data_50955 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50955 _Entry.Title ; Backbone Chemical Shift Assignments of human glutathione peroxidase 4 (GPx4) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-28 _Entry.Accession_date 2021-05-28 _Entry.Last_release_date 2021-05-28 _Entry.Original_release_date 2021-05-28 _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 . _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 Courtney Labrecque . L. . 0000-0002-6075-853X 50955 2 Brian Fuglestad . . . 0000-0001-8304-8269 50955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 50955 '15N chemical shifts' 154 50955 '1H chemical shifts' 154 50955 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 . . 2021-11-07 2021-05-28 update BMRB 'update entry citation' 50955 1 . . 2021-09-08 2021-05-28 original author 'original release' 50955 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50955 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34492183 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Electrostatic Drivers of GPx4 Interactions with Membrane, Lipids, and DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 37 _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 2761 _Citation.Page_last 2772 _Citation.Year 2021 _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 Courtney Labrecque . L. . . 50955 1 2 Brian Fuglestad . . . . 50955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50955 _Assembly.ID 1 _Assembly.Name GPx4 _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 GPx4 1 $entity_1 . . yes native no no . . . 50955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50955 _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 ; SMRCARSMHEFSAKDIDGHM VNLDKYRGFVCIVTNVASQG GKTEVNYTQLVDLHARYAEC GLRILAFPCNQFGKQEPGSN EEIKEFAAGYNVKFDMFSKI CVNGDDAHPLWKWMKIQPKG KGILGNAIKWNFTKFLIDKN GCVVKRYGPMEEPLVIEKDL PHYF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'human, cytosolic GPx4, truncated at position 8, U46 mutated to G' _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 164 _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 U46G _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 7 SER . 50955 1 2 8 MET . 50955 1 3 9 ARG . 50955 1 4 10 CYS . 50955 1 5 11 ALA . 50955 1 6 12 ARG . 50955 1 7 13 SER . 50955 1 8 14 MET . 50955 1 9 15 HIS . 50955 1 10 16 GLU . 50955 1 11 17 PHE . 50955 1 12 18 SER . 50955 1 13 19 ALA . 50955 1 14 20 LYS . 50955 1 15 21 ASP . 50955 1 16 22 ILE . 50955 1 17 23 ASP . 50955 1 18 24 GLY . 50955 1 19 25 HIS . 50955 1 20 26 MET . 50955 1 21 27 VAL . 50955 1 22 28 ASN . 50955 1 23 29 LEU . 50955 1 24 30 ASP . 50955 1 25 31 LYS . 50955 1 26 32 TYR . 50955 1 27 33 ARG . 50955 1 28 34 GLY . 50955 1 29 35 PHE . 50955 1 30 36 VAL . 50955 1 31 37 CYS . 50955 1 32 38 ILE . 50955 1 33 39 VAL . 50955 1 34 40 THR . 50955 1 35 41 ASN . 50955 1 36 42 VAL . 50955 1 37 43 ALA . 50955 1 38 44 SER . 50955 1 39 45 GLN . 50955 1 40 46 GLY . 50955 1 41 47 GLY . 50955 1 42 48 LYS . 50955 1 43 49 THR . 50955 1 44 50 GLU . 50955 1 45 51 VAL . 50955 1 46 52 ASN . 50955 1 47 53 TYR . 50955 1 48 54 THR . 50955 1 49 55 GLN . 50955 1 50 56 LEU . 50955 1 51 57 VAL . 50955 1 52 58 ASP . 50955 1 53 59 LEU . 50955 1 54 60 HIS . 50955 1 55 61 ALA . 50955 1 56 62 ARG . 50955 1 57 63 TYR . 50955 1 58 64 ALA . 50955 1 59 65 GLU . 50955 1 60 66 CYS . 50955 1 61 67 GLY . 50955 1 62 68 LEU . 50955 1 63 69 ARG . 50955 1 64 70 ILE . 50955 1 65 71 LEU . 50955 1 66 72 ALA . 50955 1 67 73 PHE . 50955 1 68 74 PRO . 50955 1 69 75 CYS . 50955 1 70 76 ASN . 50955 1 71 77 GLN . 50955 1 72 78 PHE . 50955 1 73 79 GLY . 50955 1 74 80 LYS . 50955 1 75 81 GLN . 50955 1 76 82 GLU . 50955 1 77 83 PRO . 50955 1 78 84 GLY . 50955 1 79 85 SER . 50955 1 80 86 ASN . 50955 1 81 87 GLU . 50955 1 82 88 GLU . 50955 1 83 89 ILE . 50955 1 84 90 LYS . 50955 1 85 91 GLU . 50955 1 86 92 PHE . 50955 1 87 93 ALA . 50955 1 88 94 ALA . 50955 1 89 95 GLY . 50955 1 90 96 TYR . 50955 1 91 97 ASN . 50955 1 92 98 VAL . 50955 1 93 99 LYS . 50955 1 94 100 PHE . 50955 1 95 101 ASP . 50955 1 96 102 MET . 50955 1 97 103 PHE . 50955 1 98 104 SER . 50955 1 99 105 LYS . 50955 1 100 106 ILE . 50955 1 101 107 CYS . 50955 1 102 108 VAL . 50955 1 103 109 ASN . 50955 1 104 110 GLY . 50955 1 105 111 ASP . 50955 1 106 112 ASP . 50955 1 107 113 ALA . 50955 1 108 114 HIS . 50955 1 109 115 PRO . 50955 1 110 116 LEU . 50955 1 111 117 TRP . 50955 1 112 118 LYS . 50955 1 113 119 TRP . 50955 1 114 120 MET . 50955 1 115 121 LYS . 50955 1 116 122 ILE . 50955 1 117 123 GLN . 50955 1 118 124 PRO . 50955 1 119 125 LYS . 50955 1 120 126 GLY . 50955 1 121 127 LYS . 50955 1 122 128 GLY . 50955 1 123 129 ILE . 50955 1 124 130 LEU . 50955 1 125 131 GLY . 50955 1 126 132 ASN . 50955 1 127 133 ALA . 50955 1 128 134 ILE . 50955 1 129 135 LYS . 50955 1 130 136 TRP . 50955 1 131 137 ASN . 50955 1 132 138 PHE . 50955 1 133 139 THR . 50955 1 134 140 LYS . 50955 1 135 141 PHE . 50955 1 136 142 LEU . 50955 1 137 143 ILE . 50955 1 138 144 ASP . 50955 1 139 145 LYS . 50955 1 140 146 ASN . 50955 1 141 147 GLY . 50955 1 142 148 CYS . 50955 1 143 149 VAL . 50955 1 144 150 VAL . 50955 1 145 151 LYS . 50955 1 146 152 ARG . 50955 1 147 153 TYR . 50955 1 148 154 GLY . 50955 1 149 155 PRO . 50955 1 150 156 MET . 50955 1 151 157 GLU . 50955 1 152 158 GLU . 50955 1 153 159 PRO . 50955 1 154 160 LEU . 50955 1 155 161 VAL . 50955 1 156 162 ILE . 50955 1 157 163 GLU . 50955 1 158 164 LYS . 50955 1 159 165 ASP . 50955 1 160 166 LEU . 50955 1 161 167 PRO . 50955 1 162 168 HIS . 50955 1 163 169 TYR . 50955 1 164 170 PHE . 50955 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 . SER 1 1 50955 1 . MET 2 2 50955 1 . ARG 3 3 50955 1 . CYS 4 4 50955 1 . ALA 5 5 50955 1 . ARG 6 6 50955 1 . SER 7 7 50955 1 . MET 8 8 50955 1 . HIS 9 9 50955 1 . GLU 10 10 50955 1 . PHE 11 11 50955 1 . SER 12 12 50955 1 . ALA 13 13 50955 1 . LYS 14 14 50955 1 . ASP 15 15 50955 1 . ILE 16 16 50955 1 . ASP 17 17 50955 1 . GLY 18 18 50955 1 . HIS 19 19 50955 1 . MET 20 20 50955 1 . VAL 21 21 50955 1 . ASN 22 22 50955 1 . LEU 23 23 50955 1 . ASP 24 24 50955 1 . LYS 25 25 50955 1 . TYR 26 26 50955 1 . ARG 27 27 50955 1 . GLY 28 28 50955 1 . PHE 29 29 50955 1 . VAL 30 30 50955 1 . CYS 31 31 50955 1 . ILE 32 32 50955 1 . VAL 33 33 50955 1 . THR 34 34 50955 1 . ASN 35 35 50955 1 . VAL 36 36 50955 1 . ALA 37 37 50955 1 . SER 38 38 50955 1 . GLN 39 39 50955 1 . GLY 40 40 50955 1 . GLY 41 41 50955 1 . LYS 42 42 50955 1 . THR 43 43 50955 1 . GLU 44 44 50955 1 . VAL 45 45 50955 1 . ASN 46 46 50955 1 . TYR 47 47 50955 1 . THR 48 48 50955 1 . GLN 49 49 50955 1 . LEU 50 50 50955 1 . VAL 51 51 50955 1 . ASP 52 52 50955 1 . LEU 53 53 50955 1 . HIS 54 54 50955 1 . ALA 55 55 50955 1 . ARG 56 56 50955 1 . TYR 57 57 50955 1 . ALA 58 58 50955 1 . GLU 59 59 50955 1 . CYS 60 60 50955 1 . GLY 61 61 50955 1 . LEU 62 62 50955 1 . ARG 63 63 50955 1 . ILE 64 64 50955 1 . LEU 65 65 50955 1 . ALA 66 66 50955 1 . PHE 67 67 50955 1 . PRO 68 68 50955 1 . CYS 69 69 50955 1 . ASN 70 70 50955 1 . GLN 71 71 50955 1 . PHE 72 72 50955 1 . GLY 73 73 50955 1 . LYS 74 74 50955 1 . GLN 75 75 50955 1 . GLU 76 76 50955 1 . PRO 77 77 50955 1 . GLY 78 78 50955 1 . SER 79 79 50955 1 . ASN 80 80 50955 1 . GLU 81 81 50955 1 . GLU 82 82 50955 1 . ILE 83 83 50955 1 . LYS 84 84 50955 1 . GLU 85 85 50955 1 . PHE 86 86 50955 1 . ALA 87 87 50955 1 . ALA 88 88 50955 1 . GLY 89 89 50955 1 . TYR 90 90 50955 1 . ASN 91 91 50955 1 . VAL 92 92 50955 1 . LYS 93 93 50955 1 . PHE 94 94 50955 1 . ASP 95 95 50955 1 . MET 96 96 50955 1 . PHE 97 97 50955 1 . SER 98 98 50955 1 . LYS 99 99 50955 1 . ILE 100 100 50955 1 . CYS 101 101 50955 1 . VAL 102 102 50955 1 . ASN 103 103 50955 1 . GLY 104 104 50955 1 . ASP 105 105 50955 1 . ASP 106 106 50955 1 . ALA 107 107 50955 1 . HIS 108 108 50955 1 . PRO 109 109 50955 1 . LEU 110 110 50955 1 . TRP 111 111 50955 1 . LYS 112 112 50955 1 . TRP 113 113 50955 1 . MET 114 114 50955 1 . LYS 115 115 50955 1 . ILE 116 116 50955 1 . GLN 117 117 50955 1 . PRO 118 118 50955 1 . LYS 119 119 50955 1 . GLY 120 120 50955 1 . LYS 121 121 50955 1 . GLY 122 122 50955 1 . ILE 123 123 50955 1 . LEU 124 124 50955 1 . GLY 125 125 50955 1 . ASN 126 126 50955 1 . ALA 127 127 50955 1 . ILE 128 128 50955 1 . LYS 129 129 50955 1 . TRP 130 130 50955 1 . ASN 131 131 50955 1 . PHE 132 132 50955 1 . THR 133 133 50955 1 . LYS 134 134 50955 1 . PHE 135 135 50955 1 . LEU 136 136 50955 1 . ILE 137 137 50955 1 . ASP 138 138 50955 1 . LYS 139 139 50955 1 . ASN 140 140 50955 1 . GLY 141 141 50955 1 . CYS 142 142 50955 1 . VAL 143 143 50955 1 . VAL 144 144 50955 1 . LYS 145 145 50955 1 . ARG 146 146 50955 1 . TYR 147 147 50955 1 . GLY 148 148 50955 1 . PRO 149 149 50955 1 . MET 150 150 50955 1 . GLU 151 151 50955 1 . GLU 152 152 50955 1 . PRO 153 153 50955 1 . LEU 154 154 50955 1 . VAL 155 155 50955 1 . ILE 156 156 50955 1 . GLU 157 157 50955 1 . LYS 158 158 50955 1 . ASP 159 159 50955 1 . LEU 160 160 50955 1 . PRO 161 161 50955 1 . HIS 162 162 50955 1 . TYR 163 163 50955 1 . PHE 164 164 50955 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 50955 _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 . . . . . . . . . . . . . 50955 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 50955 _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 . . . plasmid . . pNIC28-Bsa4 . . . 50955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50955 _Sample.ID 1 _Sample.Name 'GPx4 assignment sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 GPx4 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 50955 1 2 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 50955 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50955 1 4 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 50955 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 50955 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'GPx4 assignment conditions' _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 pH 6.0 . pH 50955 1 pressure 1 . atm 50955 1 temperature 298.15 . K 50955 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50955 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50955 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50955 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50955 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50955 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50955 3 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 50955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'VCU 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50955 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'VCU 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 50955 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50955 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50955 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 50955 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'GPx4 referencing' _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 0.00 na indirect 0.251449530 . . . . . 50955 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50955 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50955 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 50955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GPx4 assignmet list' _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50955 1 2 '2D 1H-15N HSQC' . . . 50955 1 3 '3D HNCA' . . . 50955 1 4 '3D HN(CO)CA' . . . 50955 1 5 '3D HNCO' . . . 50955 1 6 '3D HN(CA)CO' . . . 50955 1 7 '3D HNCACB' . . . 50955 1 8 '3D CBCA(CO)NH' . . . 50955 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50955 1 2 $software_2 . . 50955 1 3 $software_3 . . 50955 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 MET C C 13 176.03 . . . . . . . . 8 MET C . 50955 1 2 . 1 . 1 2 2 MET CA C 13 55.87 . . . . . . . . 8 MET CA . 50955 1 3 . 1 . 1 2 2 MET CB C 13 32.97 . . . . . . . . 8 MET CB . 50955 1 4 . 1 . 1 3 3 ARG H H 1 8.427 . . . . . . . . 9 ARG H . 50955 1 5 . 1 . 1 3 3 ARG C C 13 176.05 . . . . . . . . 9 ARG C . 50955 1 6 . 1 . 1 3 3 ARG CA C 13 56.49 . . . . . . . . 9 ARG CA . 50955 1 7 . 1 . 1 3 3 ARG CB C 13 30.82 . . . . . . . . 9 ARG CB . 50955 1 8 . 1 . 1 3 3 ARG N N 15 122.68 . . . . . . . . 9 ARG N . 50955 1 9 . 1 . 1 4 4 CYS H H 1 8.358 . . . . . . . . 10 CYS H . 50955 1 10 . 1 . 1 4 4 CYS C C 13 174.08 . . . . . . . . 10 CYS C . 50955 1 11 . 1 . 1 4 4 CYS CA C 13 57.95 . . . . . . . . 10 CYS CA . 50955 1 12 . 1 . 1 4 4 CYS CB C 13 28.18 . . . . . . . . 10 CYS CB . 50955 1 13 . 1 . 1 4 4 CYS N N 15 121.53 . . . . . . . . 10 CYS N . 50955 1 14 . 1 . 1 5 5 ALA H H 1 8.412 . . . . . . . . 11 ALA H . 50955 1 15 . 1 . 1 5 5 ALA C C 13 178.37 . . . . . . . . 11 ALA C . 50955 1 16 . 1 . 1 5 5 ALA CA C 13 52.72 . . . . . . . . 11 ALA CA . 50955 1 17 . 1 . 1 5 5 ALA CB C 13 20.25 . . . . . . . . 11 ALA CB . 50955 1 18 . 1 . 1 5 5 ALA N N 15 126.82 . . . . . . . . 11 ALA N . 50955 1 19 . 1 . 1 6 6 ARG H H 1 9.163 . . . . . . . . 12 ARG H . 50955 1 20 . 1 . 1 6 6 ARG C C 13 175.91 . . . . . . . . 12 ARG C . 50955 1 21 . 1 . 1 6 6 ARG CA C 13 55.76 . . . . . . . . 12 ARG CA . 50955 1 22 . 1 . 1 6 6 ARG CB C 13 32.01 . . . . . . . . 12 ARG CB . 50955 1 23 . 1 . 1 6 6 ARG N N 15 120.28 . . . . . . . . 12 ARG N . 50955 1 24 . 1 . 1 7 7 SER H H 1 7.094 . . . . . . . . 13 SER H . 50955 1 25 . 1 . 1 7 7 SER C C 13 173.26 . . . . . . . . 13 SER C . 50955 1 26 . 1 . 1 7 7 SER CA C 13 56.69 . . . . . . . . 13 SER CA . 50955 1 27 . 1 . 1 7 7 SER CB C 13 65.76 . . . . . . . . 13 SER CB . 50955 1 28 . 1 . 1 7 7 SER N N 15 112.61 . . . . . . . . 13 SER N . 50955 1 29 . 1 . 1 8 8 MET H H 1 9.325 . . . . . . . . 14 MET H . 50955 1 30 . 1 . 1 8 8 MET C C 13 175.37 . . . . . . . . 14 MET C . 50955 1 31 . 1 . 1 8 8 MET CA C 13 58.07 . . . . . . . . 14 MET CA . 50955 1 32 . 1 . 1 8 8 MET CB C 13 34.29 . . . . . . . . 14 MET CB . 50955 1 33 . 1 . 1 8 8 MET N N 15 125.46 . . . . . . . . 14 MET N . 50955 1 34 . 1 . 1 9 9 HIS H H 1 7.524 . . . . . . . . 15 HIS H . 50955 1 35 . 1 . 1 9 9 HIS C C 13 174.9 . . . . . . . . 15 HIS C . 50955 1 36 . 1 . 1 9 9 HIS CA C 13 55.51 . . . . . . . . 15 HIS CA . 50955 1 37 . 1 . 1 9 9 HIS CB C 13 31.88 . . . . . . . . 15 HIS CB . 50955 1 38 . 1 . 1 9 9 HIS N N 15 112.89 . . . . . . . . 15 HIS N . 50955 1 39 . 1 . 1 10 10 GLU H H 1 7.012 . . . . . . . . 16 GLU H . 50955 1 40 . 1 . 1 10 10 GLU C C 13 175.62 . . . . . . . . 16 GLU C . 50955 1 41 . 1 . 1 10 10 GLU CA C 13 56.66 . . . . . . . . 16 GLU CA . 50955 1 42 . 1 . 1 10 10 GLU CB C 13 29.83 . . . . . . . . 16 GLU CB . 50955 1 43 . 1 . 1 10 10 GLU N N 15 115.18 . . . . . . . . 16 GLU N . 50955 1 44 . 1 . 1 11 11 PHE H H 1 7.517 . . . . . . . . 17 PHE H . 50955 1 45 . 1 . 1 11 11 PHE C C 13 173.91 . . . . . . . . 17 PHE C . 50955 1 46 . 1 . 1 11 11 PHE CA C 13 58.34 . . . . . . . . 17 PHE CA . 50955 1 47 . 1 . 1 11 11 PHE CB C 13 42.16 . . . . . . . . 17 PHE CB . 50955 1 48 . 1 . 1 11 11 PHE N N 15 117.27 . . . . . . . . 17 PHE N . 50955 1 49 . 1 . 1 12 12 SER H H 1 8.804 . . . . . . . . 18 SER H . 50955 1 50 . 1 . 1 12 12 SER C C 13 173.03 . . . . . . . . 18 SER C . 50955 1 51 . 1 . 1 12 12 SER CA C 13 57.65 . . . . . . . . 18 SER CA . 50955 1 52 . 1 . 1 12 12 SER CB C 13 67.01 . . . . . . . . 18 SER CB . 50955 1 53 . 1 . 1 12 12 SER N N 15 113.97 . . . . . . . . 18 SER N . 50955 1 54 . 1 . 1 13 13 ALA H H 1 9.302 . . . . . . . . 19 ALA H . 50955 1 55 . 1 . 1 13 13 ALA C C 13 175.98 . . . . . . . . 19 ALA C . 50955 1 56 . 1 . 1 13 13 ALA CA C 13 51.72 . . . . . . . . 19 ALA CA . 50955 1 57 . 1 . 1 13 13 ALA CB C 13 23.19 . . . . . . . . 19 ALA CB . 50955 1 58 . 1 . 1 13 13 ALA N N 15 121.61 . . . . . . . . 19 ALA N . 50955 1 59 . 1 . 1 14 14 LYS H H 1 9.01 . . . . . . . . 20 LYS H . 50955 1 60 . 1 . 1 14 14 LYS C C 13 178.11 . . . . . . . . 20 LYS C . 50955 1 61 . 1 . 1 14 14 LYS CA C 13 56.46 . . . . . . . . 20 LYS CA . 50955 1 62 . 1 . 1 14 14 LYS CB C 13 33.61 . . . . . . . . 20 LYS CB . 50955 1 63 . 1 . 1 14 14 LYS N N 15 121.94 . . . . . . . . 20 LYS N . 50955 1 64 . 1 . 1 15 15 ASP H H 1 9.828 . . . . . . . . 21 ASP H . 50955 1 65 . 1 . 1 15 15 ASP C C 13 177.8 . . . . . . . . 21 ASP C . 50955 1 66 . 1 . 1 15 15 ASP CA C 13 53.84 . . . . . . . . 21 ASP CA . 50955 1 67 . 1 . 1 15 15 ASP CB C 13 40.21 . . . . . . . . 21 ASP CB . 50955 1 68 . 1 . 1 15 15 ASP N N 15 128.16 . . . . . . . . 21 ASP N . 50955 1 69 . 1 . 1 16 16 ILE H H 1 7.598 . . . . . . . . 22 ILE H . 50955 1 70 . 1 . 1 16 16 ILE C C 13 173.96 . . . . . . . . 22 ILE C . 50955 1 71 . 1 . 1 16 16 ILE CA C 13 64.1 . . . . . . . . 22 ILE CA . 50955 1 72 . 1 . 1 16 16 ILE CB C 13 38.59 . . . . . . . . 22 ILE CB . 50955 1 73 . 1 . 1 16 16 ILE N N 15 120.8 . . . . . . . . 22 ILE N . 50955 1 74 . 1 . 1 17 17 ASP H H 1 7.571 . . . . . . . . 23 ASP H . 50955 1 75 . 1 . 1 17 17 ASP C C 13 175.95 . . . . . . . . 23 ASP C . 50955 1 76 . 1 . 1 17 17 ASP CA C 13 54.25 . . . . . . . . 23 ASP CA . 50955 1 77 . 1 . 1 17 17 ASP CB C 13 42.09 . . . . . . . . 23 ASP CB . 50955 1 78 . 1 . 1 17 17 ASP N N 15 119.93 . . . . . . . . 23 ASP N . 50955 1 79 . 1 . 1 18 18 GLY H H 1 8.131 . . . . . . . . 24 GLY H . 50955 1 80 . 1 . 1 18 18 GLY C C 13 174.2 . . . . . . . . 24 GLY C . 50955 1 81 . 1 . 1 18 18 GLY CA C 13 45.47 . . . . . . . . 24 GLY CA . 50955 1 82 . 1 . 1 18 18 GLY N N 15 107.62 . . . . . . . . 24 GLY N . 50955 1 83 . 1 . 1 19 19 HIS H H 1 8.549 . . . . . . . . 25 HIS H . 50955 1 84 . 1 . 1 19 19 HIS C C 13 174.99 . . . . . . . . 25 HIS C . 50955 1 85 . 1 . 1 19 19 HIS CA C 13 54.28 . . . . . . . . 25 HIS CA . 50955 1 86 . 1 . 1 19 19 HIS CB C 13 28.93 . . . . . . . . 25 HIS CB . 50955 1 87 . 1 . 1 19 19 HIS N N 15 121.22 . . . . . . . . 25 HIS N . 50955 1 88 . 1 . 1 20 20 MET H H 1 9.118 . . . . . . . . 26 MET H . 50955 1 89 . 1 . 1 20 20 MET C C 13 175.62 . . . . . . . . 26 MET C . 50955 1 90 . 1 . 1 20 20 MET CA C 13 55.74 . . . . . . . . 26 MET CA . 50955 1 91 . 1 . 1 20 20 MET CB C 13 30.6 . . . . . . . . 26 MET CB . 50955 1 92 . 1 . 1 20 20 MET N N 15 125.02 . . . . . . . . 26 MET N . 50955 1 93 . 1 . 1 21 21 VAL H H 1 9.069 . . . . . . . . 27 VAL H . 50955 1 94 . 1 . 1 21 21 VAL C C 13 175.24 . . . . . . . . 27 VAL C . 50955 1 95 . 1 . 1 21 21 VAL CA C 13 61.8 . . . . . . . . 27 VAL CA . 50955 1 96 . 1 . 1 21 21 VAL CB C 13 34.54 . . . . . . . . 27 VAL CB . 50955 1 97 . 1 . 1 21 21 VAL N N 15 129.28 . . . . . . . . 27 VAL N . 50955 1 98 . 1 . 1 22 22 ASN H H 1 8.714 . . . . . . . . 28 ASN H . 50955 1 99 . 1 . 1 22 22 ASN C C 13 176.98 . . . . . . . . 28 ASN C . 50955 1 100 . 1 . 1 22 22 ASN CA C 13 52.97 . . . . . . . . 28 ASN CA . 50955 1 101 . 1 . 1 22 22 ASN CB C 13 38.46 . . . . . . . . 28 ASN CB . 50955 1 102 . 1 . 1 22 22 ASN N N 15 125.81 . . . . . . . . 28 ASN N . 50955 1 103 . 1 . 1 23 23 LEU H H 1 9.006 . . . . . . . . 29 LEU H . 50955 1 104 . 1 . 1 23 23 LEU C C 13 176.99 . . . . . . . . 29 LEU C . 50955 1 105 . 1 . 1 23 23 LEU CA C 13 57.18 . . . . . . . . 29 LEU CA . 50955 1 106 . 1 . 1 23 23 LEU CB C 13 38.63 . . . . . . . . 29 LEU CB . 50955 1 107 . 1 . 1 23 23 LEU N N 15 123.6 . . . . . . . . 29 LEU N . 50955 1 108 . 1 . 1 24 24 ASP H H 1 8.494 . . . . . . . . 30 ASP H . 50955 1 109 . 1 . 1 24 24 ASP C C 13 178.56 . . . . . . . . 30 ASP C . 50955 1 110 . 1 . 1 24 24 ASP CA C 13 56.46 . . . . . . . . 30 ASP CA . 50955 1 111 . 1 . 1 24 24 ASP CB C 13 38.84 . . . . . . . . 30 ASP CB . 50955 1 112 . 1 . 1 24 24 ASP N N 15 121.18 . . . . . . . . 30 ASP N . 50955 1 113 . 1 . 1 25 25 LYS H H 1 7.79 . . . . . . . . 31 LYS H . 50955 1 114 . 1 . 1 25 25 LYS C C 13 176.95 . . . . . . . . 31 LYS C . 50955 1 115 . 1 . 1 25 25 LYS CA C 13 58.11 . . . . . . . . 31 LYS CA . 50955 1 116 . 1 . 1 25 25 LYS CB C 13 31.25 . . . . . . . . 31 LYS CB . 50955 1 117 . 1 . 1 25 25 LYS N N 15 120.36 . . . . . . . . 31 LYS N . 50955 1 118 . 1 . 1 26 26 TYR H H 1 7.653 . . . . . . . . 32 TYR H . 50955 1 119 . 1 . 1 26 26 TYR C C 13 174.7 . . . . . . . . 32 TYR C . 50955 1 120 . 1 . 1 26 26 TYR CA C 13 59.52 . . . . . . . . 32 TYR CA . 50955 1 121 . 1 . 1 26 26 TYR CB C 13 38.06 . . . . . . . . 32 TYR CB . 50955 1 122 . 1 . 1 26 26 TYR N N 15 117.88 . . . . . . . . 32 TYR N . 50955 1 123 . 1 . 1 27 27 ARG H H 1 7.229 . . . . . . . . 33 ARG H . 50955 1 124 . 1 . 1 27 27 ARG C C 13 176.74 . . . . . . . . 33 ARG C . 50955 1 125 . 1 . 1 27 27 ARG CA C 13 58.65 . . . . . . . . 33 ARG CA . 50955 1 126 . 1 . 1 27 27 ARG CB C 13 29.3 . . . . . . . . 33 ARG CB . 50955 1 127 . 1 . 1 27 27 ARG N N 15 123.51 . . . . . . . . 33 ARG N . 50955 1 128 . 1 . 1 28 28 GLY H H 1 8.728 . . . . . . . . 34 GLY H . 50955 1 129 . 1 . 1 28 28 GLY C C 13 172.41 . . . . . . . . 34 GLY C . 50955 1 130 . 1 . 1 28 28 GLY CA C 13 45.09 . . . . . . . . 34 GLY CA . 50955 1 131 . 1 . 1 28 28 GLY N N 15 113.2 . . . . . . . . 34 GLY N . 50955 1 132 . 1 . 1 29 29 PHE H H 1 8.332 . . . . . . . . 35 PHE H . 50955 1 133 . 1 . 1 29 29 PHE C C 13 174.17 . . . . . . . . 35 PHE C . 50955 1 134 . 1 . 1 29 29 PHE CA C 13 57.2 . . . . . . . . 35 PHE CA . 50955 1 135 . 1 . 1 29 29 PHE CB C 13 40 . . . . . . . . 35 PHE CB . 50955 1 136 . 1 . 1 29 29 PHE N N 15 119.46 . . . . . . . . 35 PHE N . 50955 1 137 . 1 . 1 30 30 VAL H H 1 8.187 . . . . . . . . 36 VAL H . 50955 1 138 . 1 . 1 30 30 VAL C C 13 175.87 . . . . . . . . 36 VAL C . 50955 1 139 . 1 . 1 30 30 VAL CA C 13 61.86 . . . . . . . . 36 VAL CA . 50955 1 140 . 1 . 1 30 30 VAL CB C 13 33.47 . . . . . . . . 36 VAL CB . 50955 1 141 . 1 . 1 30 30 VAL N N 15 122.36 . . . . . . . . 36 VAL N . 50955 1 142 . 1 . 1 31 31 CYS H H 1 8.996 . . . . . . . . 37 CYS H . 50955 1 143 . 1 . 1 31 31 CYS C C 13 174.52 . . . . . . . . 37 CYS C . 50955 1 144 . 1 . 1 31 31 CYS CA C 13 56.13 . . . . . . . . 37 CYS CA . 50955 1 145 . 1 . 1 31 31 CYS CB C 13 30.99 . . . . . . . . 37 CYS CB . 50955 1 146 . 1 . 1 31 31 CYS N N 15 121.07 . . . . . . . . 37 CYS N . 50955 1 147 . 1 . 1 32 32 ILE H H 1 8.457 . . . . . . . . 38 ILE H . 50955 1 148 . 1 . 1 32 32 ILE C C 13 174.34 . . . . . . . . 38 ILE C . 50955 1 149 . 1 . 1 32 32 ILE CA C 13 60.03 . . . . . . . . 38 ILE CA . 50955 1 150 . 1 . 1 32 32 ILE CB C 13 40.13 . . . . . . . . 38 ILE CB . 50955 1 151 . 1 . 1 32 32 ILE N N 15 121.63 . . . . . . . . 38 ILE N . 50955 1 152 . 1 . 1 33 33 VAL H H 1 9.325 . . . . . . . . 39 VAL H . 50955 1 153 . 1 . 1 33 33 VAL C C 13 175.69 . . . . . . . . 39 VAL C . 50955 1 154 . 1 . 1 33 33 VAL CA C 13 60.91 . . . . . . . . 39 VAL CA . 50955 1 155 . 1 . 1 33 33 VAL CB C 13 33.46 . . . . . . . . 39 VAL CB . 50955 1 156 . 1 . 1 33 33 VAL N N 15 127.97 . . . . . . . . 39 VAL N . 50955 1 157 . 1 . 1 34 34 THR H H 1 9.071 . . . . . . . . 40 THR H . 50955 1 158 . 1 . 1 34 34 THR C C 13 171 . . . . . . . . 40 THR C . 50955 1 159 . 1 . 1 34 34 THR CA C 13 59.14 . . . . . . . . 40 THR CA . 50955 1 160 . 1 . 1 34 34 THR CB C 13 71.45 . . . . . . . . 40 THR CB . 50955 1 161 . 1 . 1 34 34 THR N N 15 120.7 . . . . . . . . 40 THR N . 50955 1 162 . 1 . 1 35 35 ASN H H 1 8.858 . . . . . . . . 41 ASN H . 50955 1 163 . 1 . 1 35 35 ASN C C 13 174.69 . . . . . . . . 41 ASN C . 50955 1 164 . 1 . 1 35 35 ASN CA C 13 50.98 . . . . . . . . 41 ASN CA . 50955 1 165 . 1 . 1 35 35 ASN CB C 13 36.83 . . . . . . . . 41 ASN CB . 50955 1 166 . 1 . 1 35 35 ASN N N 15 125.71 . . . . . . . . 41 ASN N . 50955 1 167 . 1 . 1 36 36 VAL H H 1 8.158 . . . . . . . . 42 VAL H . 50955 1 168 . 1 . 1 36 36 VAL C C 13 173.66 . . . . . . . . 42 VAL C . 50955 1 169 . 1 . 1 36 36 VAL CA C 13 58.12 . . . . . . . . 42 VAL CA . 50955 1 170 . 1 . 1 36 36 VAL CB C 13 34.98 . . . . . . . . 42 VAL CB . 50955 1 171 . 1 . 1 36 36 VAL N N 15 113.12 . . . . . . . . 42 VAL N . 50955 1 172 . 1 . 1 37 37 ALA H H 1 6.339 . . . . . . . . 43 ALA H . 50955 1 173 . 1 . 1 37 37 ALA C C 13 178.4 . . . . . . . . 43 ALA C . 50955 1 174 . 1 . 1 37 37 ALA CA C 13 52.4 . . . . . . . . 43 ALA CA . 50955 1 175 . 1 . 1 37 37 ALA CB C 13 21.63 . . . . . . . . 43 ALA CB . 50955 1 176 . 1 . 1 37 37 ALA N N 15 119.63 . . . . . . . . 43 ALA N . 50955 1 177 . 1 . 1 38 38 SER H H 1 8.077 . . . . . . . . 44 SER H . 50955 1 178 . 1 . 1 38 38 SER C C 13 174.08 . . . . . . . . 44 SER C . 50955 1 179 . 1 . 1 38 38 SER CA C 13 61.66 . . . . . . . . 44 SER CA . 50955 1 180 . 1 . 1 38 38 SER CB C 13 63.37 . . . . . . . . 44 SER CB . 50955 1 181 . 1 . 1 38 38 SER N N 15 119.09 . . . . . . . . 44 SER N . 50955 1 182 . 1 . 1 39 39 GLN H H 1 8.422 . . . . . . . . 45 GLN H . 50955 1 183 . 1 . 1 39 39 GLN C C 13 175.58 . . . . . . . . 45 GLN C . 50955 1 184 . 1 . 1 39 39 GLN CA C 13 53.98 . . . . . . . . 45 GLN CA . 50955 1 185 . 1 . 1 39 39 GLN CB C 13 27.77 . . . . . . . . 45 GLN CB . 50955 1 186 . 1 . 1 39 39 GLN N N 15 119 . . . . . . . . 45 GLN N . 50955 1 187 . 1 . 1 40 40 GLY H H 1 8.031 . . . . . . . . 46 GLY H . 50955 1 188 . 1 . 1 40 40 GLY C C 13 176.95 . . . . . . . . 46 GLY C . 50955 1 189 . 1 . 1 40 40 GLY CA C 13 45.24 . . . . . . . . 46 GLY CA . 50955 1 190 . 1 . 1 40 40 GLY N N 15 106.18 . . . . . . . . 46 GLY N . 50955 1 191 . 1 . 1 41 41 GLY H H 1 9.217 . . . . . . . . 47 GLY H . 50955 1 192 . 1 . 1 41 41 GLY C C 13 176.11 . . . . . . . . 47 GLY C . 50955 1 193 . 1 . 1 41 41 GLY CA C 13 46.93 . . . . . . . . 47 GLY CA . 50955 1 194 . 1 . 1 41 41 GLY N N 15 112.22 . . . . . . . . 47 GLY N . 50955 1 195 . 1 . 1 42 42 LYS H H 1 8.874 . . . . . . . . 48 LYS H . 50955 1 196 . 1 . 1 42 42 LYS C C 13 177.47 . . . . . . . . 48 LYS C . 50955 1 197 . 1 . 1 42 42 LYS CA C 13 53.8 . . . . . . . . 48 LYS CA . 50955 1 198 . 1 . 1 42 42 LYS CB C 13 31.03 . . . . . . . . 48 LYS CB . 50955 1 199 . 1 . 1 42 42 LYS N N 15 116.63 . . . . . . . . 48 LYS N . 50955 1 200 . 1 . 1 43 43 THR H H 1 7.68 . . . . . . . . 49 THR H . 50955 1 201 . 1 . 1 43 43 THR C C 13 174.89 . . . . . . . . 49 THR C . 50955 1 202 . 1 . 1 43 43 THR CA C 13 68.85 . . . . . . . . 49 THR CA . 50955 1 203 . 1 . 1 43 43 THR CB C 13 70.24 . . . . . . . . 49 THR CB . 50955 1 204 . 1 . 1 43 43 THR N N 15 121.91 . . . . . . . . 49 THR N . 50955 1 205 . 1 . 1 44 44 GLU H H 1 8.774 . . . . . . . . 50 GLU H . 50955 1 206 . 1 . 1 44 44 GLU C C 13 179.83 . . . . . . . . 50 GLU C . 50955 1 207 . 1 . 1 44 44 GLU CA C 13 60.65 . . . . . . . . 50 GLU CA . 50955 1 208 . 1 . 1 44 44 GLU CB C 13 29.22 . . . . . . . . 50 GLU CB . 50955 1 209 . 1 . 1 44 44 GLU N N 15 121.46 . . . . . . . . 50 GLU N . 50955 1 210 . 1 . 1 45 45 VAL H H 1 8.353 . . . . . . . . 51 VAL H . 50955 1 211 . 1 . 1 45 45 VAL C C 13 176.51 . . . . . . . . 51 VAL C . 50955 1 212 . 1 . 1 45 45 VAL CA C 13 65.55 . . . . . . . . 51 VAL CA . 50955 1 213 . 1 . 1 45 45 VAL CB C 13 31.49 . . . . . . . . 51 VAL CB . 50955 1 214 . 1 . 1 45 45 VAL N N 15 120.11 . . . . . . . . 51 VAL N . 50955 1 215 . 1 . 1 46 46 ASN H H 1 7.429 . . . . . . . . 52 ASN H . 50955 1 216 . 1 . 1 46 46 ASN C C 13 177.37 . . . . . . . . 52 ASN C . 50955 1 217 . 1 . 1 46 46 ASN CA C 13 57.88 . . . . . . . . 52 ASN CA . 50955 1 218 . 1 . 1 46 46 ASN CB C 13 40.16 . . . . . . . . 52 ASN CB . 50955 1 219 . 1 . 1 46 46 ASN N N 15 116.35 . . . . . . . . 52 ASN N . 50955 1 220 . 1 . 1 47 47 TYR H H 1 8.551 . . . . . . . . 53 TYR H . 50955 1 221 . 1 . 1 47 47 TYR C C 13 178.72 . . . . . . . . 53 TYR C . 50955 1 222 . 1 . 1 47 47 TYR CA C 13 65.72 . . . . . . . . 53 TYR CA . 50955 1 223 . 1 . 1 47 47 TYR CB C 13 37.38 . . . . . . . . 53 TYR CB . 50955 1 224 . 1 . 1 47 47 TYR N N 15 116.46 . . . . . . . . 53 TYR N . 50955 1 225 . 1 . 1 48 48 THR H H 1 8.042 . . . . . . . . 54 THR H . 50955 1 226 . 1 . 1 48 48 THR CA C 13 66.65 . . . . . . . . 54 THR CA . 50955 1 227 . 1 . 1 48 48 THR CB C 13 69.08 . . . . . . . . 54 THR CB . 50955 1 228 . 1 . 1 48 48 THR N N 15 108.81 . . . . . . . . 54 THR N . 50955 1 229 . 1 . 1 49 49 GLN H H 1 7.829 . . . . . . . . 55 GLN H . 50955 1 230 . 1 . 1 49 49 GLN C C 13 178.94 . . . . . . . . 55 GLN C . 50955 1 231 . 1 . 1 49 49 GLN CA C 13 59.54 . . . . . . . . 55 GLN CA . 50955 1 232 . 1 . 1 49 49 GLN CB C 13 28.69 . . . . . . . . 55 GLN CB . 50955 1 233 . 1 . 1 49 49 GLN N N 15 119.73 . . . . . . . . 55 GLN N . 50955 1 234 . 1 . 1 50 50 LEU H H 1 8.622 . . . . . . . . 56 LEU H . 50955 1 235 . 1 . 1 50 50 LEU C C 13 178.56 . . . . . . . . 56 LEU C . 50955 1 236 . 1 . 1 50 50 LEU CA C 13 58.82 . . . . . . . . 56 LEU CA . 50955 1 237 . 1 . 1 50 50 LEU CB C 13 41.62 . . . . . . . . 56 LEU CB . 50955 1 238 . 1 . 1 50 50 LEU N N 15 120.35 . . . . . . . . 56 LEU N . 50955 1 239 . 1 . 1 51 51 VAL H H 1 8.41 . . . . . . . . 57 VAL H . 50955 1 240 . 1 . 1 51 51 VAL C C 13 178.59 . . . . . . . . 57 VAL C . 50955 1 241 . 1 . 1 51 51 VAL CA C 13 67.55 . . . . . . . . 57 VAL CA . 50955 1 242 . 1 . 1 51 51 VAL CB C 13 32.22 . . . . . . . . 57 VAL CB . 50955 1 243 . 1 . 1 51 51 VAL N N 15 119.37 . . . . . . . . 57 VAL N . 50955 1 244 . 1 . 1 52 52 ASP H H 1 7.743 . . . . . . . . 58 ASP H . 50955 1 245 . 1 . 1 52 52 ASP C C 13 177.89 . . . . . . . . 58 ASP C . 50955 1 246 . 1 . 1 52 52 ASP CA C 13 57.75 . . . . . . . . 58 ASP CA . 50955 1 247 . 1 . 1 52 52 ASP CB C 13 42.1 . . . . . . . . 58 ASP CB . 50955 1 248 . 1 . 1 52 52 ASP N N 15 120.68 . . . . . . . . 58 ASP N . 50955 1 249 . 1 . 1 53 53 LEU H H 1 8.563 . . . . . . . . 59 LEU H . 50955 1 250 . 1 . 1 53 53 LEU C C 13 179.22 . . . . . . . . 59 LEU C . 50955 1 251 . 1 . 1 53 53 LEU CA C 13 58.16 . . . . . . . . 59 LEU CA . 50955 1 252 . 1 . 1 53 53 LEU CB C 13 42.96 . . . . . . . . 59 LEU CB . 50955 1 253 . 1 . 1 53 53 LEU N N 15 117.98 . . . . . . . . 59 LEU N . 50955 1 254 . 1 . 1 54 54 HIS H H 1 8.692 . . . . . . . . 60 HIS H . 50955 1 255 . 1 . 1 54 54 HIS C C 13 177.3 . . . . . . . . 60 HIS C . 50955 1 256 . 1 . 1 54 54 HIS CA C 13 61.07 . . . . . . . . 60 HIS CA . 50955 1 257 . 1 . 1 54 54 HIS CB C 13 32.3 . . . . . . . . 60 HIS CB . 50955 1 258 . 1 . 1 54 54 HIS N N 15 118.69 . . . . . . . . 60 HIS N . 50955 1 259 . 1 . 1 55 55 ALA H H 1 8.829 . . . . . . . . 61 ALA H . 50955 1 260 . 1 . 1 55 55 ALA C C 13 181.48 . . . . . . . . 61 ALA C . 50955 1 261 . 1 . 1 55 55 ALA CA C 13 55.18 . . . . . . . . 61 ALA CA . 50955 1 262 . 1 . 1 55 55 ALA CB C 13 18.25 . . . . . . . . 61 ALA CB . 50955 1 263 . 1 . 1 55 55 ALA N N 15 120.48 . . . . . . . . 61 ALA N . 50955 1 264 . 1 . 1 56 56 ARG H H 1 7.951 . . . . . . . . 62 ARG H . 50955 1 265 . 1 . 1 56 56 ARG C C 13 178.34 . . . . . . . . 62 ARG C . 50955 1 266 . 1 . 1 56 56 ARG CA C 13 58.91 . . . . . . . . 62 ARG CA . 50955 1 267 . 1 . 1 56 56 ARG CB C 13 31.02 . . . . . . . . 62 ARG CB . 50955 1 268 . 1 . 1 56 56 ARG N N 15 114.84 . . . . . . . . 62 ARG N . 50955 1 269 . 1 . 1 57 57 TYR H H 1 8.342 . . . . . . . . 63 TYR H . 50955 1 270 . 1 . 1 57 57 TYR C C 13 177.84 . . . . . . . . 63 TYR C . 50955 1 271 . 1 . 1 57 57 TYR CA C 13 58.86 . . . . . . . . 63 TYR CA . 50955 1 272 . 1 . 1 57 57 TYR CB C 13 40.55 . . . . . . . . 63 TYR CB . 50955 1 273 . 1 . 1 57 57 TYR N N 15 112.86 . . . . . . . . 63 TYR N . 50955 1 274 . 1 . 1 58 58 ALA H H 1 8.922 . . . . . . . . 64 ALA H . 50955 1 275 . 1 . 1 58 58 ALA C C 13 182.99 . . . . . . . . 64 ALA C . 50955 1 276 . 1 . 1 58 58 ALA CA C 13 56.56 . . . . . . . . 64 ALA CA . 50955 1 277 . 1 . 1 58 58 ALA CB C 13 16.53 . . . . . . . . 64 ALA CB . 50955 1 278 . 1 . 1 58 58 ALA N N 15 129.79 . . . . . . . . 64 ALA N . 50955 1 279 . 1 . 1 59 59 GLU H H 1 8.846 . . . . . . . . 65 GLU H . 50955 1 280 . 1 . 1 59 59 GLU C C 13 177.37 . . . . . . . . 65 GLU C . 50955 1 281 . 1 . 1 59 59 GLU CA C 13 58.6 . . . . . . . . 65 GLU CA . 50955 1 282 . 1 . 1 59 59 GLU CB C 13 29.09 . . . . . . . . 65 GLU CB . 50955 1 283 . 1 . 1 59 59 GLU N N 15 116.34 . . . . . . . . 65 GLU N . 50955 1 284 . 1 . 1 60 60 CYS H H 1 7.54 . . . . . . . . 66 CYS H . 50955 1 285 . 1 . 1 60 60 CYS C C 13 173.85 . . . . . . . . 66 CYS C . 50955 1 286 . 1 . 1 60 60 CYS CA C 13 58.74 . . . . . . . . 66 CYS CA . 50955 1 287 . 1 . 1 60 60 CYS CB C 13 27.47 . . . . . . . . 66 CYS CB . 50955 1 288 . 1 . 1 60 60 CYS N N 15 115.64 . . . . . . . . 66 CYS N . 50955 1 289 . 1 . 1 61 61 GLY H H 1 7.735 . . . . . . . . 67 GLY H . 50955 1 290 . 1 . 1 61 61 GLY C C 13 173.01 . . . . . . . . 67 GLY C . 50955 1 291 . 1 . 1 61 61 GLY CA C 13 45.73 . . . . . . . . 67 GLY CA . 50955 1 292 . 1 . 1 61 61 GLY N N 15 104.63 . . . . . . . . 67 GLY N . 50955 1 293 . 1 . 1 62 62 LEU H H 1 7.645 . . . . . . . . 68 LEU H . 50955 1 294 . 1 . 1 62 62 LEU C C 13 176.98 . . . . . . . . 68 LEU C . 50955 1 295 . 1 . 1 62 62 LEU CA C 13 55.21 . . . . . . . . 68 LEU CA . 50955 1 296 . 1 . 1 62 62 LEU CB C 13 44.75 . . . . . . . . 68 LEU CB . 50955 1 297 . 1 . 1 62 62 LEU N N 15 120.69 . . . . . . . . 68 LEU N . 50955 1 298 . 1 . 1 63 63 ARG H H 1 9.632 . . . . . . . . 69 ARG H . 50955 1 299 . 1 . 1 63 63 ARG C C 13 174.78 . . . . . . . . 69 ARG C . 50955 1 300 . 1 . 1 63 63 ARG CA C 13 52.83 . . . . . . . . 69 ARG CA . 50955 1 301 . 1 . 1 63 63 ARG CB C 13 32.41 . . . . . . . . 69 ARG CB . 50955 1 302 . 1 . 1 63 63 ARG N N 15 127.74 . . . . . . . . 69 ARG N . 50955 1 303 . 1 . 1 64 64 ILE H H 1 8.392 . . . . . . . . 70 ILE H . 50955 1 304 . 1 . 1 64 64 ILE C C 13 172.74 . . . . . . . . 70 ILE C . 50955 1 305 . 1 . 1 64 64 ILE CA C 13 60.33 . . . . . . . . 70 ILE CA . 50955 1 306 . 1 . 1 64 64 ILE CB C 13 40.23 . . . . . . . . 70 ILE CB . 50955 1 307 . 1 . 1 64 64 ILE N N 15 119.63 . . . . . . . . 70 ILE N . 50955 1 308 . 1 . 1 65 65 LEU H H 1 9.016 . . . . . . . . 71 LEU H . 50955 1 309 . 1 . 1 65 65 LEU C C 13 174.07 . . . . . . . . 71 LEU C . 50955 1 310 . 1 . 1 65 65 LEU CA C 13 55.51 . . . . . . . . 71 LEU CA . 50955 1 311 . 1 . 1 65 65 LEU CB C 13 43.76 . . . . . . . . 71 LEU CB . 50955 1 312 . 1 . 1 65 65 LEU N N 15 128.29 . . . . . . . . 71 LEU N . 50955 1 313 . 1 . 1 66 66 ALA H H 1 8.92 . . . . . . . . 72 ALA H . 50955 1 314 . 1 . 1 66 66 ALA C C 13 175.21 . . . . . . . . 72 ALA C . 50955 1 315 . 1 . 1 66 66 ALA CA C 13 50.1 . . . . . . . . 72 ALA CA . 50955 1 316 . 1 . 1 66 66 ALA CB C 13 22.51 . . . . . . . . 72 ALA CB . 50955 1 317 . 1 . 1 66 66 ALA N N 15 124.81 . . . . . . . . 72 ALA N . 50955 1 318 . 1 . 1 67 67 PHE H H 1 9.456 . . . . . . . . 73 PHE H . 50955 1 319 . 1 . 1 67 67 PHE C C 13 175.27 . . . . . . . . 73 PHE C . 50955 1 320 . 1 . 1 67 67 PHE CA C 13 54.82 . . . . . . . . 73 PHE CA . 50955 1 321 . 1 . 1 67 67 PHE CB C 13 39.92 . . . . . . . . 73 PHE CB . 50955 1 322 . 1 . 1 67 67 PHE N N 15 122.02 . . . . . . . . 73 PHE N . 50955 1 323 . 1 . 1 68 68 PRO C C 13 176 . . . . . . . . 74 PRO C . 50955 1 324 . 1 . 1 68 68 PRO CA C 13 62.79 . . . . . . . . 74 PRO CA . 50955 1 325 . 1 . 1 68 68 PRO CB C 13 31.87 . . . . . . . . 74 PRO CB . 50955 1 326 . 1 . 1 69 69 CYS H H 1 8.12 . . . . . . . . 75 CYS H . 50955 1 327 . 1 . 1 69 69 CYS C C 13 172.99 . . . . . . . . 75 CYS C . 50955 1 328 . 1 . 1 69 69 CYS CA C 13 59.57 . . . . . . . . 75 CYS CA . 50955 1 329 . 1 . 1 69 69 CYS CB C 13 28.38 . . . . . . . . 75 CYS CB . 50955 1 330 . 1 . 1 69 69 CYS N N 15 120.33 . . . . . . . . 75 CYS N . 50955 1 331 . 1 . 1 70 70 ASN H H 1 9.807 . . . . . . . . 76 ASN H . 50955 1 332 . 1 . 1 70 70 ASN C C 13 176.1 . . . . . . . . 76 ASN C . 50955 1 333 . 1 . 1 70 70 ASN CA C 13 52.6 . . . . . . . . 76 ASN CA . 50955 1 334 . 1 . 1 70 70 ASN CB C 13 40.58 . . . . . . . . 76 ASN CB . 50955 1 335 . 1 . 1 70 70 ASN N N 15 128.31 . . . . . . . . 76 ASN N . 50955 1 336 . 1 . 1 71 71 GLN H H 1 7.278 . . . . . . . . 77 GLN H . 50955 1 337 . 1 . 1 71 71 GLN C C 13 173.9 . . . . . . . . 77 GLN C . 50955 1 338 . 1 . 1 71 71 GLN CA C 13 58.18 . . . . . . . . 77 GLN CA . 50955 1 339 . 1 . 1 71 71 GLN CB C 13 30.17 . . . . . . . . 77 GLN CB . 50955 1 340 . 1 . 1 71 71 GLN N N 15 114.73 . . . . . . . . 77 GLN N . 50955 1 341 . 1 . 1 72 72 PHE H H 1 8.084 . . . . . . . . 78 PHE H . 50955 1 342 . 1 . 1 72 72 PHE C C 13 173.05 . . . . . . . . 78 PHE C . 50955 1 343 . 1 . 1 72 72 PHE CA C 13 56.03 . . . . . . . . 78 PHE CA . 50955 1 344 . 1 . 1 72 72 PHE CB C 13 34.03 . . . . . . . . 78 PHE CB . 50955 1 345 . 1 . 1 72 72 PHE N N 15 120.94 . . . . . . . . 78 PHE N . 50955 1 346 . 1 . 1 73 73 GLY H H 1 8.464 . . . . . . . . 79 GLY H . 50955 1 347 . 1 . 1 73 73 GLY C C 13 174.58 . . . . . . . . 79 GLY C . 50955 1 348 . 1 . 1 73 73 GLY CA C 13 45.84 . . . . . . . . 79 GLY CA . 50955 1 349 . 1 . 1 73 73 GLY N N 15 109.6 . . . . . . . . 79 GLY N . 50955 1 350 . 1 . 1 74 74 LYS H H 1 7.145 . . . . . . . . 80 LYS H . 50955 1 351 . 1 . 1 74 74 LYS C C 13 176.97 . . . . . . . . 80 LYS C . 50955 1 352 . 1 . 1 74 74 LYS CA C 13 57.23 . . . . . . . . 80 LYS CA . 50955 1 353 . 1 . 1 74 74 LYS CB C 13 29.7 . . . . . . . . 80 LYS CB . 50955 1 354 . 1 . 1 74 74 LYS N N 15 112.63 . . . . . . . . 80 LYS N . 50955 1 355 . 1 . 1 75 75 GLN H H 1 6.246 . . . . . . . . 81 GLN H . 50955 1 356 . 1 . 1 75 75 GLN C C 13 174.19 . . . . . . . . 81 GLN C . 50955 1 357 . 1 . 1 75 75 GLN CA C 13 55.93 . . . . . . . . 81 GLN CA . 50955 1 358 . 1 . 1 75 75 GLN CB C 13 27.01 . . . . . . . . 81 GLN CB . 50955 1 359 . 1 . 1 75 75 GLN N N 15 113.39 . . . . . . . . 81 GLN N . 50955 1 360 . 1 . 1 76 76 GLU H H 1 9.167 . . . . . . . . 82 GLU H . 50955 1 361 . 1 . 1 76 76 GLU C C 13 172.49 . . . . . . . . 82 GLU C . 50955 1 362 . 1 . 1 76 76 GLU CA C 13 52.4 . . . . . . . . 82 GLU CA . 50955 1 363 . 1 . 1 76 76 GLU CB C 13 32.48 . . . . . . . . 82 GLU CB . 50955 1 364 . 1 . 1 76 76 GLU N N 15 121.78 . . . . . . . . 82 GLU N . 50955 1 365 . 1 . 1 77 77 PRO C C 13 178.22 . . . . . . . . 83 PRO C . 50955 1 366 . 1 . 1 77 77 PRO CA C 13 64.35 . . . . . . . . 83 PRO CA . 50955 1 367 . 1 . 1 77 77 PRO CB C 13 32.61 . . . . . . . . 83 PRO CB . 50955 1 368 . 1 . 1 78 78 GLY H H 1 9.21 . . . . . . . . 84 GLY H . 50955 1 369 . 1 . 1 78 78 GLY C C 13 173.28 . . . . . . . . 84 GLY C . 50955 1 370 . 1 . 1 78 78 GLY CA C 13 44.98 . . . . . . . . 84 GLY CA . 50955 1 371 . 1 . 1 78 78 GLY N N 15 110.86 . . . . . . . . 84 GLY N . 50955 1 372 . 1 . 1 79 79 SER H H 1 8.701 . . . . . . . . 85 SER H . 50955 1 373 . 1 . 1 79 79 SER C C 13 174.96 . . . . . . . . 85 SER C . 50955 1 374 . 1 . 1 79 79 SER CA C 13 57.14 . . . . . . . . 85 SER CA . 50955 1 375 . 1 . 1 79 79 SER CB C 13 65.48 . . . . . . . . 85 SER CB . 50955 1 376 . 1 . 1 79 79 SER N N 15 115.35 . . . . . . . . 85 SER N . 50955 1 377 . 1 . 1 80 80 ASN H H 1 8.865 . . . . . . . . 86 ASN H . 50955 1 378 . 1 . 1 80 80 ASN C C 13 177.04 . . . . . . . . 86 ASN C . 50955 1 379 . 1 . 1 80 80 ASN CA C 13 57.15 . . . . . . . . 86 ASN CA . 50955 1 380 . 1 . 1 80 80 ASN CB C 13 37.7 . . . . . . . . 86 ASN CB . 50955 1 381 . 1 . 1 80 80 ASN N N 15 119 . . . . . . . . 86 ASN N . 50955 1 382 . 1 . 1 81 81 GLU H H 1 8.639 . . . . . . . . 87 GLU H . 50955 1 383 . 1 . 1 81 81 GLU C C 13 179.48 . . . . . . . . 87 GLU C . 50955 1 384 . 1 . 1 81 81 GLU CA C 13 60.57 . . . . . . . . 87 GLU CA . 50955 1 385 . 1 . 1 81 81 GLU CB C 13 28.99 . . . . . . . . 87 GLU CB . 50955 1 386 . 1 . 1 81 81 GLU N N 15 118.15 . . . . . . . . 87 GLU N . 50955 1 387 . 1 . 1 82 82 GLU H H 1 7.719 . . . . . . . . 88 GLU H . 50955 1 388 . 1 . 1 82 82 GLU C C 13 179.89 . . . . . . . . 88 GLU C . 50955 1 389 . 1 . 1 82 82 GLU CA C 13 59.32 . . . . . . . . 88 GLU CA . 50955 1 390 . 1 . 1 82 82 GLU CB C 13 29.49 . . . . . . . . 88 GLU CB . 50955 1 391 . 1 . 1 82 82 GLU N N 15 121.47 . . . . . . . . 88 GLU N . 50955 1 392 . 1 . 1 83 83 ILE H H 1 8.556 . . . . . . . . 89 ILE H . 50955 1 393 . 1 . 1 83 83 ILE C C 13 177.58 . . . . . . . . 89 ILE C . 50955 1 394 . 1 . 1 83 83 ILE CA C 13 65.24 . . . . . . . . 89 ILE CA . 50955 1 395 . 1 . 1 83 83 ILE CB C 13 38.56 . . . . . . . . 89 ILE CB . 50955 1 396 . 1 . 1 83 83 ILE N N 15 124.67 . . . . . . . . 89 ILE N . 50955 1 397 . 1 . 1 84 84 LYS H H 1 8.434 . . . . . . . . 90 LYS H . 50955 1 398 . 1 . 1 84 84 LYS C C 13 179.55 . . . . . . . . 90 LYS C . 50955 1 399 . 1 . 1 84 84 LYS CA C 13 60.76 . . . . . . . . 90 LYS CA . 50955 1 400 . 1 . 1 84 84 LYS CB C 13 32.57 . . . . . . . . 90 LYS CB . 50955 1 401 . 1 . 1 84 84 LYS N N 15 121.18 . . . . . . . . 90 LYS N . 50955 1 402 . 1 . 1 85 85 GLU H H 1 7.554 . . . . . . . . 91 GLU H . 50955 1 403 . 1 . 1 85 85 GLU C C 13 178.69 . . . . . . . . 91 GLU C . 50955 1 404 . 1 . 1 85 85 GLU CA C 13 58.85 . . . . . . . . 91 GLU CA . 50955 1 405 . 1 . 1 85 85 GLU CB C 13 29.36 . . . . . . . . 91 GLU CB . 50955 1 406 . 1 . 1 85 85 GLU N N 15 118.67 . . . . . . . . 91 GLU N . 50955 1 407 . 1 . 1 86 86 PHE H H 1 8.396 . . . . . . . . 92 PHE H . 50955 1 408 . 1 . 1 86 86 PHE C C 13 179.05 . . . . . . . . 92 PHE C . 50955 1 409 . 1 . 1 86 86 PHE CA C 13 61.82 . . . . . . . . 92 PHE CA . 50955 1 410 . 1 . 1 86 86 PHE CB C 13 39.44 . . . . . . . . 92 PHE CB . 50955 1 411 . 1 . 1 86 86 PHE N N 15 123.99 . . . . . . . . 92 PHE N . 50955 1 412 . 1 . 1 87 87 ALA H H 1 8.879 . . . . . . . . 93 ALA H . 50955 1 413 . 1 . 1 87 87 ALA C C 13 180.2 . . . . . . . . 93 ALA C . 50955 1 414 . 1 . 1 87 87 ALA CA C 13 54.92 . . . . . . . . 93 ALA CA . 50955 1 415 . 1 . 1 87 87 ALA CB C 13 16.61 . . . . . . . . 93 ALA CB . 50955 1 416 . 1 . 1 87 87 ALA N N 15 122.68 . . . . . . . . 93 ALA N . 50955 1 417 . 1 . 1 88 88 ALA H H 1 7.96 . . . . . . . . 94 ALA H . 50955 1 418 . 1 . 1 88 88 ALA C C 13 182.33 . . . . . . . . 94 ALA C . 50955 1 419 . 1 . 1 88 88 ALA CA C 13 54.91 . . . . . . . . 94 ALA CA . 50955 1 420 . 1 . 1 88 88 ALA CB C 13 17.02 . . . . . . . . 94 ALA CB . 50955 1 421 . 1 . 1 88 88 ALA N N 15 121.4 . . . . . . . . 94 ALA N . 50955 1 422 . 1 . 1 89 89 GLY H H 1 7.678 . . . . . . . . 95 GLY H . 50955 1 423 . 1 . 1 89 89 GLY C C 13 174.82 . . . . . . . . 95 GLY C . 50955 1 424 . 1 . 1 89 89 GLY CA C 13 46.3 . . . . . . . . 95 GLY CA . 50955 1 425 . 1 . 1 89 89 GLY N N 15 107.58 . . . . . . . . 95 GLY N . 50955 1 426 . 1 . 1 90 90 TYR H H 1 7.182 . . . . . . . . 96 TYR H . 50955 1 427 . 1 . 1 90 90 TYR C C 13 174.89 . . . . . . . . 96 TYR C . 50955 1 428 . 1 . 1 90 90 TYR CA C 13 59.02 . . . . . . . . 96 TYR CA . 50955 1 429 . 1 . 1 90 90 TYR CB C 13 39.42 . . . . . . . . 96 TYR CB . 50955 1 430 . 1 . 1 90 90 TYR N N 15 117.73 . . . . . . . . 96 TYR N . 50955 1 431 . 1 . 1 91 91 ASN H H 1 8.069 . . . . . . . . 97 ASN H . 50955 1 432 . 1 . 1 91 91 ASN C C 13 174.26 . . . . . . . . 97 ASN C . 50955 1 433 . 1 . 1 91 91 ASN CA C 13 53.95 . . . . . . . . 97 ASN CA . 50955 1 434 . 1 . 1 91 91 ASN CB C 13 36.91 . . . . . . . . 97 ASN CB . 50955 1 435 . 1 . 1 91 91 ASN N N 15 114.34 . . . . . . . . 97 ASN N . 50955 1 436 . 1 . 1 92 92 VAL H H 1 6.825 . . . . . . . . 98 VAL H . 50955 1 437 . 1 . 1 92 92 VAL C C 13 177.8 . . . . . . . . 98 VAL C . 50955 1 438 . 1 . 1 92 92 VAL CA C 13 64.50 . . . . . . . . 98 VAL CA . 50955 1 439 . 1 . 1 92 92 VAL CB C 13 32.27 . . . . . . . . 98 VAL CB . 50955 1 440 . 1 . 1 92 92 VAL N N 15 115.53 . . . . . . . . 98 VAL N . 50955 1 441 . 1 . 1 93 93 LYS H H 1 9.639 . . . . . . . . 99 LYS H . 50955 1 442 . 1 . 1 93 93 LYS C C 13 176.79 . . . . . . . . 99 LYS C . 50955 1 443 . 1 . 1 93 93 LYS CA C 13 54.53 . . . . . . . . 99 LYS CA . 50955 1 444 . 1 . 1 93 93 LYS CB C 13 32.99 . . . . . . . . 99 LYS CB . 50955 1 445 . 1 . 1 93 93 LYS N N 15 126.83 . . . . . . . . 99 LYS N . 50955 1 446 . 1 . 1 94 94 PHE H H 1 6.306 . . . . . . . . 100 PHE H . 50955 1 447 . 1 . 1 94 94 PHE C C 13 171.99 . . . . . . . . 100 PHE C . 50955 1 448 . 1 . 1 94 94 PHE CA C 13 55.33 . . . . . . . . 100 PHE CA . 50955 1 449 . 1 . 1 94 94 PHE CB C 13 37.1 . . . . . . . . 100 PHE CB . 50955 1 450 . 1 . 1 94 94 PHE N N 15 116.95 . . . . . . . . 100 PHE N . 50955 1 451 . 1 . 1 95 95 ASP H H 1 8.131 . . . . . . . . 101 ASP H . 50955 1 452 . 1 . 1 95 95 ASP C C 13 173.13 . . . . . . . . 101 ASP C . 50955 1 453 . 1 . 1 95 95 ASP CA C 13 56.39 . . . . . . . . 101 ASP CA . 50955 1 454 . 1 . 1 95 95 ASP CB C 13 42.22 . . . . . . . . 101 ASP CB . 50955 1 455 . 1 . 1 95 95 ASP N N 15 118.44 . . . . . . . . 101 ASP N . 50955 1 456 . 1 . 1 96 96 MET H H 1 8.164 . . . . . . . . 102 MET H . 50955 1 457 . 1 . 1 96 96 MET C C 13 176.76 . . . . . . . . 102 MET C . 50955 1 458 . 1 . 1 96 96 MET CA C 13 52.5 . . . . . . . . 102 MET CA . 50955 1 459 . 1 . 1 96 96 MET CB C 13 31.74 . . . . . . . . 102 MET CB . 50955 1 460 . 1 . 1 96 96 MET N N 15 121.33 . . . . . . . . 102 MET N . 50955 1 461 . 1 . 1 97 97 PHE H H 1 8.486 . . . . . . . . 103 PHE H . 50955 1 462 . 1 . 1 97 97 PHE C C 13 172.6 . . . . . . . . 103 PHE C . 50955 1 463 . 1 . 1 97 97 PHE CA C 13 57.28 . . . . . . . . 103 PHE CA . 50955 1 464 . 1 . 1 97 97 PHE CB C 13 41.1 . . . . . . . . 103 PHE CB . 50955 1 465 . 1 . 1 97 97 PHE N N 15 123.03 . . . . . . . . 103 PHE N . 50955 1 466 . 1 . 1 98 98 SER H H 1 7.814 . . . . . . . . 104 SER H . 50955 1 467 . 1 . 1 98 98 SER C C 13 174.39 . . . . . . . . 104 SER C . 50955 1 468 . 1 . 1 98 98 SER CA C 13 60.42 . . . . . . . . 104 SER CA . 50955 1 469 . 1 . 1 98 98 SER CB C 13 64.18 . . . . . . . . 104 SER CB . 50955 1 470 . 1 . 1 98 98 SER N N 15 109.9 . . . . . . . . 104 SER N . 50955 1 471 . 1 . 1 99 99 LYS H H 1 8.298 . . . . . . . . 105 LYS H . 50955 1 472 . 1 . 1 99 99 LYS C C 13 176.77 . . . . . . . . 105 LYS C . 50955 1 473 . 1 . 1 99 99 LYS CA C 13 57.8 . . . . . . . . 105 LYS CA . 50955 1 474 . 1 . 1 99 99 LYS CB C 13 32.55 . . . . . . . . 105 LYS CB . 50955 1 475 . 1 . 1 99 99 LYS N N 15 122.6 . . . . . . . . 105 LYS N . 50955 1 476 . 1 . 1 100 100 ILE H H 1 8.419 . . . . . . . . 106 ILE H . 50955 1 477 . 1 . 1 100 100 ILE C C 13 176.8 . . . . . . . . 106 ILE C . 50955 1 478 . 1 . 1 100 100 ILE CA C 13 60.15 . . . . . . . . 106 ILE CA . 50955 1 479 . 1 . 1 100 100 ILE CB C 13 44.22 . . . . . . . . 106 ILE CB . 50955 1 480 . 1 . 1 100 100 ILE N N 15 118.58 . . . . . . . . 106 ILE N . 50955 1 481 . 1 . 1 101 101 CYS H H 1 8.739 . . . . . . . . 107 CYS H . 50955 1 482 . 1 . 1 101 101 CYS C C 13 173.42 . . . . . . . . 107 CYS C . 50955 1 483 . 1 . 1 101 101 CYS CA C 13 60.44 . . . . . . . . 107 CYS CA . 50955 1 484 . 1 . 1 101 101 CYS CB C 13 28.23 . . . . . . . . 107 CYS CB . 50955 1 485 . 1 . 1 101 101 CYS N N 15 117.28 . . . . . . . . 107 CYS N . 50955 1 486 . 1 . 1 102 102 VAL H H 1 8.114 . . . . . . . . 108 VAL H . 50955 1 487 . 1 . 1 102 102 VAL C C 13 173.52 . . . . . . . . 108 VAL C . 50955 1 488 . 1 . 1 102 102 VAL CA C 13 61.1 . . . . . . . . 108 VAL CA . 50955 1 489 . 1 . 1 102 102 VAL CB C 13 32.52 . . . . . . . . 108 VAL CB . 50955 1 490 . 1 . 1 102 102 VAL N N 15 113.42 . . . . . . . . 108 VAL N . 50955 1 491 . 1 . 1 103 103 ASN H H 1 8.192 . . . . . . . . 109 ASN H . 50955 1 492 . 1 . 1 103 103 ASN C C 13 176.01 . . . . . . . . 109 ASN C . 50955 1 493 . 1 . 1 103 103 ASN CA C 13 50.9 . . . . . . . . 109 ASN CA . 50955 1 494 . 1 . 1 103 103 ASN CB C 13 42.3 . . . . . . . . 109 ASN CB . 50955 1 495 . 1 . 1 103 103 ASN N N 15 118.95 . . . . . . . . 109 ASN N . 50955 1 496 . 1 . 1 104 104 GLY C C 13 175.9 . . . . . . . . 110 GLY C . 50955 1 497 . 1 . 1 104 104 GLY CA C 13 44.44 . . . . . . . . 110 GLY CA . 50955 1 498 . 1 . 1 105 105 ASP H H 1 8.85 . . . . . . . . 111 ASP H . 50955 1 499 . 1 . 1 105 105 ASP C C 13 177.45 . . . . . . . . 111 ASP C . 50955 1 500 . 1 . 1 105 105 ASP CA C 13 57.48 . . . . . . . . 111 ASP CA . 50955 1 501 . 1 . 1 105 105 ASP CB C 13 40.57 . . . . . . . . 111 ASP CB . 50955 1 502 . 1 . 1 105 105 ASP N N 15 119.7 . . . . . . . . 111 ASP N . 50955 1 503 . 1 . 1 106 106 ASP H H 1 8.713 . . . . . . . . 112 ASP H . 50955 1 504 . 1 . 1 106 106 ASP C C 13 175.57 . . . . . . . . 112 ASP C . 50955 1 505 . 1 . 1 106 106 ASP CA C 13 53.21 . . . . . . . . 112 ASP CA . 50955 1 506 . 1 . 1 106 106 ASP CB C 13 40.37 . . . . . . . . 112 ASP CB . 50955 1 507 . 1 . 1 106 106 ASP N N 15 117.36 . . . . . . . . 112 ASP N . 50955 1 508 . 1 . 1 107 107 ALA H H 1 7.037 . . . . . . . . 113 ALA H . 50955 1 509 . 1 . 1 107 107 ALA C C 13 176.23 . . . . . . . . 113 ALA C . 50955 1 510 . 1 . 1 107 107 ALA CA C 13 51.6 . . . . . . . . 113 ALA CA . 50955 1 511 . 1 . 1 107 107 ALA CB C 13 18.9 . . . . . . . . 113 ALA CB . 50955 1 512 . 1 . 1 107 107 ALA N N 15 120.97 . . . . . . . . 113 ALA N . 50955 1 513 . 1 . 1 108 108 HIS H H 1 7.905 . . . . . . . . 114 HIS H . 50955 1 514 . 1 . 1 108 108 HIS C C 13 176.04 . . . . . . . . 114 HIS C . 50955 1 515 . 1 . 1 108 108 HIS CA C 13 56.67 . . . . . . . . 114 HIS CA . 50955 1 516 . 1 . 1 108 108 HIS CB C 13 33.53 . . . . . . . . 114 HIS CB . 50955 1 517 . 1 . 1 108 108 HIS N N 15 122.33 . . . . . . . . 114 HIS N . 50955 1 518 . 1 . 1 109 109 PRO C C 13 178.38 . . . . . . . . 115 PRO C . 50955 1 519 . 1 . 1 109 109 PRO CA C 13 66.29 . . . . . . . . 115 PRO CA . 50955 1 520 . 1 . 1 109 109 PRO CB C 13 32.74 . . . . . . . . 115 PRO CB . 50955 1 521 . 1 . 1 110 110 LEU H H 1 10.709 . . . . . . . . 116 LEU H . 50955 1 522 . 1 . 1 110 110 LEU C C 13 178.65 . . . . . . . . 116 LEU C . 50955 1 523 . 1 . 1 110 110 LEU CA C 13 57.86 . . . . . . . . 116 LEU CA . 50955 1 524 . 1 . 1 110 110 LEU CB C 13 41.08 . . . . . . . . 116 LEU CB . 50955 1 525 . 1 . 1 110 110 LEU N N 15 121.31 . . . . . . . . 116 LEU N . 50955 1 526 . 1 . 1 111 111 TRP H H 1 7.457 . . . . . . . . 117 TRP H . 50955 1 527 . 1 . 1 111 111 TRP C C 13 177.53 . . . . . . . . 117 TRP C . 50955 1 528 . 1 . 1 111 111 TRP CA C 13 61.34 . . . . . . . . 117 TRP CA . 50955 1 529 . 1 . 1 111 111 TRP CB C 13 26.89 . . . . . . . . 117 TRP CB . 50955 1 530 . 1 . 1 111 111 TRP N N 15 119.78 . . . . . . . . 117 TRP N . 50955 1 531 . 1 . 1 112 112 LYS H H 1 7.833 . . . . . . . . 118 LYS H . 50955 1 532 . 1 . 1 112 112 LYS C C 13 178.24 . . . . . . . . 118 LYS C . 50955 1 533 . 1 . 1 112 112 LYS CA C 13 60.65 . . . . . . . . 118 LYS CA . 50955 1 534 . 1 . 1 112 112 LYS CB C 13 33.04 . . . . . . . . 118 LYS CB . 50955 1 535 . 1 . 1 112 112 LYS N N 15 117.27 . . . . . . . . 118 LYS N . 50955 1 536 . 1 . 1 113 113 TRP H H 1 7.436 . . . . . . . . 119 TRP H . 50955 1 537 . 1 . 1 113 113 TRP C C 13 178.95 . . . . . . . . 119 TRP C . 50955 1 538 . 1 . 1 113 113 TRP CA C 13 61.5 . . . . . . . . 119 TRP CA . 50955 1 539 . 1 . 1 113 113 TRP CB C 13 29.4 . . . . . . . . 119 TRP CB . 50955 1 540 . 1 . 1 113 113 TRP N N 15 116.94 . . . . . . . . 119 TRP N . 50955 1 541 . 1 . 1 114 114 MET H H 1 8.566 . . . . . . . . 120 MET H . 50955 1 542 . 1 . 1 114 114 MET C C 13 177.36 . . . . . . . . 120 MET C . 50955 1 543 . 1 . 1 114 114 MET CA C 13 60.77 . . . . . . . . 120 MET CA . 50955 1 544 . 1 . 1 114 114 MET CB C 13 32.57 . . . . . . . . 120 MET CB . 50955 1 545 . 1 . 1 114 114 MET N N 15 119.16 . . . . . . . . 120 MET N . 50955 1 546 . 1 . 1 115 115 LYS H H 1 6.819 . . . . . . . . 121 LYS H . 50955 1 547 . 1 . 1 115 115 LYS C C 13 175.48 . . . . . . . . 121 LYS C . 50955 1 548 . 1 . 1 115 115 LYS CA C 13 58.85 . . . . . . . . 121 LYS CA . 50955 1 549 . 1 . 1 115 115 LYS CB C 13 33.35 . . . . . . . . 121 LYS CB . 50955 1 550 . 1 . 1 115 115 LYS N N 15 109.63 . . . . . . . . 121 LYS N . 50955 1 551 . 1 . 1 116 116 ILE H H 1 6.583 . . . . . . . . 122 ILE H . 50955 1 552 . 1 . 1 116 116 ILE C C 13 177.3 . . . . . . . . 122 ILE C . 50955 1 553 . 1 . 1 116 116 ILE CA C 13 60 . . . . . . . . 122 ILE CA . 50955 1 554 . 1 . 1 116 116 ILE CB C 13 38.43 . . . . . . . . 122 ILE CB . 50955 1 555 . 1 . 1 116 116 ILE N N 15 105.6 . . . . . . . . 122 ILE N . 50955 1 556 . 1 . 1 117 117 GLN H H 1 6.936 . . . . . . . . 123 GLN H . 50955 1 557 . 1 . 1 117 117 GLN C C 13 176.18 . . . . . . . . 123 GLN C . 50955 1 558 . 1 . 1 117 117 GLN CA C 13 53.2 . . . . . . . . 123 GLN CA . 50955 1 559 . 1 . 1 117 117 GLN CB C 13 25.77 . . . . . . . . 123 GLN CB . 50955 1 560 . 1 . 1 117 117 GLN N N 15 121.99 . . . . . . . . 123 GLN N . 50955 1 561 . 1 . 1 118 118 PRO C C 13 178.83 . . . . . . . . 124 PRO C . 50955 1 562 . 1 . 1 118 118 PRO CA C 13 66.57 . . . . . . . . 124 PRO CA . 50955 1 563 . 1 . 1 118 118 PRO CB C 13 32.08 . . . . . . . . 124 PRO CB . 50955 1 564 . 1 . 1 119 119 LYS H H 1 8.269 . . . . . . . . 125 LYS H . 50955 1 565 . 1 . 1 119 119 LYS C C 13 175.65 . . . . . . . . 125 LYS C . 50955 1 566 . 1 . 1 119 119 LYS CA C 13 55.03 . . . . . . . . 125 LYS CA . 50955 1 567 . 1 . 1 119 119 LYS CB C 13 30.6 . . . . . . . . 125 LYS CB . 50955 1 568 . 1 . 1 119 119 LYS N N 15 112.25 . . . . . . . . 125 LYS N . 50955 1 569 . 1 . 1 120 120 GLY H H 1 7.905 . . . . . . . . 126 GLY H . 50955 1 570 . 1 . 1 120 120 GLY C C 13 172.22 . . . . . . . . 126 GLY C . 50955 1 571 . 1 . 1 120 120 GLY CA C 13 44.5 . . . . . . . . 126 GLY CA . 50955 1 572 . 1 . 1 120 120 GLY N N 15 106.12 . . . . . . . . 126 GLY N . 50955 1 573 . 1 . 1 121 121 LYS H H 1 6.677 . . . . . . . . 127 LYS H . 50955 1 574 . 1 . 1 121 121 LYS C C 13 177.42 . . . . . . . . 127 LYS C . 50955 1 575 . 1 . 1 121 121 LYS CA C 13 56.73 . . . . . . . . 127 LYS CA . 50955 1 576 . 1 . 1 121 121 LYS CB C 13 33.57 . . . . . . . . 127 LYS CB . 50955 1 577 . 1 . 1 121 121 LYS N N 15 119.5 . . . . . . . . 127 LYS N . 50955 1 578 . 1 . 1 122 122 GLY H H 1 8.103 . . . . . . . . 128 GLY H . 50955 1 579 . 1 . 1 122 122 GLY C C 13 174.18 . . . . . . . . 128 GLY C . 50955 1 580 . 1 . 1 122 122 GLY CA C 13 43.97 . . . . . . . . 128 GLY CA . 50955 1 581 . 1 . 1 122 122 GLY N N 15 109.2 . . . . . . . . 128 GLY N . 50955 1 582 . 1 . 1 123 123 ILE H H 1 8.229 . . . . . . . . 129 ILE H . 50955 1 583 . 1 . 1 123 123 ILE C C 13 176.84 . . . . . . . . 129 ILE C . 50955 1 584 . 1 . 1 123 123 ILE CA C 13 62.59 . . . . . . . . 129 ILE CA . 50955 1 585 . 1 . 1 123 123 ILE CB C 13 38.03 . . . . . . . . 129 ILE CB . 50955 1 586 . 1 . 1 123 123 ILE N N 15 120.72 . . . . . . . . 129 ILE N . 50955 1 587 . 1 . 1 124 124 LEU H H 1 8.449 . . . . . . . . 130 LEU H . 50955 1 588 . 1 . 1 124 124 LEU C C 13 176.98 . . . . . . . . 130 LEU C . 50955 1 589 . 1 . 1 124 124 LEU CA C 13 54.63 . . . . . . . . 130 LEU CA . 50955 1 590 . 1 . 1 124 124 LEU CB C 13 40.83 . . . . . . . . 130 LEU CB . 50955 1 591 . 1 . 1 124 124 LEU N N 15 122.46 . . . . . . . . 130 LEU N . 50955 1 592 . 1 . 1 125 125 GLY H H 1 7.642 . . . . . . . . 131 GLY H . 50955 1 593 . 1 . 1 125 125 GLY C C 13 173.94 . . . . . . . . 131 GLY C . 50955 1 594 . 1 . 1 125 125 GLY CA C 13 44.66 . . . . . . . . 131 GLY CA . 50955 1 595 . 1 . 1 125 125 GLY N N 15 109.01 . . . . . . . . 131 GLY N . 50955 1 596 . 1 . 1 126 126 ASN H H 1 8.498 . . . . . . . . 132 ASN H . 50955 1 597 . 1 . 1 126 126 ASN C C 13 177.25 . . . . . . . . 132 ASN C . 50955 1 598 . 1 . 1 126 126 ASN CA C 13 54.2 . . . . . . . . 132 ASN CA . 50955 1 599 . 1 . 1 126 126 ASN CB C 13 39.57 . . . . . . . . 132 ASN CB . 50955 1 600 . 1 . 1 126 126 ASN N N 15 116.7 . . . . . . . . 132 ASN N . 50955 1 601 . 1 . 1 127 127 ALA H H 1 8.139 . . . . . . . . 133 ALA H . 50955 1 602 . 1 . 1 127 127 ALA C C 13 176.85 . . . . . . . . 133 ALA C . 50955 1 603 . 1 . 1 127 127 ALA CA C 13 53.53 . . . . . . . . 133 ALA CA . 50955 1 604 . 1 . 1 127 127 ALA CB C 13 18.61 . . . . . . . . 133 ALA CB . 50955 1 605 . 1 . 1 127 127 ALA N N 15 122.34 . . . . . . . . 133 ALA N . 50955 1 606 . 1 . 1 128 128 ILE H H 1 9.214 . . . . . . . . 134 ILE H . 50955 1 607 . 1 . 1 128 128 ILE C C 13 178.49 . . . . . . . . 134 ILE C . 50955 1 608 . 1 . 1 128 128 ILE CA C 13 59.86 . . . . . . . . 134 ILE CA . 50955 1 609 . 1 . 1 128 128 ILE CB C 13 33.93 . . . . . . . . 134 ILE CB . 50955 1 610 . 1 . 1 128 128 ILE N N 15 122.55 . . . . . . . . 134 ILE N . 50955 1 611 . 1 . 1 129 129 LYS H H 1 9.578 . . . . . . . . 135 LYS H . 50955 1 612 . 1 . 1 129 129 LYS C C 13 176.57 . . . . . . . . 135 LYS C . 50955 1 613 . 1 . 1 129 129 LYS CA C 13 57.37 . . . . . . . . 135 LYS CA . 50955 1 614 . 1 . 1 129 129 LYS CB C 13 33.79 . . . . . . . . 135 LYS CB . 50955 1 615 . 1 . 1 129 129 LYS N N 15 127.04 . . . . . . . . 135 LYS N . 50955 1 616 . 1 . 1 130 130 TRP H H 1 6.581 . . . . . . . . 136 TRP H . 50955 1 617 . 1 . 1 130 130 TRP C C 13 175.12 . . . . . . . . 136 TRP C . 50955 1 618 . 1 . 1 130 130 TRP CA C 13 54.73 . . . . . . . . 136 TRP CA . 50955 1 619 . 1 . 1 130 130 TRP CB C 13 31.53 . . . . . . . . 136 TRP CB . 50955 1 620 . 1 . 1 130 130 TRP N N 15 111.45 . . . . . . . . 136 TRP N . 50955 1 621 . 1 . 1 131 131 ASN H H 1 5.851 . . . . . . . . 137 ASN H . 50955 1 622 . 1 . 1 131 131 ASN C C 13 172.81 . . . . . . . . 137 ASN C . 50955 1 623 . 1 . 1 131 131 ASN CA C 13 53.65 . . . . . . . . 137 ASN CA . 50955 1 624 . 1 . 1 131 131 ASN CB C 13 40.26 . . . . . . . . 137 ASN CB . 50955 1 625 . 1 . 1 131 131 ASN N N 15 115.92 . . . . . . . . 137 ASN N . 50955 1 626 . 1 . 1 132 132 PHE H H 1 7.902 . . . . . . . . 138 PHE H . 50955 1 627 . 1 . 1 132 132 PHE C C 13 179.14 . . . . . . . . 138 PHE C . 50955 1 628 . 1 . 1 132 132 PHE CA C 13 59.25 . . . . . . . . 138 PHE CA . 50955 1 629 . 1 . 1 132 132 PHE CB C 13 34.94 . . . . . . . . 138 PHE CB . 50955 1 630 . 1 . 1 132 132 PHE N N 15 113.63 . . . . . . . . 138 PHE N . 50955 1 631 . 1 . 1 133 133 THR H H 1 8.653 . . . . . . . . 139 THR H . 50955 1 632 . 1 . 1 133 133 THR C C 13 174.67 . . . . . . . . 139 THR C . 50955 1 633 . 1 . 1 133 133 THR CA C 13 65.97 . . . . . . . . 139 THR CA . 50955 1 634 . 1 . 1 133 133 THR CB C 13 69.05 . . . . . . . . 139 THR CB . 50955 1 635 . 1 . 1 133 133 THR N N 15 116.27 . . . . . . . . 139 THR N . 50955 1 636 . 1 . 1 134 134 LYS H H 1 9.218 . . . . . . . . 140 LYS H . 50955 1 637 . 1 . 1 134 134 LYS C C 13 173.7 . . . . . . . . 140 LYS C . 50955 1 638 . 1 . 1 134 134 LYS CA C 13 56.08 . . . . . . . . 140 LYS CA . 50955 1 639 . 1 . 1 134 134 LYS CB C 13 34.33 . . . . . . . . 140 LYS CB . 50955 1 640 . 1 . 1 134 134 LYS N N 15 127 . . . . . . . . 140 LYS N . 50955 1 641 . 1 . 1 135 135 PHE H H 1 9.596 . . . . . . . . 141 PHE H . 50955 1 642 . 1 . 1 135 135 PHE C C 13 173.98 . . . . . . . . 141 PHE C . 50955 1 643 . 1 . 1 135 135 PHE CA C 13 56.87 . . . . . . . . 141 PHE CA . 50955 1 644 . 1 . 1 135 135 PHE CB C 13 42.7 . . . . . . . . 141 PHE CB . 50955 1 645 . 1 . 1 135 135 PHE N N 15 120.8 . . . . . . . . 141 PHE N . 50955 1 646 . 1 . 1 136 136 LEU H H 1 8.982 . . . . . . . . 142 LEU H . 50955 1 647 . 1 . 1 136 136 LEU C C 13 173.69 . . . . . . . . 142 LEU C . 50955 1 648 . 1 . 1 136 136 LEU CA C 13 53.63 . . . . . . . . 142 LEU CA . 50955 1 649 . 1 . 1 136 136 LEU CB C 13 45.59 . . . . . . . . 142 LEU CB . 50955 1 650 . 1 . 1 136 136 LEU N N 15 124.83 . . . . . . . . 142 LEU N . 50955 1 651 . 1 . 1 137 137 ILE H H 1 9.56 . . . . . . . . 143 ILE H . 50955 1 652 . 1 . 1 137 137 ILE C C 13 175.38 . . . . . . . . 143 ILE C . 50955 1 653 . 1 . 1 137 137 ILE CA C 13 57.93 . . . . . . . . 143 ILE CA . 50955 1 654 . 1 . 1 137 137 ILE CB C 13 39.37 . . . . . . . . 143 ILE CB . 50955 1 655 . 1 . 1 137 137 ILE N N 15 130.89 . . . . . . . . 143 ILE N . 50955 1 656 . 1 . 1 138 138 ASP H H 1 8.659 . . . . . . . . 144 ASP H . 50955 1 657 . 1 . 1 138 138 ASP C C 13 178.02 . . . . . . . . 144 ASP C . 50955 1 658 . 1 . 1 138 138 ASP CA C 13 53.09 . . . . . . . . 144 ASP CA . 50955 1 659 . 1 . 1 138 138 ASP CB C 13 41.19 . . . . . . . . 144 ASP CB . 50955 1 660 . 1 . 1 138 138 ASP N N 15 124.35 . . . . . . . . 144 ASP N . 50955 1 661 . 1 . 1 139 139 LYS H H 1 8.783 . . . . . . . . 145 LYS H . 50955 1 662 . 1 . 1 139 139 LYS C C 13 178.4 . . . . . . . . 145 LYS C . 50955 1 663 . 1 . 1 139 139 LYS CA C 13 59.55 . . . . . . . . 145 LYS CA . 50955 1 664 . 1 . 1 139 139 LYS CB C 13 33.64 . . . . . . . . 145 LYS CB . 50955 1 665 . 1 . 1 139 139 LYS N N 15 116.25 . . . . . . . . 145 LYS N . 50955 1 666 . 1 . 1 140 140 ASN H H 1 8.185 . . . . . . . . 146 ASN H . 50955 1 667 . 1 . 1 140 140 ASN C C 13 175.98 . . . . . . . . 146 ASN C . 50955 1 668 . 1 . 1 140 140 ASN CA C 13 52.94 . . . . . . . . 146 ASN CA . 50955 1 669 . 1 . 1 140 140 ASN CB C 13 39.34 . . . . . . . . 146 ASN CB . 50955 1 670 . 1 . 1 140 140 ASN N N 15 114.5 . . . . . . . . 146 ASN N . 50955 1 671 . 1 . 1 141 141 GLY H H 1 8.684 . . . . . . . . 147 GLY H . 50955 1 672 . 1 . 1 141 141 GLY C C 13 173.59 . . . . . . . . 147 GLY C . 50955 1 673 . 1 . 1 141 141 GLY CA C 13 45.76 . . . . . . . . 147 GLY CA . 50955 1 674 . 1 . 1 141 141 GLY N N 15 110.61 . . . . . . . . 147 GLY N . 50955 1 675 . 1 . 1 142 142 CYS H H 1 8.533 . . . . . . . . 148 CYS H . 50955 1 676 . 1 . 1 142 142 CYS C C 13 175.07 . . . . . . . . 148 CYS C . 50955 1 677 . 1 . 1 142 142 CYS CA C 13 58.46 . . . . . . . . 148 CYS CA . 50955 1 678 . 1 . 1 142 142 CYS CB C 13 28.33 . . . . . . . . 148 CYS CB . 50955 1 679 . 1 . 1 142 142 CYS N N 15 120.35 . . . . . . . . 148 CYS N . 50955 1 680 . 1 . 1 143 143 VAL H H 1 8.594 . . . . . . . . 149 VAL H . 50955 1 681 . 1 . 1 143 143 VAL C C 13 178.55 . . . . . . . . 149 VAL C . 50955 1 682 . 1 . 1 143 143 VAL CA C 13 63.64 . . . . . . . . 149 VAL CA . 50955 1 683 . 1 . 1 143 143 VAL CB C 13 31.73 . . . . . . . . 149 VAL CB . 50955 1 684 . 1 . 1 143 143 VAL N N 15 123.71 . . . . . . . . 149 VAL N . 50955 1 685 . 1 . 1 144 144 VAL H H 1 9.229 . . . . . . . . 150 VAL H . 50955 1 686 . 1 . 1 144 144 VAL C C 13 175.07 . . . . . . . . 150 VAL C . 50955 1 687 . 1 . 1 144 144 VAL CA C 13 61.73 . . . . . . . . 150 VAL CA . 50955 1 688 . 1 . 1 144 144 VAL CB C 13 33.16 . . . . . . . . 150 VAL CB . 50955 1 689 . 1 . 1 144 144 VAL N N 15 122.34 . . . . . . . . 150 VAL N . 50955 1 690 . 1 . 1 145 145 LYS H H 1 7.374 . . . . . . . . 151 LYS H . 50955 1 691 . 1 . 1 145 145 LYS C C 13 172.44 . . . . . . . . 151 LYS C . 50955 1 692 . 1 . 1 145 145 LYS CA C 13 57.48 . . . . . . . . 151 LYS CA . 50955 1 693 . 1 . 1 145 145 LYS CB C 13 36.33 . . . . . . . . 151 LYS CB . 50955 1 694 . 1 . 1 145 145 LYS N N 15 119.66 . . . . . . . . 151 LYS N . 50955 1 695 . 1 . 1 146 146 ARG H H 1 7.673 . . . . . . . . 152 ARG H . 50955 1 696 . 1 . 1 146 146 ARG C C 13 173.55 . . . . . . . . 152 ARG C . 50955 1 697 . 1 . 1 146 146 ARG CA C 13 54.16 . . . . . . . . 152 ARG CA . 50955 1 698 . 1 . 1 146 146 ARG CB C 13 33.86 . . . . . . . . 152 ARG CB . 50955 1 699 . 1 . 1 146 146 ARG N N 15 123.64 . . . . . . . . 152 ARG N . 50955 1 700 . 1 . 1 147 147 TYR H H 1 9.528 . . . . . . . . 153 TYR H . 50955 1 701 . 1 . 1 147 147 TYR C C 13 175.65 . . . . . . . . 153 TYR C . 50955 1 702 . 1 . 1 147 147 TYR CA C 13 55.9 . . . . . . . . 153 TYR CA . 50955 1 703 . 1 . 1 147 147 TYR CB C 13 39.68 . . . . . . . . 153 TYR CB . 50955 1 704 . 1 . 1 147 147 TYR N N 15 126.9 . . . . . . . . 153 TYR N . 50955 1 705 . 1 . 1 148 148 GLY H H 1 9.332 . . . . . . . . 154 GLY H . 50955 1 706 . 1 . 1 148 148 GLY C C 13 172.34 . . . . . . . . 154 GLY C . 50955 1 707 . 1 . 1 148 148 GLY CA C 13 46.05 . . . . . . . . 154 GLY CA . 50955 1 708 . 1 . 1 148 148 GLY N N 15 110.37 . . . . . . . . 154 GLY N . 50955 1 709 . 1 . 1 149 149 PRO C C 13 178 . . . . . . . . 155 PRO C . 50955 1 710 . 1 . 1 149 149 PRO CA C 13 64.17 . . . . . . . . 155 PRO CA . 50955 1 711 . 1 . 1 149 149 PRO CB C 13 33.31 . . . . . . . . 155 PRO CB . 50955 1 712 . 1 . 1 150 150 MET H H 1 8.466 . . . . . . . . 156 MET H . 50955 1 713 . 1 . 1 150 150 MET C C 13 176.86 . . . . . . . . 156 MET C . 50955 1 714 . 1 . 1 150 150 MET CA C 13 55.06 . . . . . . . . 156 MET CA . 50955 1 715 . 1 . 1 150 150 MET CB C 13 31.09 . . . . . . . . 156 MET CB . 50955 1 716 . 1 . 1 150 150 MET N N 15 112.29 . . . . . . . . 156 MET N . 50955 1 717 . 1 . 1 151 151 GLU H H 1 7.943 . . . . . . . . 157 GLU H . 50955 1 718 . 1 . 1 151 151 GLU C C 13 175.45 . . . . . . . . 157 GLU C . 50955 1 719 . 1 . 1 151 151 GLU CA C 13 56.01 . . . . . . . . 157 GLU CA . 50955 1 720 . 1 . 1 151 151 GLU CB C 13 29.43 . . . . . . . . 157 GLU CB . 50955 1 721 . 1 . 1 151 151 GLU N N 15 121.88 . . . . . . . . 157 GLU N . 50955 1 722 . 1 . 1 152 152 GLU H H 1 9.019 . . . . . . . . 158 GLU H . 50955 1 723 . 1 . 1 152 152 GLU C C 13 174.71 . . . . . . . . 158 GLU C . 50955 1 724 . 1 . 1 152 152 GLU CA C 13 55.45 . . . . . . . . 158 GLU CA . 50955 1 725 . 1 . 1 152 152 GLU CB C 13 27.27 . . . . . . . . 158 GLU CB . 50955 1 726 . 1 . 1 152 152 GLU N N 15 128.77 . . . . . . . . 158 GLU N . 50955 1 727 . 1 . 1 153 153 PRO C C 13 176.78 . . . . . . . . 159 PRO C . 50955 1 728 . 1 . 1 153 153 PRO CA C 13 65.92 . . . . . . . . 159 PRO CA . 50955 1 729 . 1 . 1 153 153 PRO CB C 13 31.37 . . . . . . . . 159 PRO CB . 50955 1 730 . 1 . 1 154 154 LEU H H 1 8.484 . . . . . . . . 160 LEU H . 50955 1 731 . 1 . 1 154 154 LEU C C 13 180.32 . . . . . . . . 160 LEU C . 50955 1 732 . 1 . 1 154 154 LEU CA C 13 58.17 . . . . . . . . 160 LEU CA . 50955 1 733 . 1 . 1 154 154 LEU CB C 13 41.04 . . . . . . . . 160 LEU CB . 50955 1 734 . 1 . 1 154 154 LEU N N 15 112.38 . . . . . . . . 160 LEU N . 50955 1 735 . 1 . 1 155 155 VAL H H 1 8.326 . . . . . . . . 161 VAL H . 50955 1 736 . 1 . 1 155 155 VAL C C 13 178.27 . . . . . . . . 161 VAL C . 50955 1 737 . 1 . 1 155 155 VAL CA C 13 65.4 . . . . . . . . 161 VAL CA . 50955 1 738 . 1 . 1 155 155 VAL CB C 13 31.47 . . . . . . . . 161 VAL CB . 50955 1 739 . 1 . 1 155 155 VAL N N 15 118.72 . . . . . . . . 161 VAL N . 50955 1 740 . 1 . 1 156 156 ILE H H 1 7.843 . . . . . . . . 162 ILE H . 50955 1 741 . 1 . 1 156 156 ILE C C 13 178.1 . . . . . . . . 162 ILE C . 50955 1 742 . 1 . 1 156 156 ILE CA C 13 63.15 . . . . . . . . 162 ILE CA . 50955 1 743 . 1 . 1 156 156 ILE CB C 13 37.54 . . . . . . . . 162 ILE CB . 50955 1 744 . 1 . 1 156 156 ILE N N 15 120.39 . . . . . . . . 162 ILE N . 50955 1 745 . 1 . 1 157 157 GLU H H 1 7.398 . . . . . . . . 163 GLU H . 50955 1 746 . 1 . 1 157 157 GLU C C 13 177.68 . . . . . . . . 163 GLU C . 50955 1 747 . 1 . 1 157 157 GLU CA C 13 60.05 . . . . . . . . 163 GLU CA . 50955 1 748 . 1 . 1 157 157 GLU CB C 13 29.89 . . . . . . . . 163 GLU CB . 50955 1 749 . 1 . 1 157 157 GLU N N 15 117.94 . . . . . . . . 163 GLU N . 50955 1 750 . 1 . 1 158 158 LYS H H 1 7.417 . . . . . . . . 164 LYS H . 50955 1 751 . 1 . 1 158 158 LYS C C 13 177.24 . . . . . . . . 164 LYS C . 50955 1 752 . 1 . 1 158 158 LYS CA C 13 58.23 . . . . . . . . 164 LYS CA . 50955 1 753 . 1 . 1 158 158 LYS CB C 13 32.08 . . . . . . . . 164 LYS CB . 50955 1 754 . 1 . 1 158 158 LYS N N 15 114.06 . . . . . . . . 164 LYS N . 50955 1 755 . 1 . 1 159 159 ASP H H 1 7.648 . . . . . . . . 165 ASP H . 50955 1 756 . 1 . 1 159 159 ASP C C 13 176.62 . . . . . . . . 165 ASP C . 50955 1 757 . 1 . 1 159 159 ASP CA C 13 55.5 . . . . . . . . 165 ASP CA . 50955 1 758 . 1 . 1 159 159 ASP CB C 13 42.26 . . . . . . . . 165 ASP CB . 50955 1 759 . 1 . 1 159 159 ASP N N 15 116.3 . . . . . . . . 165 ASP N . 50955 1 760 . 1 . 1 160 160 LEU H H 1 7.168 . . . . . . . . 166 LEU H . 50955 1 761 . 1 . 1 160 160 LEU C C 13 174.55 . . . . . . . . 166 LEU C . 50955 1 762 . 1 . 1 160 160 LEU CA C 13 59.26 . . . . . . . . 166 LEU CA . 50955 1 763 . 1 . 1 160 160 LEU CB C 13 39.32 . . . . . . . . 166 LEU CB . 50955 1 764 . 1 . 1 160 160 LEU N N 15 117.19 . . . . . . . . 166 LEU N . 50955 1 765 . 1 . 1 161 161 PRO C C 13 177.79 . . . . . . . . 167 PRO C . 50955 1 766 . 1 . 1 161 161 PRO CA C 13 65.83 . . . . . . . . 167 PRO CA . 50955 1 767 . 1 . 1 161 161 PRO CB C 13 31.12 . . . . . . . . 167 PRO CB . 50955 1 768 . 1 . 1 162 162 HIS H H 1 7.259 . . . . . . . . 168 HIS H . 50955 1 769 . 1 . 1 162 162 HIS C C 13 175.01 . . . . . . . . 168 HIS C . 50955 1 770 . 1 . 1 162 162 HIS CA C 13 56.35 . . . . . . . . 168 HIS CA . 50955 1 771 . 1 . 1 162 162 HIS CB C 13 28.51 . . . . . . . . 168 HIS CB . 50955 1 772 . 1 . 1 162 162 HIS N N 15 112.02 . . . . . . . . 168 HIS N . 50955 1 773 . 1 . 1 163 163 TYR H H 1 7.886 . . . . . . . . 169 TYR H . 50955 1 774 . 1 . 1 163 163 TYR C C 13 175.04 . . . . . . . . 169 TYR C . 50955 1 775 . 1 . 1 163 163 TYR CA C 13 59.07 . . . . . . . . 169 TYR CA . 50955 1 776 . 1 . 1 163 163 TYR CB C 13 40.5 . . . . . . . . 169 TYR CB . 50955 1 777 . 1 . 1 163 163 TYR N N 15 115.21 . . . . . . . . 169 TYR N . 50955 1 778 . 1 . 1 164 164 PHE H H 1 6.828 . . . . . . . . 170 PHE H . 50955 1 779 . 1 . 1 164 164 PHE C C 13 181.69 . . . . . . . . 170 PHE C . 50955 1 780 . 1 . 1 164 164 PHE CA C 13 58.76 . . . . . . . . 170 PHE CA . 50955 1 781 . 1 . 1 164 164 PHE CB C 13 38.62 . . . . . . . . 170 PHE CB . 50955 1 782 . 1 . 1 164 164 PHE N N 15 122.25 . . . . . . . . 170 PHE N . 50955 1 stop_ save_