data_52051 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52051 _Entry.Title ; Backbone resonance assignments for UBE2T ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-21 _Entry.Accession_date 2023-07-21 _Entry.Last_release_date 2023-07-21 _Entry.Original_release_date 2023-07-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone resonance assignment of the N-terminal region of UBE2T' _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.ORCID _Entry_author.Entry_ID 1 Qi Wei . . . . 52051 2 Congbao Kang . . . . 52051 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52051 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 52051 '15N chemical shifts' 132 52051 '1H chemical shifts' 347 52051 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 2 . . 2023-11-22 2023-07-21 update BMRB 'update entry citation' 52051 1 . . 2023-09-30 2023-07-21 original author 'original release' 52051 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52051 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37773242 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 15N and 13C resonance assignments for an E2 ubiquitin conjugating enzyme-UBE2T ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 2 _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 269 _Citation.Page_last 274 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qiwei Huang Q. . . . 52051 1 2 'Hui Qi' Ng H. Q. . . 52051 1 3 'Yong Yao' Loh Y. Y. . . 52051 1 4 Zhiyuan Ke Z. . . . 52051 1 5 'Wan Hsin' Lim W. H. . . 52051 1 6 CongBao Kang C. . . . 52051 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 52051 1 'Drug discovery' 52051 1 'Protein dynamics' 52051 1 UBE2T 52051 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52051 _Assembly.ID 1 _Assembly.Name UBE2T _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 UBE2T 1 $entity_1 . . yes native no no . . . 52051 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52051 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQRASRLKRELHMLATEPPP GITCWQDKDQMDDLRAQILG GANTPYEKGVFKLEVIIPER YPFEPPQIRFLTPIYHPNID SAGRICLDVLKLPPKGAWRP SLNIATVLTSIQLLMSEPNP DDPLMADISSEFKYNKPAFL KNARQWTEKHARQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MET . 52051 1 2 . GLN . 52051 1 3 . ARG . 52051 1 4 . ALA . 52051 1 5 . SER . 52051 1 6 . ARG . 52051 1 7 . LEU . 52051 1 8 . LYS . 52051 1 9 . ARG . 52051 1 10 . GLU . 52051 1 11 . LEU . 52051 1 12 . HIS . 52051 1 13 . MET . 52051 1 14 . LEU . 52051 1 15 . ALA . 52051 1 16 . THR . 52051 1 17 . GLU . 52051 1 18 . PRO . 52051 1 19 . PRO . 52051 1 20 . PRO . 52051 1 21 . GLY . 52051 1 22 . ILE . 52051 1 23 . THR . 52051 1 24 . CYS . 52051 1 25 . TRP . 52051 1 26 . GLN . 52051 1 27 . ASP . 52051 1 28 . LYS . 52051 1 29 . ASP . 52051 1 30 . GLN . 52051 1 31 . MET . 52051 1 32 . ASP . 52051 1 33 . ASP . 52051 1 34 . LEU . 52051 1 35 . ARG . 52051 1 36 . ALA . 52051 1 37 . GLN . 52051 1 38 . ILE . 52051 1 39 . LEU . 52051 1 40 . GLY . 52051 1 41 . GLY . 52051 1 42 . ALA . 52051 1 43 . ASN . 52051 1 44 . THR . 52051 1 45 . PRO . 52051 1 46 . TYR . 52051 1 47 . GLU . 52051 1 48 . LYS . 52051 1 49 . GLY . 52051 1 50 . VAL . 52051 1 51 . PHE . 52051 1 52 . LYS . 52051 1 53 . LEU . 52051 1 54 . GLU . 52051 1 55 . VAL . 52051 1 56 . ILE . 52051 1 57 . ILE . 52051 1 58 . PRO . 52051 1 59 . GLU . 52051 1 60 . ARG . 52051 1 61 . TYR . 52051 1 62 . PRO . 52051 1 63 . PHE . 52051 1 64 . GLU . 52051 1 65 . PRO . 52051 1 66 . PRO . 52051 1 67 . GLN . 52051 1 68 . ILE . 52051 1 69 . ARG . 52051 1 70 . PHE . 52051 1 71 . LEU . 52051 1 72 . THR . 52051 1 73 . PRO . 52051 1 74 . ILE . 52051 1 75 . TYR . 52051 1 76 . HIS . 52051 1 77 . PRO . 52051 1 78 . ASN . 52051 1 79 . ILE . 52051 1 80 . ASP . 52051 1 81 . SER . 52051 1 82 . ALA . 52051 1 83 . GLY . 52051 1 84 . ARG . 52051 1 85 . ILE . 52051 1 86 . CYS . 52051 1 87 . LEU . 52051 1 88 . ASP . 52051 1 89 . VAL . 52051 1 90 . LEU . 52051 1 91 . LYS . 52051 1 92 . LEU . 52051 1 93 . PRO . 52051 1 94 . PRO . 52051 1 95 . LYS . 52051 1 96 . GLY . 52051 1 97 . ALA . 52051 1 98 . TRP . 52051 1 99 . ARG . 52051 1 100 . PRO . 52051 1 101 . SER . 52051 1 102 . LEU . 52051 1 103 . ASN . 52051 1 104 . ILE . 52051 1 105 . ALA . 52051 1 106 . THR . 52051 1 107 . VAL . 52051 1 108 . LEU . 52051 1 109 . THR . 52051 1 110 . SER . 52051 1 111 . ILE . 52051 1 112 . GLN . 52051 1 113 . LEU . 52051 1 114 . LEU . 52051 1 115 . MET . 52051 1 116 . SER . 52051 1 117 . GLU . 52051 1 118 . PRO . 52051 1 119 . ASN . 52051 1 120 . PRO . 52051 1 121 . ASP . 52051 1 122 . ASP . 52051 1 123 . PRO . 52051 1 124 . LEU . 52051 1 125 . MET . 52051 1 126 . ALA . 52051 1 127 . ASP . 52051 1 128 . ILE . 52051 1 129 . SER . 52051 1 130 . SER . 52051 1 131 . GLU . 52051 1 132 . PHE . 52051 1 133 . LYS . 52051 1 134 . TYR . 52051 1 135 . ASN . 52051 1 136 . LYS . 52051 1 137 . PRO . 52051 1 138 . ALA . 52051 1 139 . PHE . 52051 1 140 . LEU . 52051 1 141 . LYS . 52051 1 142 . ASN . 52051 1 143 . ALA . 52051 1 144 . ARG . 52051 1 145 . GLN . 52051 1 146 . TRP . 52051 1 147 . THR . 52051 1 148 . GLU . 52051 1 149 . LYS . 52051 1 150 . HIS . 52051 1 151 . ALA . 52051 1 152 . ARG . 52051 1 153 . GLN . 52051 1 154 . LYS . 52051 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 . MET 1 1 52051 1 . GLN 2 2 52051 1 . ARG 3 3 52051 1 . ALA 4 4 52051 1 . SER 5 5 52051 1 . ARG 6 6 52051 1 . LEU 7 7 52051 1 . LYS 8 8 52051 1 . ARG 9 9 52051 1 . GLU 10 10 52051 1 . LEU 11 11 52051 1 . HIS 12 12 52051 1 . MET 13 13 52051 1 . LEU 14 14 52051 1 . ALA 15 15 52051 1 . THR 16 16 52051 1 . GLU 17 17 52051 1 . PRO 18 18 52051 1 . PRO 19 19 52051 1 . PRO 20 20 52051 1 . GLY 21 21 52051 1 . ILE 22 22 52051 1 . THR 23 23 52051 1 . CYS 24 24 52051 1 . TRP 25 25 52051 1 . GLN 26 26 52051 1 . ASP 27 27 52051 1 . LYS 28 28 52051 1 . ASP 29 29 52051 1 . GLN 30 30 52051 1 . MET 31 31 52051 1 . ASP 32 32 52051 1 . ASP 33 33 52051 1 . LEU 34 34 52051 1 . ARG 35 35 52051 1 . ALA 36 36 52051 1 . GLN 37 37 52051 1 . ILE 38 38 52051 1 . LEU 39 39 52051 1 . GLY 40 40 52051 1 . GLY 41 41 52051 1 . ALA 42 42 52051 1 . ASN 43 43 52051 1 . THR 44 44 52051 1 . PRO 45 45 52051 1 . TYR 46 46 52051 1 . GLU 47 47 52051 1 . LYS 48 48 52051 1 . GLY 49 49 52051 1 . VAL 50 50 52051 1 . PHE 51 51 52051 1 . LYS 52 52 52051 1 . LEU 53 53 52051 1 . GLU 54 54 52051 1 . VAL 55 55 52051 1 . ILE 56 56 52051 1 . ILE 57 57 52051 1 . PRO 58 58 52051 1 . GLU 59 59 52051 1 . ARG 60 60 52051 1 . TYR 61 61 52051 1 . PRO 62 62 52051 1 . PHE 63 63 52051 1 . GLU 64 64 52051 1 . PRO 65 65 52051 1 . PRO 66 66 52051 1 . GLN 67 67 52051 1 . ILE 68 68 52051 1 . ARG 69 69 52051 1 . PHE 70 70 52051 1 . LEU 71 71 52051 1 . THR 72 72 52051 1 . PRO 73 73 52051 1 . ILE 74 74 52051 1 . TYR 75 75 52051 1 . HIS 76 76 52051 1 . PRO 77 77 52051 1 . ASN 78 78 52051 1 . ILE 79 79 52051 1 . ASP 80 80 52051 1 . SER 81 81 52051 1 . ALA 82 82 52051 1 . GLY 83 83 52051 1 . ARG 84 84 52051 1 . ILE 85 85 52051 1 . CYS 86 86 52051 1 . LEU 87 87 52051 1 . ASP 88 88 52051 1 . VAL 89 89 52051 1 . LEU 90 90 52051 1 . LYS 91 91 52051 1 . LEU 92 92 52051 1 . PRO 93 93 52051 1 . PRO 94 94 52051 1 . LYS 95 95 52051 1 . GLY 96 96 52051 1 . ALA 97 97 52051 1 . TRP 98 98 52051 1 . ARG 99 99 52051 1 . PRO 100 100 52051 1 . SER 101 101 52051 1 . LEU 102 102 52051 1 . ASN 103 103 52051 1 . ILE 104 104 52051 1 . ALA 105 105 52051 1 . THR 106 106 52051 1 . VAL 107 107 52051 1 . LEU 108 108 52051 1 . THR 109 109 52051 1 . SER 110 110 52051 1 . ILE 111 111 52051 1 . GLN 112 112 52051 1 . LEU 113 113 52051 1 . LEU 114 114 52051 1 . MET 115 115 52051 1 . SER 116 116 52051 1 . GLU 117 117 52051 1 . PRO 118 118 52051 1 . ASN 119 119 52051 1 . PRO 120 120 52051 1 . ASP 121 121 52051 1 . ASP 122 122 52051 1 . PRO 123 123 52051 1 . LEU 124 124 52051 1 . MET 125 125 52051 1 . ALA 126 126 52051 1 . ASP 127 127 52051 1 . ILE 128 128 52051 1 . SER 129 129 52051 1 . SER 130 130 52051 1 . GLU 131 131 52051 1 . PHE 132 132 52051 1 . LYS 133 133 52051 1 . TYR 134 134 52051 1 . ASN 135 135 52051 1 . LYS 136 136 52051 1 . PRO 137 137 52051 1 . ALA 138 138 52051 1 . PHE 139 139 52051 1 . LEU 140 140 52051 1 . LYS 141 141 52051 1 . ASN 142 142 52051 1 . ALA 143 143 52051 1 . ARG 144 144 52051 1 . GLN 145 145 52051 1 . TRP 146 146 52051 1 . THR 147 147 52051 1 . GLU 148 148 52051 1 . LYS 149 149 52051 1 . HIS 150 150 52051 1 . ALA 151 151 52051 1 . ARG 152 152 52051 1 . GLN 153 153 52051 1 . LYS 154 154 52051 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52051 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52051 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52051 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3_ . . plasmid . . pET15b . . . 52051 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52051 _Sample.ID 1 _Sample.Name '13C/15N UBE2T' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-1 mM in 20 mM sodium phosphate, pH6.5, 150 mM NaCl, 1 mM DTT' _Sample.Aggregate_sample_number 1 _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 UBE2T '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 52051 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52051 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52051 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52051 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 52051 _Sample_condition_list.ID 1 _Sample_condition_list.Name Buffer _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' 0.15 . M 52051 1 pH 6.5 . pH 52051 1 pressure 1 . atm 52051 1 temperature 298 . K 52051 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52051 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52051 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52051 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52051 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52051 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52051 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52051 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52051 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52051 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52051 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 3 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 7 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52051 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52051 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 52051 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52051 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52051 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52051 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UBE2T _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '2D 1H-15N HSQC' . . . 52051 1 2 '3D HNCACB' . . . 52051 1 5 '3D HNCO' . . . 52051 1 7 '3D HBHA(CO)NH' . . . 52051 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52051 1 4 $software_4 . . 52051 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 GLN HA H 1 4.893 0.020 . 1 . . . . . 2 GLN HA . 52051 1 2 . 1 . 1 2 2 GLN C C 13 177.775 0.400 . 1 . . . . . 2 GLN C . 52051 1 3 . 1 . 1 3 3 ARG H H 1 8.374 0.020 . 1 . . . . . 3 ARG H . 52051 1 4 . 1 . 1 3 3 ARG C C 13 177.144 0.400 . 1 . . . . . 3 ARG C . 52051 1 5 . 1 . 1 3 3 ARG CA C 13 60.207 0.400 . 1 . . . . . 3 ARG CA . 52051 1 6 . 1 . 1 3 3 ARG CB C 13 31.747 0.400 . 1 . . . . . 3 ARG CB . 52051 1 7 . 1 . 1 3 3 ARG N N 15 123.232 0.400 . 1 . . . . . 3 ARG N . 52051 1 8 . 1 . 1 4 4 ALA H H 1 8.288 0.020 . 1 . . . . . 4 ALA H . 52051 1 9 . 1 . 1 4 4 ALA HA H 1 4.089 0.020 . 1 . . . . . 4 ALA HA . 52051 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.529 0.020 . 1 . . . . . 4 ALA HB1 . 52051 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.529 0.020 . 1 . . . . . 4 ALA HB2 . 52051 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.529 0.020 . 1 . . . . . 4 ALA HB3 . 52051 1 13 . 1 . 1 4 4 ALA C C 13 180.116 0.400 . 1 . . . . . 4 ALA C . 52051 1 14 . 1 . 1 4 4 ALA CA C 13 55.620 0.400 . 1 . . . . . 4 ALA CA . 52051 1 15 . 1 . 1 4 4 ALA CB C 13 18.350 0.400 . 1 . . . . . 4 ALA CB . 52051 1 16 . 1 . 1 4 4 ALA N N 15 120.204 0.400 . 1 . . . . . 4 ALA N . 52051 1 17 . 1 . 1 5 5 SER H H 1 8.093 0.020 . 1 . . . . . 5 SER H . 52051 1 18 . 1 . 1 5 5 SER HA H 1 4.346 0.020 . 1 . . . . . 5 SER HA . 52051 1 19 . 1 . 1 5 5 SER C C 13 177.122 0.400 . 1 . . . . . 5 SER C . 52051 1 20 . 1 . 1 5 5 SER CA C 13 61.323 0.400 . 1 . . . . . 5 SER CA . 52051 1 21 . 1 . 1 5 5 SER CB C 13 62.688 0.400 . 1 . . . . . 5 SER CB . 52051 1 22 . 1 . 1 5 5 SER N N 15 113.126 0.400 . 1 . . . . . 5 SER N . 52051 1 23 . 1 . 1 6 6 ARG H H 1 8.066 0.020 . 1 . . . . . 6 ARG H . 52051 1 24 . 1 . 1 6 6 ARG HA H 1 4.265 0.020 . 1 . . . . . 6 ARG HA . 52051 1 25 . 1 . 1 6 6 ARG HB3 H 1 2.162 0.020 . 2 . . . . . 6 ARG HB3 . 52051 1 26 . 1 . 1 6 6 ARG C C 13 178.193 0.400 . 1 . . . . . 6 ARG C . 52051 1 27 . 1 . 1 6 6 ARG CA C 13 58.898 0.400 . 1 . . . . . 6 ARG CA . 52051 1 28 . 1 . 1 6 6 ARG CB C 13 32.663 0.400 . 1 . . . . . 6 ARG CB . 52051 1 29 . 1 . 1 6 6 ARG N N 15 123.100 0.400 . 1 . . . . . 6 ARG N . 52051 1 30 . 1 . 1 7 7 LEU H H 1 8.763 0.020 . 1 . . . . . 7 LEU H . 52051 1 31 . 1 . 1 7 7 LEU HA H 1 4.081 0.020 . 1 . . . . . 7 LEU HA . 52051 1 32 . 1 . 1 7 7 LEU HB3 H 1 1.874 0.020 . 2 . . . . . 7 LEU HB3 . 52051 1 33 . 1 . 1 7 7 LEU C C 13 178.322 0.400 . 1 . . . . . 7 LEU C . 52051 1 34 . 1 . 1 7 7 LEU CA C 13 58.228 0.400 . 1 . . . . . 7 LEU CA . 52051 1 35 . 1 . 1 7 7 LEU CB C 13 42.209 0.400 . 1 . . . . . 7 LEU CB . 52051 1 36 . 1 . 1 7 7 LEU N N 15 119.776 0.400 . 1 . . . . . 7 LEU N . 52051 1 37 . 1 . 1 8 8 LYS H H 1 8.219 0.020 . 1 . . . . . 8 LYS H . 52051 1 38 . 1 . 1 8 8 LYS HA H 1 3.994 0.020 . 1 . . . . . 8 LYS HA . 52051 1 39 . 1 . 1 8 8 LYS HB3 H 1 1.955 0.020 . 2 . . . . . 8 LYS HB3 . 52051 1 40 . 1 . 1 8 8 LYS C C 13 179.812 0.400 . 1 . . . . . 8 LYS C . 52051 1 41 . 1 . 1 8 8 LYS CA C 13 60.276 0.400 . 1 . . . . . 8 LYS CA . 52051 1 42 . 1 . 1 8 8 LYS CB C 13 32.477 0.400 . 1 . . . . . 8 LYS CB . 52051 1 43 . 1 . 1 8 8 LYS N N 15 118.210 0.400 . 1 . . . . . 8 LYS N . 52051 1 44 . 1 . 1 9 9 ARG H H 1 7.604 0.020 . 1 . . . . . 9 ARG H . 52051 1 45 . 1 . 1 9 9 ARG HA H 1 4.309 0.020 . 1 . . . . . 9 ARG HA . 52051 1 46 . 1 . 1 9 9 ARG HB3 H 1 2.083 0.020 . 2 . . . . . 9 ARG HB3 . 52051 1 47 . 1 . 1 9 9 ARG C C 13 179.327 0.400 . 1 . . . . . 9 ARG C . 52051 1 48 . 1 . 1 9 9 ARG CA C 13 59.488 0.400 . 1 . . . . . 9 ARG CA . 52051 1 49 . 1 . 1 9 9 ARG CB C 13 30.114 0.400 . 1 . . . . . 9 ARG CB . 52051 1 50 . 1 . 1 9 9 ARG N N 15 119.172 0.400 . 1 . . . . . 9 ARG N . 52051 1 51 . 1 . 1 10 10 GLU H H 1 8.890 0.020 . 1 . . . . . 10 GLU H . 52051 1 52 . 1 . 1 10 10 GLU HA H 1 4.129 0.020 . 1 . . . . . 10 GLU HA . 52051 1 53 . 1 . 1 10 10 GLU C C 13 179.873 0.400 . 1 . . . . . 10 GLU C . 52051 1 54 . 1 . 1 10 10 GLU CA C 13 61.760 0.400 . 1 . . . . . 10 GLU CA . 52051 1 55 . 1 . 1 10 10 GLU CB C 13 32.840 0.400 . 1 . . . . . 10 GLU CB . 52051 1 56 . 1 . 1 10 10 GLU N N 15 120.389 0.400 . 1 . . . . . 10 GLU N . 52051 1 57 . 1 . 1 11 11 LEU H H 1 9.044 0.020 . 1 . . . . . 11 LEU H . 52051 1 58 . 1 . 1 11 11 LEU HA H 1 3.498 0.020 . 1 . . . . . 11 LEU HA . 52051 1 59 . 1 . 1 11 11 LEU C C 13 179.940 0.400 . 1 . . . . . 11 LEU C . 52051 1 60 . 1 . 1 11 11 LEU CA C 13 58.132 0.400 . 1 . . . . . 11 LEU CA . 52051 1 61 . 1 . 1 11 11 LEU CB C 13 40.655 0.400 . 1 . . . . . 11 LEU CB . 52051 1 62 . 1 . 1 11 11 LEU N N 15 118.868 0.400 . 1 . . . . . 11 LEU N . 52051 1 63 . 1 . 1 12 12 HIS H H 1 8.028 0.020 . 1 . . . . . 12 HIS H . 52051 1 64 . 1 . 1 12 12 HIS HA H 1 4.464 0.020 . 1 . . . . . 12 HIS HA . 52051 1 65 . 1 . 1 12 12 HIS HB3 H 1 3.208 0.020 . 2 . . . . . 12 HIS HB3 . 52051 1 66 . 1 . 1 12 12 HIS C C 13 178.826 0.400 . 1 . . . . . 12 HIS C . 52051 1 67 . 1 . 1 12 12 HIS CA C 13 59.960 0.400 . 1 . . . . . 12 HIS CA . 52051 1 68 . 1 . 1 12 12 HIS CB C 13 29.869 0.400 . 1 . . . . . 12 HIS CB . 52051 1 69 . 1 . 1 12 12 HIS N N 15 119.935 0.400 . 1 . . . . . 12 HIS N . 52051 1 70 . 1 . 1 13 13 MET H H 1 8.167 0.020 . 1 . . . . . 13 MET H . 52051 1 71 . 1 . 1 13 13 MET HA H 1 4.133 0.020 . 1 . . . . . 13 MET HA . 52051 1 72 . 1 . 1 13 13 MET C C 13 178.639 0.400 . 1 . . . . . 13 MET C . 52051 1 73 . 1 . 1 13 13 MET CA C 13 58.559 0.400 . 1 . . . . . 13 MET CA . 52051 1 74 . 1 . 1 13 13 MET CB C 13 30.319 0.400 . 1 . . . . . 13 MET CB . 52051 1 75 . 1 . 1 13 13 MET N N 15 120.866 0.400 . 1 . . . . . 13 MET N . 52051 1 76 . 1 . 1 14 14 LEU H H 1 8.397 0.020 . 1 . . . . . 14 LEU H . 52051 1 77 . 1 . 1 14 14 LEU HA H 1 3.948 0.020 . 1 . . . . . 14 LEU HA . 52051 1 78 . 1 . 1 14 14 LEU HB3 H 1 1.927 0.020 . 2 . . . . . 14 LEU HB3 . 52051 1 79 . 1 . 1 14 14 LEU C C 13 177.493 0.400 . 1 . . . . . 14 LEU C . 52051 1 80 . 1 . 1 14 14 LEU CA C 13 57.915 0.400 . 1 . . . . . 14 LEU CA . 52051 1 81 . 1 . 1 14 14 LEU CB C 13 42.710 0.400 . 1 . . . . . 14 LEU CB . 52051 1 82 . 1 . 1 14 14 LEU N N 15 120.342 0.400 . 1 . . . . . 14 LEU N . 52051 1 83 . 1 . 1 15 15 ALA H H 1 7.780 0.020 . 1 . . . . . 15 ALA H . 52051 1 84 . 1 . 1 15 15 ALA HA H 1 4.453 0.020 . 1 . . . . . 15 ALA HA . 52051 1 85 . 1 . 1 15 15 ALA HB1 H 1 1.634 0.020 . 1 . . . . . 15 ALA HB1 . 52051 1 86 . 1 . 1 15 15 ALA HB2 H 1 1.634 0.020 . 1 . . . . . 15 ALA HB2 . 52051 1 87 . 1 . 1 15 15 ALA HB3 H 1 1.634 0.020 . 1 . . . . . 15 ALA HB3 . 52051 1 88 . 1 . 1 15 15 ALA C C 13 179.843 0.400 . 1 . . . . . 15 ALA C . 52051 1 89 . 1 . 1 15 15 ALA CA C 13 54.013 0.400 . 1 . . . . . 15 ALA CA . 52051 1 90 . 1 . 1 15 15 ALA CB C 13 19.356 0.400 . 1 . . . . . 15 ALA CB . 52051 1 91 . 1 . 1 15 15 ALA N N 15 118.136 0.400 . 1 . . . . . 15 ALA N . 52051 1 92 . 1 . 1 16 16 THR H H 1 7.602 0.020 . 1 . . . . . 16 THR H . 52051 1 93 . 1 . 1 16 16 THR HA H 1 4.303 0.020 . 1 . . . . . 16 THR HA . 52051 1 94 . 1 . 1 16 16 THR C C 13 173.990 0.400 . 1 . . . . . 16 THR C . 52051 1 95 . 1 . 1 16 16 THR CA C 13 63.323 0.400 . 1 . . . . . 16 THR CA . 52051 1 96 . 1 . 1 16 16 THR CB C 13 70.810 0.400 . 1 . . . . . 16 THR CB . 52051 1 97 . 1 . 1 16 16 THR N N 15 107.894 0.400 . 1 . . . . . 16 THR N . 52051 1 98 . 1 . 1 17 17 GLU H H 1 8.633 0.020 . 1 . . . . . 17 GLU H . 52051 1 99 . 1 . 1 17 17 GLU CA C 13 61.031 0.400 . 1 . . . . . 17 GLU CA . 52051 1 100 . 1 . 1 17 17 GLU CB C 13 29.864 0.400 . 1 . . . . . 17 GLU CB . 52051 1 101 . 1 . 1 17 17 GLU N N 15 123.121 0.400 . 1 . . . . . 17 GLU N . 52051 1 102 . 1 . 1 20 20 PRO HA H 1 4.381 0.020 . 1 . . . . . 20 PRO HA . 52051 1 103 . 1 . 1 20 20 PRO HB3 H 1 2.340 0.020 . 2 . . . . . 20 PRO HB3 . 52051 1 104 . 1 . 1 20 20 PRO C C 13 178.431 0.400 . 1 . . . . . 20 PRO C . 52051 1 105 . 1 . 1 20 20 PRO CA C 13 64.015 0.400 . 1 . . . . . 20 PRO CA . 52051 1 106 . 1 . 1 20 20 PRO CB C 13 31.745 0.400 . 1 . . . . . 20 PRO CB . 52051 1 107 . 1 . 1 21 21 GLY H H 1 8.529 0.020 . 1 . . . . . 21 GLY H . 52051 1 108 . 1 . 1 21 21 GLY HA2 H 1 3.729 0.020 . 2 . . . . . 21 GLY HA2 . 52051 1 109 . 1 . 1 21 21 GLY HA3 H 1 4.187 0.020 . 2 . . . . . 21 GLY HA3 . 52051 1 110 . 1 . 1 21 21 GLY C C 13 172.875 0.400 . 1 . . . . . 21 GLY C . 52051 1 111 . 1 . 1 21 21 GLY CA C 13 46.122 0.400 . 1 . . . . . 21 GLY CA . 52051 1 112 . 1 . 1 21 21 GLY N N 15 111.893 0.400 . 1 . . . . . 21 GLY N . 52051 1 113 . 1 . 1 22 22 ILE H H 1 7.978 0.020 . 1 . . . . . 22 ILE H . 52051 1 114 . 1 . 1 22 22 ILE HA H 1 5.175 0.020 . 1 . . . . . 22 ILE HA . 52051 1 115 . 1 . 1 22 22 ILE C C 13 174.892 0.400 . 1 . . . . . 22 ILE C . 52051 1 116 . 1 . 1 22 22 ILE CA C 13 60.266 0.400 . 1 . . . . . 22 ILE CA . 52051 1 117 . 1 . 1 22 22 ILE CB C 13 40.437 0.400 . 1 . . . . . 22 ILE CB . 52051 1 118 . 1 . 1 22 22 ILE N N 15 120.824 0.400 . 1 . . . . . 22 ILE N . 52051 1 119 . 1 . 1 23 23 THR H H 1 8.513 0.020 . 1 . . . . . 23 THR H . 52051 1 120 . 1 . 1 23 23 THR HA H 1 4.9131 0.020 . 1 . . . . . 23 THR HA . 52051 1 121 . 1 . 1 23 23 THR HB H 1 4.171 0.020 . 1 . . . . . 23 THR HB . 52051 1 122 . 1 . 1 23 23 THR C C 13 174.306 0.400 . 1 . . . . . 23 THR C . 52051 1 123 . 1 . 1 23 23 THR CA C 13 60.140 0.400 . 1 . . . . . 23 THR CA . 52051 1 124 . 1 . 1 23 23 THR CB C 13 72.934 0.400 . 1 . . . . . 23 THR CB . 52051 1 125 . 1 . 1 23 23 THR CG2 C 13 24.547 0.400 . 1 . . . . . 23 THR CG2 . 52051 1 126 . 1 . 1 23 23 THR N N 15 116.623 0.400 . 1 . . . . . 23 THR N . 52051 1 127 . 1 . 1 24 24 CYS H H 1 9.048 0.020 . 1 . . . . . 24 CYS H . 52051 1 128 . 1 . 1 24 24 CYS HA H 1 5.267 0.020 . 1 . . . . . 24 CYS HA . 52051 1 129 . 1 . 1 24 24 CYS HB3 H 1 2.525 0.020 . 2 . . . . . 24 CYS HB3 . 52051 1 130 . 1 . 1 24 24 CYS C C 13 171.925 0.400 . 1 . . . . . 24 CYS C . 52051 1 131 . 1 . 1 24 24 CYS CA C 13 58.344 0.400 . 1 . . . . . 24 CYS CA . 52051 1 132 . 1 . 1 24 24 CYS CB C 13 29.401 0.400 . 1 . . . . . 24 CYS CB . 52051 1 133 . 1 . 1 24 24 CYS N N 15 121.825 0.400 . 1 . . . . . 24 CYS N . 52051 1 134 . 1 . 1 25 25 TRP H H 1 8.994 0.020 . 1 . . . . . 25 TRP H . 52051 1 135 . 1 . 1 25 25 TRP HA H 1 5.022 0.020 . 1 . . . . . 25 TRP HA . 52051 1 136 . 1 . 1 25 25 TRP C C 13 172.648 0.400 . 1 . . . . . 25 TRP C . 52051 1 137 . 1 . 1 25 25 TRP CA C 13 56.704 0.400 . 1 . . . . . 25 TRP CA . 52051 1 138 . 1 . 1 25 25 TRP CB C 13 32.349 0.400 . 1 . . . . . 25 TRP CB . 52051 1 139 . 1 . 1 25 25 TRP N N 15 127.812 0.400 . 1 . . . . . 25 TRP N . 52051 1 140 . 1 . 1 26 26 GLN H H 1 8.725 0.020 . 1 . . . . . 26 GLN H . 52051 1 141 . 1 . 1 26 26 GLN HA H 1 4.489 0.020 . 1 . . . . . 26 GLN HA . 52051 1 142 . 1 . 1 26 26 GLN HB3 H 1 2.015 0.020 . 2 . . . . . 26 GLN HB3 . 52051 1 143 . 1 . 1 26 26 GLN HE21 H 1 7.232 0.020 . 2 . . . . . 26 GLN HE21 . 52051 1 144 . 1 . 1 26 26 GLN HE22 H 1 6.617 0.020 . 2 . . . . . 26 GLN HE22 . 52051 1 145 . 1 . 1 26 26 GLN C C 13 175.779 0.400 . 1 . . . . . 26 GLN C . 52051 1 146 . 1 . 1 26 26 GLN CA C 13 55.281 0.400 . 1 . . . . . 26 GLN CA . 52051 1 147 . 1 . 1 26 26 GLN CB C 13 30.888 0.400 . 1 . . . . . 26 GLN CB . 52051 1 148 . 1 . 1 26 26 GLN CG C 13 34.792 0.400 . 1 . . . . . 26 GLN CG . 52051 1 149 . 1 . 1 26 26 GLN N N 15 119.109 0.400 . 1 . . . . . 26 GLN N . 52051 1 150 . 1 . 1 26 26 GLN NE2 N 15 109.523 0.400 . 1 . . . . . 26 GLN NE2 . 52051 1 151 . 1 . 1 27 27 ASP H H 1 8.711 0.020 . 1 . . . . . 27 ASP H . 52051 1 152 . 1 . 1 27 27 ASP HA H 1 4.659 0.020 . 1 . . . . . 27 ASP HA . 52051 1 153 . 1 . 1 27 27 ASP C C 13 176.200 0.400 . 1 . . . . . 27 ASP C . 52051 1 154 . 1 . 1 27 27 ASP CA C 13 56.248 0.400 . 1 . . . . . 27 ASP CA . 52051 1 155 . 1 . 1 27 27 ASP CB C 13 42.942 0.400 . 1 . . . . . 27 ASP CB . 52051 1 156 . 1 . 1 27 27 ASP N N 15 126.046 0.400 . 1 . . . . . 27 ASP N . 52051 1 157 . 1 . 1 28 28 LYS H H 1 8.842 0.020 . 1 . . . . . 28 LYS H . 52051 1 158 . 1 . 1 28 28 LYS HA H 1 4.378 0.020 . 1 . . . . . 28 LYS HA . 52051 1 159 . 1 . 1 28 28 LYS HB3 H 1 1.888 0.020 . 2 . . . . . 28 LYS HB3 . 52051 1 160 . 1 . 1 28 28 LYS C C 13 175.940 0.400 . 1 . . . . . 28 LYS C . 52051 1 161 . 1 . 1 28 28 LYS CA C 13 56.392 0.400 . 1 . . . . . 28 LYS CA . 52051 1 162 . 1 . 1 28 28 LYS CB C 13 32.764 0.400 . 1 . . . . . 28 LYS CB . 52051 1 163 . 1 . 1 28 28 LYS N N 15 120.448 0.400 . 1 . . . . . 28 LYS N . 52051 1 164 . 1 . 1 29 29 ASP H H 1 8.447 0.020 . 1 . . . . . 29 ASP H . 52051 1 165 . 1 . 1 29 29 ASP HA H 1 4.567 0.020 . 1 . . . . . 29 ASP HA . 52051 1 166 . 1 . 1 29 29 ASP HB3 H 1 2.748 0.020 . 2 . . . . . 29 ASP HB3 . 52051 1 167 . 1 . 1 29 29 ASP C C 13 175.698 0.400 . 1 . . . . . 29 ASP C . 52051 1 168 . 1 . 1 29 29 ASP CA C 13 54.945 0.400 . 1 . . . . . 29 ASP CA . 52051 1 169 . 1 . 1 29 29 ASP N N 15 118.763 0.400 . 1 . . . . . 29 ASP N . 52051 1 170 . 1 . 1 30 30 GLN H H 1 8.081 0.020 . 1 . . . . . 30 GLN H . 52051 1 171 . 1 . 1 30 30 GLN HA H 1 4.546 0.020 . 1 . . . . . 30 GLN HA . 52051 1 172 . 1 . 1 30 30 GLN HE21 H 1 7.670 0.020 . 2 . . . . . 30 GLN HE21 . 52051 1 173 . 1 . 1 30 30 GLN HE22 H 1 6.838 0.020 . 2 . . . . . 30 GLN HE22 . 52051 1 174 . 1 . 1 30 30 GLN C C 13 176.205 0.400 . 1 . . . . . 30 GLN C . 52051 1 175 . 1 . 1 30 30 GLN CA C 13 54.950 0.400 . 1 . . . . . 30 GLN CA . 52051 1 176 . 1 . 1 30 30 GLN CB C 13 30.152 0.400 . 1 . . . . . 30 GLN CB . 52051 1 177 . 1 . 1 30 30 GLN CG C 13 33.355 0.400 . 1 . . . . . 30 GLN CG . 52051 1 178 . 1 . 1 30 30 GLN N N 15 118.488 0.400 . 1 . . . . . 30 GLN N . 52051 1 179 . 1 . 1 30 30 GLN NE2 N 15 113.413 0.400 . 1 . . . . . 30 GLN NE2 . 52051 1 180 . 1 . 1 31 31 MET H H 1 8.571 0.020 . 1 . . . . . 31 MET H . 52051 1 181 . 1 . 1 31 31 MET HA H 1 4.122 0.020 . 1 . . . . . 31 MET HA . 52051 1 182 . 1 . 1 31 31 MET HB3 H 1 1.964 0.020 . 2 . . . . . 31 MET HB3 . 52051 1 183 . 1 . 1 31 31 MET C C 13 173.224 0.400 . 1 . . . . . 31 MET C . 52051 1 184 . 1 . 1 31 31 MET CA C 13 57.181 0.400 . 1 . . . . . 31 MET CA . 52051 1 185 . 1 . 1 31 31 MET CB C 13 33.274 0.400 . 1 . . . . . 31 MET CB . 52051 1 186 . 1 . 1 31 31 MET N N 15 120.809 0.400 . 1 . . . . . 31 MET N . 52051 1 187 . 1 . 1 32 32 ASP H H 1 7.817 0.020 . 1 . . . . . 32 ASP H . 52051 1 188 . 1 . 1 32 32 ASP HA H 1 4.450 0.020 . 1 . . . . . 32 ASP HA . 52051 1 189 . 1 . 1 32 32 ASP HB3 H 1 3.018 0.020 . 2 . . . . . 32 ASP HB3 . 52051 1 190 . 1 . 1 32 32 ASP C C 13 174.759 0.400 . 1 . . . . . 32 ASP C . 52051 1 191 . 1 . 1 32 32 ASP CA C 13 53.058 0.400 . 1 . . . . . 32 ASP CA . 52051 1 192 . 1 . 1 32 32 ASP CB C 13 41.369 0.400 . 1 . . . . . 32 ASP CB . 52051 1 193 . 1 . 1 32 32 ASP N N 15 111.462 0.400 . 1 . . . . . 32 ASP N . 52051 1 194 . 1 . 1 33 33 ASP H H 1 7.203 0.020 . 1 . . . . . 33 ASP H . 52051 1 195 . 1 . 1 33 33 ASP HA H 1 4.913 0.020 . 1 . . . . . 33 ASP HA . 52051 1 196 . 1 . 1 33 33 ASP HB3 H 1 2.726 0.020 . 2 . . . . . 33 ASP HB3 . 52051 1 197 . 1 . 1 33 33 ASP C C 13 174.229 0.400 . 1 . . . . . 33 ASP C . 52051 1 198 . 1 . 1 33 33 ASP CA C 13 53.514 0.400 . 1 . . . . . 33 ASP CA . 52051 1 199 . 1 . 1 33 33 ASP CB C 13 41.644 0.400 . 1 . . . . . 33 ASP CB . 52051 1 200 . 1 . 1 33 33 ASP N N 15 119.409 0.400 . 1 . . . . . 33 ASP N . 52051 1 201 . 1 . 1 34 34 LEU H H 1 8.687 0.020 . 1 . . . . . 34 LEU H . 52051 1 202 . 1 . 1 34 34 LEU HA H 1 4.865 0.020 . 1 . . . . . 34 LEU HA . 52051 1 203 . 1 . 1 34 34 LEU C C 13 176.975 0.400 . 1 . . . . . 34 LEU C . 52051 1 204 . 1 . 1 34 34 LEU CA C 13 53.098 0.400 . 1 . . . . . 34 LEU CA . 52051 1 205 . 1 . 1 34 34 LEU CB C 13 44.518 0.400 . 1 . . . . . 34 LEU CB . 52051 1 206 . 1 . 1 34 34 LEU N N 15 121.347 0.400 . 1 . . . . . 34 LEU N . 52051 1 207 . 1 . 1 35 35 ARG H H 1 8.513 0.020 . 1 . . . . . 35 ARG H . 52051 1 208 . 1 . 1 35 35 ARG HA H 1 4.772 0.020 . 1 . . . . . 35 ARG HA . 52051 1 209 . 1 . 1 35 35 ARG C C 13 172.918 0.400 . 1 . . . . . 35 ARG C . 52051 1 210 . 1 . 1 35 35 ARG CA C 13 52.495 0.400 . 1 . . . . . 35 ARG CA . 52051 1 211 . 1 . 1 35 35 ARG CB C 13 31.768 0.400 . 1 . . . . . 35 ARG CB . 52051 1 212 . 1 . 1 35 35 ARG N N 15 121.791 0.400 . 1 . . . . . 35 ARG N . 52051 1 213 . 1 . 1 36 36 ALA H H 1 8.103 0.020 . 1 . . . . . 36 ALA H . 52051 1 214 . 1 . 1 36 36 ALA HA H 1 5.074 0.020 . 1 . . . . . 36 ALA HA . 52051 1 215 . 1 . 1 36 36 ALA HB1 H 1 1.117 0.020 . 1 . . . . . 36 ALA HB1 . 52051 1 216 . 1 . 1 36 36 ALA HB2 H 1 1.117 0.020 . 1 . . . . . 36 ALA HB2 . 52051 1 217 . 1 . 1 36 36 ALA HB3 H 1 1.117 0.020 . 1 . . . . . 36 ALA HB3 . 52051 1 218 . 1 . 1 36 36 ALA C C 13 175.374 0.400 . 1 . . . . . 36 ALA C . 52051 1 219 . 1 . 1 36 36 ALA CA C 13 49.599 0.400 . 1 . . . . . 36 ALA CA . 52051 1 220 . 1 . 1 36 36 ALA CB C 13 23.895 0.400 . 1 . . . . . 36 ALA CB . 52051 1 221 . 1 . 1 36 36 ALA N N 15 119.641 0.400 . 1 . . . . . 36 ALA N . 52051 1 222 . 1 . 1 37 37 GLN H H 1 8.944 0.020 . 1 . . . . . 37 GLN H . 52051 1 223 . 1 . 1 37 37 GLN HA H 1 5.601 0.020 . 1 . . . . . 37 GLN HA . 52051 1 224 . 1 . 1 37 37 GLN HB3 H 1 2.046 0.020 . 2 . . . . . 37 GLN HB3 . 52051 1 225 . 1 . 1 37 37 GLN C C 13 178.150 0.400 . 1 . . . . . 37 GLN C . 52051 1 226 . 1 . 1 37 37 GLN CA C 13 54.267 0.400 . 1 . . . . . 37 GLN CA . 52051 1 227 . 1 . 1 37 37 GLN CB C 13 33.258 0.400 . 1 . . . . . 37 GLN CB . 52051 1 228 . 1 . 1 37 37 GLN CG C 13 36.711 0.400 . 1 . . . . . 37 GLN CG . 52051 1 229 . 1 . 1 37 37 GLN N N 15 119.698 0.400 . 1 . . . . . 37 GLN N . 52051 1 230 . 1 . 1 38 38 ILE H H 1 9.175 0.020 . 1 . . . . . 38 ILE H . 52051 1 231 . 1 . 1 38 38 ILE HA H 1 4.857 0.020 . 1 . . . . . 38 ILE HA . 52051 1 232 . 1 . 1 38 38 ILE C C 13 175.900 0.400 . 1 . . . . . 38 ILE C . 52051 1 233 . 1 . 1 38 38 ILE CA C 13 60.157 0.400 . 1 . . . . . 38 ILE CA . 52051 1 234 . 1 . 1 38 38 ILE CB C 13 42.187 0.400 . 1 . . . . . 38 ILE CB . 52051 1 235 . 1 . 1 38 38 ILE N N 15 124.408 0.400 . 1 . . . . . 38 ILE N . 52051 1 236 . 1 . 1 39 39 LEU H H 1 8.605 0.020 . 1 . . . . . 39 LEU H . 52051 1 237 . 1 . 1 39 39 LEU CA C 13 54.597 0.400 . 1 . . . . . 39 LEU CA . 52051 1 238 . 1 . 1 39 39 LEU CB C 13 42.069 0.400 . 1 . . . . . 39 LEU CB . 52051 1 239 . 1 . 1 39 39 LEU N N 15 127.285 0.400 . 1 . . . . . 39 LEU N . 52051 1 240 . 1 . 1 40 40 GLY C C 13 176.070 0.400 . 1 . . . . . 40 GLY C . 52051 1 241 . 1 . 1 40 40 GLY CA C 13 45.226 0.400 . 1 . . . . . 40 GLY CA . 52051 1 242 . 1 . 1 41 41 GLY H H 1 8.711 0.020 . 1 . . . . . 41 GLY H . 52051 1 243 . 1 . 1 41 41 GLY HA3 H 1 4.212 0.020 . 2 . . . . . 41 GLY HA3 . 52051 1 244 . 1 . 1 41 41 GLY C C 13 174.831 0.400 . 1 . . . . . 41 GLY C . 52051 1 245 . 1 . 1 41 41 GLY CA C 13 45.097 0.400 . 1 . . . . . 41 GLY CA . 52051 1 246 . 1 . 1 41 41 GLY N N 15 107.411 0.400 . 1 . . . . . 41 GLY N . 52051 1 247 . 1 . 1 42 42 ALA H H 1 8.863 0.020 . 1 . . . . . 42 ALA H . 52051 1 248 . 1 . 1 42 42 ALA HA H 1 4.230 0.020 . 1 . . . . . 42 ALA HA . 52051 1 249 . 1 . 1 42 42 ALA HB1 H 1 1.431 0.020 . 1 . . . . . 42 ALA HB1 . 52051 1 250 . 1 . 1 42 42 ALA HB2 H 1 1.431 0.020 . 1 . . . . . 42 ALA HB2 . 52051 1 251 . 1 . 1 42 42 ALA HB3 H 1 1.431 0.020 . 1 . . . . . 42 ALA HB3 . 52051 1 252 . 1 . 1 42 42 ALA C C 13 178.377 0.400 . 1 . . . . . 42 ALA C . 52051 1 253 . 1 . 1 42 42 ALA CA C 13 53.288 0.400 . 1 . . . . . 42 ALA CA . 52051 1 254 . 1 . 1 42 42 ALA CB C 13 18.724 0.400 . 1 . . . . . 42 ALA CB . 52051 1 255 . 1 . 1 42 42 ALA N N 15 127.410 0.400 . 1 . . . . . 42 ALA N . 52051 1 256 . 1 . 1 43 43 ASN H H 1 9.219 0.020 . 1 . . . . . 43 ASN H . 52051 1 257 . 1 . 1 43 43 ASN HA H 1 4.426 0.020 . 1 . . . . . 43 ASN HA . 52051 1 258 . 1 . 1 43 43 ASN HB3 H 1 3.101 0.020 . 2 . . . . . 43 ASN HB3 . 52051 1 259 . 1 . 1 43 43 ASN C C 13 174.219 0.400 . 1 . . . . . 43 ASN C . 52051 1 260 . 1 . 1 43 43 ASN CA C 13 54.884 0.400 . 1 . . . . . 43 ASN CA . 52051 1 261 . 1 . 1 43 43 ASN CB C 13 37.154 0.400 . 1 . . . . . 43 ASN CB . 52051 1 262 . 1 . 1 43 43 ASN N N 15 114.481 0.400 . 1 . . . . . 43 ASN N . 52051 1 263 . 1 . 1 44 44 THR H H 1 7.658 0.020 . 1 . . . . . 44 THR H . 52051 1 264 . 1 . 1 44 44 THR CA C 13 59.642 0.400 . 1 . . . . . 44 THR CA . 52051 1 265 . 1 . 1 44 44 THR CB C 13 70.993 0.400 . 1 . . . . . 44 THR CB . 52051 1 266 . 1 . 1 44 44 THR N N 15 108.069 0.400 . 1 . . . . . 44 THR N . 52051 1 267 . 1 . 1 45 45 PRO HA H 1 4.422 0.020 . 1 . . . . . 45 PRO HA . 52051 1 268 . 1 . 1 45 45 PRO C C 13 174.636 0.400 . 1 . . . . . 45 PRO C . 52051 1 269 . 1 . 1 45 45 PRO CA C 13 63.751 0.400 . 1 . . . . . 45 PRO CA . 52051 1 270 . 1 . 1 45 45 PRO CB C 13 31.795 0.400 . 1 . . . . . 45 PRO CB . 52051 1 271 . 1 . 1 46 46 TYR H H 1 7.016 0.020 . 1 . . . . . 46 TYR H . 52051 1 272 . 1 . 1 46 46 TYR CA C 13 55.793 0.400 . 1 . . . . . 46 TYR CA . 52051 1 273 . 1 . 1 46 46 TYR CB C 13 37.792 0.400 . 1 . . . . . 46 TYR CB . 52051 1 274 . 1 . 1 46 46 TYR N N 15 117.801 0.400 . 1 . . . . . 46 TYR N . 52051 1 275 . 1 . 1 50 50 VAL HA H 1 4.275 0.020 . 1 . . . . . 50 VAL HA . 52051 1 276 . 1 . 1 50 50 VAL HB H 1 1.844 0.020 . 1 . . . . . 50 VAL HB . 52051 1 277 . 1 . 1 50 50 VAL CA C 13 62.790 0.400 . 1 . . . . . 50 VAL CA . 52051 1 278 . 1 . 1 50 50 VAL CB C 13 33.226 0.400 . 1 . . . . . 50 VAL CB . 52051 1 279 . 1 . 1 51 51 PHE H H 1 8.492 0.020 . 1 . . . . . 51 PHE H . 52051 1 280 . 1 . 1 51 51 PHE HA H 1 4.510 0.020 . 1 . . . . . 51 PHE HA . 52051 1 281 . 1 . 1 51 51 PHE C C 13 174.036 0.400 . 1 . . . . . 51 PHE C . 52051 1 282 . 1 . 1 51 51 PHE CA C 13 57.125 0.400 . 1 . . . . . 51 PHE CA . 52051 1 283 . 1 . 1 51 51 PHE CB C 13 40.827 0.400 . 1 . . . . . 51 PHE CB . 52051 1 284 . 1 . 1 51 51 PHE N N 15 124.426 0.400 . 1 . . . . . 51 PHE N . 52051 1 285 . 1 . 1 52 52 LYS H H 1 9.451 0.020 . 1 . . . . . 52 LYS H . 52051 1 286 . 1 . 1 52 52 LYS HA H 1 5.113 0.020 . 1 . . . . . 52 LYS HA . 52051 1 287 . 1 . 1 52 52 LYS HB3 H 1 1.880 0.020 . 2 . . . . . 52 LYS HB3 . 52051 1 288 . 1 . 1 52 52 LYS C C 13 176.124 0.400 . 1 . . . . . 52 LYS C . 52051 1 289 . 1 . 1 52 52 LYS CA C 13 55.198 0.400 . 1 . . . . . 52 LYS CA . 52051 1 290 . 1 . 1 52 52 LYS CB C 13 34.222 0.400 . 1 . . . . . 52 LYS CB . 52051 1 291 . 1 . 1 52 52 LYS N N 15 123.066 0.400 . 1 . . . . . 52 LYS N . 52051 1 292 . 1 . 1 53 53 LEU H H 1 9.170 0.020 . 1 . . . . . 53 LEU H . 52051 1 293 . 1 . 1 53 53 LEU HA H 1 4.962 0.020 . 1 . . . . . 53 LEU HA . 52051 1 294 . 1 . 1 53 53 LEU C C 13 174.899 0.400 . 1 . . . . . 53 LEU C . 52051 1 295 . 1 . 1 53 53 LEU CA C 13 55.161 0.400 . 1 . . . . . 53 LEU CA . 52051 1 296 . 1 . 1 53 53 LEU CB C 13 45.370 0.400 . 1 . . . . . 53 LEU CB . 52051 1 297 . 1 . 1 53 53 LEU N N 15 122.499 0.400 . 1 . . . . . 53 LEU N . 52051 1 298 . 1 . 1 54 54 GLU H H 1 8.777 0.020 . 1 . . . . . 54 GLU H . 52051 1 299 . 1 . 1 54 54 GLU HA H 1 4.534 0.020 . 1 . . . . . 54 GLU HA . 52051 1 300 . 1 . 1 54 54 GLU HB3 H 1 1.881 0.020 . 2 . . . . . 54 GLU HB3 . 52051 1 301 . 1 . 1 54 54 GLU C C 13 173.153 0.400 . 1 . . . . . 54 GLU C . 52051 1 302 . 1 . 1 54 54 GLU CA C 13 56.865 0.400 . 1 . . . . . 54 GLU CA . 52051 1 303 . 1 . 1 54 54 GLU CB C 13 33.476 0.400 . 1 . . . . . 54 GLU CB . 52051 1 304 . 1 . 1 54 54 GLU N N 15 121.924 0.400 . 1 . . . . . 54 GLU N . 52051 1 305 . 1 . 1 55 55 VAL H H 1 7.968 0.020 . 1 . . . . . 55 VAL H . 52051 1 306 . 1 . 1 55 55 VAL HB H 1 1.795 0.020 . 1 . . . . . 55 VAL HB . 52051 1 307 . 1 . 1 55 55 VAL CA C 13 60.832 0.400 . 1 . . . . . 55 VAL CA . 52051 1 308 . 1 . 1 55 55 VAL CB C 13 33.252 0.400 . 1 . . . . . 55 VAL CB . 52051 1 309 . 1 . 1 55 55 VAL N N 15 125.985 0.400 . 1 . . . . . 55 VAL N . 52051 1 310 . 1 . 1 56 56 ILE H H 1 9.046 0.020 . 1 . . . . . 56 ILE H . 52051 1 311 . 1 . 1 56 56 ILE HA H 1 4.321 0.020 . 1 . . . . . 56 ILE HA . 52051 1 312 . 1 . 1 56 56 ILE HB H 1 1.898 0.020 . 1 . . . . . 56 ILE HB . 52051 1 313 . 1 . 1 56 56 ILE C C 13 175.643 0.400 . 1 . . . . . 56 ILE C . 52051 1 314 . 1 . 1 56 56 ILE N N 15 127.321 0.400 . 1 . . . . . 56 ILE N . 52051 1 315 . 1 . 1 57 57 ILE H H 1 8.669 0.020 . 1 . . . . . 57 ILE H . 52051 1 316 . 1 . 1 57 57 ILE CA C 13 54.999 0.400 . 1 . . . . . 57 ILE CA . 52051 1 317 . 1 . 1 57 57 ILE CB C 13 35.522 0.400 . 1 . . . . . 57 ILE CB . 52051 1 318 . 1 . 1 57 57 ILE N N 15 128.575 0.400 . 1 . . . . . 57 ILE N . 52051 1 319 . 1 . 1 58 58 PRO CA C 13 63.134 0.400 . 1 . . . . . 58 PRO CA . 52051 1 320 . 1 . 1 58 58 PRO CB C 13 33.119 0.400 . 1 . . . . . 58 PRO CB . 52051 1 321 . 1 . 1 59 59 GLU H H 1 9.179 0.020 . 1 . . . . . 59 GLU H . 52051 1 322 . 1 . 1 59 59 GLU HA H 1 3.907 0.020 . 1 . . . . . 59 GLU HA . 52051 1 323 . 1 . 1 59 59 GLU HB3 H 1 2.075 0.020 . 2 . . . . . 59 GLU HB3 . 52051 1 324 . 1 . 1 59 59 GLU C C 13 177.708 0.400 . 1 . . . . . 59 GLU C . 52051 1 325 . 1 . 1 59 59 GLU CA C 13 60.373 0.400 . 1 . . . . . 59 GLU CA . 52051 1 326 . 1 . 1 59 59 GLU CB C 13 29.654 0.400 . 1 . . . . . 59 GLU CB . 52051 1 327 . 1 . 1 59 59 GLU N N 15 124.973 0.400 . 1 . . . . . 59 GLU N . 52051 1 328 . 1 . 1 60 60 ARG H H 1 8.323 0.020 . 1 . . . . . 60 ARG H . 52051 1 329 . 1 . 1 60 60 ARG HA H 1 4.548 0.020 . 1 . . . . . 60 ARG HA . 52051 1 330 . 1 . 1 60 60 ARG HB3 H 1 1.657 0.020 . 2 . . . . . 60 ARG HB3 . 52051 1 331 . 1 . 1 60 60 ARG C C 13 176.610 0.400 . 1 . . . . . 60 ARG C . 52051 1 332 . 1 . 1 60 60 ARG CA C 13 55.886 0.400 . 1 . . . . . 60 ARG CA . 52051 1 333 . 1 . 1 60 60 ARG CB C 13 29.529 0.400 . 1 . . . . . 60 ARG CB . 52051 1 334 . 1 . 1 60 60 ARG N N 15 111.844 0.400 . 1 . . . . . 60 ARG N . 52051 1 335 . 1 . 1 61 61 TYR H H 1 7.559 0.020 . 1 . . . . . 61 TYR H . 52051 1 336 . 1 . 1 61 61 TYR CA C 13 58.707 0.400 . 1 . . . . . 61 TYR CA . 52051 1 337 . 1 . 1 61 61 TYR CB C 13 41.297 0.400 . 1 . . . . . 61 TYR CB . 52051 1 338 . 1 . 1 61 61 TYR N N 15 123.207 0.400 . 1 . . . . . 61 TYR N . 52051 1 339 . 1 . 1 62 62 PRO C C 13 174.423 0.400 . 1 . . . . . 62 PRO C . 52051 1 340 . 1 . 1 62 62 PRO CA C 13 63.490 0.400 . 1 . . . . . 62 PRO CA . 52051 1 341 . 1 . 1 62 62 PRO CB C 13 32.710 0.400 . 1 . . . . . 62 PRO CB . 52051 1 342 . 1 . 1 63 63 PHE H H 1 9.202 0.020 . 1 . . . . . 63 PHE H . 52051 1 343 . 1 . 1 63 63 PHE HA H 1 4.405 0.020 . 1 . . . . . 63 PHE HA . 52051 1 344 . 1 . 1 63 63 PHE HB3 H 1 3.467 0.020 . 2 . . . . . 63 PHE HB3 . 52051 1 345 . 1 . 1 63 63 PHE C C 13 175.460 0.400 . 1 . . . . . 63 PHE C . 52051 1 346 . 1 . 1 63 63 PHE CA C 13 60.239 0.400 . 1 . . . . . 63 PHE CA . 52051 1 347 . 1 . 1 63 63 PHE CB C 13 38.084 0.400 . 1 . . . . . 63 PHE CB . 52051 1 348 . 1 . 1 63 63 PHE N N 15 125.171 0.400 . 1 . . . . . 63 PHE N . 52051 1 349 . 1 . 1 64 64 GLU H H 1 6.940 0.020 . 1 . . . . . 64 GLU H . 52051 1 350 . 1 . 1 64 64 GLU CA C 13 52.502 0.400 . 1 . . . . . 64 GLU CA . 52051 1 351 . 1 . 1 64 64 GLU CB C 13 32.039 0.400 . 1 . . . . . 64 GLU CB . 52051 1 352 . 1 . 1 64 64 GLU N N 15 117.892 0.400 . 1 . . . . . 64 GLU N . 52051 1 353 . 1 . 1 66 66 PRO HA H 1 4.188 0.020 . 1 . . . . . 66 PRO HA . 52051 1 354 . 1 . 1 66 66 PRO HB3 H 1 1.506 0.020 . 2 . . . . . 66 PRO HB3 . 52051 1 355 . 1 . 1 66 66 PRO C C 13 174.145 0.400 . 1 . . . . . 66 PRO C . 52051 1 356 . 1 . 1 66 66 PRO CA C 13 62.006 0.400 . 1 . . . . . 66 PRO CA . 52051 1 357 . 1 . 1 66 66 PRO CB C 13 31.917 0.400 . 1 . . . . . 66 PRO CB . 52051 1 358 . 1 . 1 67 67 GLN H H 1 8.861 0.020 . 1 . . . . . 67 GLN H . 52051 1 359 . 1 . 1 67 67 GLN HA H 1 4.489 0.020 . 1 . . . . . 67 GLN HA . 52051 1 360 . 1 . 1 67 67 GLN HB3 H 1 1.995 0.020 . 2 . . . . . 67 GLN HB3 . 52051 1 361 . 1 . 1 67 67 GLN HE21 H 1 7.434 0.020 . 2 . . . . . 67 GLN HE21 . 52051 1 362 . 1 . 1 67 67 GLN HE22 H 1 6.778 0.020 . 2 . . . . . 67 GLN HE22 . 52051 1 363 . 1 . 1 67 67 GLN C C 13 175.392 0.400 . 1 . . . . . 67 GLN C . 52051 1 364 . 1 . 1 67 67 GLN CA C 13 54.581 0.400 . 1 . . . . . 67 GLN CA . 52051 1 365 . 1 . 1 67 67 GLN CB C 13 28.917 0.400 . 1 . . . . . 67 GLN CB . 52051 1 366 . 1 . 1 67 67 GLN CG C 13 33.407 0.400 . 1 . . . . . 67 GLN CG . 52051 1 367 . 1 . 1 67 67 GLN N N 15 121.539 0.400 . 1 . . . . . 67 GLN N . 52051 1 368 . 1 . 1 67 67 GLN NE2 N 15 110.278 0.400 . 1 . . . . . 67 GLN NE2 . 52051 1 369 . 1 . 1 68 68 ILE H H 1 8.658 0.020 . 1 . . . . . 68 ILE H . 52051 1 370 . 1 . 1 68 68 ILE HA H 1 5.315 0.020 . 1 . . . . . 68 ILE HA . 52051 1 371 . 1 . 1 68 68 ILE HB H 1 1.518 0.020 . 1 . . . . . 68 ILE HB . 52051 1 372 . 1 . 1 68 68 ILE C C 13 173.415 0.400 . 1 . . . . . 68 ILE C . 52051 1 373 . 1 . 1 68 68 ILE CA C 13 59.701 0.400 . 1 . . . . . 68 ILE CA . 52051 1 374 . 1 . 1 68 68 ILE CB C 13 40.782 0.400 . 1 . . . . . 68 ILE CB . 52051 1 375 . 1 . 1 68 68 ILE N N 15 126.513 0.400 . 1 . . . . . 68 ILE N . 52051 1 376 . 1 . 1 69 69 ARG H H 1 8.178 0.020 . 1 . . . . . 69 ARG H . 52051 1 377 . 1 . 1 69 69 ARG HA H 1 5.014 0.020 . 1 . . . . . 69 ARG HA . 52051 1 378 . 1 . 1 69 69 ARG HB3 H 1 1.747 0.020 . 2 . . . . . 69 ARG HB3 . 52051 1 379 . 1 . 1 69 69 ARG C C 13 176.086 0.400 . 1 . . . . . 69 ARG C . 52051 1 380 . 1 . 1 69 69 ARG CA C 13 53.912 0.400 . 1 . . . . . 69 ARG CA . 52051 1 381 . 1 . 1 69 69 ARG CB C 13 34.156 0.400 . 1 . . . . . 69 ARG CB . 52051 1 382 . 1 . 1 69 69 ARG N N 15 122.688 0.400 . 1 . . . . . 69 ARG N . 52051 1 383 . 1 . 1 70 70 PHE H H 1 10.018 0.020 . 1 . . . . . 70 PHE H . 52051 1 384 . 1 . 1 70 70 PHE HA H 1 4.683 0.020 . 1 . . . . . 70 PHE HA . 52051 1 385 . 1 . 1 70 70 PHE C C 13 176.361 0.400 . 1 . . . . . 70 PHE C . 52051 1 386 . 1 . 1 70 70 PHE CA C 13 60.064 0.400 . 1 . . . . . 70 PHE CA . 52051 1 387 . 1 . 1 70 70 PHE CB C 13 39.652 0.400 . 1 . . . . . 70 PHE CB . 52051 1 388 . 1 . 1 70 70 PHE N N 15 123.544 0.400 . 1 . . . . . 70 PHE N . 52051 1 389 . 1 . 1 71 71 LEU H H 1 9.403 0.020 . 1 . . . . . 71 LEU H . 52051 1 390 . 1 . 1 71 71 LEU HA H 1 4.450 0.020 . 1 . . . . . 71 LEU HA . 52051 1 391 . 1 . 1 71 71 LEU HB3 H 1 1.679 0.020 . 2 . . . . . 71 LEU HB3 . 52051 1 392 . 1 . 1 71 71 LEU C C 13 177.680 0.400 . 1 . . . . . 71 LEU C . 52051 1 393 . 1 . 1 71 71 LEU CA C 13 55.198 0.400 . 1 . . . . . 71 LEU CA . 52051 1 394 . 1 . 1 71 71 LEU CB C 13 42.089 0.400 . 1 . . . . . 71 LEU CB . 52051 1 395 . 1 . 1 71 71 LEU N N 15 123.051 0.400 . 1 . . . . . 71 LEU N . 52051 1 396 . 1 . 1 72 72 THR H H 1 7.545 0.020 . 1 . . . . . 72 THR H . 52051 1 397 . 1 . 1 72 72 THR CB C 13 72.136 0.400 . 1 . . . . . 72 THR CB . 52051 1 398 . 1 . 1 72 72 THR N N 15 120.092 0.400 . 1 . . . . . 72 THR N . 52051 1 399 . 1 . 1 73 73 PRO HA H 1 4.286 0.020 . 1 . . . . . 73 PRO HA . 52051 1 400 . 1 . 1 73 73 PRO C C 13 175.158 0.400 . 1 . . . . . 73 PRO C . 52051 1 401 . 1 . 1 73 73 PRO CA C 13 63.705 0.400 . 1 . . . . . 73 PRO CA . 52051 1 402 . 1 . 1 73 73 PRO CB C 13 32.199 0.400 . 1 . . . . . 73 PRO CB . 52051 1 403 . 1 . 1 74 74 ILE H H 1 8.325 0.020 . 1 . . . . . 74 ILE H . 52051 1 404 . 1 . 1 74 74 ILE HA H 1 4.605 0.020 . 1 . . . . . 74 ILE HA . 52051 1 405 . 1 . 1 74 74 ILE C C 13 170.727 0.400 . 1 . . . . . 74 ILE C . 52051 1 406 . 1 . 1 74 74 ILE CA C 13 60.331 0.400 . 1 . . . . . 74 ILE CA . 52051 1 407 . 1 . 1 74 74 ILE CB C 13 40.534 0.400 . 1 . . . . . 74 ILE CB . 52051 1 408 . 1 . 1 74 74 ILE N N 15 120.050 0.400 . 1 . . . . . 74 ILE N . 52051 1 409 . 1 . 1 75 75 TYR H H 1 8.460 0.020 . 1 . . . . . 75 TYR H . 52051 1 410 . 1 . 1 75 75 TYR HA H 1 3.950 0.020 . 1 . . . . . 75 TYR HA . 52051 1 411 . 1 . 1 75 75 TYR C C 13 173.716 0.400 . 1 . . . . . 75 TYR C . 52051 1 412 . 1 . 1 75 75 TYR CA C 13 53.902 0.400 . 1 . . . . . 75 TYR CA . 52051 1 413 . 1 . 1 75 75 TYR CB C 13 38.384 0.400 . 1 . . . . . 75 TYR CB . 52051 1 414 . 1 . 1 75 75 TYR N N 15 131.509 0.400 . 1 . . . . . 75 TYR N . 52051 1 415 . 1 . 1 76 76 HIS H H 1 9.060 0.020 . 1 . . . . . 76 HIS H . 52051 1 416 . 1 . 1 76 76 HIS CA C 13 55.893 0.400 . 1 . . . . . 76 HIS CA . 52051 1 417 . 1 . 1 76 76 HIS CB C 13 36.453 0.400 . 1 . . . . . 76 HIS CB . 52051 1 418 . 1 . 1 76 76 HIS N N 15 130.178 0.400 . 1 . . . . . 76 HIS N . 52051 1 419 . 1 . 1 77 77 PRO HA H 1 4.043 0.020 . 1 . . . . . 77 PRO HA . 52051 1 420 . 1 . 1 77 77 PRO HB3 H 1 1.427 0.020 . 2 . . . . . 77 PRO HB3 . 52051 1 421 . 1 . 1 77 77 PRO C C 13 177.027 0.400 . 1 . . . . . 77 PRO C . 52051 1 422 . 1 . 1 77 77 PRO CA C 13 65.525 0.400 . 1 . . . . . 77 PRO CA . 52051 1 423 . 1 . 1 77 77 PRO CB C 13 34.136 0.400 . 1 . . . . . 77 PRO CB . 52051 1 424 . 1 . 1 78 78 ASN H H 1 11.662 0.020 . 1 . . . . . 78 ASN H . 52051 1 425 . 1 . 1 78 78 ASN HA H 1 4.693 0.020 . 1 . . . . . 78 ASN HA . 52051 1 426 . 1 . 1 78 78 ASN HB3 H 1 2.474 0.020 . 2 . . . . . 78 ASN HB3 . 52051 1 427 . 1 . 1 78 78 ASN C C 13 170.797 0.400 . 1 . . . . . 78 ASN C . 52051 1 428 . 1 . 1 78 78 ASN CA C 13 54.537 0.400 . 1 . . . . . 78 ASN CA . 52051 1 429 . 1 . 1 78 78 ASN CB C 13 42.039 0.400 . 1 . . . . . 78 ASN CB . 52051 1 430 . 1 . 1 78 78 ASN N N 15 117.588 0.400 . 1 . . . . . 78 ASN N . 52051 1 431 . 1 . 1 79 79 ILE H H 1 7.173 0.020 . 1 . . . . . 79 ILE H . 52051 1 432 . 1 . 1 79 79 ILE HA H 1 5.332 0.020 . 1 . . . . . 79 ILE HA . 52051 1 433 . 1 . 1 79 79 ILE C C 13 174.596 0.400 . 1 . . . . . 79 ILE C . 52051 1 434 . 1 . 1 79 79 ILE CA C 13 59.566 0.400 . 1 . . . . . 79 ILE CA . 52051 1 435 . 1 . 1 79 79 ILE CB C 13 42.149 0.400 . 1 . . . . . 79 ILE CB . 52051 1 436 . 1 . 1 79 79 ILE N N 15 120.731 0.400 . 1 . . . . . 79 ILE N . 52051 1 437 . 1 . 1 80 80 ASP H H 1 8.550 0.020 . 1 . . . . . 80 ASP H . 52051 1 438 . 1 . 1 80 80 ASP HA H 1 5.256 0.020 . 1 . . . . . 80 ASP HA . 52051 1 439 . 1 . 1 80 80 ASP C C 13 178.902 0.400 . 1 . . . . . 80 ASP C . 52051 1 440 . 1 . 1 80 80 ASP CA C 13 52.389 0.400 . 1 . . . . . 80 ASP CA . 52051 1 441 . 1 . 1 80 80 ASP CB C 13 42.045 0.400 . 1 . . . . . 80 ASP CB . 52051 1 442 . 1 . 1 80 80 ASP N N 15 124.340 0.400 . 1 . . . . . 80 ASP N . 52051 1 443 . 1 . 1 81 81 SER H H 1 7.753 0.020 . 1 . . . . . 81 SER H . 52051 1 444 . 1 . 1 81 81 SER HA H 1 4.508 0.020 . 1 . . . . . 81 SER HA . 52051 1 445 . 1 . 1 81 81 SER HB3 H 1 4.080 0.020 . 2 . . . . . 81 SER HB3 . 52051 1 446 . 1 . 1 81 81 SER C C 13 174.857 0.400 . 1 . . . . . 81 SER C . 52051 1 447 . 1 . 1 81 81 SER CA C 13 60.535 0.400 . 1 . . . . . 81 SER CA . 52051 1 448 . 1 . 1 81 81 SER CB C 13 63.064 0.400 . 1 . . . . . 81 SER CB . 52051 1 449 . 1 . 1 81 81 SER N N 15 111.416 0.400 . 1 . . . . . 81 SER N . 52051 1 450 . 1 . 1 82 82 ALA H H 1 8.247 0.020 . 1 . . . . . 82 ALA H . 52051 1 451 . 1 . 1 82 82 ALA HA H 1 4.639 0.020 . 1 . . . . . 82 ALA HA . 52051 1 452 . 1 . 1 82 82 ALA HB1 H 1 1.484 0.020 . 1 . . . . . 82 ALA HB1 . 52051 1 453 . 1 . 1 82 82 ALA HB2 H 1 1.484 0.020 . 1 . . . . . 82 ALA HB2 . 52051 1 454 . 1 . 1 82 82 ALA HB3 H 1 1.484 0.020 . 1 . . . . . 82 ALA HB3 . 52051 1 455 . 1 . 1 82 82 ALA C C 13 177.168 0.400 . 1 . . . . . 82 ALA C . 52051 1 456 . 1 . 1 82 82 ALA CA C 13 51.407 0.400 . 1 . . . . . 82 ALA CA . 52051 1 457 . 1 . 1 82 82 ALA CB C 13 18.978 0.400 . 1 . . . . . 82 ALA CB . 52051 1 458 . 1 . 1 82 82 ALA N N 15 124.953 0.400 . 1 . . . . . 82 ALA N . 52051 1 459 . 1 . 1 83 83 GLY H H 1 8.207 0.020 . 1 . . . . . 83 GLY H . 52051 1 460 . 1 . 1 83 83 GLY HA3 H 1 3.949 0.020 . 2 . . . . . 83 GLY HA3 . 52051 1 461 . 1 . 1 83 83 GLY C C 13 174.664 0.400 . 1 . . . . . 83 GLY C . 52051 1 462 . 1 . 1 83 83 GLY CA C 13 46.300 0.400 . 1 . . . . . 83 GLY CA . 52051 1 463 . 1 . 1 83 83 GLY N N 15 109.122 0.400 . 1 . . . . . 83 GLY N . 52051 1 464 . 1 . 1 84 84 ARG H H 1 8.519 0.020 . 1 . . . . . 84 ARG H . 52051 1 465 . 1 . 1 84 84 ARG HA H 1 4.375 0.020 . 1 . . . . . 84 ARG HA . 52051 1 466 . 1 . 1 84 84 ARG C C 13 175.018 0.400 . 1 . . . . . 84 ARG C . 52051 1 467 . 1 . 1 84 84 ARG CA C 13 56.608 0.400 . 1 . . . . . 84 ARG CA . 52051 1 468 . 1 . 1 84 84 ARG CB C 13 29.891 0.400 . 1 . . . . . 84 ARG CB . 52051 1 469 . 1 . 1 84 84 ARG N N 15 121.294 0.400 . 1 . . . . . 84 ARG N . 52051 1 470 . 1 . 1 85 85 ILE H H 1 8.502 0.020 . 1 . . . . . 85 ILE H . 52051 1 471 . 1 . 1 85 85 ILE HA H 1 4.620 0.020 . 1 . . . . . 85 ILE HA . 52051 1 472 . 1 . 1 85 85 ILE CA C 13 60.514 0.400 . 1 . . . . . 85 ILE CA . 52051 1 473 . 1 . 1 85 85 ILE CB C 13 41.656 0.400 . 1 . . . . . 85 ILE CB . 52051 1 474 . 1 . 1 85 85 ILE N N 15 118.922 0.400 . 1 . . . . . 85 ILE N . 52051 1 475 . 1 . 1 86 86 CYS H H 1 8.617 0.020 . 1 . . . . . 86 CYS H . 52051 1 476 . 1 . 1 86 86 CYS HA H 1 4.594 0.020 . 1 . . . . . 86 CYS HA . 52051 1 477 . 1 . 1 86 86 CYS HB3 H 1 3.035 0.020 . 2 . . . . . 86 CYS HB3 . 52051 1 478 . 1 . 1 86 86 CYS C C 13 171.877 0.400 . 1 . . . . . 86 CYS C . 52051 1 479 . 1 . 1 86 86 CYS CA C 13 57.514 0.400 . 1 . . . . . 86 CYS CA . 52051 1 480 . 1 . 1 86 86 CYS CB C 13 26.057 0.400 . 1 . . . . . 86 CYS CB . 52051 1 481 . 1 . 1 86 86 CYS N N 15 128.497 0.400 . 1 . . . . . 86 CYS N . 52051 1 482 . 1 . 1 87 87 LEU H H 1 7.487 0.020 . 1 . . . . . 87 LEU H . 52051 1 483 . 1 . 1 87 87 LEU HA H 1 4.676 0.020 . 1 . . . . . 87 LEU HA . 52051 1 484 . 1 . 1 87 87 LEU HB3 H 1 1.451 0.020 . 2 . . . . . 87 LEU HB3 . 52051 1 485 . 1 . 1 87 87 LEU C C 13 176.117 0.400 . 1 . . . . . 87 LEU C . 52051 1 486 . 1 . 1 87 87 LEU CA C 13 54.440 0.400 . 1 . . . . . 87 LEU CA . 52051 1 487 . 1 . 1 87 87 LEU CB C 13 46.388 0.400 . 1 . . . . . 87 LEU CB . 52051 1 488 . 1 . 1 87 87 LEU N N 15 127.430 0.400 . 1 . . . . . 87 LEU N . 52051 1 489 . 1 . 1 88 88 ASP H H 1 9.254 0.020 . 1 . . . . . 88 ASP H . 52051 1 490 . 1 . 1 88 88 ASP HA H 1 4.266 0.020 . 1 . . . . . 88 ASP HA . 52051 1 491 . 1 . 1 88 88 ASP HB3 H 1 2.884 0.020 . 2 . . . . . 88 ASP HB3 . 52051 1 492 . 1 . 1 88 88 ASP C C 13 180.521 0.400 . 1 . . . . . 88 ASP C . 52051 1 493 . 1 . 1 88 88 ASP CA C 13 58.410 0.400 . 1 . . . . . 88 ASP CA . 52051 1 494 . 1 . 1 88 88 ASP CB C 13 38.770 0.400 . 1 . . . . . 88 ASP CB . 52051 1 495 . 1 . 1 88 88 ASP N N 15 129.889 0.400 . 1 . . . . . 88 ASP N . 52051 1 496 . 1 . 1 89 89 VAL H H 1 8.617 0.020 . 1 . . . . . 89 VAL H . 52051 1 497 . 1 . 1 89 89 VAL HA H 1 4.032 0.020 . 1 . . . . . 89 VAL HA . 52051 1 498 . 1 . 1 89 89 VAL C C 13 172.637 0.400 . 1 . . . . . 89 VAL C . 52051 1 499 . 1 . 1 89 89 VAL CA C 13 64.476 0.400 . 1 . . . . . 89 VAL CA . 52051 1 500 . 1 . 1 89 89 VAL CB C 13 31.429 0.400 . 1 . . . . . 89 VAL CB . 52051 1 501 . 1 . 1 89 89 VAL N N 15 116.134 0.400 . 1 . . . . . 89 VAL N . 52051 1 502 . 1 . 1 90 90 LEU H H 1 7.348 0.020 . 1 . . . . . 90 LEU H . 52051 1 503 . 1 . 1 90 90 LEU HA H 1 4.554 0.020 . 1 . . . . . 90 LEU HA . 52051 1 504 . 1 . 1 90 90 LEU HB3 H 1 1.930 0.020 . 2 . . . . . 90 LEU HB3 . 52051 1 505 . 1 . 1 90 90 LEU C C 13 176.252 0.400 . 1 . . . . . 90 LEU C . 52051 1 506 . 1 . 1 90 90 LEU CA C 13 53.699 0.400 . 1 . . . . . 90 LEU CA . 52051 1 507 . 1 . 1 90 90 LEU CB C 13 41.252 0.400 . 1 . . . . . 90 LEU CB . 52051 1 508 . 1 . 1 90 90 LEU N N 15 113.210 0.400 . 1 . . . . . 90 LEU N . 52051 1 509 . 1 . 1 91 91 LYS H H 1 8.023 0.020 . 1 . . . . . 91 LYS H . 52051 1 510 . 1 . 1 91 91 LYS HA H 1 4.812 0.020 . 1 . . . . . 91 LYS HA . 52051 1 511 . 1 . 1 91 91 LYS C C 13 174.210 0.400 . 1 . . . . . 91 LYS C . 52051 1 512 . 1 . 1 91 91 LYS CA C 13 54.522 0.400 . 1 . . . . . 91 LYS CA . 52051 1 513 . 1 . 1 91 91 LYS CB C 13 36.406 0.400 . 1 . . . . . 91 LYS CB . 52051 1 514 . 1 . 1 91 91 LYS N N 15 119.473 0.400 . 1 . . . . . 91 LYS N . 52051 1 515 . 1 . 1 92 92 LEU H H 1 8.698 0.020 . 1 . . . . . 92 LEU H . 52051 1 516 . 1 . 1 92 92 LEU CA C 13 54.427 0.400 . 1 . . . . . 92 LEU CA . 52051 1 517 . 1 . 1 92 92 LEU CB C 13 41.681 0.400 . 1 . . . . . 92 LEU CB . 52051 1 518 . 1 . 1 92 92 LEU N N 15 121.742 0.400 . 1 . . . . . 92 LEU N . 52051 1 519 . 1 . 1 94 94 PRO HA H 1 4.559 0.020 . 1 . . . . . 94 PRO HA . 52051 1 520 . 1 . 1 94 94 PRO HB3 H 1 1.557 0.020 . 2 . . . . . 94 PRO HB3 . 52051 1 521 . 1 . 1 94 94 PRO C C 13 177.347 0.400 . 1 . . . . . 94 PRO C . 52051 1 522 . 1 . 1 94 94 PRO CA C 13 63.865 0.400 . 1 . . . . . 94 PRO CA . 52051 1 523 . 1 . 1 94 94 PRO CB C 13 31.922 0.400 . 1 . . . . . 94 PRO CB . 52051 1 524 . 1 . 1 95 95 LYS H H 1 8.331 0.020 . 1 . . . . . 95 LYS H . 52051 1 525 . 1 . 1 95 95 LYS HA H 1 4.325 0.020 . 1 . . . . . 95 LYS HA . 52051 1 526 . 1 . 1 95 95 LYS HB3 H 1 1.910 0.020 . 2 . . . . . 95 LYS HB3 . 52051 1 527 . 1 . 1 95 95 LYS CA C 13 57.986 0.400 . 1 . . . . . 95 LYS CA . 52051 1 528 . 1 . 1 95 95 LYS CB C 13 32.092 0.400 . 1 . . . . . 95 LYS CB . 52051 1 529 . 1 . 1 95 95 LYS N N 15 122.166 0.400 . 1 . . . . . 95 LYS N . 52051 1 530 . 1 . 1 96 96 GLY H H 1 7.706 0.020 . 1 . . . . . 96 GLY H . 52051 1 531 . 1 . 1 96 96 GLY HA2 H 1 3.692 0.020 . 2 . . . . . 96 GLY HA2 . 52051 1 532 . 1 . 1 96 96 GLY HA3 H 1 4.250 0.020 . 2 . . . . . 96 GLY HA3 . 52051 1 533 . 1 . 1 96 96 GLY C C 13 172.299 0.400 . 1 . . . . . 96 GLY C . 52051 1 534 . 1 . 1 96 96 GLY CA C 13 44.565 0.400 . 1 . . . . . 96 GLY CA . 52051 1 535 . 1 . 1 96 96 GLY N N 15 106.081 0.400 . 1 . . . . . 96 GLY N . 52051 1 536 . 1 . 1 97 97 ALA H H 1 7.855 0.020 . 1 . . . . . 97 ALA H . 52051 1 537 . 1 . 1 97 97 ALA CA C 13 50.657 0.400 . 1 . . . . . 97 ALA CA . 52051 1 538 . 1 . 1 97 97 ALA CB C 13 21.778 0.400 . 1 . . . . . 97 ALA CB . 52051 1 539 . 1 . 1 97 97 ALA N N 15 119.607 0.400 . 1 . . . . . 97 ALA N . 52051 1 540 . 1 . 1 98 98 TRP H H 1 8.850 0.020 . 1 . . . . . 98 TRP H . 52051 1 541 . 1 . 1 98 98 TRP CA C 13 60.282 0.400 . 1 . . . . . 98 TRP CA . 52051 1 542 . 1 . 1 98 98 TRP CB C 13 29.400 0.400 . 1 . . . . . 98 TRP CB . 52051 1 543 . 1 . 1 98 98 TRP N N 15 120.944 0.400 . 1 . . . . . 98 TRP N . 52051 1 544 . 1 . 1 100 100 PRO HA H 1 4.270 0.020 . 1 . . . . . 100 PRO HA . 52051 1 545 . 1 . 1 100 100 PRO HB3 H 1 1.656 0.020 . 2 . . . . . 100 PRO HB3 . 52051 1 546 . 1 . 1 100 100 PRO C C 13 174.717 0.400 . 1 . . . . . 100 PRO C . 52051 1 547 . 1 . 1 100 100 PRO CA C 13 64.438 0.400 . 1 . . . . . 100 PRO CA . 52051 1 548 . 1 . 1 100 100 PRO CB C 13 31.407 0.400 . 1 . . . . . 100 PRO CB . 52051 1 549 . 1 . 1 101 101 SER H H 1 6.720 0.020 . 1 . . . . . 101 SER H . 52051 1 550 . 1 . 1 101 101 SER HA H 1 4.192 0.020 . 1 . . . . . 101 SER HA . 52051 1 551 . 1 . 1 101 101 SER HB3 H 1 3.844 0.020 . 2 . . . . . 101 SER HB3 . 52051 1 552 . 1 . 1 101 101 SER CA C 13 57.998 0.400 . 1 . . . . . 101 SER CA . 52051 1 553 . 1 . 1 101 101 SER CB C 13 62.552 0.400 . 1 . . . . . 101 SER CB . 52051 1 554 . 1 . 1 101 101 SER N N 15 107.749 0.400 . 1 . . . . . 101 SER N . 52051 1 555 . 1 . 1 102 102 LEU H H 1 7.178 0.020 . 1 . . . . . 102 LEU H . 52051 1 556 . 1 . 1 102 102 LEU HA H 1 4.229 0.020 . 1 . . . . . 102 LEU HA . 52051 1 557 . 1 . 1 102 102 LEU C C 13 172.789 0.400 . 1 . . . . . 102 LEU C . 52051 1 558 . 1 . 1 102 102 LEU CA C 13 54.388 0.400 . 1 . . . . . 102 LEU CA . 52051 1 559 . 1 . 1 102 102 LEU CB C 13 41.681 0.400 . 1 . . . . . 102 LEU CB . 52051 1 560 . 1 . 1 102 102 LEU N N 15 122.876 0.400 . 1 . . . . . 102 LEU N . 52051 1 561 . 1 . 1 103 103 ASN H H 1 7.059 0.020 . 1 . . . . . 103 ASN H . 52051 1 562 . 1 . 1 103 103 ASN HA H 1 5.113 0.020 . 1 . . . . . 103 ASN HA . 52051 1 563 . 1 . 1 103 103 ASN HB3 H 1 3.468 0.020 . 2 . . . . . 103 ASN HB3 . 52051 1 564 . 1 . 1 103 103 ASN C C 13 175.033 0.400 . 1 . . . . . 103 ASN C . 52051 1 565 . 1 . 1 103 103 ASN CA C 13 51.672 0.400 . 1 . . . . . 103 ASN CA . 52051 1 566 . 1 . 1 103 103 ASN CB C 13 38.986 0.400 . 1 . . . . . 103 ASN CB . 52051 1 567 . 1 . 1 103 103 ASN N N 15 109.719 0.400 . 1 . . . . . 103 ASN N . 52051 1 568 . 1 . 1 104 104 ILE H H 1 9.532 0.020 . 1 . . . . . 104 ILE H . 52051 1 569 . 1 . 1 104 104 ILE HA H 1 3.437 0.020 . 1 . . . . . 104 ILE HA . 52051 1 570 . 1 . 1 104 104 ILE C C 13 177.904 0.400 . 1 . . . . . 104 ILE C . 52051 1 571 . 1 . 1 104 104 ILE CA C 13 66.502 0.400 . 1 . . . . . 104 ILE CA . 52051 1 572 . 1 . 1 104 104 ILE CB C 13 39.047 0.400 . 1 . . . . . 104 ILE CB . 52051 1 573 . 1 . 1 104 104 ILE N N 15 121.028 0.400 . 1 . . . . . 104 ILE N . 52051 1 574 . 1 . 1 105 105 ALA H H 1 9.621 0.020 . 1 . . . . . 105 ALA H . 52051 1 575 . 1 . 1 105 105 ALA HA H 1 3.769 0.020 . 1 . . . . . 105 ALA HA . 52051 1 576 . 1 . 1 105 105 ALA HB1 H 1 1.434 0.020 . 1 . . . . . 105 ALA HB1 . 52051 1 577 . 1 . 1 105 105 ALA HB2 H 1 1.434 0.020 . 1 . . . . . 105 ALA HB2 . 52051 1 578 . 1 . 1 105 105 ALA HB3 H 1 1.434 0.020 . 1 . . . . . 105 ALA HB3 . 52051 1 579 . 1 . 1 105 105 ALA C C 13 180.037 0.400 . 1 . . . . . 105 ALA C . 52051 1 580 . 1 . 1 105 105 ALA CA C 13 56.512 0.400 . 1 . . . . . 105 ALA CA . 52051 1 581 . 1 . 1 105 105 ALA CB C 13 17.767 0.400 . 1 . . . . . 105 ALA CB . 52051 1 582 . 1 . 1 105 105 ALA N N 15 121.977 0.400 . 1 . . . . . 105 ALA N . 52051 1 583 . 1 . 1 106 106 THR H H 1 8.520 0.020 . 1 . . . . . 106 THR H . 52051 1 584 . 1 . 1 106 106 THR HA H 1 5.304 0.020 . 1 . . . . . 106 THR HA . 52051 1 585 . 1 . 1 106 106 THR HB H 1 4.322 0.020 . 1 . . . . . 106 THR HB . 52051 1 586 . 1 . 1 106 106 THR C C 13 177.658 0.400 . 1 . . . . . 106 THR C . 52051 1 587 . 1 . 1 106 106 THR CA C 13 66.645 0.400 . 1 . . . . . 106 THR CA . 52051 1 588 . 1 . 1 106 106 THR CB C 13 68.606 0.400 . 1 . . . . . 106 THR CB . 52051 1 589 . 1 . 1 106 106 THR N N 15 113.587 0.400 . 1 . . . . . 106 THR N . 52051 1 590 . 1 . 1 107 107 VAL H H 1 8.167 0.020 . 1 . . . . . 107 VAL H . 52051 1 591 . 1 . 1 107 107 VAL HA H 1 3.793 0.020 . 1 . . . . . 107 VAL HA . 52051 1 592 . 1 . 1 107 107 VAL C C 13 177.890 0.400 . 1 . . . . . 107 VAL C . 52051 1 593 . 1 . 1 107 107 VAL CA C 13 66.925 0.400 . 1 . . . . . 107 VAL CA . 52051 1 594 . 1 . 1 107 107 VAL CB C 13 30.938 0.400 . 1 . . . . . 107 VAL CB . 52051 1 595 . 1 . 1 107 107 VAL N N 15 122.325 0.400 . 1 . . . . . 107 VAL N . 52051 1 596 . 1 . 1 108 108 LEU H H 1 8.641 0.020 . 1 . . . . . 108 LEU H . 52051 1 597 . 1 . 1 108 108 LEU HA H 1 3.895 0.020 . 1 . . . . . 108 LEU HA . 52051 1 598 . 1 . 1 108 108 LEU HB3 H 1 1.197 0.020 . 2 . . . . . 108 LEU HB3 . 52051 1 599 . 1 . 1 108 108 LEU C C 13 178.974 0.400 . 1 . . . . . 108 LEU C . 52051 1 600 . 1 . 1 108 108 LEU CA C 13 58.728 0.400 . 1 . . . . . 108 LEU CA . 52051 1 601 . 1 . 1 108 108 LEU CB C 13 41.225 0.400 . 1 . . . . . 108 LEU CB . 52051 1 602 . 1 . 1 108 108 LEU N N 15 119.598 0.400 . 1 . . . . . 108 LEU N . 52051 1 603 . 1 . 1 109 109 THR H H 1 8.431 0.020 . 1 . . . . . 109 THR H . 52051 1 604 . 1 . 1 109 109 THR HA H 1 4.454 0.020 . 1 . . . . . 109 THR HA . 52051 1 605 . 1 . 1 109 109 THR CA C 13 66.579 0.400 . 1 . . . . . 109 THR CA . 52051 1 606 . 1 . 1 109 109 THR CB C 13 68.383 0.400 . 1 . . . . . 109 THR CB . 52051 1 607 . 1 . 1 109 109 THR N N 15 114.443 0.400 . 1 . . . . . 109 THR N . 52051 1 608 . 1 . 1 110 110 SER H H 1 8.330 0.020 . 1 . . . . . 110 SER H . 52051 1 609 . 1 . 1 110 110 SER HA H 1 4.323 0.020 . 1 . . . . . 110 SER HA . 52051 1 610 . 1 . 1 110 110 SER HB3 H 1 3.959 0.020 . 2 . . . . . 110 SER HB3 . 52051 1 611 . 1 . 1 110 110 SER C C 13 176.798 0.400 . 1 . . . . . 110 SER C . 52051 1 612 . 1 . 1 110 110 SER CA C 13 63.223 0.400 . 1 . . . . . 110 SER CA . 52051 1 613 . 1 . 1 110 110 SER CB C 13 62.020 0.400 . 1 . . . . . 110 SER CB . 52051 1 614 . 1 . 1 110 110 SER N N 15 120.905 0.400 . 1 . . . . . 110 SER N . 52051 1 615 . 1 . 1 111 111 ILE H H 1 8.162 0.020 . 1 . . . . . 111 ILE H . 52051 1 616 . 1 . 1 111 111 ILE HA H 1 3.498 0.020 . 1 . . . . . 111 ILE HA . 52051 1 617 . 1 . 1 111 111 ILE C C 13 176.483 0.400 . 1 . . . . . 111 ILE C . 52051 1 618 . 1 . 1 111 111 ILE CA C 13 65.904 0.400 . 1 . . . . . 111 ILE CA . 52051 1 619 . 1 . 1 111 111 ILE CB C 13 37.571 0.400 . 1 . . . . . 111 ILE CB . 52051 1 620 . 1 . 1 111 111 ILE N N 15 125.162 0.400 . 1 . . . . . 111 ILE N . 52051 1 621 . 1 . 1 112 112 GLN H H 1 8.098 0.020 . 1 . . . . . 112 GLN H . 52051 1 622 . 1 . 1 112 112 GLN HA H 1 4.134 0.020 . 1 . . . . . 112 GLN HA . 52051 1 623 . 1 . 1 112 112 GLN C C 13 178.967 0.400 . 1 . . . . . 112 GLN C . 52051 1 624 . 1 . 1 112 112 GLN CA C 13 59.513 0.400 . 1 . . . . . 112 GLN CA . 52051 1 625 . 1 . 1 112 112 GLN N N 15 121.734 0.400 . 1 . . . . . 112 GLN N . 52051 1 626 . 1 . 1 113 113 LEU H H 1 8.374 0.020 . 1 . . . . . 113 LEU H . 52051 1 627 . 1 . 1 113 113 LEU HA H 1 4.220 0.020 . 1 . . . . . 113 LEU HA . 52051 1 628 . 1 . 1 113 113 LEU HB3 H 1 1.811 0.020 . 2 . . . . . 113 LEU HB3 . 52051 1 629 . 1 . 1 113 113 LEU C C 13 178.553 0.400 . 1 . . . . . 113 LEU C . 52051 1 630 . 1 . 1 113 113 LEU CA C 13 57.947 0.400 . 1 . . . . . 113 LEU CA . 52051 1 631 . 1 . 1 113 113 LEU CB C 13 41.320 0.400 . 1 . . . . . 113 LEU CB . 52051 1 632 . 1 . 1 113 113 LEU N N 15 121.679 0.400 . 1 . . . . . 113 LEU N . 52051 1 633 . 1 . 1 114 114 LEU H H 1 7.916 0.020 . 1 . . . . . 114 LEU H . 52051 1 634 . 1 . 1 114 114 LEU HA H 1 4.132 0.020 . 1 . . . . . 114 LEU HA . 52051 1 635 . 1 . 1 114 114 LEU C C 13 180.183 0.400 . 1 . . . . . 114 LEU C . 52051 1 636 . 1 . 1 114 114 LEU CA C 13 56.536 0.400 . 1 . . . . . 114 LEU CA . 52051 1 637 . 1 . 1 114 114 LEU CB C 13 42.670 0.400 . 1 . . . . . 114 LEU CB . 52051 1 638 . 1 . 1 114 114 LEU N N 15 122.324 0.400 . 1 . . . . . 114 LEU N . 52051 1 639 . 1 . 1 115 115 MET H H 1 8.106 0.020 . 1 . . . . . 115 MET H . 52051 1 640 . 1 . 1 115 115 MET HA H 1 3.609 0.020 . 1 . . . . . 115 MET HA . 52051 1 641 . 1 . 1 115 115 MET C C 13 176.154 0.400 . 1 . . . . . 115 MET C . 52051 1 642 . 1 . 1 115 115 MET CA C 13 60.381 0.400 . 1 . . . . . 115 MET CA . 52051 1 643 . 1 . 1 115 115 MET CB C 13 33.940 0.400 . 1 . . . . . 115 MET CB . 52051 1 644 . 1 . 1 115 115 MET N N 15 117.454 0.400 . 1 . . . . . 115 MET N . 52051 1 645 . 1 . 1 116 116 SER H H 1 7.307 0.020 . 1 . . . . . 116 SER H . 52051 1 646 . 1 . 1 116 116 SER HA H 1 4.553 0.020 . 1 . . . . . 116 SER HA . 52051 1 647 . 1 . 1 116 116 SER HB3 H 1 4.191 0.020 . 2 . . . . . 116 SER HB3 . 52051 1 648 . 1 . 1 116 116 SER C C 13 174.660 0.400 . 1 . . . . . 116 SER C . 52051 1 649 . 1 . 1 116 116 SER CA C 13 61.001 0.400 . 1 . . . . . 116 SER CA . 52051 1 650 . 1 . 1 116 116 SER CB C 13 64.031 0.400 . 1 . . . . . 116 SER CB . 52051 1 651 . 1 . 1 116 116 SER N N 15 110.989 0.400 . 1 . . . . . 116 SER N . 52051 1 652 . 1 . 1 117 117 GLU H H 1 8.557 0.020 . 1 . . . . . 117 GLU H . 52051 1 653 . 1 . 1 117 117 GLU CA C 13 53.831 0.400 . 1 . . . . . 117 GLU CA . 52051 1 654 . 1 . 1 117 117 GLU CB C 13 30.523 0.400 . 1 . . . . . 117 GLU CB . 52051 1 655 . 1 . 1 117 117 GLU N N 15 122.830 0.400 . 1 . . . . . 117 GLU N . 52051 1 656 . 1 . 1 118 118 PRO HA H 1 4.299 0.020 . 1 . . . . . 118 PRO HA . 52051 1 657 . 1 . 1 118 118 PRO C C 13 174.160 0.400 . 1 . . . . . 118 PRO C . 52051 1 658 . 1 . 1 118 118 PRO CA C 13 62.648 0.400 . 1 . . . . . 118 PRO CA . 52051 1 659 . 1 . 1 118 118 PRO CB C 13 31.672 0.400 . 1 . . . . . 118 PRO CB . 52051 1 660 . 1 . 1 119 119 ASN H H 1 8.798 0.020 . 1 . . . . . 119 ASN H . 52051 1 661 . 1 . 1 119 119 ASN CA C 13 49.149 0.400 . 1 . . . . . 119 ASN CA . 52051 1 662 . 1 . 1 119 119 ASN CB C 13 39.321 0.400 . 1 . . . . . 119 ASN CB . 52051 1 663 . 1 . 1 119 119 ASN N N 15 115.876 0.400 . 1 . . . . . 119 ASN N . 52051 1 664 . 1 . 1 120 120 PRO HA H 1 4.000 0.020 . 1 . . . . . 120 PRO HA . 52051 1 665 . 1 . 1 120 120 PRO HB3 H 1 1.890 0.020 . 2 . . . . . 120 PRO HB3 . 52051 1 666 . 1 . 1 120 120 PRO C C 13 175.119 0.400 . 1 . . . . . 120 PRO C . 52051 1 667 . 1 . 1 120 120 PRO CA C 13 63.911 0.400 . 1 . . . . . 120 PRO CA . 52051 1 668 . 1 . 1 120 120 PRO CB C 13 32.286 0.400 . 1 . . . . . 120 PRO CB . 52051 1 669 . 1 . 1 121 121 ASP H H 1 7.688 0.020 . 1 . . . . . 121 ASP H . 52051 1 670 . 1 . 1 121 121 ASP HA H 1 4.603 0.020 . 1 . . . . . 121 ASP HA . 52051 1 671 . 1 . 1 121 121 ASP HB3 H 1 2.689 0.020 . 2 . . . . . 121 ASP HB3 . 52051 1 672 . 1 . 1 121 121 ASP C C 13 175.275 0.400 . 1 . . . . . 121 ASP C . 52051 1 673 . 1 . 1 121 121 ASP CA C 13 55.147 0.400 . 1 . . . . . 121 ASP CA . 52051 1 674 . 1 . 1 121 121 ASP CB C 13 40.718 0.400 . 1 . . . . . 121 ASP CB . 52051 1 675 . 1 . 1 121 121 ASP N N 15 117.616 0.400 . 1 . . . . . 121 ASP N . 52051 1 676 . 1 . 1 122 122 ASP H H 1 6.845 0.020 . 1 . . . . . 122 ASP H . 52051 1 677 . 1 . 1 122 122 ASP CA C 13 51.727 0.400 . 1 . . . . . 122 ASP CA . 52051 1 678 . 1 . 1 122 122 ASP CB C 13 41.297 0.400 . 1 . . . . . 122 ASP CB . 52051 1 679 . 1 . 1 122 122 ASP N N 15 118.850 0.400 . 1 . . . . . 122 ASP N . 52051 1 680 . 1 . 1 123 123 PRO HA H 1 4.184 0.020 . 1 . . . . . 123 PRO HA . 52051 1 681 . 1 . 1 123 123 PRO C C 13 177.434 0.400 . 1 . . . . . 123 PRO C . 52051 1 682 . 1 . 1 123 123 PRO CA C 13 63.459 0.400 . 1 . . . . . 123 PRO CA . 52051 1 683 . 1 . 1 123 123 PRO CB C 13 32.654 0.400 . 1 . . . . . 123 PRO CB . 52051 1 684 . 1 . 1 124 124 LEU H H 1 8.373 0.020 . 1 . . . . . 124 LEU H . 52051 1 685 . 1 . 1 124 124 LEU HA H 1 4.647 0.020 . 1 . . . . . 124 LEU HA . 52051 1 686 . 1 . 1 124 124 LEU HB3 H 1 1.316 0.020 . 2 . . . . . 124 LEU HB3 . 52051 1 687 . 1 . 1 124 124 LEU C C 13 176.685 0.400 . 1 . . . . . 124 LEU C . 52051 1 688 . 1 . 1 124 124 LEU CA C 13 55.524 0.400 . 1 . . . . . 124 LEU CA . 52051 1 689 . 1 . 1 124 124 LEU CB C 13 44.835 0.400 . 1 . . . . . 124 LEU CB . 52051 1 690 . 1 . 1 124 124 LEU N N 15 117.364 0.400 . 1 . . . . . 124 LEU N . 52051 1 691 . 1 . 1 125 125 MET H H 1 7.417 0.020 . 1 . . . . . 125 MET H . 52051 1 692 . 1 . 1 125 125 MET HA H 1 4.981 0.020 . 1 . . . . . 125 MET HA . 52051 1 693 . 1 . 1 125 125 MET C C 13 176.272 0.400 . 1 . . . . . 125 MET C . 52051 1 694 . 1 . 1 125 125 MET CA C 13 51.941 0.400 . 1 . . . . . 125 MET CA . 52051 1 695 . 1 . 1 125 125 MET CB C 13 31.296 0.400 . 1 . . . . . 125 MET CB . 52051 1 696 . 1 . 1 125 125 MET N N 15 117.674 0.400 . 1 . . . . . 125 MET N . 52051 1 697 . 1 . 1 126 126 ALA H H 1 9.102 0.020 . 1 . . . . . 126 ALA H . 52051 1 698 . 1 . 1 126 126 ALA HA H 1 3.898 0.020 . 1 . . . . . 126 ALA HA . 52051 1 699 . 1 . 1 126 126 ALA HB1 H 1 1.488 0.020 . 1 . . . . . 126 ALA HB1 . 52051 1 700 . 1 . 1 126 126 ALA HB2 H 1 1.488 0.020 . 1 . . . . . 126 ALA HB2 . 52051 1 701 . 1 . 1 126 126 ALA HB3 H 1 1.488 0.020 . 1 . . . . . 126 ALA HB3 . 52051 1 702 . 1 . 1 126 126 ALA C C 13 179.694 0.400 . 1 . . . . . 126 ALA C . 52051 1 703 . 1 . 1 126 126 ALA CA C 13 56.326 0.400 . 1 . . . . . 126 ALA CA . 52051 1 704 . 1 . 1 126 126 ALA CB C 13 18.478 0.400 . 1 . . . . . 126 ALA CB . 52051 1 705 . 1 . 1 126 126 ALA N N 15 129.101 0.400 . 1 . . . . . 126 ALA N . 52051 1 706 . 1 . 1 127 127 ASP H H 1 8.921 0.020 . 1 . . . . . 127 ASP H . 52051 1 707 . 1 . 1 127 127 ASP HA H 1 4.437 0.020 . 1 . . . . . 127 ASP HA . 52051 1 708 . 1 . 1 127 127 ASP HB3 H 1 2.736 0.020 . 2 . . . . . 127 ASP HB3 . 52051 1 709 . 1 . 1 127 127 ASP C C 13 179.160 0.400 . 1 . . . . . 127 ASP C . 52051 1 710 . 1 . 1 127 127 ASP CA C 13 56.950 0.400 . 1 . . . . . 127 ASP CA . 52051 1 711 . 1 . 1 127 127 ASP CB C 13 39.044 0.400 . 1 . . . . . 127 ASP CB . 52051 1 712 . 1 . 1 127 127 ASP N N 15 117.987 0.400 . 1 . . . . . 127 ASP N . 52051 1 713 . 1 . 1 128 128 ILE H H 1 7.361 0.020 . 1 . . . . . 128 ILE H . 52051 1 714 . 1 . 1 128 128 ILE HA H 1 3.650 0.020 . 1 . . . . . 128 ILE HA . 52051 1 715 . 1 . 1 128 128 ILE C C 13 177.715 0.400 . 1 . . . . . 128 ILE C . 52051 1 716 . 1 . 1 128 128 ILE CA C 13 65.518 0.400 . 1 . . . . . 128 ILE CA . 52051 1 717 . 1 . 1 128 128 ILE CB C 13 37.771 0.400 . 1 . . . . . 128 ILE CB . 52051 1 718 . 1 . 1 128 128 ILE N N 15 121.581 0.400 . 1 . . . . . 128 ILE N . 52051 1 719 . 1 . 1 129 129 SER H H 1 8.304 0.020 . 1 . . . . . 129 SER H . 52051 1 720 . 1 . 1 129 129 SER HA H 1 4.052 0.020 . 1 . . . . . 129 SER HA . 52051 1 721 . 1 . 1 129 129 SER C C 13 176.032 0.400 . 1 . . . . . 129 SER C . 52051 1 722 . 1 . 1 129 129 SER CA C 13 62.858 0.400 . 1 . . . . . 129 SER CA . 52051 1 723 . 1 . 1 129 129 SER N N 15 114.573 0.400 . 1 . . . . . 129 SER N . 52051 1 724 . 1 . 1 130 130 SER H H 1 7.990 0.020 . 1 . . . . . 130 SER H . 52051 1 725 . 1 . 1 130 130 SER HA H 1 4.158 0.020 . 1 . . . . . 130 SER HA . 52051 1 726 . 1 . 1 130 130 SER C C 13 175.852 0.400 . 1 . . . . . 130 SER C . 52051 1 727 . 1 . 1 130 130 SER CA C 13 62.024 0.400 . 1 . . . . . 130 SER CA . 52051 1 728 . 1 . 1 130 130 SER N N 15 114.706 0.400 . 1 . . . . . 130 SER N . 52051 1 729 . 1 . 1 131 131 GLU H H 1 7.850 0.020 . 1 . . . . . 131 GLU H . 52051 1 730 . 1 . 1 131 131 GLU HA H 1 4.051 0.020 . 1 . . . . . 131 GLU HA . 52051 1 731 . 1 . 1 131 131 GLU C C 13 177.342 0.400 . 1 . . . . . 131 GLU C . 52051 1 732 . 1 . 1 131 131 GLU CA C 13 60.068 0.400 . 1 . . . . . 131 GLU CA . 52051 1 733 . 1 . 1 131 131 GLU CB C 13 31.856 0.400 . 1 . . . . . 131 GLU CB . 52051 1 734 . 1 . 1 131 131 GLU N N 15 123.677 0.400 . 1 . . . . . 131 GLU N . 52051 1 735 . 1 . 1 132 132 PHE H H 1 7.834 0.020 . 1 . . . . . 132 PHE H . 52051 1 736 . 1 . 1 132 132 PHE HA H 1 3.406 0.020 . 1 . . . . . 132 PHE HA . 52051 1 737 . 1 . 1 132 132 PHE HB3 H 1 2.185 0.020 . 2 . . . . . 132 PHE HB3 . 52051 1 738 . 1 . 1 132 132 PHE C C 13 175.464 0.400 . 1 . . . . . 132 PHE C . 52051 1 739 . 1 . 1 132 132 PHE CA C 13 62.176 0.400 . 1 . . . . . 132 PHE CA . 52051 1 740 . 1 . 1 132 132 PHE CB C 13 39.557 0.400 . 1 . . . . . 132 PHE CB . 52051 1 741 . 1 . 1 132 132 PHE N N 15 117.273 0.400 . 1 . . . . . 132 PHE N . 52051 1 742 . 1 . 1 133 133 LYS H H 1 7.831 0.020 . 1 . . . . . 133 LYS H . 52051 1 743 . 1 . 1 133 133 LYS HA H 1 3.617 0.020 . 1 . . . . . 133 LYS HA . 52051 1 744 . 1 . 1 133 133 LYS C C 13 179.054 0.400 . 1 . . . . . 133 LYS C . 52051 1 745 . 1 . 1 133 133 LYS CA C 13 59.312 0.400 . 1 . . . . . 133 LYS CA . 52051 1 746 . 1 . 1 133 133 LYS CB C 13 33.369 0.400 . 1 . . . . . 133 LYS CB . 52051 1 747 . 1 . 1 133 133 LYS N N 15 114.010 0.400 . 1 . . . . . 133 LYS N . 52051 1 748 . 1 . 1 134 134 TYR H H 1 8.248 0.020 . 1 . . . . . 134 TYR H . 52051 1 749 . 1 . 1 134 134 TYR HA H 1 4.838 0.020 . 1 . . . . . 134 TYR HA . 52051 1 750 . 1 . 1 134 134 TYR HB3 H 1 3.296 0.020 . 2 . . . . . 134 TYR HB3 . 52051 1 751 . 1 . 1 134 134 TYR C C 13 175.911 0.400 . 1 . . . . . 134 TYR C . 52051 1 752 . 1 . 1 134 134 TYR CA C 13 58.110 0.400 . 1 . . . . . 134 TYR CA . 52051 1 753 . 1 . 1 134 134 TYR CB C 13 39.334 0.400 . 1 . . . . . 134 TYR CB . 52051 1 754 . 1 . 1 134 134 TYR N N 15 114.590 0.400 . 1 . . . . . 134 TYR N . 52051 1 755 . 1 . 1 135 135 ASN H H 1 8.849 0.020 . 1 . . . . . 135 ASN H . 52051 1 756 . 1 . 1 135 135 ASN HA H 1 4.226 0.020 . 1 . . . . . 135 ASN HA . 52051 1 757 . 1 . 1 135 135 ASN CA C 13 50.943 0.400 . 1 . . . . . 135 ASN CA . 52051 1 758 . 1 . 1 135 135 ASN CB C 13 37.817 0.400 . 1 . . . . . 135 ASN CB . 52051 1 759 . 1 . 1 135 135 ASN N N 15 123.302 0.400 . 1 . . . . . 135 ASN N . 52051 1 760 . 1 . 1 136 136 LYS H H 1 8.694 0.020 . 1 . . . . . 136 LYS H . 52051 1 761 . 1 . 1 136 136 LYS CA C 13 61.115 0.400 . 1 . . . . . 136 LYS CA . 52051 1 762 . 1 . 1 136 136 LYS CB C 13 29.900 0.400 . 1 . . . . . 136 LYS CB . 52051 1 763 . 1 . 1 136 136 LYS N N 15 122.947 0.400 . 1 . . . . . 136 LYS N . 52051 1 764 . 1 . 1 137 137 PRO HA H 1 4.261 0.020 . 1 . . . . . 137 PRO HA . 52051 1 765 . 1 . 1 137 137 PRO C C 13 179.838 0.400 . 1 . . . . . 137 PRO C . 52051 1 766 . 1 . 1 137 137 PRO CA C 13 66.953 0.400 . 1 . . . . . 137 PRO CA . 52051 1 767 . 1 . 1 137 137 PRO CB C 13 31.362 0.400 . 1 . . . . . 137 PRO CB . 52051 1 768 . 1 . 1 138 138 ALA H H 1 7.349 0.020 . 1 . . . . . 138 ALA H . 52051 1 769 . 1 . 1 138 138 ALA HA H 1 4.163 0.020 . 1 . . . . . 138 ALA HA . 52051 1 770 . 1 . 1 138 138 ALA HB1 H 1 1.455 0.020 . 1 . . . . . 138 ALA HB1 . 52051 1 771 . 1 . 1 138 138 ALA HB2 H 1 1.455 0.020 . 1 . . . . . 138 ALA HB2 . 52051 1 772 . 1 . 1 138 138 ALA HB3 H 1 1.455 0.020 . 1 . . . . . 138 ALA HB3 . 52051 1 773 . 1 . 1 138 138 ALA CA C 13 54.779 0.400 . 1 . . . . . 138 ALA CA . 52051 1 774 . 1 . 1 138 138 ALA CB C 13 18.868 0.400 . 1 . . . . . 138 ALA CB . 52051 1 775 . 1 . 1 138 138 ALA N N 15 120.000 0.400 . 1 . . . . . 138 ALA N . 52051 1 776 . 1 . 1 139 139 PHE H H 1 7.944 0.020 . 1 . . . . . 139 PHE H . 52051 1 777 . 1 . 1 139 139 PHE HA H 1 4.646 0.020 . 1 . . . . . 139 PHE HA . 52051 1 778 . 1 . 1 139 139 PHE HB3 H 1 3.173 0.020 . 2 . . . . . 139 PHE HB3 . 52051 1 779 . 1 . 1 139 139 PHE C C 13 176.606 0.400 . 1 . . . . . 139 PHE C . 52051 1 780 . 1 . 1 139 139 PHE CA C 13 61.781 0.400 . 1 . . . . . 139 PHE CA . 52051 1 781 . 1 . 1 139 139 PHE CB C 13 38.708 0.400 . 1 . . . . . 139 PHE CB . 52051 1 782 . 1 . 1 139 139 PHE N N 15 121.372 0.400 . 1 . . . . . 139 PHE N . 52051 1 783 . 1 . 1 140 140 LEU H H 1 8.777 0.020 . 1 . . . . . 140 LEU H . 52051 1 784 . 1 . 1 140 140 LEU HA H 1 3.570 0.020 . 1 . . . . . 140 LEU HA . 52051 1 785 . 1 . 1 140 140 LEU C C 13 179.195 0.400 . 1 . . . . . 140 LEU C . 52051 1 786 . 1 . 1 140 140 LEU CA C 13 58.189 0.400 . 1 . . . . . 140 LEU CA . 52051 1 787 . 1 . 1 140 140 LEU CB C 13 41.871 0.400 . 1 . . . . . 140 LEU CB . 52051 1 788 . 1 . 1 140 140 LEU N N 15 118.338 0.400 . 1 . . . . . 140 LEU N . 52051 1 789 . 1 . 1 141 141 LYS H H 1 7.546 0.020 . 1 . . . . . 141 LYS H . 52051 1 790 . 1 . 1 141 141 LYS HA H 1 3.905 0.020 . 1 . . . . . 141 LYS HA . 52051 1 791 . 1 . 1 141 141 LYS HB3 H 1 1.864 0.020 . 2 . . . . . 141 LYS HB3 . 52051 1 792 . 1 . 1 141 141 LYS C C 13 179.148 0.400 . 1 . . . . . 141 LYS C . 52051 1 793 . 1 . 1 141 141 LYS CA C 13 59.740 0.400 . 1 . . . . . 141 LYS CA . 52051 1 794 . 1 . 1 141 141 LYS CB C 13 32.308 0.400 . 1 . . . . . 141 LYS CB . 52051 1 795 . 1 . 1 141 141 LYS N N 15 118.961 0.400 . 1 . . . . . 141 LYS N . 52051 1 796 . 1 . 1 142 142 ASN H H 1 8.332 0.020 . 1 . . . . . 142 ASN H . 52051 1 797 . 1 . 1 142 142 ASN HA H 1 4.338 0.020 . 1 . . . . . 142 ASN HA . 52051 1 798 . 1 . 1 142 142 ASN C C 13 177.259 0.400 . 1 . . . . . 142 ASN C . 52051 1 799 . 1 . 1 142 142 ASN CA C 13 55.958 0.400 . 1 . . . . . 142 ASN CA . 52051 1 800 . 1 . 1 142 142 ASN CB C 13 38.037 0.400 . 1 . . . . . 142 ASN CB . 52051 1 801 . 1 . 1 142 142 ASN N N 15 119.272 0.400 . 1 . . . . . 142 ASN N . 52051 1 802 . 1 . 1 143 143 ALA H H 1 8.950 0.020 . 1 . . . . . 143 ALA H . 52051 1 803 . 1 . 1 143 143 ALA HA H 1 3.920 0.020 . 1 . . . . . 143 ALA HA . 52051 1 804 . 1 . 1 143 143 ALA C C 13 181.078 0.400 . 1 . . . . . 143 ALA C . 52051 1 805 . 1 . 1 143 143 ALA CA C 13 55.623 0.400 . 1 . . . . . 143 ALA CA . 52051 1 806 . 1 . 1 143 143 ALA CB C 13 17.787 0.400 . 1 . . . . . 143 ALA CB . 52051 1 807 . 1 . 1 143 143 ALA N N 15 123.353 0.400 . 1 . . . . . 143 ALA N . 52051 1 808 . 1 . 1 144 144 ARG H H 1 8.207 0.020 . 1 . . . . . 144 ARG H . 52051 1 809 . 1 . 1 144 144 ARG HA H 1 3.946 0.020 . 1 . . . . . 144 ARG HA . 52051 1 810 . 1 . 1 144 144 ARG C C 13 179.139 0.400 . 1 . . . . . 144 ARG C . 52051 1 811 . 1 . 1 144 144 ARG CA C 13 59.659 0.400 . 1 . . . . . 144 ARG CA . 52051 1 812 . 1 . 1 144 144 ARG CB C 13 30.505 0.400 . 1 . . . . . 144 ARG CB . 52051 1 813 . 1 . 1 144 144 ARG N N 15 120.689 0.400 . 1 . . . . . 144 ARG N . 52051 1 814 . 1 . 1 145 145 GLN H H 1 8.294 0.020 . 1 . . . . . 145 GLN H . 52051 1 815 . 1 . 1 145 145 GLN HA H 1 4.177 0.020 . 1 . . . . . 145 GLN HA . 52051 1 816 . 1 . 1 145 145 GLN HB3 H 1 2.299 0.020 . 2 . . . . . 145 GLN HB3 . 52051 1 817 . 1 . 1 145 145 GLN HE21 H 1 7.156 0.020 . 2 . . . . . 145 GLN HE21 . 52051 1 818 . 1 . 1 145 145 GLN HE22 H 1 6.869 0.020 . 2 . . . . . 145 GLN HE22 . 52051 1 819 . 1 . 1 145 145 GLN C C 13 179.375 0.400 . 1 . . . . . 145 GLN C . 52051 1 820 . 1 . 1 145 145 GLN CA C 13 59.531 0.400 . 1 . . . . . 145 GLN CA . 52051 1 821 . 1 . 1 145 145 GLN CB C 13 28.268 0.400 . 1 . . . . . 145 GLN CB . 52051 1 822 . 1 . 1 145 145 GLN CG C 13 34.690 0.400 . 1 . . . . . 145 GLN CG . 52051 1 823 . 1 . 1 145 145 GLN N N 15 120.891 0.400 . 1 . . . . . 145 GLN N . 52051 1 824 . 1 . 1 145 145 GLN NE2 N 15 110.677 0.400 . 1 . . . . . 145 GLN NE2 . 52051 1 825 . 1 . 1 146 146 TRP H H 1 8.905 0.020 . 1 . . . . . 146 TRP H . 52051 1 826 . 1 . 1 146 146 TRP CA C 13 61.609 0.400 . 1 . . . . . 146 TRP CA . 52051 1 827 . 1 . 1 146 146 TRP CB C 13 28.885 0.400 . 1 . . . . . 146 TRP CB . 52051 1 828 . 1 . 1 146 146 TRP N N 15 121.397 0.400 . 1 . . . . . 146 TRP N . 52051 1 829 . 1 . 1 148 148 GLU HA H 1 3.812 0.020 . 1 . . . . . 148 GLU HA . 52051 1 830 . 1 . 1 148 148 GLU HB3 H 1 2.073 0.020 . 2 . . . . . 148 GLU HB3 . 52051 1 831 . 1 . 1 148 148 GLU C C 13 177.816 0.400 . 1 . . . . . 148 GLU C . 52051 1 832 . 1 . 1 148 148 GLU CA C 13 60.200 0.400 . 1 . . . . . 148 GLU CA . 52051 1 833 . 1 . 1 148 148 GLU CB C 13 33.530 0.400 . 1 . . . . . 148 GLU CB . 52051 1 834 . 1 . 1 149 149 LYS H H 1 7.913 0.020 . 1 . . . . . 149 LYS H . 52051 1 835 . 1 . 1 149 149 LYS HA H 1 3.908 0.020 . 1 . . . . . 149 LYS HA . 52051 1 836 . 1 . 1 149 149 LYS C C 13 178.175 0.400 . 1 . . . . . 149 LYS C . 52051 1 837 . 1 . 1 149 149 LYS CA C 13 58.578 0.400 . 1 . . . . . 149 LYS CA . 52051 1 838 . 1 . 1 149 149 LYS CB C 13 33.530 0.400 . 1 . . . . . 149 LYS CB . 52051 1 839 . 1 . 1 149 149 LYS N N 15 115.809 0.400 . 1 . . . . . 149 LYS N . 52051 1 840 . 1 . 1 150 150 HIS H H 1 7.656 0.020 . 1 . . . . . 150 HIS H . 52051 1 841 . 1 . 1 150 150 HIS HA H 1 4.893 0.020 . 1 . . . . . 150 HIS HA . 52051 1 842 . 1 . 1 150 150 HIS HB3 H 1 2.762 0.020 . 2 . . . . . 150 HIS HB3 . 52051 1 843 . 1 . 1 150 150 HIS C C 13 175.950 0.400 . 1 . . . . . 150 HIS C . 52051 1 844 . 1 . 1 150 150 HIS CA C 13 57.085 0.400 . 1 . . . . . 150 HIS CA . 52051 1 845 . 1 . 1 150 150 HIS CB C 13 33.817 0.400 . 1 . . . . . 150 HIS CB . 52051 1 846 . 1 . 1 150 150 HIS N N 15 111.578 0.400 . 1 . . . . . 150 HIS N . 52051 1 847 . 1 . 1 151 151 ALA H H 1 8.383 0.020 . 1 . . . . . 151 ALA H . 52051 1 848 . 1 . 1 151 151 ALA HA H 1 4.790 0.020 . 1 . . . . . 151 ALA HA . 52051 1 849 . 1 . 1 151 151 ALA HB1 H 1 0.997 0.020 . 1 . . . . . 151 ALA HB1 . 52051 1 850 . 1 . 1 151 151 ALA HB2 H 1 0.997 0.020 . 1 . . . . . 151 ALA HB2 . 52051 1 851 . 1 . 1 151 151 ALA HB3 H 1 0.997 0.020 . 1 . . . . . 151 ALA HB3 . 52051 1 852 . 1 . 1 151 151 ALA C C 13 176.465 0.400 . 1 . . . . . 151 ALA C . 52051 1 853 . 1 . 1 151 151 ALA CA C 13 51.455 0.400 . 1 . . . . . 151 ALA CA . 52051 1 854 . 1 . 1 151 151 ALA CB C 13 21.401 0.400 . 1 . . . . . 151 ALA CB . 52051 1 855 . 1 . 1 151 151 ALA N N 15 122.357 0.400 . 1 . . . . . 151 ALA N . 52051 1 856 . 1 . 1 152 152 ARG H H 1 7.631 0.020 . 1 . . . . . 152 ARG H . 52051 1 857 . 1 . 1 152 152 ARG HA H 1 4.601 0.020 . 1 . . . . . 152 ARG HA . 52051 1 858 . 1 . 1 152 152 ARG HB3 H 1 1.788 0.020 . 2 . . . . . 152 ARG HB3 . 52051 1 859 . 1 . 1 152 152 ARG C C 13 176.331 0.400 . 1 . . . . . 152 ARG C . 52051 1 860 . 1 . 1 152 152 ARG CA C 13 55.478 0.400 . 1 . . . . . 152 ARG CA . 52051 1 861 . 1 . 1 152 152 ARG CB C 13 30.913 0.400 . 1 . . . . . 152 ARG CB . 52051 1 862 . 1 . 1 152 152 ARG N N 15 118.756 0.400 . 1 . . . . . 152 ARG N . 52051 1 863 . 1 . 1 153 153 GLN H H 1 8.473 0.020 . 1 . . . . . 153 GLN H . 52051 1 864 . 1 . 1 153 153 GLN HA H 1 4.272 0.020 . 1 . . . . . 153 GLN HA . 52051 1 865 . 1 . 1 153 153 GLN HB3 H 1 2.028 0.020 . 2 . . . . . 153 GLN HB3 . 52051 1 866 . 1 . 1 153 153 GLN HE21 H 1 7.633 0.020 . 2 . . . . . 153 GLN HE21 . 52051 1 867 . 1 . 1 153 153 GLN HE22 H 1 6.857 0.020 . 2 . . . . . 153 GLN HE22 . 52051 1 868 . 1 . 1 153 153 GLN C C 13 175.062 0.400 . 1 . . . . . 153 GLN C . 52051 1 869 . 1 . 1 153 153 GLN CA C 13 56.187 0.400 . 1 . . . . . 153 GLN CA . 52051 1 870 . 1 . 1 153 153 GLN CB C 13 29.467 0.400 . 1 . . . . . 153 GLN CB . 52051 1 871 . 1 . 1 153 153 GLN CG C 13 33.877 0.400 . 1 . . . . . 153 GLN CG . 52051 1 872 . 1 . 1 153 153 GLN N N 15 122.613 0.400 . 1 . . . . . 153 GLN N . 52051 1 873 . 1 . 1 153 153 GLN NE2 N 15 112.350 0.400 . 1 . . . . . 153 GLN NE2 . 52051 1 874 . 1 . 1 154 154 LYS H H 1 8.111 0.020 . 1 . . . . . 154 LYS H . 52051 1 875 . 1 . 1 154 154 LYS C C 13 181.342 0.400 . 1 . . . . . 154 LYS C . 52051 1 876 . 1 . 1 154 154 LYS CA C 13 57.873 0.400 . 1 . . . . . 154 LYS CA . 52051 1 877 . 1 . 1 154 154 LYS CB C 13 33.605 0.400 . 1 . . . . . 154 LYS CB . 52051 1 878 . 1 . 1 154 154 LYS N N 15 128.945 0.400 . 1 . . . . . 154 LYS N . 52051 1 stop_ save_