13 53.793 0.030 . 1 . . . A 79 LEU CA . 11468 1 966 . 1 1 79 79 LEU CB C 13 40.333 0.030 . 1 . . . A 79 LEU CB . 11468 1 967 . 1 1 79 79 LEU CG C 13 26.183 0.030 . 1 . . . A 79 LEU CG . 11468 1 968 . 1 1 79 79 LEU CD1 C 13 26.286 0.030 . 2 . . . A 79 LEU CD1 . 11468 1 969 . 1 1 79 79 LEU CD2 C 13 22.371 0.030 . 2 . . . A 79 LEU CD2 . 11468 1 970 . 1 1 79 79 LEU N N 15 117.454 0.030 . 1 . . . A 79 LEU N . 11468 1 971 . 1 1 80 80 LEU H H 1 6.900 0.030 . 1 . . . A 80 LEU H . 11468 1 972 . 1 1 80 80 LEU HA H 1 5.508 0.030 . 1 . . . A 80 LEU HA . 11468 1 973 . 1 1 80 80 LEU HB2 H 1 1.851 0.030 . 2 . . . A 80 LEU HB2 . 11468 1 974 . 1 1 80 80 LEU HB3 H 1 1.756 0.030 . 2 . . . A 80 LEU HB3 . 11468 1 975 . 1 1 80 80 LEU HG H 1 1.760 0.030 . 1 . . . A 80 LEU HG . 11468 1 976 . 1 1 80 80 LEU HD11 H 1 1.046 0.030 . 1 . . . A 80 LEU HD11 . 11468 1 977 . 1 1 80 80 LEU HD12 H 1 1.046 0.030 . 1 . . . A 80 LEU HD12 . 11468 1 978 . 1 1 80 80 LEU HD13 H 1 1.046 0.030 . 1 . . . A 80 LEU HD13 . 11468 1 979 . 1 1 80 80 LEU HD21 H 1 1.014 0.030 . 1 . . . A 80 LEU HD21 . 11468 1 980 . 1 1 80 80 LEU HD22 H 1 1.014 0.030 . 1 . . . A 80 LEU HD22 . 11468 1 981 . 1 1 80 80 LEU HD23 H 1 1.014 0.030 . 1 . . . A 80 LEU HD23 . 11468 1 982 . 1 1 80 80 LEU C C 13 177.811 0.030 . 1 . . . A 80 LEU C . 11468 1 983 . 1 1 80 80 LEU CA C 13 53.464 0.030 . 1 . . . A 80 LEU CA . 11468 1 984 . 1 1 80 80 LEU CB C 13 43.852 0.030 . 1 . . . A 80 LEU CB . 11468 1 985 . 1 1 80 80 LEU CG C 13 26.323 0.030 . 1 . . . A 80 LEU CG . 11468 1 986 . 1 1 80 80 LEU CD1 C 13 25.819 0.030 . 2 . . . A 80 LEU CD1 . 11468 1 987 . 1 1 80 80 LEU CD2 C 13 23.999 0.030 . 2 . . . A 80 LEU CD2 . 11468 1 988 . 1 1 80 80 LEU N N 15 116.470 0.030 . 1 . . . A 80 LEU N . 11468 1 989 . 1 1 81 81 THR H H 1 7.198 0.030 . 1 . . . A 81 THR H . 11468 1 990 . 1 1 81 81 THR HA H 1 4.404 0.030 . 1 . . . A 81 THR HA . 11468 1 991 . 1 1 81 81 THR HB H 1 4.680 0.030 . 1 . . . A 81 THR HB . 11468 1 992 . 1 1 81 81 THR HG21 H 1 1.372 0.030 . 1 . . . A 81 THR HG21 . 11468 1 993 . 1 1 81 81 THR HG22 H 1 1.372 0.030 . 1 . . . A 81 THR HG22 . 11468 1 994 . 1 1 81 81 THR HG23 H 1 1.372 0.030 . 1 . . . A 81 THR HG23 . 11468 1 995 . 1 1 81 81 THR C C 13 174.513 0.030 . 1 . . . A 81 THR C . 11468 1 996 . 1 1 81 81 THR CA C 13 60.986 0.030 . 1 . . . A 81 THR CA . 11468 1 997 . 1 1 81 81 THR CB C 13 70.350 0.030 . 1 . . . A 81 THR CB . 11468 1 998 . 1 1 81 81 THR CG2 C 13 21.577 0.030 . 1 . . . A 81 THR CG2 . 11468 1 999 . 1 1 81 81 THR N N 15 109.395 0.030 . 1 . . . A 81 THR N . 11468 1 1000 . 1 1 82 82 ASP H H 1 8.591 0.030 . 1 . . . A 82 ASP H . 11468 1 1001 . 1 1 82 82 ASP HA H 1 4.201 0.030 . 1 . . . A 82 ASP HA . 11468 1 1002 . 1 1 82 82 ASP HB2 H 1 2.704 0.030 . 2 . . . A 82 ASP HB2 . 11468 1 1003 . 1 1 82 82 ASP HB3 H 1 2.566 0.030 . 2 . . . A 82 ASP HB3 . 11468 1 1004 . 1 1 82 82 ASP C C 13 176.110 0.030 . 1 . . . A 82 ASP C . 11468 1 1005 . 1 1 82 82 ASP CA C 13 56.462 0.030 . 1 . . . A 82 ASP CA . 11468 1 1006 . 1 1 82 82 ASP CB C 13 39.325 0.030 . 1 . . . A 82 ASP CB . 11468 1 1007 . 1 1 82 82 ASP N N 15 119.577 0.030 . 1 . . . A 82 ASP N . 11468 1 1008 . 1 1 83 83 ASP H H 1 7.658 0.030 . 1 . . . A 83 ASP H . 11468 1 1009 . 1 1 83 83 ASP HA H 1 4.835 0.030 . 1 . . . A 83 ASP HA . 11468 1 1010 . 1 1 83 83 ASP HB2 H 1 2.880 0.030 . 2 . . . A 83 ASP HB2 . 11468 1 1011 . 1 1 83 83 ASP HB3 H 1 2.671 0.030 . 2 . . . A 83 ASP HB3 . 11468 1 1012 . 1 1 83 83 ASP C C 13 178.336 0.030 . 1 . . . A 83 ASP C . 11468 1 1013 . 1 1 83 83 ASP CA C 13 53.206 0.030 . 1 . . . A 83 ASP CA . 11468 1 1014 . 1 1 83 83 ASP CB C 13 41.756 0.030 . 1 . . . A 83 ASP CB . 11468 1 1015 . 1 1 83 83 ASP N N 15 114.416 0.030 . 1 . . . A 83 ASP N . 11468 1 1016 . 1 1 84 84 ILE H H 1 8.667 0.030 . 1 . . . A 84 ILE H . 11468 1 1017 . 1 1 84 84 ILE HA H 1 4.821 0.030 . 1 . . . A 84 ILE HA . 11468 1 1018 . 1 1 84 84 ILE HB H 1 2.126 0.030 . 1 . . . A 84 ILE HB . 11468 1 1019 . 1 1 84 84 ILE HG12 H 1 1.083 0.030 . 2 . . . A 84 ILE HG12 . 11468 1 1020 . 1 1 84 84 ILE HG13 H 1 0.339 0.030 . 2 . . . A 84 ILE HG13 . 11468 1 1021 . 1 1 84 84 ILE HG21 H 1 1.079 0.030 . 1 . . . A 84 ILE HG21 . 11468 1 1022 . 1 1 84 84 ILE HG22 H 1 1.079 0.030 . 1 . . . A 84 ILE HG22 . 11468 1 1023 . 1 1 84 84 ILE HG23 H 1 1.079 0.030 . 1 . . . A 84 ILE HG23 . 11468 1 1024 . 1 1 84 84 ILE HD11 H 1 0.414 0.030 . 1 . . . A 84 ILE HD11 . 11468 1 1025 . 1 1 84 84 ILE HD12 H 1 0.414 0.030 . 1 . . . A 84 ILE HD12 . 11468 1 1026 . 1 1 84 84 ILE HD13 H 1 0.414 0.030 . 1 . . . A 84 ILE HD13 . 11468 1 1027 . 1 1 84 84 ILE C C 13 175.550 0.030 . 1 . . . A 84 ILE C . 11468 1 1028 . 1 1 84 84 ILE CA C 13 61.445 0.030 . 1 . . . A 84 ILE CA . 11468 1 1029 . 1 1 84 84 ILE CB C 13 39.127 0.030 . 1 . . . A 84 ILE CB . 11468 1 1030 . 1 1 84 84 ILE CG1 C 13 25.660 0.030 . 1 . . . A 84 ILE CG1 . 11468 1 1031 . 1 1 84 84 ILE CG2 C 13 17.188 0.030 . 1 . . . A 84 ILE CG2 . 11468 1 1032 . 1 1 84 84 ILE CD1 C 13 15.574 0.030 . 1 . . . A 84 ILE CD1 . 11468 1 1033 . 1 1 84 84 ILE N N 15 120.600 0.030 . 1 . . . A 84 ILE N . 11468 1 1034 . 1 1 85 85 THR H H 1 8.529 0.030 . 1 . . . A 85 THR H . 11468 1 1035 . 1 1 85 85 THR HA H 1 4.241 0.030 . 1 . . . A 85 THR HA . 11468 1 1036 . 1 1 85 85 THR HB H 1 3.468 0.030 . 1 . . . A 85 THR HB . 11468 1 1037 . 1 1 85 85 THR HG21 H 1 1.314 0.030 . 1 . . . A 85 THR HG21 . 11468 1 1038 . 1 1 85 85 THR HG22 H 1 1.314 0.030 . 1 . . . A 85 THR HG22 . 11468 1 1039 . 1 1 85 85 THR HG23 H 1 1.314 0.030 . 1 . . . A 85 THR HG23 . 11468 1 1040 . 1 1 85 85 THR C C 13 176.606 0.030 . 1 . . . A 85 THR C . 11468 1 1041 . 1 1 85 85 THR CA C 13 68.115 0.030 . 1 . . . A 85 THR CA . 11468 1 1042 . 1 1 85 85 THR CB C 13 68.950 0.030 . 1 . . . A 85 THR CB . 11468 1 1043 . 1 1 85 85 THR CG2 C 13 21.185 0.030 . 1 . . . A 85 THR CG2 . 11468 1 1044 . 1 1 85 85 THR N N 15 120.427 0.030 . 1 . . . A 85 THR N . 11468 1 1045 . 1 1 86 86 LYS H H 1 9.027 0.030 . 1 . . . A 86 LYS H . 11468 1 1046 . 1 1 86 86 LYS HA H 1 3.980 0.030 . 1 . . . A 86 LYS HA . 11468 1 1047 . 1 1 86 86 LYS HB2 H 1 1.814 0.030 . 2 . . . A 86 LYS HB2 . 11468 1 1048 . 1 1 86 86 LYS HB3 H 1 1.651 0.030 . 2 . . . A 86 LYS HB3 . 11468 1 1049 . 1 1 86 86 LYS HG2 H 1 1.664 0.030 . 2 . . . A 86 LYS HG2 . 11468 1 1050 . 1 1 86 86 LYS HG3 H 1 1.506 0.030 . 2 . . . A 86 LYS HG3 . 11468 1 1051 . 1 1 86 86 LYS HD2 H 1 1.717 0.030 . 1 . . . A 86 LYS HD2 . 11468 1 1052 . 1 1 86 86 LYS HD3 H 1 1.717 0.030 . 1 . . . A 86 LYS HD3 . 11468 1 1053 . 1 1 86 86 LYS HE2 H 1 3.060 0.030 . 2 . . . A 86 LYS HE2 . 11468 1 1054 . 1 1 86 86 LYS C C 13 179.490 0.030 . 1 . . . A 86 LYS C . 11468 1 1055 . 1 1 86 86 LYS CA C 13 61.038 0.030 . 1 . . . A 86 LYS CA . 11468 1 1056 . 1 1 86 86 LYS CB C 13 32.445 0.030 . 1 . . . A 86 LYS CB . 11468 1 1057 . 1 1 86 86 LYS CG C 13 27.214 0.030 . 1 . . . A 86 LYS CG . 11468 1 1058 . 1 1 86 86 LYS CD C 13 30.343 0.030 . 1 . . . A 86 LYS CD . 11468 1 1059 . 1 1 86 86 LYS CE C 13 42.292 0.030 . 1 . . . A 86 LYS CE . 11468 1 1060 . 1 1 86 86 LYS N N 15 120.363 0.030 . 1 . . . A 86 LYS N . 11468 1 1061 . 1 1 87 87 ALA H H 1 8.382 0.030 . 1 . . . A 87 ALA H . 11468 1 1062 . 1 1 87 87 ALA HA H 1 3.994 0.030 . 1 . . . A 87 ALA HA . 11468 1 1063 . 1 1 87 87 ALA HB1 H 1 1.765 0.030 . 1 . . . A 87 ALA HB1 . 11468 1 1064 . 1 1 87 87 ALA HB2 H 1 1.765 0.030 . 1 . . . A 87 ALA HB2 . 11468 1 1065 . 1 1 87 87 ALA HB3 H 1 1.765 0.030 . 1 . . . A 87 ALA HB3 . 11468 1 1066 . 1 1 87 87 ALA C C 13 178.067 0.030 . 1 . . . A 87 ALA C . 11468 1 1067 . 1 1 87 87 ALA CA C 13 55.537 0.030 . 1 . . . A 87 ALA CA . 11468 1 1068 . 1 1 87 87 ALA CB C 13 18.273 0.030 . 1 . . . A 87 ALA CB . 11468 1 1069 . 1 1 87 87 ALA N N 15 123.562 0.030 . 1 . . . A 87 ALA N . 11468 1 1070 . 1 1 88 88 ALA H H 1 9.335 0.030 . 1 . . . A 88 ALA H . 11468 1 1071 . 1 1 88 88 ALA HA H 1 3.695 0.030 . 1 . . . A 88 ALA HA . 11468 1 1072 . 1 1 88 88 ALA HB1 H 1 1.433 0.030 . 1 . . . A 88 ALA HB1 . 11468 1 1073 . 1 1 88 88 ALA HB2 H 1 1.433 0.030 . 1 . . . A 88 ALA HB2 . 11468 1 1074 . 1 1 88 88 ALA HB3 H 1 1.433 0.030 . 1 . . . A 88 ALA HB3 . 11468 1 1075 . 1 1 88 88 ALA C C 13 178.451 0.030 . 1 . . . A 88 ALA C . 11468 1 1076 . 1 1 88 88 ALA CA C 13 55.075 0.030 . 1 . . . A 88 ALA CA . 11468 1 1077 . 1 1 88 88 ALA CB C 13 18.312 0.030 . 1 . . . A 88 ALA CB . 11468 1 1078 . 1 1 88 88 ALA N N 15 119.803 0.030 . 1 . . . A 88 ALA N . 11468 1 1079 . 1 1 89 89 LYS H H 1 7.822 0.030 . 1 . . . A 89 LYS H . 11468 1 1080 . 1 1 89 89 LYS HA H 1 3.872 0.030 . 1 . . . A 89 LYS HA . 11468 1 1081 . 1 1 89 89 LYS HB2 H 1 1.945 0.030 . 1 . . . A 89 LYS HB2 . 11468 1 1082 . 1 1 89 89 LYS HB3 H 1 1.945 0.030 . 1 . . . A 89 LYS HB3 . 11468 1 1083 . 1 1 89 89 LYS HG2 H 1 1.676 0.030 . 2 . . . A 89 LYS HG2 . 11468 1 1084 . 1 1 89 89 LYS HG3 H 1 1.458 0.030 . 2 . . . A 89 LYS HG3 . 11468 1 1085 . 1 1 89 89 LYS HE2 H 1 3.001 0.030 . 2 . . . A 89 LYS HE2 . 11468 1 1086 . 1 1 89 89 LYS HE3 H 1 2.907 0.030 . 2 . . . A 89 LYS HE3 . 11468 1 1087 . 1 1 89 89 LYS C C 13 179.596 0.030 . 1 . . . A 89 LYS C . 11468 1 1088 . 1 1 89 89 LYS CA C 13 59.925 0.030 . 1 . . . A 89 LYS CA . 11468 1 1089 . 1 1 89 89 LYS CB C 13 32.650 0.030 . 1 . . . A 89 LYS CB . 11468 1 1090 . 1 1 89 89 LYS CG C 13 25.670 0.030 . 1 . . . A 89 LYS CG . 11468 1 1091 . 1 1 89 89 LYS CD C 13 29.767 0.030 . 1 . . . A 89 LYS CD . 11468 1 1092 . 1 1 89 89 LYS CE C 13 42.462 0.030 . 1 . . . A 89 LYS CE . 11468 1 1093 . 1 1 89 89 LYS N N 15 116.905 0.030 . 1 . . . A 89 LYS N . 11468 1 1094 . 1 1 90 90 CYS H H 1 7.638 0.030 . 1 . . . A 90 CYS H . 11468 1 1095 . 1 1 90 90 CYS HA H 1 4.866 0.030 . 1 . . . A 90 CYS HA . 11468 1 1096 . 1 1 90 90 CYS HB2 H 1 3.437 0.030 . 2 . . . A 90 CYS HB2 . 11468 1 1097 . 1 1 90 90 CYS HB3 H 1 2.861 0.030 . 2 . . . A 90 CYS HB3 . 11468 1 1098 . 1 1 90 90 CYS C C 13 175.319 0.030 . 1 . . . A 90 CYS C . 11468 1 1099 . 1 1 90 90 CYS CA C 13 56.247 0.030 . 1 . . . A 90 CYS CA . 11468 1 1100 . 1 1 90 90 CYS CB C 13 33.991 0.030 . 1 . . . A 90 CYS CB . 11468 1 1101 . 1 1 90 90 CYS N N 15 117.061 0.030 . 1 . . . A 90 CYS N . 11468 1 1102 . 1 1 91 91 ALA H H 1 8.846 0.030 . 1 . . . A 91 ALA H . 11468 1 1103 . 1 1 91 91 ALA HA H 1 3.942 0.030 . 1 . . . A 91 ALA HA . 11468 1 1104 . 1 1 91 91 ALA HB1 H 1 0.706 0.030 . 1 . . . A 91 ALA HB1 . 11468 1 1105 . 1 1 91 91 ALA HB2 H 1 0.706 0.030 . 1 . . . A 91 ALA HB2 . 11468 1 1106 . 1 1 91 91 ALA HB3 H 1 0.706 0.030 . 1 . . . A 91 ALA HB3 . 11468 1 1107 . 1 1 91 91 ALA C C 13 179.717 0.030 . 1 . . . A 91 ALA C . 11468 1 1108 . 1 1 91 91 ALA CA C 13 55.840 0.030 . 1 . . . A 91 ALA CA . 11468 1 1109 . 1 1 91 91 ALA CB C 13 16.585 0.030 . 1 . . . A 91 ALA CB . 11468 1 1110 . 1 1 91 91 ALA N N 15 122.093 0.030 . 1 . . . A 91 ALA N . 11468 1 1111 . 1 1 92 92 LYS H H 1 7.896 0.030 . 1 . . . A 92 LYS H . 11468 1 1112 . 1 1 92 92 LYS HA H 1 3.887 0.030 . 1 . . . A 92 LYS HA . 11468 1 1113 . 1 1 92 92 LYS HB2 H 1 1.719 0.030 . 1 . . . A 92 LYS HB2 . 11468 1 1114 . 1 1 92 92 LYS HB3 H 1 1.719 0.030 . 1 . . . A 92 LYS HB3 . 11468 1 1115 . 1 1 92 92 LYS HG2 H 1 1.149 0.030 . 2 . . . A 92 LYS HG2 . 11468 1 1116 . 1 1 92 92 LYS HG3 H 1 0.790 0.030 . 2 . . . A 92 LYS HG3 . 11468 1 1117 . 1 1 92 92 LYS HD2 H 1 1.135 0.030 . 1 . . . A 92 LYS HD2 . 11468 1 1118 . 1 1 92 92 LYS HD3 H 1 1.135 0.030 . 1 . . . A 92 LYS HD3 . 11468 1 1119 . 1 1 92 92 LYS HE2 H 1 2.023 0.030 . 2 . . . A 92 LYS HE2 . 11468 1 1120 . 1 1 92 92 LYS HE3 H 1 1.951 0.030 . 2 . . . A 92 LYS HE3 . 11468 1 1121 . 1 1 92 92 LYS C C 13 179.155 0.030 . 1 . . . A 92 LYS C . 11468 1 1122 . 1 1 92 92 LYS CA C 13 60.283 0.030 . 1 . . . A 92 LYS CA . 11468 1 1123 . 1 1 92 92 LYS CB C 13 32.424 0.030 . 1 . . . A 92 LYS CB . 11468 1 1124 . 1 1 92 92 LYS CG C 13 25.983 0.030 . 1 . . . A 92 LYS CG . 11468 1 1125 . 1 1 92 92 LYS CD C 13 29.246 0.030 . 1 . . . A 92 LYS CD . 11468 1 1126 . 1 1 92 92 LYS CE C 13 41.293 0.030 . 1 . . . A 92 LYS CE . 11468 1 1127 . 1 1 92 92 LYS N N 15 115.119 0.030 . 1 . . . A 92 LYS N . 11468 1 1128 . 1 1 93 93 LYS H H 1 7.526 0.030 . 1 . . . A 93 LYS H . 11468 1 1129 . 1 1 93 93 LYS HA H 1 4.071 0.030 . 1 . . . A 93 LYS HA . 11468 1 1130 . 1 1 93 93 LYS HB2 H 1 2.201 0.030 . 2 . . . A 93 LYS HB2 . 11468 1 1131 . 1 1 93 93 LYS HB3 H 1 2.111 0.030 . 2 . . . A 93 LYS HB3 . 11468 1 1132 . 1 1 93 93 LYS HG2 H 1 1.672 0.030 . 2 . . . A 93 LYS HG2 . 11468 1 1133 . 1 1 93 93 LYS HG3 H 1 1.486 0.030 . 2 . . . A 93 LYS HG3 . 11468 1 1134 . 1 1 93 93 LYS HD2 H 1 1.908 0.030 . 2 . . . A 93 LYS HD2 . 11468 1 1135 . 1 1 93 93 LYS HD3 H 1 2.221 0.030 . 2 . . . A 93 LYS HD3 . 11468 1 1136 . 1 1 93 93 LYS HE2 H 1 3.116 0.030 . 2 . . . A 93 LYS HE2 . 11468 1 1137 . 1 1 93 93 LYS HE3 H 1 3.026 0.030 . 2 . . . A 93 LYS HE3 . 11468 1 1138 . 1 1 93 93 LYS C C 13 178.927 0.030 . 1 . . . A 93 LYS C . 11468 1 1139 . 1 1 93 93 LYS CA C 13 60.179 0.030 . 1 . . . A 93 LYS CA . 11468 1 1140 . 1 1 93 93 LYS CB C 13 32.156 0.030 . 1 . . . A 93 LYS CB . 11468 1 1141 . 1 1 93 93 LYS CG C 13 25.703 0.030 . 1 . . . A 93 LYS CG . 11468 1 1142 . 1 1 93 93 LYS CD C 13 29.632 0.030 . 1 . . . A 93 LYS CD . 11468 1 1143 . 1 1 93 93 LYS CE C 13 42.292 0.030 . 1 . . . A 93 LYS CE . 11468 1 1144 . 1 1 93 93 LYS N N 15 123.159 0.030 . 1 . . . A 93 LYS N . 11468 1 1145 . 1 1 94 94 ILE H H 1 8.115 0.030 . 1 . . . A 94 ILE H . 11468 1 1146 . 1 1 94 94 ILE HA H 1 2.971 0.030 . 1 . . . A 94 ILE HA . 11468 1 1147 . 1 1 94 94 ILE HB H 1 1.653 0.030 . 1 . . . A 94 ILE HB . 11468 1 1148 . 1 1 94 94 ILE HG12 H 1 0.821 0.030 . 2 . . . A 94 ILE HG12 . 11468 1 1149 . 1 1 94 94 ILE HG13 H 1 -2.074 0.030 . 2 . . . A 94 ILE HG13 . 11468 1 1150 . 1 1 94 94 ILE HG21 H 1 -0.232 0.030 . 1 . . . A 94 ILE HG21 . 11468 1 1151 . 1 1 94 94 ILE HG22 H 1 -0.232 0.030 . 1 . . . A 94 ILE HG22 . 11468 1 1152 . 1 1 94 94 ILE HG23 H 1 -0.232 0.030 . 1 . . . A 94 ILE HG23 . 11468 1 1153 . 1 1 94 94 ILE HD11 H 1 -0.165 0.030 . 1 . . . A 94 ILE HD11 . 11468 1 1154 . 1 1 94 94 ILE HD12 H 1 -0.165 0.030 . 1 . . . A 94 ILE HD12 . 11468 1 1155 . 1 1 94 94 ILE HD13 H 1 -0.165 0.030 . 1 . . . A 94 ILE HD13 . 11468 1 1156 . 1 1 94 94 ILE C C 13 178.840 0.030 . 1 . . . A 94 ILE C . 11468 1 1157 . 1 1 94 94 ILE CA C 13 65.848 0.030 . 1 . . . A 94 ILE CA . 11468 1 1158 . 1 1 94 94 ILE CB C 13 36.866 0.030 . 1 . . . A 94 ILE CB . 11468 1 1159 . 1 1 94 94 ILE CG1 C 13 25.783 0.030 . 1 . . . A 94 ILE CG1 . 11468 1 1160 . 1 1 94 94 ILE CG2 C 13 17.075 0.030 . 1 . . . A 94 ILE CG2 . 11468 1 1161 . 1 1 94 94 ILE CD1 C 13 14.488 0.030 . 1 . . . A 94 ILE CD1 . 11468 1 1162 . 1 1 94 94 ILE N N 15 121.148 0.030 . 1 . . . A 94 ILE N . 11468 1 1163 . 1 1 95 95 TYR H H 1 8.634 0.030 . 1 . . . A 95 TYR H . 11468 1 1164 . 1 1 95 95 TYR HA H 1 4.217 0.030 . 1 . . . A 95 TYR HA . 11468 1 1165 . 1 1 95 95 TYR HB2 H 1 3.211 0.030 . 1 . . . A 95 TYR HB2 . 11468 1 1166 . 1 1 95 95 TYR HB3 H 1 3.211 0.030 . 1 . . . A 95 TYR HB3 . 11468 1 1167 . 1 1 95 95 TYR HD1 H 1 6.330 0.030 . 1 . . . A 95 TYR HD1 . 11468 1 1168 . 1 1 95 95 TYR HD2 H 1 6.330 0.030 . 1 . . . A 95 TYR HD2 . 11468 1 1169 . 1 1 95 95 TYR C C 13 178.525 0.030 . 1 . . . A 95 TYR C . 11468 1 1170 . 1 1 95 95 TYR CA C 13 60.798 0.030 . 1 . . . A 95 TYR CA . 11468 1 1171 . 1 1 95 95 TYR CB C 13 39.074 0.030 . 1 . . . A 95 TYR CB . 11468 1 1172 . 1 1 95 95 TYR CD1 C 13 131.507 0.030 . 1 . . . A 95 TYR CD1 . 11468 1 1173 . 1 1 95 95 TYR CD2 C 13 131.507 0.030 . 1 . . . A 95 TYR CD2 . 11468 1 1174 . 1 1 95 95 TYR CE1 C 13 119.696 0.030 . 1 . . . A 95 TYR CE1 . 11468 1 1175 . 1 1 95 95 TYR CE2 C 13 119.696 0.030 . 1 . . . A 95 TYR CE2 . 11468 1 1176 . 1 1 95 95 TYR N N 15 120.846 0.030 . 1 . . . A 95 TYR N . 11468 1 1177 . 1 1 96 96 LYS H H 1 8.225 0.030 . 1 . . . A 96 LYS H . 11468 1 1178 . 1 1 96 96 LYS HA H 1 3.859 0.030 . 1 . . . A 96 LYS HA . 11468 1 1179 . 1 1 96 96 LYS HB2 H 1 2.026 0.030 . 2 . . . A 96 LYS HB2 . 11468 1 1180 . 1 1 96 96 LYS HB3 H 1 1.926 0.030 . 2 . . . A 96 LYS HB3 . 11468 1 1181 . 1 1 96 96 LYS HG2 H 1 1.610 0.030 . 2 . . . A 96 LYS HG2 . 11468 1 1182 . 1 1 96 96 LYS HG3 H 1 1.496 0.030 . 2 . . . A 96 LYS HG3 . 11468 1 1183 . 1 1 96 96 LYS HD2 H 1 1.731 0.030 . 2 . . . A 96 LYS HD2 . 11468 1 1184 . 1 1 96 96 LYS HE2 H 1 3.010 0.030 . 2 . . . A 96 LYS HE2 . 11468 1 1185 . 1 1 96 96 LYS C C 13 177.608 0.030 . 1 . . . A 96 LYS C . 11468 1 1186 . 1 1 96 96 LYS CA C 13 59.376 0.030 . 1 . . . A 96 LYS CA . 11468 1 1187 . 1 1 96 96 LYS CB C 13 32.156 0.030 . 1 . . . A 96 LYS CB . 11468 1 1188 . 1 1 96 96 LYS CG C 13 25.317 0.030 . 1 . . . A 96 LYS CG . 11468 1 1189 . 1 1 96 96 LYS CD C 13 29.519 0.030 . 1 . . . A 96 LYS CD . 11468 1 1190 . 1 1 96 96 LYS CE C 13 42.209 0.030 . 1 . . . A 96 LYS CE . 11468 1 1191 . 1 1 96 96 LYS N N 15 120.876 0.030 . 1 . . . A 96 LYS N . 11468 1 1192 . 1 1 97 97 ARG H H 1 7.251 0.030 . 1 . . . A 97 ARG H . 11468 1 1193 . 1 1 97 97 ARG HA H 1 4.157 0.030 . 1 . . . A 97 ARG HA . 11468 1 1194 . 1 1 97 97 ARG HB2 H 1 1.738 0.030 . 2 . . . A 97 ARG HB2 . 11468 1 1195 . 1 1 97 97 ARG HB3 H 1 1.408 0.030 . 2 . . . A 97 ARG HB3 . 11468 1 1196 . 1 1 97 97 ARG HG2 H 1 1.516 0.030 . 2 . . . A 97 ARG HG2 . 11468 1 1197 . 1 1 97 97 ARG HG3 H 1 1.448 0.030 . 2 . . . A 97 ARG HG3 . 11468 1 1198 . 1 1 97 97 ARG HD2 H 1 3.206 0.030 . 2 . . . A 97 ARG HD2 . 11468 1 1199 . 1 1 97 97 ARG HD3 H 1 3.141 0.030 . 2 . . . A 97 ARG HD3 . 11468 1 1200 . 1 1 97 97 ARG HE H 1 7.376 0.030 . 1 . . . A 97 ARG HE . 11468 1 1201 . 1 1 97 97 ARG C C 13 177.665 0.030 . 1 . . . A 97 ARG C . 11468 1 1202 . 1 1 97 97 ARG CA C 13 57.325 0.030 . 1 . . . A 97 ARG CA . 11468 1 1203 . 1 1 97 97 ARG CB C 13 31.744 0.030 . 1 . . . A 97 ARG CB . 11468 1 1204 . 1 1 97 97 ARG CG C 13 27.035 0.030 . 1 . . . A 97 ARG CG . 11468 1 1205 . 1 1 97 97 ARG CD C 13 43.198 0.030 . 1 . . . A 97 ARG CD . 11468 1 1206 . 1 1 97 97 ARG N N 15 114.541 0.030 . 1 . . . A 97 ARG N . 11468 1 1207 . 1 1 97 97 ARG NE N 15 84.202 0.030 . 1 . . . A 97 ARG NE . 11468 1 1208 . 1 1 98 98 HIS H H 1 8.472 0.030 . 1 . . . A 98 HIS H . 11468 1 1209 . 1 1 98 98 HIS HA H 1 4.835 0.030 . 1 . . . A 98 HIS HA . 11468 1 1210 . 1 1 98 98 HIS HB2 H 1 3.289 0.030 . 2 . . . A 98 HIS HB2 . 11468 1 1211 . 1 1 98 98 HIS HB3 H 1 2.615 0.030 . 2 . . . A 98 HIS HB3 . 11468 1 1212 . 1 1 98 98 HIS HD2 H 1 7.011 0.030 . 1 . . . A 98 HIS HD2 . 11468 1 1213 . 1 1 98 98 HIS HE1 H 1 8.644 0.030 . 1 . . . A 98 HIS HE1 . 11468 1 1214 . 1 1 98 98 HIS C C 13 173.608 0.030 . 1 . . . A 98 HIS C . 11468 1 1215 . 1 1 98 98 HIS CA C 13 54.938 0.030 . 1 . . . A 98 HIS CA . 11468 1 1216 . 1 1 98 98 HIS CB C 13 31.560 0.030 . 1 . . . A 98 HIS CB . 11468 1 1217 . 1 1 98 98 HIS CD2 C 13 119.474 0.030 . 1 . . . A 98 HIS CD2 . 11468 1 1218 . 1 1 98 98 HIS CE1 C 13 137.890 0.030 . 1 . . . A 98 HIS CE1 . 11468 1 1219 . 1 1 98 98 HIS N N 15 114.184 0.030 . 1 . . . A 98 HIS N . 11468 1 1220 . 1 1 99 99 ARG H H 1 8.548 0.030 . 1 . . . A 99 ARG H . 11468 1 1221 . 1 1 99 99 ARG HA H 1 2.421 0.030 . 1 . . . A 99 ARG HA . 11468 1 1222 . 1 1 99 99 ARG HB2 H 1 1.328 0.030 . 2 . . . A 99 ARG HB2 . 11468 1 1223 . 1 1 99 99 ARG HB3 H 1 1.072 0.030 . 2 . . . A 99 ARG HB3 . 11468 1 1224 . 1 1 99 99 ARG HG2 H 1 2.038 0.030 . 2 . . . A 99 ARG HG2 . 11468 1 1225 . 1 1 99 99 ARG HG3 H 1 1.334 0.030 . 2 . . . A 99 ARG HG3 . 11468 1 1226 . 1 1 99 99 ARG HD2 H 1 2.860 0.030 . 2 . . . A 99 ARG HD2 . 11468 1 1227 . 1 1 99 99 ARG HD3 H 1 2.804 0.030 . 2 . . . A 99 ARG HD3 . 11468 1 1228 . 1 1 99 99 ARG HE H 1 6.980 0.030 . 1 . . . A 99 ARG HE . 11468 1 1229 . 1 1 99 99 ARG C C 13 174.799 0.030 . 1 . . . A 99 ARG C . 11468 1 1230 . 1 1 99 99 ARG CA C 13 57.001 0.030 . 1 . . . A 99 ARG CA . 11468 1 1231 . 1 1 99 99 ARG CB C 13 27.568 0.030 . 1 . . . A 99 ARG CB . 11468 1 1232 . 1 1 99 99 ARG CG C 13 27.128 0.030 . 1 . . . A 99 ARG CG . 11468 1 1233 . 1 1 99 99 ARG CD C 13 42.786 0.030 . 1 . . . A 99 ARG CD . 11468 1 1234 . 1 1 99 99 ARG N N 15 118.465 0.030 . 1 . . . A 99 ARG N . 11468 1 1235 . 1 1 99 99 ARG NE N 15 84.852 0.030 . 1 . . . A 99 ARG NE . 11468 1 1236 . 1 1 100 100 PHE H H 1 7.283 0.030 . 1 . . . A 100 PHE H . 11468 1 1237 . 1 1 100 100 PHE HA H 1 4.620 0.030 . 1 . . . A 100 PHE HA . 11468 1 1238 . 1 1 100 100 PHE HB2 H 1 1.503 0.030 . 2 . . . A 100 PHE HB2 . 11468 1 1239 . 1 1 100 100 PHE HB3 H 1 0.396 0.030 . 2 . . . A 100 PHE HB3 . 11468 1 1240 . 1 1 100 100 PHE HD1 H 1 6.294 0.030 . 1 . . . A 100 PHE HD1 . 11468 1 1241 . 1 1 100 100 PHE HD2 H 1 6.294 0.030 . 1 . . . A 100 PHE HD2 . 11468 1 1242 . 1 1 100 100 PHE HE1 H 1 5.520 0.030 . 1 . . . A 100 PHE HE1 . 11468 1 1243 . 1 1 100 100 PHE HE2 H 1 5.520 0.030 . 1 . . . A 100 PHE HE2 . 11468 1 1244 . 1 1 100 100 PHE HZ H 1 5.879 0.030 . 1 . . . A 100 PHE HZ . 11468 1 1245 . 1 1 100 100 PHE C C 13 176.376 0.030 . 1 . . . A 100 PHE C . 11468 1 1246 . 1 1 100 100 PHE CA C 13 59.058 0.030 . 1 . . . A 100 PHE CA . 11468 1 1247 . 1 1 100 100 PHE CB C 13 35.715 0.030 . 1 . . . A 100 PHE CB . 11468 1 1248 . 1 1 100 100 PHE CD1 C 13 130.418 0.030 . 1 . . . A 100 PHE CD1 . 11468 1 1249 . 1 1 100 100 PHE CD2 C 13 130.418 0.030 . 1 . . . A 100 PHE CD2 . 11468 1 1250 . 1 1 100 100 PHE CE1 C 13 130.398 0.030 . 1 . . . A 100 PHE CE1 . 11468 1 1251 . 1 1 100 100 PHE CE2 C 13 130.398 0.030 . 1 . . . A 100 PHE CE2 . 11468 1 1252 . 1 1 100 100 PHE CZ C 13 128.709 0.030 . 1 . . . A 100 PHE CZ . 11468 1 1253 . 1 1 100 100 PHE N N 15 117.030 0.030 . 1 . . . A 100 PHE N . 11468 1 1254 . 1 1 101 101 ASP H H 1 7.604 0.030 . 1 . . . A 101 ASP H . 11468 1 1255 . 1 1 101 101 ASP HA H 1 4.368 0.030 . 1 . . . A 101 ASP HA . 11468 1 1256 . 1 1 101 101 ASP HB2 H 1 2.818 0.030 . 1 . . . A 101 ASP HB2 . 11468 1 1257 . 1 1 101 101 ASP HB3 H 1 2.818 0.030 . 1 . . . A 101 ASP HB3 . 11468 1 1258 . 1 1 101 101 ASP C C 13 175.286 0.030 . 1 . . . A 101 ASP C . 11468 1 1259 . 1 1 101 101 ASP CA C 13 56.494 0.030 . 1 . . . A 101 ASP CA . 11468 1 1260 . 1 1 101 101 ASP CB C 13 40.479 0.030 . 1 . . . A 101 ASP CB . 11468 1 1261 . 1 1 101 101 ASP N N 15 114.789 0.030 . 1 . . . A 101 ASP N . 11468 1 1262 . 1 1 102 102 ALA H H 1 6.843 0.030 . 1 . . . A 102 ALA H . 11468 1 1263 . 1 1 102 102 ALA HA H 1 3.989 0.030 . 1 . . . A 102 ALA HA . 11468 1 1264 . 1 1 102 102 ALA HB1 H 1 0.641 0.030 . 1 . . . A 102 ALA HB1 . 11468 1 1265 . 1 1 102 102 ALA HB2 H 1 0.641 0.030 . 1 . . . A 102 ALA HB2 . 11468 1 1266 . 1 1 102 102 ALA HB3 H 1 0.641 0.030 . 1 . . . A 102 ALA HB3 . 11468 1 1267 . 1 1 102 102 ALA C C 13 176.934 0.030 . 1 . . . A 102 ALA C . 11468 1 1268 . 1 1 102 102 ALA CA C 13 52.870 0.030 . 1 . . . A 102 ALA CA . 11468 1 1269 . 1 1 102 102 ALA CB C 13 18.412 0.030 . 1 . . . A 102 ALA CB . 11468 1 1270 . 1 1 102 102 ALA N N 15 117.191 0.030 . 1 . . . A 102 ALA N . 11468 1 1271 . 1 1 103 103 TRP H H 1 8.335 0.030 . 1 . . . A 103 TRP H . 11468 1 1272 . 1 1 103 103 TRP HA H 1 4.913 0.030 . 1 . . . A 103 TRP HA . 11468 1 1273 . 1 1 103 103 TRP HB2 H 1 3.541 0.030 . 2 . . . A 103 TRP HB2 . 11468 1 1274 . 1 1 103 103 TRP HB3 H 1 3.376 0.030 . 2 . . . A 103 TRP HB3 . 11468 1 1275 . 1 1 103 103 TRP HD1 H 1 7.175 0.030 . 1 . . . A 103 TRP HD1 . 11468 1 1276 . 1 1 103 103 TRP HE1 H 1 10.945 0.030 . 1 . . . A 103 TRP HE1 . 11468 1 1277 . 1 1 103 103 TRP HE3 H 1 7.803 0.030 . 1 . . . A 103 TRP HE3 . 11468 1 1278 . 1 1 103 103 TRP HZ2 H 1 7.106 0.030 . 1 . . . A 103 TRP HZ2 . 11468 1 1279 . 1 1 103 103 TRP HZ3 H 1 7.155 0.030 . 1 . . . A 103 TRP HZ3 . 11468 1 1280 . 1 1 103 103 TRP HH2 H 1 7.730 0.030 . 1 . . . A 103 TRP HH2 . 11468 1 1281 . 1 1 103 103 TRP C C 13 176.619 0.030 . 1 . . . A 103 TRP C . 11468 1 1282 . 1 1 103 103 TRP CA C 13 59.924 0.030 . 1 . . . A 103 TRP CA . 11468 1 1283 . 1 1 103 103 TRP CB C 13 29.516 0.030 . 1 . . . A 103 TRP CB . 11468 1 1284 . 1 1 103 103 TRP CD1 C 13 126.992 0.030 . 1 . . . A 103 TRP CD1 . 11468 1 1285 . 1 1 103 103 TRP CE3 C 13 122.494 0.030 . 1 . . . A 103 TRP CE3 . 11468 1 1286 . 1 1 103 103 TRP CZ2 C 13 112.173 0.030 . 1 . . . A 103 TRP CZ2 . 11468 1 1287 . 1 1 103 103 TRP CZ3 C 13 122.424 0.030 . 1 . . . A 103 TRP CZ3 . 11468 1 1288 . 1 1 103 103 TRP CH2 C 13 125.171 0.030 . 1 . . . A 103 TRP CH2 . 11468 1 1289 . 1 1 103 103 TRP N N 15 119.287 0.030 . 1 . . . A 103 TRP N . 11468 1 1290 . 1 1 103 103 TRP NE1 N 15 130.876 0.030 . 1 . . . A 103 TRP NE1 . 11468 1 1291 . 1 1 104 104 TYR H H 1 9.322 0.030 . 1 . . . A 104 TYR H . 11468 1 1292 . 1 1 104 104 TYR HA H 1 4.272 0.030 . 1 . . . A 104 TYR HA . 11468 1 1293 . 1 1 104 104 TYR HB2 H 1 3.318 0.030 . 2 . . . A 104 TYR HB2 . 11468 1 1294 . 1 1 104 104 TYR HB3 H 1 3.190 0.030 . 2 . . . A 104 TYR HB3 . 11468 1 1295 . 1 1 104 104 TYR HD1 H 1 7.261 0.030 . 1 . . . A 104 TYR HD1 . 11468 1 1296 . 1 1 104 104 TYR HD2 H 1 7.261 0.030 . 1 . . . A 104 TYR HD2 . 11468 1 1297 . 1 1 104 104 TYR HE1 H 1 6.926 0.030 . 1 . . . A 104 TYR HE1 . 11468 1 1298 . 1 1 104 104 TYR HE2 H 1 6.926 0.030 . 1 . . . A 104 TYR HE2 . 11468 1 1299 . 1 1 104 104 TYR C C 13 177.866 0.030 . 1 . . . A 104 TYR C . 11468 1 1300 . 1 1 104 104 TYR CA C 13 61.622 0.030 . 1 . . . A 104 TYR CA . 11468 1 1301 . 1 1 104 104 TYR CB C 13 38.095 0.030 . 1 . . . A 104 TYR CB . 11468 1 1302 . 1 1 104 104 TYR CD1 C 13 133.268 0.030 . 1 . . . A 104 TYR CD1 . 11468 1 1303 . 1 1 104 104 TYR CD2 C 13 133.268 0.030 . 1 . . . A 104 TYR CD2 . 11468 1 1304 . 1 1 104 104 TYR CE1 C 13 118.425 0.030 . 1 . . . A 104 TYR CE1 . 11468 1 1305 . 1 1 104 104 TYR CE2 C 13 118.425 0.030 . 1 . . . A 104 TYR CE2 . 11468 1 1306 . 1 1 104 104 TYR N N 15 129.009 0.030 . 1 . . . A 104 TYR N . 11468 1 1307 . 1 1 105 105 GLY H H 1 8.942 0.030 . 1 . . . A 105 GLY H . 11468 1 1308 . 1 1 105 105 GLY HA2 H 1 4.069 0.030 . 2 . . . A 105 GLY HA2 . 11468 1 1309 . 1 1 105 105 GLY HA3 H 1 3.824 0.030 . 2 . . . A 105 GLY HA3 . 11468 1 1310 . 1 1 105 105 GLY C C 13 176.313 0.030 . 1 . . . A 105 GLY C . 11468 1 1311 . 1 1 105 105 GLY CA C 13 47.354 0.030 . 1 . . . A 105 GLY CA . 11468 1 1312 . 1 1 105 105 GLY N N 15 106.647 0.030 . 1 . . . A 105 GLY N . 11468 1 1313 . 1 1 106 106 TRP H H 1 7.272 0.030 . 1 . . . A 106 TRP H . 11468 1 1314 . 1 1 106 106 TRP HA H 1 3.865 0.030 . 1 . . . A 106 TRP HA . 11468 1 1315 . 1 1 106 106 TRP HB2 H 1 3.955 0.030 . 2 . . . A 106 TRP HB2 . 11468 1 1316 . 1 1 106 106 TRP HB3 H 1 2.815 0.030 . 2 . . . A 106 TRP HB3 . 11468 1 1317 . 1 1 106 106 TRP HD1 H 1 6.645 0.030 . 1 . . . A 106 TRP HD1 . 11468 1 1318 . 1 1 106 106 TRP HE1 H 1 10.222 0.030 . 1 . . . A 106 TRP HE1 . 11468 1 1319 . 1 1 106 106 TRP HE3 H 1 7.280 0.030 . 1 . . . A 106 TRP HE3 . 11468 1 1320 . 1 1 106 106 TRP HZ2 H 1 7.468 0.030 . 1 . . . A 106 TRP HZ2 . 11468 1 1321 . 1 1 106 106 TRP HZ3 H 1 7.102 0.030 . 1 . . . A 106 TRP HZ3 . 11468 1 1322 . 1 1 106 106 TRP HH2 H 1 7.350 0.030 . 1 . . . A 106 TRP HH2 . 11468 1 1323 . 1 1 106 106 TRP C C 13 178.434 0.030 . 1 . . . A 106 TRP C . 11468 1 1324 . 1 1 106 106 TRP CA C 13 61.083 0.030 . 1 . . . A 106 TRP CA . 11468 1 1325 . 1 1 106 106 TRP CB C 13 29.243 0.030 . 1 . . . A 106 TRP CB . 11468 1 1326 . 1 1 106 106 TRP CD1 C 13 125.947 0.030 . 1 . . . A 106 TRP CD1 . 11468 1 1327 . 1 1 106 106 TRP CE3 C 13 121.626 0.030 . 1 . . . A 106 TRP CE3 . 11468 1 1328 . 1 1 106 106 TRP CZ2 C 13 115.712 0.030 . 1 . . . A 106 TRP CZ2 . 11468 1 1329 . 1 1 106 106 TRP CZ3 C 13 121.550 0.030 . 1 . . . A 106 TRP CZ3 . 11468 1 1330 . 1 1 106 106 TRP CH2 C 13 124.620 0.030 . 1 . . . A 106 TRP CH2 . 11468 1 1331 . 1 1 106 106 TRP N N 15 119.235 0.030 . 1 . . . A 106 TRP N . 11468 1 1332 . 1 1 106 106 TRP NE1 N 15 131.582 0.030 . 1 . . . A 106 TRP NE1 . 11468 1 1333 . 1 1 107 107 LYS H H 1 8.290 0.030 . 1 . . . A 107 LYS H . 11468 1 1334 . 1 1 107 107 LYS HA H 1 3.434 0.030 . 1 . . . A 107 LYS HA . 11468 1 1335 . 1 1 107 107 LYS HB2 H 1 1.926 0.030 . 1 . . . A 107 LYS HB2 . 11468 1 1336 . 1 1 107 107 LYS HB3 H 1 1.926 0.030 . 1 . . . A 107 LYS HB3 . 11468 1 1337 . 1 1 107 107 LYS HG2 H 1 1.747 0.030 . 2 . . . A 107 LYS HG2 . 11468 1 1338 . 1 1 107 107 LYS HG3 H 1 1.624 0.030 . 2 . . . A 107 LYS HG3 . 11468 1 1339 . 1 1 107 107 LYS HD2 H 1 1.919 0.030 . 2 . . . A 107 LYS HD2 . 11468 1 1340 . 1 1 107 107 LYS HE2 H 1 3.000 0.030 . 1 . . . A 107 LYS HE2 . 11468 1 1341 . 1 1 107 107 LYS HE3 H 1 3.000 0.030 . 1 . . . A 107 LYS HE3 . 11468 1 1342 . 1 1 107 107 LYS C C 13 177.552 0.030 . 1 . . . A 107 LYS C . 11468 1 1343 . 1 1 107 107 LYS CA C 13 59.536 0.030 . 1 . . . A 107 LYS CA . 11468 1 1344 . 1 1 107 107 LYS CB C 13 32.280 0.030 . 1 . . . A 107 LYS CB . 11468 1 1345 . 1 1 107 107 LYS CG C 13 24.977 0.030 . 1 . . . A 107 LYS CG . 11468 1 1346 . 1 1 107 107 LYS CD C 13 29.272 0.030 . 1 . . . A 107 LYS CD . 11468 1 1347 . 1 1 107 107 LYS CE C 13 41.749 0.030 . 1 . . . A 107 LYS CE . 11468 1 1348 . 1 1 107 107 LYS N N 15 121.497 0.030 . 1 . . . A 107 LYS N . 11468 1 1349 . 1 1 108 108 ASN H H 1 7.870 0.030 . 1 . . . A 108 ASN H . 11468 1 1350 . 1 1 108 108 ASN HA H 1 4.367 0.030 . 1 . . . A 108 ASN HA . 11468 1 1351 . 1 1 108 108 ASN HB2 H 1 2.168 0.030 . 2 . . . A 108 ASN HB2 . 11468 1 1352 . 1 1 108 108 ASN HB3 H 1 2.061 0.030 . 2 . . . A 108 ASN HB3 . 11468 1 1353 . 1 1 108 108 ASN HD21 H 1 6.983 0.030 . 2 . . . A 108 ASN HD21 . 11468 1 1354 . 1 1 108 108 ASN HD22 H 1 6.582 0.030 . 2 . . . A 108 ASN HD22 . 11468 1 1355 . 1 1 108 108 ASN C C 13 176.369 0.030 . 1 . . . A 108 ASN C . 11468 1 1356 . 1 1 108 108 ASN CA C 13 54.232 0.030 . 1 . . . A 108 ASN CA . 11468 1 1357 . 1 1 108 108 ASN CB C 13 39.466 0.030 . 1 . . . A 108 ASN CB . 11468 1 1358 . 1 1 108 108 ASN N N 15 110.611 0.030 . 1 . . . A 108 ASN N . 11468 1 1359 . 1 1 108 108 ASN ND2 N 15 111.892 0.030 . 1 . . . A 108 ASN ND2 . 11468 1 1360 . 1 1 109 109 HIS H H 1 6.994 0.030 . 1 . . . A 109 HIS H . 11468 1 1361 . 1 1 109 109 HIS HA H 1 4.851 0.030 . 1 . . . A 109 HIS HA . 11468 1 1362 . 1 1 109 109 HIS HB2 H 1 2.390 0.030 . 2 . . . A 109 HIS HB2 . 11468 1 1363 . 1 1 109 109 HIS HB3 H 1 2.221 0.030 . 2 . . . A 109 HIS HB3 . 11468 1 1364 . 1 1 109 109 HIS HD2 H 1 7.431 0.030 . 1 . . . A 109 HIS HD2 . 11468 1 1365 . 1 1 109 109 HIS HE1 H 1 8.729 0.030 . 1 . . . A 109 HIS HE1 . 11468 1 1366 . 1 1 109 109 HIS C C 13 175.341 0.030 . 1 . . . A 109 HIS C . 11468 1 1367 . 1 1 109 109 HIS CA C 13 55.787 0.030 . 1 . . . A 109 HIS CA . 11468 1 1368 . 1 1 109 109 HIS CB C 13 29.702 0.030 . 1 . . . A 109 HIS CB . 11468 1 1369 . 1 1 109 109 HIS CD2 C 13 120.569 0.030 . 1 . . . A 109 HIS CD2 . 11468 1 1370 . 1 1 109 109 HIS CE1 C 13 137.142 0.030 . 1 . . . A 109 HIS CE1 . 11468 1 1371 . 1 1 109 109 HIS N N 15 110.936 0.030 . 1 . . . A 109 HIS N . 11468 1 1372 . 1 1 110 110 CYS H H 1 7.463 0.030 . 1 . . . A 110 CYS H . 11468 1 1373 . 1 1 110 110 CYS HA H 1 4.804 0.030 . 1 . . . A 110 CYS HA . 11468 1 1374 . 1 1 110 110 CYS HB2 H 1 2.887 0.030 . 2 . . . A 110 CYS HB2 . 11468 1 1375 . 1 1 110 110 CYS HB3 H 1 1.837 0.030 . 2 . . . A 110 CYS HB3 . 11468 1 1376 . 1 1 110 110 CYS C C 13 172.869 0.030 . 1 . . . A 110 CYS C . 11468 1 1377 . 1 1 110 110 CYS CA C 13 53.719 0.030 . 1 . . . A 110 CYS CA . 11468 1 1378 . 1 1 110 110 CYS CB C 13 41.792 0.030 . 1 . . . A 110 CYS CB . 11468 1 1379 . 1 1 110 110 CYS N N 15 115.547 0.030 . 1 . . . A 110 CYS N . 11468 1 1380 . 1 1 111 111 GLN H H 1 8.201 0.030 . 1 . . . A 111 GLN H . 11468 1 1381 . 1 1 111 111 GLN HA H 1 3.945 0.030 . 1 . . . A 111 GLN HA . 11468 1 1382 . 1 1 111 111 GLN HB2 H 1 2.081 0.030 . 2 . . . A 111 GLN HB2 . 11468 1 1383 . 1 1 111 111 GLN HB3 H 1 1.664 0.030 . 2 . . . A 111 GLN HB3 . 11468 1 1384 . 1 1 111 111 GLN HG2 H 1 1.991 0.030 . 2 . . . A 111 GLN HG2 . 11468 1 1385 . 1 1 111 111 GLN HG3 H 1 1.567 0.030 . 2 . . . A 111 GLN HG3 . 11468 1 1386 . 1 1 111 111 GLN HE21 H 1 6.201 0.030 . 2 . . . A 111 GLN HE21 . 11468 1 1387 . 1 1 111 111 GLN HE22 H 1 4.450 0.030 . 2 . . . A 111 GLN HE22 . 11468 1 1388 . 1 1 111 111 GLN C C 13 175.732 0.030 . 1 . . . A 111 GLN C . 11468 1 1389 . 1 1 111 111 GLN CA C 13 54.661 0.030 . 1 . . . A 111 GLN CA . 11468 1 1390 . 1 1 111 111 GLN CB C 13 28.105 0.030 . 1 . . . A 111 GLN CB . 11468 1 1391 . 1 1 111 111 GLN CG C 13 34.216 0.030 . 1 . . . A 111 GLN CG . 11468 1 1392 . 1 1 111 111 GLN N N 15 116.278 0.030 . 1 . . . A 111 GLN N . 11468 1 1393 . 1 1 111 111 GLN NE2 N 15 113.315 0.030 . 1 . . . A 111 GLN NE2 . 11468 1 1394 . 1 1 112 112 GLY H H 1 7.955 0.030 . 1 . . . A 112 GLY H . 11468 1 1395 . 1 1 112 112 GLY HA2 H 1 4.154 0.030 . 2 . . . A 112 GLY HA2 . 11468 1 1396 . 1 1 112 112 GLY HA3 H 1 3.572 0.030 . 2 . . . A 112 GLY HA3 . 11468 1 1397 . 1 1 112 112 GLY C C 13 173.370 0.030 . 1 . . . A 112 GLY C . 11468 1 1398 . 1 1 112 112 GLY CA C 13 44.608 0.030 . 1 . . . A 112 GLY CA . 11468 1 1399 . 1 1 112 112 GLY N N 15 110.591 0.030 . 1 . . . A 112 GLY N . 11468 1 1400 . 1 1 113 113 SER H H 1 8.232 0.030 . 1 . . . A 113 SER H . 11468 1 1401 . 1 1 113 113 SER HA H 1 4.261 0.030 . 1 . . . A 113 SER HA . 11468 1 1402 . 1 1 113 113 SER HB2 H 1 3.809 0.030 . 2 . . . A 113 SER HB2 . 11468 1 1403 . 1 1 113 113 SER HB3 H 1 3.749 0.030 . 2 . . . A 113 SER HB3 . 11468 1 1404 . 1 1 113 113 SER C C 13 174.290 0.030 . 1 . . . A 113 SER C . 11468 1 1405 . 1 1 113 113 SER CA C 13 58.705 0.030 . 1 . . . A 113 SER CA . 11468 1 1406 . 1 1 113 113 SER CB C 13 63.215 0.030 . 1 . . . A 113 SER CB . 11468 1 1407 . 1 1 113 113 SER N N 15 119.142 0.030 . 1 . . . A 113 SER N . 11468 1 1408 . 1 1 114 114 LEU H H 1 8.489 0.030 . 1 . . . A 114 LEU H . 11468 1 1409 . 1 1 114 114 LEU HA H 1 4.686 0.030 . 1 . . . A 114 LEU HA . 11468 1 1410 . 1 1 114 114 LEU HB2 H 1 1.551 0.030 . 2 . . . A 114 LEU HB2 . 11468 1 1411 . 1 1 114 114 LEU HB3 H 1 1.175 0.030 . 2 . . . A 114 LEU HB3 . 11468 1 1412 . 1 1 114 114 LEU HG H 1 1.673 0.030 . 1 . . . A 114 LEU HG . 11468 1 1413 . 1 1 114 114 LEU HD11 H 1 0.783 0.030 . 1 . . . A 114 LEU HD11 . 11468 1 1414 . 1 1 114 114 LEU HD12 H 1 0.783 0.030 . 1 . . . A 114 LEU HD12 . 11468 1 1415 . 1 1 114 114 LEU HD13 H 1 0.783 0.030 . 1 . . . A 114 LEU HD13 . 11468 1 1416 . 1 1 114 114 LEU HD21 H 1 0.825 0.030 . 1 . . . A 114 LEU HD21 . 11468 1 1417 . 1 1 114 114 LEU HD22 H 1 0.825 0.030 . 1 . . . A 114 LEU HD22 . 11468 1 1418 . 1 1 114 114 LEU HD23 H 1 0.825 0.030 . 1 . . . A 114 LEU HD23 . 11468 1 1419 . 1 1 114 114 LEU C C 13 179.896 0.030 . 1 . . . A 114 LEU C . 11468 1 1420 . 1 1 114 114 LEU CA C 13 53.277 0.030 . 1 . . . A 114 LEU CA . 11468 1 1421 . 1 1 114 114 LEU CB C 13 42.918 0.030 . 1 . . . A 114 LEU CB . 11468 1 1422 . 1 1 114 114 LEU CG C 13 26.458 0.030 . 1 . . . A 114 LEU CG . 11468 1 1423 . 1 1 114 114 LEU CD1 C 13 26.276 0.030 . 2 . . . A 114 LEU CD1 . 11468 1 1424 . 1 1 114 114 LEU CD2 C 13 22.773 0.030 . 2 . . . A 114 LEU CD2 . 11468 1 1425 . 1 1 114 114 LEU N N 15 124.431 0.030 . 1 . . . A 114 LEU N . 11468 1 1426 . 1 1 115 115 PRO HA H 1 4.267 0.030 . 1 . . . A 115 PRO HA . 11468 1 1427 . 1 1 115 115 PRO HB2 H 1 1.432 0.030 . 2 . . . A 115 PRO HB2 . 11468 1 1428 . 1 1 115 115 PRO HB3 H 1 2.088 0.030 . 2 . . . A 115 PRO HB3 . 11468 1 1429 . 1 1 115 115 PRO HG2 H 1 1.911 0.030 . 2 . . . A 115 PRO HG2 . 11468 1 1430 . 1 1 115 115 PRO HG3 H 1 1.810 0.030 . 2 . . . A 115 PRO HG3 . 11468 1 1431 . 1 1 115 115 PRO HD2 H 1 3.662 0.030 . 2 . . . A 115 PRO HD2 . 11468 1 1432 . 1 1 115 115 PRO HD3 H 1 3.545 0.030 . 2 . . . A 115 PRO HD3 . 11468 1 1433 . 1 1 115 115 PRO C C 13 175.534 0.030 . 1 . . . A 115 PRO C . 11468 1 1434 . 1 1 115 115 PRO CA C 13 63.001 0.030 . 1 . . . A 115 PRO CA . 11468 1 1435 . 1 1 115 115 PRO CB C 13 31.909 0.030 . 1 . . . A 115 PRO CB . 11468 1 1436 . 1 1 115 115 PRO CG C 13 27.792 0.030 . 1 . . . A 115 PRO CG . 11468 1 1437 . 1 1 115 115 PRO CD C 13 50.461 0.030 . 1 . . . A 115 PRO CD . 11468 1 1438 . 1 1 116 116 ASP H H 1 8.574 0.030 . 1 . . . A 116 ASP H . 11468 1 1439 . 1 1 116 116 ASP HA H 1 4.615 0.030 . 1 . . . A 116 ASP HA . 11468 1 1440 . 1 1 116 116 ASP HB2 H 1 2.841 0.030 . 2 . . . A 116 ASP HB2 . 11468 1 1441 . 1 1 116 116 ASP HB3 H 1 2.674 0.030 . 2 . . . A 116 ASP HB3 . 11468 1 1442 . 1 1 116 116 ASP C C 13 177.080 0.030 . 1 . . . A 116 ASP C . 11468 1 1443 . 1 1 116 116 ASP CA C 13 53.811 0.030 . 1 . . . A 116 ASP CA . 11468 1 1444 . 1 1 116 116 ASP CB C 13 40.809 0.030 . 1 . . . A 116 ASP CB . 11468 1 1445 . 1 1 116 116 ASP N N 15 122.733 0.030 . 1 . . . A 116 ASP N . 11468 1 1446 . 1 1 117 117 ILE H H 1 9.044 0.030 . 1 . . . A 117 ILE H . 11468 1 1447 . 1 1 117 117 ILE HA H 1 4.712 0.030 . 1 . . . A 117 ILE HA . 11468 1 1448 . 1 1 117 117 ILE HB H 1 2.126 0.030 . 1 . . . A 117 ILE HB . 11468 1 1449 . 1 1 117 117 ILE HG12 H 1 1.281 0.030 . 2 . . . A 117 ILE HG12 . 11468 1 1450 . 1 1 117 117 ILE HG13 H 1 0.952 0.030 . 2 . . . A 117 ILE HG13 . 11468 1 1451 . 1 1 117 117 ILE HG21 H 1 0.635 0.030 . 1 . . . A 117 ILE HG21 . 11468 1 1452 . 1 1 117 117 ILE HG22 H 1 0.635 0.030 . 1 . . . A 117 ILE HG22 . 11468 1 1453 . 1 1 117 117 ILE HG23 H 1 0.635 0.030 . 1 . . . A 117 ILE HG23 . 11468 1 1454 . 1 1 117 117 ILE HD11 H 1 0.778 0.030 . 1 . . . A 117 ILE HD11 . 11468 1 1455 . 1 1 117 117 ILE HD12 H 1 0.778 0.030 . 1 . . . A 117 ILE HD12 . 11468 1 1456 . 1 1 117 117 ILE HD13 H 1 0.778 0.030 . 1 . . . A 117 ILE HD13 . 11468 1 1457 . 1 1 117 117 ILE C C 13 177.661 0.030 . 1 . . . A 117 ILE C . 11468 1 1458 . 1 1 117 117 ILE CA C 13 60.208 0.030 . 1 . . . A 117 ILE CA . 11468 1 1459 . 1 1 117 117 ILE CB C 13 38.578 0.030 . 1 . . . A 117 ILE CB . 11468 1 1460 . 1 1 117 117 ILE CG1 C 13 25.894 0.030 . 1 . . . A 117 ILE CG1 . 11468 1 1461 . 1 1 117 117 ILE CG2 C 13 17.333 0.030 . 1 . . . A 117 ILE CG2 . 11468 1 1462 . 1 1 117 117 ILE CD1 C 13 15.112 0.030 . 1 . . . A 117 ILE CD1 . 11468 1 1463 . 1 1 117 117 ILE N N 15 120.589 0.030 . 1 . . . A 117 ILE N . 11468 1 1464 . 1 1 118 118 SER H H 1 8.674 0.030 . 1 . . . A 118 SER H . 11468 1 1465 . 1 1 118 118 SER HA H 1 4.134 0.030 . 1 . . . A 118 SER HA . 11468 1 1466 . 1 1 118 118 SER HB2 H 1 3.999 0.030 . 1 . . . A 118 SER HB2 . 11468 1 1467 . 1 1 118 118 SER HB3 H 1 3.999 0.030 . 1 . . . A 118 SER HB3 . 11468 1 1468 . 1 1 118 118 SER C C 13 175.467 0.030 . 1 . . . A 118 SER C . 11468 1 1469 . 1 1 118 118 SER CA C 13 61.993 0.030 . 1 . . . A 118 SER CA . 11468 1 1470 . 1 1 118 118 SER CB C 13 62.977 0.030 . 1 . . . A 118 SER CB . 11468 1 1471 . 1 1 118 118 SER N N 15 121.736 0.030 . 1 . . . A 118 SER N . 11468 1 1472 . 1 1 119 119 SER H H 1 8.354 0.030 . 1 . . . A 119 SER H . 11468 1 1473 . 1 1 119 119 SER HA H 1 4.601 0.030 . 1 . . . A 119 SER HA . 11468 1 1474 . 1 1 119 119 SER HB2 H 1 3.954 0.030 . 2 . . . A 119 SER HB2 . 11468 1 1475 . 1 1 119 119 SER HB3 H 1 3.897 0.030 . 2 . . . A 119 SER HB3 . 11468 1 1476 . 1 1 119 119 SER C C 13 174.319 0.030 . 1 . . . A 119 SER C . 11468 1 1477 . 1 1 119 119 SER CA C 13 58.748 0.030 . 1 . . . A 119 SER CA . 11468 1 1478 . 1 1 119 119 SER CB C 13 63.388 0.030 . 1 . . . A 119 SER CB . 11468 1 1479 . 1 1 119 119 SER N N 15 115.896 0.030 . 1 . . . A 119 SER N . 11468 1 1480 . 1 1 120 120 CYS H H 1 7.602 0.030 . 1 . . . A 120 CYS H . 11468 1 1481 . 1 1 120 120 CYS HA H 1 4.651 0.030 . 1 . . . A 120 CYS HA . 11468 1 1482 . 1 1 120 120 CYS HB2 H 1 3.021 0.030 . 2 . . . A 120 CYS HB2 . 11468 1 1483 . 1 1 120 120 CYS HB3 H 1 2.831 0.030 . 2 . . . A 120 CYS HB3 . 11468 1 1484 . 1 1 120 120 CYS C C 13 175.210 0.030 . 1 . . . A 120 CYS C . 11468 1 1485 . 1 1 120 120 CYS CA C 13 52.287 0.030 . 1 . . . A 120 CYS CA . 11468 1 1486 . 1 1 120 120 CYS CB C 13 34.844 0.030 . 1 . . . A 120 CYS CB . 11468 1 1487 . 1 1 120 120 CYS N N 15 123.950 0.030 . 1 . . . A 120 CYS N . 11468 1 stop_ save_