data_53413 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53413 _Entry.Title ; 1H, 15N, 13C backbone resonance assignment for S4E/S6E phosphomimetic double mutant of UP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-03 _Entry.Accession_date 2025-11-03 _Entry.Last_release_date 2025-11-03 _Entry.Original_release_date 2025-11-03 _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 Sayan Das . . . 0009-0007-0006-4273 53413 2 Vincenzo Venditti . . . 0000-0001-8734-0400 53413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 53413 '15N chemical shifts' 178 53413 '1H chemical shifts' 178 53413 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-10 . original BMRB . 53413 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53410 'Backbone Resonance Assignments for S4DS6D double Phosphomimetic UP1 Mutation' 53413 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53413 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation-Dependent Remodeling of XIAP IRES by hnRNPA1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sayan Das . . . . 53413 1 2 Louise Dunnett . . . . 53413 1 3 Vincenzo Venditti . . . . 53413 1 4 Filippo Prischi . . . . 53413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53413 _Assembly.ID 1 _Assembly.Name UP1E _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 UP1E 1 $entity_1 . . yes native no no . . . 53413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53413 _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 ; GGSKEEEPKEPEQLRKLFIG GLSFETTDESLRSHFEQWGT LTDCVVMRDPNTKRSRGFGF VTYATVEEVDAAMNARPHKV DGRVVEPKRAVSREDSQRPG AHLTVKKIFVGGIKEDTEEH HLRDYFEQYGKIEVIEIMTD RGSGKKRGFAFVTFDDHDSV DKIVIQKYHTVNGHNCEVRK ALSKQEMASASSSQRGR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 . GLY . 53413 1 2 . GLY . 53413 1 3 . SER . 53413 1 4 . LYS . 53413 1 5 . GLU . 53413 1 6 . GLU . 53413 1 7 . GLU . 53413 1 8 . PRO . 53413 1 9 . LYS . 53413 1 10 . GLU . 53413 1 11 . PRO . 53413 1 12 . GLU . 53413 1 13 . GLN . 53413 1 14 . LEU . 53413 1 15 . ARG . 53413 1 16 . LYS . 53413 1 17 . LEU . 53413 1 18 . PHE . 53413 1 19 . ILE . 53413 1 20 . GLY . 53413 1 21 . GLY . 53413 1 22 . LEU . 53413 1 23 . SER . 53413 1 24 . PHE . 53413 1 25 . GLU . 53413 1 26 . THR . 53413 1 27 . THR . 53413 1 28 . ASP . 53413 1 29 . GLU . 53413 1 30 . SER . 53413 1 31 . LEU . 53413 1 32 . ARG . 53413 1 33 . SER . 53413 1 34 . HIS . 53413 1 35 . PHE . 53413 1 36 . GLU . 53413 1 37 . GLN . 53413 1 38 . TRP . 53413 1 39 . GLY . 53413 1 40 . THR . 53413 1 41 . LEU . 53413 1 42 . THR . 53413 1 43 . ASP . 53413 1 44 . CYS . 53413 1 45 . VAL . 53413 1 46 . VAL . 53413 1 47 . MET . 53413 1 48 . ARG . 53413 1 49 . ASP . 53413 1 50 . PRO . 53413 1 51 . ASN . 53413 1 52 . THR . 53413 1 53 . LYS . 53413 1 54 . ARG . 53413 1 55 . SER . 53413 1 56 . ARG . 53413 1 57 . GLY . 53413 1 58 . PHE . 53413 1 59 . GLY . 53413 1 60 . PHE . 53413 1 61 . VAL . 53413 1 62 . THR . 53413 1 63 . TYR . 53413 1 64 . ALA . 53413 1 65 . THR . 53413 1 66 . VAL . 53413 1 67 . GLU . 53413 1 68 . GLU . 53413 1 69 . VAL . 53413 1 70 . ASP . 53413 1 71 . ALA . 53413 1 72 . ALA . 53413 1 73 . MET . 53413 1 74 . ASN . 53413 1 75 . ALA . 53413 1 76 . ARG . 53413 1 77 . PRO . 53413 1 78 . HIS . 53413 1 79 . LYS . 53413 1 80 . VAL . 53413 1 81 . ASP . 53413 1 82 . GLY . 53413 1 83 . ARG . 53413 1 84 . VAL . 53413 1 85 . VAL . 53413 1 86 . GLU . 53413 1 87 . PRO . 53413 1 88 . LYS . 53413 1 89 . ARG . 53413 1 90 . ALA . 53413 1 91 . VAL . 53413 1 92 . SER . 53413 1 93 . ARG . 53413 1 94 . GLU . 53413 1 95 . ASP . 53413 1 96 . SER . 53413 1 97 . GLN . 53413 1 98 . ARG . 53413 1 99 . PRO . 53413 1 100 . GLY . 53413 1 101 . ALA . 53413 1 102 . HIS . 53413 1 103 . LEU . 53413 1 104 . THR . 53413 1 105 . VAL . 53413 1 106 . LYS . 53413 1 107 . LYS . 53413 1 108 . ILE . 53413 1 109 . PHE . 53413 1 110 . VAL . 53413 1 111 . GLY . 53413 1 112 . GLY . 53413 1 113 . ILE . 53413 1 114 . LYS . 53413 1 115 . GLU . 53413 1 116 . ASP . 53413 1 117 . THR . 53413 1 118 . GLU . 53413 1 119 . GLU . 53413 1 120 . HIS . 53413 1 121 . HIS . 53413 1 122 . LEU . 53413 1 123 . ARG . 53413 1 124 . ASP . 53413 1 125 . TYR . 53413 1 126 . PHE . 53413 1 127 . GLU . 53413 1 128 . GLN . 53413 1 129 . TYR . 53413 1 130 . GLY . 53413 1 131 . LYS . 53413 1 132 . ILE . 53413 1 133 . GLU . 53413 1 134 . VAL . 53413 1 135 . ILE . 53413 1 136 . GLU . 53413 1 137 . ILE . 53413 1 138 . MET . 53413 1 139 . THR . 53413 1 140 . ASP . 53413 1 141 . ARG . 53413 1 142 . GLY . 53413 1 143 . SER . 53413 1 144 . GLY . 53413 1 145 . LYS . 53413 1 146 . LYS . 53413 1 147 . ARG . 53413 1 148 . GLY . 53413 1 149 . PHE . 53413 1 150 . ALA . 53413 1 151 . PHE . 53413 1 152 . VAL . 53413 1 153 . THR . 53413 1 154 . PHE . 53413 1 155 . ASP . 53413 1 156 . ASP . 53413 1 157 . HIS . 53413 1 158 . ASP . 53413 1 159 . SER . 53413 1 160 . VAL . 53413 1 161 . ASP . 53413 1 162 . LYS . 53413 1 163 . ILE . 53413 1 164 . VAL . 53413 1 165 . ILE . 53413 1 166 . GLN . 53413 1 167 . LYS . 53413 1 168 . TYR . 53413 1 169 . HIS . 53413 1 170 . THR . 53413 1 171 . VAL . 53413 1 172 . ASN . 53413 1 173 . GLY . 53413 1 174 . HIS . 53413 1 175 . ASN . 53413 1 176 . CYS . 53413 1 177 . GLU . 53413 1 178 . VAL . 53413 1 179 . ARG . 53413 1 180 . LYS . 53413 1 181 . ALA . 53413 1 182 . LEU . 53413 1 183 . SER . 53413 1 184 . LYS . 53413 1 185 . GLN . 53413 1 186 . GLU . 53413 1 187 . MET . 53413 1 188 . ALA . 53413 1 189 . SER . 53413 1 190 . ALA . 53413 1 191 . SER . 53413 1 192 . SER . 53413 1 193 . SER . 53413 1 194 . GLN . 53413 1 195 . ARG . 53413 1 196 . GLY . 53413 1 197 . ARG . 53413 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 53413 1 . GLY 2 2 53413 1 . SER 3 3 53413 1 . LYS 4 4 53413 1 . GLU 5 5 53413 1 . GLU 6 6 53413 1 . GLU 7 7 53413 1 . PRO 8 8 53413 1 . LYS 9 9 53413 1 . GLU 10 10 53413 1 . PRO 11 11 53413 1 . GLU 12 12 53413 1 . GLN 13 13 53413 1 . LEU 14 14 53413 1 . ARG 15 15 53413 1 . LYS 16 16 53413 1 . LEU 17 17 53413 1 . PHE 18 18 53413 1 . ILE 19 19 53413 1 . GLY 20 20 53413 1 . GLY 21 21 53413 1 . LEU 22 22 53413 1 . SER 23 23 53413 1 . PHE 24 24 53413 1 . GLU 25 25 53413 1 . THR 26 26 53413 1 . THR 27 27 53413 1 . ASP 28 28 53413 1 . GLU 29 29 53413 1 . SER 30 30 53413 1 . LEU 31 31 53413 1 . ARG 32 32 53413 1 . SER 33 33 53413 1 . HIS 34 34 53413 1 . PHE 35 35 53413 1 . GLU 36 36 53413 1 . GLN 37 37 53413 1 . TRP 38 38 53413 1 . GLY 39 39 53413 1 . THR 40 40 53413 1 . LEU 41 41 53413 1 . THR 42 42 53413 1 . ASP 43 43 53413 1 . CYS 44 44 53413 1 . VAL 45 45 53413 1 . VAL 46 46 53413 1 . MET 47 47 53413 1 . ARG 48 48 53413 1 . ASP 49 49 53413 1 . PRO 50 50 53413 1 . ASN 51 51 53413 1 . THR 52 52 53413 1 . LYS 53 53 53413 1 . ARG 54 54 53413 1 . SER 55 55 53413 1 . ARG 56 56 53413 1 . GLY 57 57 53413 1 . PHE 58 58 53413 1 . GLY 59 59 53413 1 . PHE 60 60 53413 1 . VAL 61 61 53413 1 . THR 62 62 53413 1 . TYR 63 63 53413 1 . ALA 64 64 53413 1 . THR 65 65 53413 1 . VAL 66 66 53413 1 . GLU 67 67 53413 1 . GLU 68 68 53413 1 . VAL 69 69 53413 1 . ASP 70 70 53413 1 . ALA 71 71 53413 1 . ALA 72 72 53413 1 . MET 73 73 53413 1 . ASN 74 74 53413 1 . ALA 75 75 53413 1 . ARG 76 76 53413 1 . PRO 77 77 53413 1 . HIS 78 78 53413 1 . LYS 79 79 53413 1 . VAL 80 80 53413 1 . ASP 81 81 53413 1 . GLY 82 82 53413 1 . ARG 83 83 53413 1 . VAL 84 84 53413 1 . VAL 85 85 53413 1 . GLU 86 86 53413 1 . PRO 87 87 53413 1 . LYS 88 88 53413 1 . ARG 89 89 53413 1 . ALA 90 90 53413 1 . VAL 91 91 53413 1 . SER 92 92 53413 1 . ARG 93 93 53413 1 . GLU 94 94 53413 1 . ASP 95 95 53413 1 . SER 96 96 53413 1 . GLN 97 97 53413 1 . ARG 98 98 53413 1 . PRO 99 99 53413 1 . GLY 100 100 53413 1 . ALA 101 101 53413 1 . HIS 102 102 53413 1 . LEU 103 103 53413 1 . THR 104 104 53413 1 . VAL 105 105 53413 1 . LYS 106 106 53413 1 . LYS 107 107 53413 1 . ILE 108 108 53413 1 . PHE 109 109 53413 1 . VAL 110 110 53413 1 . GLY 111 111 53413 1 . GLY 112 112 53413 1 . ILE 113 113 53413 1 . LYS 114 114 53413 1 . GLU 115 115 53413 1 . ASP 116 116 53413 1 . THR 117 117 53413 1 . GLU 118 118 53413 1 . GLU 119 119 53413 1 . HIS 120 120 53413 1 . HIS 121 121 53413 1 . LEU 122 122 53413 1 . ARG 123 123 53413 1 . ASP 124 124 53413 1 . TYR 125 125 53413 1 . PHE 126 126 53413 1 . GLU 127 127 53413 1 . GLN 128 128 53413 1 . TYR 129 129 53413 1 . GLY 130 130 53413 1 . LYS 131 131 53413 1 . ILE 132 132 53413 1 . GLU 133 133 53413 1 . VAL 134 134 53413 1 . ILE 135 135 53413 1 . GLU 136 136 53413 1 . ILE 137 137 53413 1 . MET 138 138 53413 1 . THR 139 139 53413 1 . ASP 140 140 53413 1 . ARG 141 141 53413 1 . GLY 142 142 53413 1 . SER 143 143 53413 1 . GLY 144 144 53413 1 . LYS 145 145 53413 1 . LYS 146 146 53413 1 . ARG 147 147 53413 1 . GLY 148 148 53413 1 . PHE 149 149 53413 1 . ALA 150 150 53413 1 . PHE 151 151 53413 1 . VAL 152 152 53413 1 . THR 153 153 53413 1 . PHE 154 154 53413 1 . ASP 155 155 53413 1 . ASP 156 156 53413 1 . HIS 157 157 53413 1 . ASP 158 158 53413 1 . SER 159 159 53413 1 . VAL 160 160 53413 1 . ASP 161 161 53413 1 . LYS 162 162 53413 1 . ILE 163 163 53413 1 . VAL 164 164 53413 1 . ILE 165 165 53413 1 . GLN 166 166 53413 1 . LYS 167 167 53413 1 . TYR 168 168 53413 1 . HIS 169 169 53413 1 . THR 170 170 53413 1 . VAL 171 171 53413 1 . ASN 172 172 53413 1 . GLY 173 173 53413 1 . HIS 174 174 53413 1 . ASN 175 175 53413 1 . CYS 176 176 53413 1 . GLU 177 177 53413 1 . VAL 178 178 53413 1 . ARG 179 179 53413 1 . LYS 180 180 53413 1 . ALA 181 181 53413 1 . LEU 182 182 53413 1 . SER 183 183 53413 1 . LYS 184 184 53413 1 . GLN 185 185 53413 1 . GLU 186 186 53413 1 . MET 187 187 53413 1 . ALA 188 188 53413 1 . SER 189 189 53413 1 . ALA 190 190 53413 1 . SER 191 191 53413 1 . SER 192 192 53413 1 . SER 193 193 53413 1 . GLN 194 194 53413 1 . ARG 195 195 53413 1 . GLY 196 196 53413 1 . ARG 197 197 53413 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 53413 _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 . . . . . . . . . . . . . 53413 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 53413 _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 . . pETM-14 . . . 53413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53413 _Sample.ID 1 _Sample.Name '1H, 15N, 13C sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UP1E '[U-13C; U-15N; U-1H]' . . 1 $entity_1 . . 1 . . mM . . . . 53413 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53413 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53413 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 53413 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'UP1E sample condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53413 1 pH 6.5 . pH 53413 1 pressure 1 . atm 53413 1 temperature 298 . K 53413 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53413 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53413 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53413 _Software.ID 2 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53413 2 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 53413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AV NEO 700 Cryo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 53413 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 1 2 '3D HNCO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 1 3 '3D HNCA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 1 4 '3D HNCACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 1 5 '3D HN(CO)CACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 1 6 '3D HN(CO)CA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53413 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 53413 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift Reference' _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 water protons . . . . ppm 4.773 internal indirect . . . . . . 53413 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 53413 1 N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 53413 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 53413 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UP1E Assignment' _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 TROSY' . . . 53413 1 2 '3D HNCO' . . . 53413 1 3 '3D HNCA' . . . 53413 1 4 '3D HNCACB' . . . 53413 1 5 '3D HN(CO)CACB' . . . 53413 1 6 '3D HN(CO)CA' . . . 53413 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 . . 53413 1 2 $software_2 . . 53413 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 1 1 GLY C C 13 176.697 0.000 . 1 . . . . . 1 GLY C . 53413 1 2 . 1 . 1 2 2 GLY H H 1 8.593 0.000 . 1 . . . . . 2 GLY H . 53413 1 3 . 1 . 1 2 2 GLY C C 13 174.232 0.000 . 1 . . . . . 2 GLY C . 53413 1 4 . 1 . 1 2 2 GLY CA C 13 45.422 0.061 . 1 . . . . . 2 GLY CA . 53413 1 5 . 1 . 1 2 2 GLY N N 15 111.709 0.004 . 1 . . . . . 2 GLY N . 53413 1 6 . 1 . 1 3 3 SER H H 1 8.183 0.002 . 1 . . . . . 3 SER H . 53413 1 7 . 1 . 1 3 3 SER C C 13 174.717 0.000 . 1 . . . . . 3 SER C . 53413 1 8 . 1 . 1 3 3 SER CA C 13 58.393 0.066 . 1 . . . . . 3 SER CA . 53413 1 9 . 1 . 1 3 3 SER CB C 13 64.204 0.031 . 1 . . . . . 3 SER CB . 53413 1 10 . 1 . 1 3 3 SER N N 15 116.636 0.002 . 1 . . . . . 3 SER N . 53413 1 11 . 1 . 1 4 4 LYS H H 1 8.453 0.004 . 1 . . . . . 4 LYS H . 53413 1 12 . 1 . 1 4 4 LYS C C 13 176.651 0.000 . 1 . . . . . 4 LYS C . 53413 1 13 . 1 . 1 4 4 LYS CA C 13 56.575 0.004 . 1 . . . . . 4 LYS CA . 53413 1 14 . 1 . 1 4 4 LYS CB C 13 33.065 0.074 . 1 . . . . . 4 LYS CB . 53413 1 15 . 1 . 1 4 4 LYS N N 15 123.933 0.038 . 1 . . . . . 4 LYS N . 53413 1 16 . 1 . 1 5 5 GLU H H 1 8.420 0.001 . 1 . . . . . 5 GLU H . 53413 1 17 . 1 . 1 5 5 GLU C C 13 176.367 0.000 . 1 . . . . . 5 GLU C . 53413 1 18 . 1 . 1 5 5 GLU CA C 13 56.706 0.023 . 1 . . . . . 5 GLU CA . 53413 1 19 . 1 . 1 5 5 GLU CB C 13 30.168 0.052 . 1 . . . . . 5 GLU CB . 53413 1 20 . 1 . 1 5 5 GLU N N 15 122.688 0.011 . 1 . . . . . 5 GLU N . 53413 1 21 . 1 . 1 6 6 GLU H H 1 8.325 0.003 . 1 . . . . . 6 GLU H . 53413 1 22 . 1 . 1 6 6 GLU C C 13 176.191 0.000 . 1 . . . . . 6 GLU C . 53413 1 23 . 1 . 1 6 6 GLU CA C 13 56.284 0.075 . 1 . . . . . 6 GLU CA . 53413 1 24 . 1 . 1 6 6 GLU CB C 13 30.619 0.075 . 1 . . . . . 6 GLU CB . 53413 1 25 . 1 . 1 6 6 GLU N N 15 122.315 0.004 . 1 . . . . . 6 GLU N . 53413 1 26 . 1 . 1 7 7 GLU H H 1 8.365 0.000 . 1 . . . . . 7 GLU H . 53413 1 27 . 1 . 1 7 7 GLU CA C 13 54.504 0.000 . 1 . . . . . 7 GLU CA . 53413 1 28 . 1 . 1 7 7 GLU CB C 13 30.033 0.000 . 1 . . . . . 7 GLU CB . 53413 1 29 . 1 . 1 7 7 GLU N N 15 124.394 0.004 . 1 . . . . . 7 GLU N . 53413 1 30 . 1 . 1 8 8 PRO C C 13 176.980 0.000 . 1 . . . . . 8 PRO C . 53413 1 31 . 1 . 1 8 8 PRO CA C 13 63.175 0.000 . 1 . . . . . 8 PRO CA . 53413 1 32 . 1 . 1 8 8 PRO CB C 13 32.178 0.000 . 1 . . . . . 8 PRO CB . 53413 1 33 . 1 . 1 9 9 LYS H H 1 8.486 0.001 . 1 . . . . . 9 LYS H . 53413 1 34 . 1 . 1 9 9 LYS C C 13 177.031 0.000 . 1 . . . . . 9 LYS C . 53413 1 35 . 1 . 1 9 9 LYS CA C 13 56.302 0.016 . 1 . . . . . 9 LYS CA . 53413 1 36 . 1 . 1 9 9 LYS CB C 13 33.680 0.086 . 1 . . . . . 9 LYS CB . 53413 1 37 . 1 . 1 9 9 LYS N N 15 122.594 0.006 . 1 . . . . . 9 LYS N . 53413 1 38 . 1 . 1 10 10 GLU H H 1 8.359 0.001 . 1 . . . . . 10 GLU H . 53413 1 39 . 1 . 1 10 10 GLU CA C 13 56.953 0.000 . 1 . . . . . 10 GLU CA . 53413 1 40 . 1 . 1 10 10 GLU CB C 13 29.829 0.000 . 1 . . . . . 10 GLU CB . 53413 1 41 . 1 . 1 10 10 GLU N N 15 121.497 0.036 . 1 . . . . . 10 GLU N . 53413 1 42 . 1 . 1 11 11 PRO C C 13 177.524 0.000 . 1 . . . . . 11 PRO C . 53413 1 43 . 1 . 1 11 11 PRO CA C 13 63.641 0.042 . 1 . . . . . 11 PRO CA . 53413 1 44 . 1 . 1 11 11 PRO CB C 13 32.353 0.022 . 1 . . . . . 11 PRO CB . 53413 1 45 . 1 . 1 12 12 GLU H H 1 8.733 0.001 . 1 . . . . . 12 GLU H . 53413 1 46 . 1 . 1 12 12 GLU C C 13 177.933 0.000 . 1 . . . . . 12 GLU C . 53413 1 47 . 1 . 1 12 12 GLU CA C 13 59.623 0.013 . 1 . . . . . 12 GLU CA . 53413 1 48 . 1 . 1 12 12 GLU CB C 13 29.851 0.024 . 1 . . . . . 12 GLU CB . 53413 1 49 . 1 . 1 12 12 GLU N N 15 123.641 0.023 . 1 . . . . . 12 GLU N . 53413 1 50 . 1 . 1 13 13 GLN H H 1 8.640 0.004 . 1 . . . . . 13 GLN H . 53413 1 51 . 1 . 1 13 13 GLN C C 13 177.570 0.000 . 1 . . . . . 13 GLN C . 53413 1 52 . 1 . 1 13 13 GLN CA C 13 58.604 0.102 . 1 . . . . . 13 GLN CA . 53413 1 53 . 1 . 1 13 13 GLN CB C 13 28.156 0.088 . 1 . . . . . 13 GLN CB . 53413 1 54 . 1 . 1 13 13 GLN N N 15 116.931 0.017 . 1 . . . . . 13 GLN N . 53413 1 55 . 1 . 1 14 14 LEU H H 1 7.519 0.002 . 1 . . . . . 14 LEU H . 53413 1 56 . 1 . 1 14 14 LEU C C 13 177.156 0.000 . 1 . . . . . 14 LEU C . 53413 1 57 . 1 . 1 14 14 LEU CA C 13 55.999 0.022 . 1 . . . . . 14 LEU CA . 53413 1 58 . 1 . 1 14 14 LEU CB C 13 42.281 0.049 . 1 . . . . . 14 LEU CB . 53413 1 59 . 1 . 1 14 14 LEU N N 15 117.332 0.020 . 1 . . . . . 14 LEU N . 53413 1 60 . 1 . 1 15 15 ARG H H 1 7.620 0.002 . 1 . . . . . 15 ARG H . 53413 1 61 . 1 . 1 15 15 ARG C C 13 173.032 0.000 . 1 . . . . . 15 ARG C . 53413 1 62 . 1 . 1 15 15 ARG CA C 13 56.213 0.047 . 1 . . . . . 15 ARG CA . 53413 1 63 . 1 . 1 15 15 ARG CB C 13 30.990 0.013 . 1 . . . . . 15 ARG CB . 53413 1 64 . 1 . 1 15 15 ARG N N 15 117.689 0.013 . 1 . . . . . 15 ARG N . 53413 1 65 . 1 . 1 16 16 LYS H H 1 6.989 0.002 . 1 . . . . . 16 LYS H . 53413 1 66 . 1 . 1 16 16 LYS C C 13 175.713 0.000 . 1 . . . . . 16 LYS C . 53413 1 67 . 1 . 1 16 16 LYS CA C 13 55.546 0.141 . 1 . . . . . 16 LYS CA . 53413 1 68 . 1 . 1 16 16 LYS CB C 13 36.002 0.048 . 1 . . . . . 16 LYS CB . 53413 1 69 . 1 . 1 16 16 LYS N N 15 120.680 0.018 . 1 . . . . . 16 LYS N . 53413 1 70 . 1 . 1 17 17 LEU H H 1 9.631 0.003 . 1 . . . . . 17 LEU H . 53413 1 71 . 1 . 1 17 17 LEU C C 13 176.340 0.000 . 1 . . . . . 17 LEU C . 53413 1 72 . 1 . 1 17 17 LEU CA C 13 53.231 0.082 . 1 . . . . . 17 LEU CA . 53413 1 73 . 1 . 1 17 17 LEU CB C 13 45.054 0.065 . 1 . . . . . 17 LEU CB . 53413 1 74 . 1 . 1 17 17 LEU N N 15 126.725 0.019 . 1 . . . . . 17 LEU N . 53413 1 75 . 1 . 1 18 18 PHE H H 1 9.055 0.002 . 1 . . . . . 18 PHE H . 53413 1 76 . 1 . 1 18 18 PHE C C 13 174.405 0.000 . 1 . . . . . 18 PHE C . 53413 1 77 . 1 . 1 18 18 PHE CA C 13 57.187 0.035 . 1 . . . . . 18 PHE CA . 53413 1 78 . 1 . 1 18 18 PHE CB C 13 40.697 0.033 . 1 . . . . . 18 PHE CB . 53413 1 79 . 1 . 1 18 18 PHE N N 15 124.228 0.018 . 1 . . . . . 18 PHE N . 53413 1 80 . 1 . 1 19 19 ILE H H 1 8.511 0.003 . 1 . . . . . 19 ILE H . 53413 1 81 . 1 . 1 19 19 ILE C C 13 173.848 0.000 . 1 . . . . . 19 ILE C . 53413 1 82 . 1 . 1 19 19 ILE CA C 13 59.347 0.117 . 1 . . . . . 19 ILE CA . 53413 1 83 . 1 . 1 19 19 ILE CB C 13 36.894 0.004 . 1 . . . . . 19 ILE CB . 53413 1 84 . 1 . 1 19 19 ILE N N 15 127.592 0.017 . 1 . . . . . 19 ILE N . 53413 1 85 . 1 . 1 20 20 GLY H H 1 7.980 0.001 . 1 . . . . . 20 GLY H . 53413 1 86 . 1 . 1 20 20 GLY C C 13 174.489 0.000 . 1 . . . . . 20 GLY C . 53413 1 87 . 1 . 1 20 20 GLY CA C 13 43.678 0.012 . 1 . . . . . 20 GLY CA . 53413 1 88 . 1 . 1 20 20 GLY N N 15 113.666 0.008 . 1 . . . . . 20 GLY N . 53413 1 89 . 1 . 1 21 21 GLY H H 1 8.594 0.001 . 1 . . . . . 21 GLY H . 53413 1 90 . 1 . 1 21 21 GLY C C 13 175.615 0.000 . 1 . . . . . 21 GLY C . 53413 1 91 . 1 . 1 21 21 GLY CA C 13 46.593 0.016 . 1 . . . . . 21 GLY CA . 53413 1 92 . 1 . 1 21 21 GLY N N 15 108.246 0.007 . 1 . . . . . 21 GLY N . 53413 1 93 . 1 . 1 22 22 LEU H H 1 7.518 0.000 . 1 . . . . . 22 LEU H . 53413 1 94 . 1 . 1 22 22 LEU C C 13 179.133 0.000 . 1 . . . . . 22 LEU C . 53413 1 95 . 1 . 1 22 22 LEU CA C 13 54.306 0.076 . 1 . . . . . 22 LEU CA . 53413 1 96 . 1 . 1 22 22 LEU CB C 13 42.932 0.080 . 1 . . . . . 22 LEU CB . 53413 1 97 . 1 . 1 22 22 LEU N N 15 115.895 0.003 . 1 . . . . . 22 LEU N . 53413 1 98 . 1 . 1 23 23 SER H H 1 9.149 0.002 . 1 . . . . . 23 SER H . 53413 1 99 . 1 . 1 23 23 SER C C 13 177.917 0.000 . 1 . . . . . 23 SER C . 53413 1 100 . 1 . 1 23 23 SER CA C 13 57.642 0.061 . 1 . . . . . 23 SER CA . 53413 1 101 . 1 . 1 23 23 SER CB C 13 63.144 0.047 . 1 . . . . . 23 SER CB . 53413 1 102 . 1 . 1 23 23 SER N N 15 115.377 0.011 . 1 . . . . . 23 SER N . 53413 1 103 . 1 . 1 24 24 PHE H H 1 9.097 0.006 . 1 . . . . . 24 PHE H . 53413 1 104 . 1 . 1 24 24 PHE C C 13 175.652 0.000 . 1 . . . . . 24 PHE C . 53413 1 105 . 1 . 1 24 24 PHE CA C 13 60.203 0.182 . 1 . . . . . 24 PHE CA . 53413 1 106 . 1 . 1 24 24 PHE CB C 13 37.683 0.074 . 1 . . . . . 24 PHE CB . 53413 1 107 . 1 . 1 24 24 PHE N N 15 129.135 0.015 . 1 . . . . . 24 PHE N . 53413 1 108 . 1 . 1 25 25 GLU H H 1 8.321 0.002 . 1 . . . . . 25 GLU H . 53413 1 109 . 1 . 1 25 25 GLU C C 13 177.455 0.000 . 1 . . . . . 25 GLU C . 53413 1 110 . 1 . 1 25 25 GLU CA C 13 56.713 0.107 . 1 . . . . . 25 GLU CA . 53413 1 111 . 1 . 1 25 25 GLU CB C 13 29.970 0.010 . 1 . . . . . 25 GLU CB . 53413 1 112 . 1 . 1 25 25 GLU N N 15 116.718 0.011 . 1 . . . . . 25 GLU N . 53413 1 113 . 1 . 1 26 26 THR H H 1 7.319 0.002 . 1 . . . . . 26 THR H . 53413 1 114 . 1 . 1 26 26 THR C C 13 174.226 0.000 . 1 . . . . . 26 THR C . 53413 1 115 . 1 . 1 26 26 THR CA C 13 64.892 0.037 . 1 . . . . . 26 THR CA . 53413 1 116 . 1 . 1 26 26 THR CB C 13 68.660 0.088 . 1 . . . . . 26 THR CB . 53413 1 117 . 1 . 1 26 26 THR N N 15 119.539 0.010 . 1 . . . . . 26 THR N . 53413 1 118 . 1 . 1 27 27 THR H H 1 8.450 0.002 . 1 . . . . . 27 THR H . 53413 1 119 . 1 . 1 27 27 THR C C 13 174.590 0.000 . 1 . . . . . 27 THR C . 53413 1 120 . 1 . 1 27 27 THR CA C 13 59.503 0.184 . 1 . . . . . 27 THR CA . 53413 1 121 . 1 . 1 27 27 THR CB C 13 73.152 0.178 . 1 . . . . . 27 THR CB . 53413 1 122 . 1 . 1 27 27 THR N N 15 120.016 0.022 . 1 . . . . . 27 THR N . 53413 1 123 . 1 . 1 28 28 ASP H H 1 8.841 0.001 . 1 . . . . . 28 ASP H . 53413 1 124 . 1 . 1 28 28 ASP C C 13 178.362 0.000 . 1 . . . . . 28 ASP C . 53413 1 125 . 1 . 1 28 28 ASP CA C 13 58.327 0.165 . 1 . . . . . 28 ASP CA . 53413 1 126 . 1 . 1 28 28 ASP CB C 13 39.926 0.023 . 1 . . . . . 28 ASP CB . 53413 1 127 . 1 . 1 28 28 ASP N N 15 121.141 0.003 . 1 . . . . . 28 ASP N . 53413 1 128 . 1 . 1 29 29 GLU H H 1 8.430 0.001 . 1 . . . . . 29 GLU H . 53413 1 129 . 1 . 1 29 29 GLU C C 13 178.985 0.000 . 1 . . . . . 29 GLU C . 53413 1 130 . 1 . 1 29 29 GLU CA C 13 60.388 0.185 . 1 . . . . . 29 GLU CA . 53413 1 131 . 1 . 1 29 29 GLU CB C 13 29.316 0.039 . 1 . . . . . 29 GLU CB . 53413 1 132 . 1 . 1 29 29 GLU N N 15 117.233 0.013 . 1 . . . . . 29 GLU N . 53413 1 133 . 1 . 1 30 30 SER H H 1 8.411 0.003 . 1 . . . . . 30 SER H . 53413 1 134 . 1 . 1 30 30 SER C C 13 178.191 0.000 . 1 . . . . . 30 SER C . 53413 1 135 . 1 . 1 30 30 SER CA C 13 61.748 0.274 . 1 . . . . . 30 SER CA . 53413 1 136 . 1 . 1 30 30 SER CB C 13 62.350 0.235 . 1 . . . . . 30 SER CB . 53413 1 137 . 1 . 1 30 30 SER N N 15 121.207 0.018 . 1 . . . . . 30 SER N . 53413 1 138 . 1 . 1 31 31 LEU H H 1 8.542 0.002 . 1 . . . . . 31 LEU H . 53413 1 139 . 1 . 1 31 31 LEU C C 13 178.396 0.000 . 1 . . . . . 31 LEU C . 53413 1 140 . 1 . 1 31 31 LEU CA C 13 58.353 0.206 . 1 . . . . . 31 LEU CA . 53413 1 141 . 1 . 1 31 31 LEU CB C 13 42.657 0.126 . 1 . . . . . 31 LEU CB . 53413 1 142 . 1 . 1 31 31 LEU N N 15 127.578 0.001 . 1 . . . . . 31 LEU N . 53413 1 143 . 1 . 1 32 32 ARG H H 1 8.050 0.005 . 1 . . . . . 32 ARG H . 53413 1 144 . 1 . 1 32 32 ARG C C 13 177.779 0.000 . 1 . . . . . 32 ARG C . 53413 1 145 . 1 . 1 32 32 ARG CA C 13 59.666 0.038 . 1 . . . . . 32 ARG CA . 53413 1 146 . 1 . 1 32 32 ARG CB C 13 30.734 0.085 . 1 . . . . . 32 ARG CB . 53413 1 147 . 1 . 1 32 32 ARG N N 15 122.166 0.018 . 1 . . . . . 32 ARG N . 53413 1 148 . 1 . 1 33 33 SER H H 1 8.353 0.002 . 1 . . . . . 33 SER H . 53413 1 149 . 1 . 1 33 33 SER C C 13 176.433 0.000 . 1 . . . . . 33 SER C . 53413 1 150 . 1 . 1 33 33 SER CA C 13 61.395 0.048 . 1 . . . . . 33 SER CA . 53413 1 151 . 1 . 1 33 33 SER CB C 13 62.807 0.046 . 1 . . . . . 33 SER CB . 53413 1 152 . 1 . 1 33 33 SER N N 15 113.614 0.004 . 1 . . . . . 33 SER N . 53413 1 153 . 1 . 1 34 34 HIS H H 1 7.421 0.001 . 1 . . . . . 34 HIS H . 53413 1 154 . 1 . 1 34 34 HIS C C 13 177.306 0.000 . 1 . . . . . 34 HIS C . 53413 1 155 . 1 . 1 34 34 HIS CA C 13 60.351 0.178 . 1 . . . . . 34 HIS CA . 53413 1 156 . 1 . 1 34 34 HIS CB C 13 29.883 0.043 . 1 . . . . . 34 HIS CB . 53413 1 157 . 1 . 1 34 34 HIS N N 15 115.804 0.030 . 1 . . . . . 34 HIS N . 53413 1 158 . 1 . 1 35 35 PHE H H 1 8.280 0.002 . 1 . . . . . 35 PHE H . 53413 1 159 . 1 . 1 35 35 PHE C C 13 178.970 0.000 . 1 . . . . . 35 PHE C . 53413 1 160 . 1 . 1 35 35 PHE CA C 13 64.121 0.101 . 1 . . . . . 35 PHE CA . 53413 1 161 . 1 . 1 35 35 PHE CB C 13 38.530 0.183 . 1 . . . . . 35 PHE CB . 53413 1 162 . 1 . 1 35 35 PHE N N 15 114.210 0.008 . 1 . . . . . 35 PHE N . 53413 1 163 . 1 . 1 36 36 GLU H H 1 9.282 0.002 . 1 . . . . . 36 GLU H . 53413 1 164 . 1 . 1 36 36 GLU C C 13 176.404 0.000 . 1 . . . . . 36 GLU C . 53413 1 165 . 1 . 1 36 36 GLU CA C 13 58.060 0.059 . 1 . . . . . 36 GLU CA . 53413 1 166 . 1 . 1 36 36 GLU CB C 13 28.674 0.085 . 1 . . . . . 36 GLU CB . 53413 1 167 . 1 . 1 36 36 GLU N N 15 125.212 0.020 . 1 . . . . . 36 GLU N . 53413 1 168 . 1 . 1 37 37 GLN H H 1 6.983 0.001 . 1 . . . . . 37 GLN H . 53413 1 169 . 1 . 1 37 37 GLN C C 13 176.511 0.000 . 1 . . . . . 37 GLN C . 53413 1 170 . 1 . 1 37 37 GLN CA C 13 58.229 0.097 . 1 . . . . . 37 GLN CA . 53413 1 171 . 1 . 1 37 37 GLN CB C 13 27.624 0.027 . 1 . . . . . 37 GLN CB . 53413 1 172 . 1 . 1 37 37 GLN N N 15 117.375 0.004 . 1 . . . . . 37 GLN N . 53413 1 173 . 1 . 1 38 38 TRP H H 1 7.043 0.003 . 1 . . . . . 38 TRP H . 53413 1 174 . 1 . 1 38 38 TRP C C 13 173.641 0.000 . 1 . . . . . 38 TRP C . 53413 1 175 . 1 . 1 38 38 TRP CA C 13 61.862 0.339 . 1 . . . . . 38 TRP CA . 53413 1 176 . 1 . 1 38 38 TRP CB C 13 29.007 0.688 . 1 . . . . . 38 TRP CB . 53413 1 177 . 1 . 1 38 38 TRP N N 15 115.336 0.015 . 1 . . . . . 38 TRP N . 53413 1 178 . 1 . 1 39 39 GLY H H 1 7.321 0.005 . 1 . . . . . 39 GLY H . 53413 1 179 . 1 . 1 39 39 GLY C C 13 171.648 0.000 . 1 . . . . . 39 GLY C . 53413 1 180 . 1 . 1 39 39 GLY CA C 13 45.594 0.008 . 1 . . . . . 39 GLY CA . 53413 1 181 . 1 . 1 39 39 GLY N N 15 105.807 0.019 . 1 . . . . . 39 GLY N . 53413 1 182 . 1 . 1 40 40 THR H H 1 8.698 0.003 . 1 . . . . . 40 THR H . 53413 1 183 . 1 . 1 40 40 THR C C 13 173.752 0.000 . 1 . . . . . 40 THR C . 53413 1 184 . 1 . 1 40 40 THR CA C 13 62.931 0.009 . 1 . . . . . 40 THR CA . 53413 1 185 . 1 . 1 40 40 THR CB C 13 69.830 0.047 . 1 . . . . . 40 THR CB . 53413 1 186 . 1 . 1 40 40 THR N N 15 117.726 0.010 . 1 . . . . . 40 THR N . 53413 1 187 . 1 . 1 41 41 LEU H H 1 8.863 0.002 . 1 . . . . . 41 LEU H . 53413 1 188 . 1 . 1 41 41 LEU C C 13 178.374 0.000 . 1 . . . . . 41 LEU C . 53413 1 189 . 1 . 1 41 41 LEU CA C 13 52.970 0.019 . 1 . . . . . 41 LEU CA . 53413 1 190 . 1 . 1 41 41 LEU CB C 13 41.795 0.048 . 1 . . . . . 41 LEU CB . 53413 1 191 . 1 . 1 41 41 LEU N N 15 127.351 0.011 . 1 . . . . . 41 LEU N . 53413 1 192 . 1 . 1 42 42 THR H H 1 8.947 0.002 . 1 . . . . . 42 THR H . 53413 1 193 . 1 . 1 42 42 THR C C 13 175.059 0.000 . 1 . . . . . 42 THR C . 53413 1 194 . 1 . 1 42 42 THR CA C 13 62.720 0.306 . 1 . . . . . 42 THR CA . 53413 1 195 . 1 . 1 42 42 THR CB C 13 67.681 0.032 . 1 . . . . . 42 THR CB . 53413 1 196 . 1 . 1 42 42 THR N N 15 118.047 0.025 . 1 . . . . . 42 THR N . 53413 1 197 . 1 . 1 43 43 ASP H H 1 7.530 0.002 . 1 . . . . . 43 ASP H . 53413 1 198 . 1 . 1 43 43 ASP C C 13 174.681 0.000 . 1 . . . . . 43 ASP C . 53413 1 199 . 1 . 1 43 43 ASP CA C 13 54.230 0.030 . 1 . . . . . 43 ASP CA . 53413 1 200 . 1 . 1 43 43 ASP CB C 13 44.226 0.011 . 1 . . . . . 43 ASP CB . 53413 1 201 . 1 . 1 43 43 ASP N N 15 119.388 0.005 . 1 . . . . . 43 ASP N . 53413 1 202 . 1 . 1 44 44 CYS H H 1 8.483 0.001 . 1 . . . . . 44 CYS H . 53413 1 203 . 1 . 1 44 44 CYS C C 13 171.946 0.000 . 1 . . . . . 44 CYS C . 53413 1 204 . 1 . 1 44 44 CYS CA C 13 59.430 0.039 . 1 . . . . . 44 CYS CA . 53413 1 205 . 1 . 1 44 44 CYS CB C 13 26.408 0.020 . 1 . . . . . 44 CYS CB . 53413 1 206 . 1 . 1 44 44 CYS N N 15 124.331 0.008 . 1 . . . . . 44 CYS N . 53413 1 207 . 1 . 1 45 45 VAL H H 1 8.762 0.000 . 1 . . . . . 45 VAL H . 53413 1 208 . 1 . 1 45 45 VAL C C 13 173.357 0.000 . 1 . . . . . 45 VAL C . 53413 1 209 . 1 . 1 45 45 VAL CA C 13 60.083 0.079 . 1 . . . . . 45 VAL CA . 53413 1 210 . 1 . 1 45 45 VAL CB C 13 36.526 0.009 . 1 . . . . . 45 VAL CB . 53413 1 211 . 1 . 1 45 45 VAL N N 15 127.452 0.017 . 1 . . . . . 45 VAL N . 53413 1 212 . 1 . 1 46 46 VAL H H 1 8.300 0.001 . 1 . . . . . 46 VAL H . 53413 1 213 . 1 . 1 46 46 VAL C C 13 176.693 0.000 . 1 . . . . . 46 VAL C . 53413 1 214 . 1 . 1 46 46 VAL CA C 13 62.723 0.164 . 1 . . . . . 46 VAL CA . 53413 1 215 . 1 . 1 46 46 VAL CB C 13 33.224 0.071 . 1 . . . . . 46 VAL CB . 53413 1 216 . 1 . 1 46 46 VAL N N 15 126.134 0.028 . 1 . . . . . 46 VAL N . 53413 1 217 . 1 . 1 47 47 MET H H 1 8.465 0.001 . 1 . . . . . 47 MET H . 53413 1 218 . 1 . 1 47 47 MET C C 13 175.457 0.000 . 1 . . . . . 47 MET C . 53413 1 219 . 1 . 1 47 47 MET CA C 13 54.865 0.028 . 1 . . . . . 47 MET CA . 53413 1 220 . 1 . 1 47 47 MET CB C 13 30.487 0.088 . 1 . . . . . 47 MET CB . 53413 1 221 . 1 . 1 47 47 MET N N 15 127.542 0.004 . 1 . . . . . 47 MET N . 53413 1 222 . 1 . 1 48 48 ARG H H 1 8.357 0.003 . 1 . . . . . 48 ARG H . 53413 1 223 . 1 . 1 48 48 ARG C C 13 176.061 0.000 . 1 . . . . . 48 ARG C . 53413 1 224 . 1 . 1 48 48 ARG CA C 13 54.413 0.085 . 1 . . . . . 48 ARG CA . 53413 1 225 . 1 . 1 48 48 ARG CB C 13 34.065 0.062 . 1 . . . . . 48 ARG CB . 53413 1 226 . 1 . 1 48 48 ARG N N 15 121.300 0.042 . 1 . . . . . 48 ARG N . 53413 1 227 . 1 . 1 49 49 ASP H H 1 8.608 0.001 . 1 . . . . . 49 ASP H . 53413 1 228 . 1 . 1 49 49 ASP CA C 13 52.029 0.000 . 1 . . . . . 49 ASP CA . 53413 1 229 . 1 . 1 49 49 ASP CB C 13 42.919 0.000 . 1 . . . . . 49 ASP CB . 53413 1 230 . 1 . 1 49 49 ASP N N 15 125.910 0.008 . 1 . . . . . 49 ASP N . 53413 1 231 . 1 . 1 50 50 PRO C C 13 177.183 0.000 . 1 . . . . . 50 PRO C . 53413 1 232 . 1 . 1 50 50 PRO CA C 13 64.613 0.038 . 1 . . . . . 50 PRO CA . 53413 1 233 . 1 . 1 50 50 PRO CB C 13 32.165 0.021 . 1 . . . . . 50 PRO CB . 53413 1 234 . 1 . 1 51 51 ASN H H 1 8.588 0.001 . 1 . . . . . 51 ASN H . 53413 1 235 . 1 . 1 51 51 ASN C C 13 176.660 0.000 . 1 . . . . . 51 ASN C . 53413 1 236 . 1 . 1 51 51 ASN CA C 13 55.326 0.098 . 1 . . . . . 51 ASN CA . 53413 1 237 . 1 . 1 51 51 ASN CB C 13 39.466 0.005 . 1 . . . . . 51 ASN CB . 53413 1 238 . 1 . 1 51 51 ASN N N 15 116.161 0.006 . 1 . . . . . 51 ASN N . 53413 1 239 . 1 . 1 52 52 THR H H 1 8.322 0.001 . 1 . . . . . 52 THR H . 53413 1 240 . 1 . 1 52 52 THR C C 13 176.046 0.000 . 1 . . . . . 52 THR C . 53413 1 241 . 1 . 1 52 52 THR CA C 13 61.933 0.241 . 1 . . . . . 52 THR CA . 53413 1 242 . 1 . 1 52 52 THR CB C 13 70.922 0.137 . 1 . . . . . 52 THR CB . 53413 1 243 . 1 . 1 52 52 THR N N 15 109.522 0.014 . 1 . . . . . 52 THR N . 53413 1 244 . 1 . 1 53 53 LYS H H 1 8.105 0.002 . 1 . . . . . 53 LYS H . 53413 1 245 . 1 . 1 53 53 LYS C C 13 175.362 0.000 . 1 . . . . . 53 LYS C . 53413 1 246 . 1 . 1 53 53 LYS CA C 13 58.063 0.308 . 1 . . . . . 53 LYS CA . 53413 1 247 . 1 . 1 53 53 LYS CB C 13 29.239 0.048 . 1 . . . . . 53 LYS CB . 53413 1 248 . 1 . 1 53 53 LYS N N 15 115.262 0.029 . 1 . . . . . 53 LYS N . 53413 1 249 . 1 . 1 54 54 ARG H H 1 7.886 0.002 . 1 . . . . . 54 ARG H . 53413 1 250 . 1 . 1 54 54 ARG C C 13 176.592 0.000 . 1 . . . . . 54 ARG C . 53413 1 251 . 1 . 1 54 54 ARG CA C 13 56.268 0.083 . 1 . . . . . 54 ARG CA . 53413 1 252 . 1 . 1 54 54 ARG CB C 13 31.069 0.018 . 1 . . . . . 54 ARG CB . 53413 1 253 . 1 . 1 54 54 ARG N N 15 121.166 0.008 . 1 . . . . . 54 ARG N . 53413 1 254 . 1 . 1 55 55 SER H H 1 8.851 0.001 . 1 . . . . . 55 SER H . 53413 1 255 . 1 . 1 55 55 SER C C 13 175.789 0.000 . 1 . . . . . 55 SER C . 53413 1 256 . 1 . 1 55 55 SER CA C 13 58.672 0.049 . 1 . . . . . 55 SER CA . 53413 1 257 . 1 . 1 55 55 SER CB C 13 63.909 0.083 . 1 . . . . . 55 SER CB . 53413 1 258 . 1 . 1 55 55 SER N N 15 117.639 0.009 . 1 . . . . . 55 SER N . 53413 1 259 . 1 . 1 56 56 ARG H H 1 9.013 0.002 . 1 . . . . . 56 ARG H . 53413 1 260 . 1 . 1 56 56 ARG C C 13 177.960 0.000 . 1 . . . . . 56 ARG C . 53413 1 261 . 1 . 1 56 56 ARG CA C 13 56.164 0.019 . 1 . . . . . 56 ARG CA . 53413 1 262 . 1 . 1 56 56 ARG CB C 13 31.351 0.003 . 1 . . . . . 56 ARG CB . 53413 1 263 . 1 . 1 56 56 ARG N N 15 124.148 0.011 . 1 . . . . . 56 ARG N . 53413 1 264 . 1 . 1 57 57 GLY H H 1 9.407 0.001 . 1 . . . . . 57 GLY H . 53413 1 265 . 1 . 1 57 57 GLY C C 13 171.853 0.000 . 1 . . . . . 57 GLY C . 53413 1 266 . 1 . 1 57 57 GLY CA C 13 45.679 0.061 . 1 . . . . . 57 GLY CA . 53413 1 267 . 1 . 1 57 57 GLY N N 15 108.070 0.010 . 1 . . . . . 57 GLY N . 53413 1 268 . 1 . 1 58 58 PHE H H 1 7.061 0.000 . 1 . . . . . 58 PHE H . 53413 1 269 . 1 . 1 58 58 PHE C C 13 172.637 0.000 . 1 . . . . . 58 PHE C . 53413 1 270 . 1 . 1 58 58 PHE CA C 13 54.968 0.072 . 1 . . . . . 58 PHE CA . 53413 1 271 . 1 . 1 58 58 PHE CB C 13 41.711 0.027 . 1 . . . . . 58 PHE CB . 53413 1 272 . 1 . 1 58 58 PHE N N 15 113.154 0.002 . 1 . . . . . 58 PHE N . 53413 1 273 . 1 . 1 59 59 GLY H H 1 8.365 0.004 . 1 . . . . . 59 GLY H . 53413 1 274 . 1 . 1 59 59 GLY C C 13 170.060 0.000 . 1 . . . . . 59 GLY C . 53413 1 275 . 1 . 1 59 59 GLY CA C 13 45.335 0.006 . 1 . . . . . 59 GLY CA . 53413 1 276 . 1 . 1 59 59 GLY N N 15 107.462 0.030 . 1 . . . . . 59 GLY N . 53413 1 277 . 1 . 1 60 60 PHE H H 1 8.929 0.000 . 1 . . . . . 60 PHE H . 53413 1 278 . 1 . 1 60 60 PHE C C 13 174.985 0.000 . 1 . . . . . 60 PHE C . 53413 1 279 . 1 . 1 60 60 PHE CA C 13 56.582 0.064 . 1 . . . . . 60 PHE CA . 53413 1 280 . 1 . 1 60 60 PHE CB C 13 43.970 0.022 . 1 . . . . . 60 PHE CB . 53413 1 281 . 1 . 1 60 60 PHE N N 15 115.830 0.007 . 1 . . . . . 60 PHE N . 53413 1 282 . 1 . 1 61 61 VAL H H 1 8.594 0.001 . 1 . . . . . 61 VAL H . 53413 1 283 . 1 . 1 61 61 VAL C C 13 173.256 0.000 . 1 . . . . . 61 VAL C . 53413 1 284 . 1 . 1 61 61 VAL CA C 13 59.425 0.039 . 1 . . . . . 61 VAL CA . 53413 1 285 . 1 . 1 61 61 VAL CB C 13 34.829 0.075 . 1 . . . . . 61 VAL CB . 53413 1 286 . 1 . 1 61 61 VAL N N 15 115.928 0.009 . 1 . . . . . 61 VAL N . 53413 1 287 . 1 . 1 62 62 THR H H 1 8.197 0.002 . 1 . . . . . 62 THR H . 53413 1 288 . 1 . 1 62 62 THR C C 13 174.018 0.000 . 1 . . . . . 62 THR C . 53413 1 289 . 1 . 1 62 62 THR CA C 13 61.070 0.076 . 1 . . . . . 62 THR CA . 53413 1 290 . 1 . 1 62 62 THR CB C 13 70.229 0.059 . 1 . . . . . 62 THR CB . 53413 1 291 . 1 . 1 62 62 THR N N 15 120.836 0.013 . 1 . . . . . 62 THR N . 53413 1 292 . 1 . 1 63 63 TYR H H 1 8.430 0.004 . 1 . . . . . 63 TYR H . 53413 1 293 . 1 . 1 63 63 TYR C C 13 176.693 0.000 . 1 . . . . . 63 TYR C . 53413 1 294 . 1 . 1 63 63 TYR CA C 13 58.342 0.037 . 1 . . . . . 63 TYR CA . 53413 1 295 . 1 . 1 63 63 TYR CB C 13 42.357 0.057 . 1 . . . . . 63 TYR CB . 53413 1 296 . 1 . 1 63 63 TYR N N 15 125.895 0.013 . 1 . . . . . 63 TYR N . 53413 1 297 . 1 . 1 64 64 ALA H H 1 8.755 0.001 . 1 . . . . . 64 ALA H . 53413 1 298 . 1 . 1 64 64 ALA C C 13 178.368 0.000 . 1 . . . . . 64 ALA C . 53413 1 299 . 1 . 1 64 64 ALA CA C 13 55.612 0.242 . 1 . . . . . 64 ALA CA . 53413 1 300 . 1 . 1 64 64 ALA CB C 13 19.310 0.170 . 1 . . . . . 64 ALA CB . 53413 1 301 . 1 . 1 64 64 ALA N N 15 122.197 0.033 . 1 . . . . . 64 ALA N . 53413 1 302 . 1 . 1 65 65 THR H H 1 7.975 0.001 . 1 . . . . . 65 THR H . 53413 1 303 . 1 . 1 65 65 THR C C 13 174.680 0.000 . 1 . . . . . 65 THR C . 53413 1 304 . 1 . 1 65 65 THR CA C 13 59.137 0.014 . 1 . . . . . 65 THR CA . 53413 1 305 . 1 . 1 65 65 THR CB C 13 73.403 0.000 . 1 . . . . . 65 THR CB . 53413 1 306 . 1 . 1 65 65 THR N N 15 105.769 0.034 . 1 . . . . . 65 THR N . 53413 1 307 . 1 . 1 66 66 VAL H H 1 9.006 0.002 . 1 . . . . . 66 VAL H . 53413 1 308 . 1 . 1 66 66 VAL C C 13 177.204 0.000 . 1 . . . . . 66 VAL C . 53413 1 309 . 1 . 1 66 66 VAL CA C 13 65.563 0.054 . 1 . . . . . 66 VAL CA . 53413 1 310 . 1 . 1 66 66 VAL CB C 13 32.110 0.404 . 1 . . . . . 66 VAL CB . 53413 1 311 . 1 . 1 66 66 VAL N N 15 121.693 0.015 . 1 . . . . . 66 VAL N . 53413 1 312 . 1 . 1 67 67 GLU H H 1 8.680 0.005 . 1 . . . . . 67 GLU H . 53413 1 313 . 1 . 1 67 67 GLU C C 13 180.062 0.000 . 1 . . . . . 67 GLU C . 53413 1 314 . 1 . 1 67 67 GLU CA C 13 60.409 0.050 . 1 . . . . . 67 GLU CA . 53413 1 315 . 1 . 1 67 67 GLU CB C 13 29.028 0.096 . 1 . . . . . 67 GLU CB . 53413 1 316 . 1 . 1 67 67 GLU N N 15 121.465 0.030 . 1 . . . . . 67 GLU N . 53413 1 317 . 1 . 1 68 68 GLU H H 1 7.508 0.002 . 1 . . . . . 68 GLU H . 53413 1 318 . 1 . 1 68 68 GLU C C 13 177.030 0.000 . 1 . . . . . 68 GLU C . 53413 1 319 . 1 . 1 68 68 GLU CA C 13 59.579 0.132 . 1 . . . . . 68 GLU CA . 53413 1 320 . 1 . 1 68 68 GLU CB C 13 29.290 0.179 . 1 . . . . . 68 GLU CB . 53413 1 321 . 1 . 1 68 68 GLU N N 15 121.404 0.018 . 1 . . . . . 68 GLU N . 53413 1 322 . 1 . 1 69 69 VAL H H 1 6.905 0.001 . 1 . . . . . 69 VAL H . 53413 1 323 . 1 . 1 69 69 VAL C C 13 178.293 0.000 . 1 . . . . . 69 VAL C . 53413 1 324 . 1 . 1 69 69 VAL CA C 13 66.544 0.061 . 1 . . . . . 69 VAL CA . 53413 1 325 . 1 . 1 69 69 VAL CB C 13 31.118 0.132 . 1 . . . . . 69 VAL CB . 53413 1 326 . 1 . 1 69 69 VAL N N 15 119.141 0.008 . 1 . . . . . 69 VAL N . 53413 1 327 . 1 . 1 70 70 ASP H H 1 8.151 0.005 . 1 . . . . . 70 ASP H . 53413 1 328 . 1 . 1 70 70 ASP C C 13 178.744 0.000 . 1 . . . . . 70 ASP C . 53413 1 329 . 1 . 1 70 70 ASP CA C 13 57.459 0.061 . 1 . . . . . 70 ASP CA . 53413 1 330 . 1 . 1 70 70 ASP CB C 13 39.920 0.038 . 1 . . . . . 70 ASP CB . 53413 1 331 . 1 . 1 70 70 ASP N N 15 120.015 0.031 . 1 . . . . . 70 ASP N . 53413 1 332 . 1 . 1 71 71 ALA H H 1 7.765 0.003 . 1 . . . . . 71 ALA H . 53413 1 333 . 1 . 1 71 71 ALA C C 13 180.553 0.000 . 1 . . . . . 71 ALA C . 53413 1 334 . 1 . 1 71 71 ALA CA C 13 55.242 0.018 . 1 . . . . . 71 ALA CA . 53413 1 335 . 1 . 1 71 71 ALA CB C 13 18.205 0.052 . 1 . . . . . 71 ALA CB . 53413 1 336 . 1 . 1 71 71 ALA N N 15 123.656 0.012 . 1 . . . . . 71 ALA N . 53413 1 337 . 1 . 1 72 72 ALA H H 1 8.219 0.189 . 1 . . . . . 72 ALA H . 53413 1 338 . 1 . 1 72 72 ALA C C 13 182.178 0.000 . 1 . . . . . 72 ALA C . 53413 1 339 . 1 . 1 72 72 ALA CA C 13 55.313 0.028 . 1 . . . . . 72 ALA CA . 53413 1 340 . 1 . 1 72 72 ALA CB C 13 18.050 0.114 . 1 . . . . . 72 ALA CB . 53413 1 341 . 1 . 1 72 72 ALA N N 15 121.721 1.071 . 1 . . . . . 72 ALA N . 53413 1 342 . 1 . 1 73 73 MET H H 1 8.717 0.001 . 1 . . . . . 73 MET H . 53413 1 343 . 1 . 1 73 73 MET C C 13 179.395 0.000 . 1 . . . . . 73 MET C . 53413 1 344 . 1 . 1 73 73 MET CA C 13 56.367 0.065 . 1 . . . . . 73 MET CA . 53413 1 345 . 1 . 1 73 73 MET CB C 13 30.589 0.056 . 1 . . . . . 73 MET CB . 53413 1 346 . 1 . 1 73 73 MET N N 15 118.859 0.004 . 1 . . . . . 73 MET N . 53413 1 347 . 1 . 1 74 74 ASN H H 1 8.087 0.001 . 1 . . . . . 74 ASN H . 53413 1 348 . 1 . 1 74 74 ASN C C 13 175.046 0.000 . 1 . . . . . 74 ASN C . 53413 1 349 . 1 . 1 74 74 ASN CA C 13 54.336 0.010 . 1 . . . . . 74 ASN CA . 53413 1 350 . 1 . 1 74 74 ASN CB C 13 38.562 0.064 . 1 . . . . . 74 ASN CB . 53413 1 351 . 1 . 1 74 74 ASN N N 15 119.881 0.005 . 1 . . . . . 74 ASN N . 53413 1 352 . 1 . 1 75 75 ALA H H 1 6.980 0.002 . 1 . . . . . 75 ALA H . 53413 1 353 . 1 . 1 75 75 ALA C C 13 175.333 0.000 . 1 . . . . . 75 ALA C . 53413 1 354 . 1 . 1 75 75 ALA CA C 13 51.363 0.054 . 1 . . . . . 75 ALA CA . 53413 1 355 . 1 . 1 75 75 ALA CB C 13 19.235 0.115 . 1 . . . . . 75 ALA CB . 53413 1 356 . 1 . 1 75 75 ALA N N 15 123.074 0.007 . 1 . . . . . 75 ALA N . 53413 1 357 . 1 . 1 76 76 ARG H H 1 6.862 0.006 . 1 . . . . . 76 ARG H . 53413 1 358 . 1 . 1 76 76 ARG CA C 13 55.099 0.000 . 1 . . . . . 76 ARG CA . 53413 1 359 . 1 . 1 76 76 ARG CB C 13 30.577 0.000 . 1 . . . . . 76 ARG CB . 53413 1 360 . 1 . 1 76 76 ARG N N 15 117.646 0.005 . 1 . . . . . 76 ARG N . 53413 1 361 . 1 . 1 77 77 PRO C C 13 175.643 0.000 . 1 . . . . . 77 PRO C . 53413 1 362 . 1 . 1 77 77 PRO CA C 13 61.683 0.015 . 1 . . . . . 77 PRO CA . 53413 1 363 . 1 . 1 77 77 PRO CB C 13 35.166 0.050 . 1 . . . . . 77 PRO CB . 53413 1 364 . 1 . 1 78 78 HIS H H 1 9.490 0.003 . 1 . . . . . 78 HIS H . 53413 1 365 . 1 . 1 78 78 HIS C C 13 173.076 0.000 . 1 . . . . . 78 HIS C . 53413 1 366 . 1 . 1 78 78 HIS CA C 13 56.273 0.024 . 1 . . . . . 78 HIS CA . 53413 1 367 . 1 . 1 78 78 HIS CB C 13 32.474 0.023 . 1 . . . . . 78 HIS CB . 53413 1 368 . 1 . 1 78 78 HIS N N 15 122.366 0.005 . 1 . . . . . 78 HIS N . 53413 1 369 . 1 . 1 79 79 LYS H H 1 8.521 0.004 . 1 . . . . . 79 LYS H . 53413 1 370 . 1 . 1 79 79 LYS C C 13 175.039 0.000 . 1 . . . . . 79 LYS C . 53413 1 371 . 1 . 1 79 79 LYS CA C 13 55.096 0.179 . 1 . . . . . 79 LYS CA . 53413 1 372 . 1 . 1 79 79 LYS CB C 13 33.574 0.265 . 1 . . . . . 79 LYS CB . 53413 1 373 . 1 . 1 79 79 LYS N N 15 126.132 0.007 . 1 . . . . . 79 LYS N . 53413 1 374 . 1 . 1 80 80 VAL H H 1 8.656 0.002 . 1 . . . . . 80 VAL H . 53413 1 375 . 1 . 1 80 80 VAL C C 13 176.248 0.000 . 1 . . . . . 80 VAL C . 53413 1 376 . 1 . 1 80 80 VAL CA C 13 60.857 0.063 . 1 . . . . . 80 VAL CA . 53413 1 377 . 1 . 1 80 80 VAL CB C 13 33.483 0.030 . 1 . . . . . 80 VAL CB . 53413 1 378 . 1 . 1 80 80 VAL N N 15 124.946 0.012 . 1 . . . . . 80 VAL N . 53413 1 379 . 1 . 1 81 81 ASP H H 1 9.586 0.001 . 1 . . . . . 81 ASP H . 53413 1 380 . 1 . 1 81 81 ASP C C 13 175.724 0.000 . 1 . . . . . 81 ASP C . 53413 1 381 . 1 . 1 81 81 ASP CA C 13 55.940 0.024 . 1 . . . . . 81 ASP CA . 53413 1 382 . 1 . 1 81 81 ASP CB C 13 39.849 0.161 . 1 . . . . . 81 ASP CB . 53413 1 383 . 1 . 1 81 81 ASP N N 15 129.326 0.020 . 1 . . . . . 81 ASP N . 53413 1 384 . 1 . 1 82 82 GLY H H 1 8.530 0.001 . 1 . . . . . 82 GLY H . 53413 1 385 . 1 . 1 82 82 GLY C C 13 173.592 0.000 . 1 . . . . . 82 GLY C . 53413 1 386 . 1 . 1 82 82 GLY CA C 13 45.521 0.012 . 1 . . . . . 82 GLY CA . 53413 1 387 . 1 . 1 82 82 GLY N N 15 102.365 0.020 . 1 . . . . . 82 GLY N . 53413 1 388 . 1 . 1 83 83 ARG H H 1 7.566 0.001 . 1 . . . . . 83 ARG H . 53413 1 389 . 1 . 1 83 83 ARG C C 13 174.555 0.000 . 1 . . . . . 83 ARG C . 53413 1 390 . 1 . 1 83 83 ARG CA C 13 53.204 0.004 . 1 . . . . . 83 ARG CA . 53413 1 391 . 1 . 1 83 83 ARG CB C 13 32.520 0.064 . 1 . . . . . 83 ARG CB . 53413 1 392 . 1 . 1 83 83 ARG N N 15 120.999 0.009 . 1 . . . . . 83 ARG N . 53413 1 393 . 1 . 1 84 84 VAL H H 1 8.690 0.001 . 1 . . . . . 84 VAL H . 53413 1 394 . 1 . 1 84 84 VAL C C 13 176.697 0.000 . 1 . . . . . 84 VAL C . 53413 1 395 . 1 . 1 84 84 VAL CA C 13 63.216 0.165 . 1 . . . . . 84 VAL CA . 53413 1 396 . 1 . 1 84 84 VAL CB C 13 30.854 0.234 . 1 . . . . . 84 VAL CB . 53413 1 397 . 1 . 1 84 84 VAL N N 15 125.553 0.013 . 1 . . . . . 84 VAL N . 53413 1 398 . 1 . 1 85 85 VAL H H 1 8.414 0.003 . 1 . . . . . 85 VAL H . 53413 1 399 . 1 . 1 85 85 VAL C C 13 174.980 0.000 . 1 . . . . . 85 VAL C . 53413 1 400 . 1 . 1 85 85 VAL CA C 13 59.590 0.015 . 1 . . . . . 85 VAL CA . 53413 1 401 . 1 . 1 85 85 VAL CB C 13 32.397 0.297 . 1 . . . . . 85 VAL CB . 53413 1 402 . 1 . 1 85 85 VAL N N 15 123.496 0.025 . 1 . . . . . 85 VAL N . 53413 1 403 . 1 . 1 86 86 GLU H H 1 8.720 0.005 . 1 . . . . . 86 GLU H . 53413 1 404 . 1 . 1 86 86 GLU CA C 13 52.953 0.000 . 1 . . . . . 86 GLU CA . 53413 1 405 . 1 . 1 86 86 GLU CB C 13 28.806 0.000 . 1 . . . . . 86 GLU CB . 53413 1 406 . 1 . 1 86 86 GLU N N 15 121.688 0.010 . 1 . . . . . 86 GLU N . 53413 1 407 . 1 . 1 87 87 PRO C C 13 175.911 0.000 . 1 . . . . . 87 PRO C . 53413 1 408 . 1 . 1 87 87 PRO CA C 13 61.456 0.036 . 1 . . . . . 87 PRO CA . 53413 1 409 . 1 . 1 87 87 PRO CB C 13 32.703 0.042 . 1 . . . . . 87 PRO CB . 53413 1 410 . 1 . 1 88 88 LYS H H 1 9.416 0.001 . 1 . . . . . 88 LYS H . 53413 1 411 . 1 . 1 88 88 LYS C C 13 175.663 0.000 . 1 . . . . . 88 LYS C . 53413 1 412 . 1 . 1 88 88 LYS CA C 13 55.022 0.005 . 1 . . . . . 88 LYS CA . 53413 1 413 . 1 . 1 88 88 LYS CB C 13 36.731 0.036 . 1 . . . . . 88 LYS CB . 53413 1 414 . 1 . 1 88 88 LYS N N 15 121.889 0.006 . 1 . . . . . 88 LYS N . 53413 1 415 . 1 . 1 89 89 ARG H H 1 8.950 0.002 . 1 . . . . . 89 ARG H . 53413 1 416 . 1 . 1 89 89 ARG C C 13 177.035 0.000 . 1 . . . . . 89 ARG C . 53413 1 417 . 1 . 1 89 89 ARG CA C 13 57.404 0.052 . 1 . . . . . 89 ARG CA . 53413 1 418 . 1 . 1 89 89 ARG CB C 13 30.381 0.078 . 1 . . . . . 89 ARG CB . 53413 1 419 . 1 . 1 89 89 ARG N N 15 123.962 0.022 . 1 . . . . . 89 ARG N . 53413 1 420 . 1 . 1 90 90 ALA H H 1 8.443 0.000 . 1 . . . . . 90 ALA H . 53413 1 421 . 1 . 1 90 90 ALA C C 13 177.498 0.000 . 1 . . . . . 90 ALA C . 53413 1 422 . 1 . 1 90 90 ALA CA C 13 53.812 0.019 . 1 . . . . . 90 ALA CA . 53413 1 423 . 1 . 1 90 90 ALA CB C 13 18.988 0.017 . 1 . . . . . 90 ALA CB . 53413 1 424 . 1 . 1 90 90 ALA N N 15 126.972 0.035 . 1 . . . . . 90 ALA N . 53413 1 425 . 1 . 1 91 91 VAL H H 1 7.961 0.001 . 1 . . . . . 91 VAL H . 53413 1 426 . 1 . 1 91 91 VAL C C 13 175.452 0.000 . 1 . . . . . 91 VAL C . 53413 1 427 . 1 . 1 91 91 VAL CA C 13 61.507 0.126 . 1 . . . . . 91 VAL CA . 53413 1 428 . 1 . 1 91 91 VAL CB C 13 33.432 0.008 . 1 . . . . . 91 VAL CB . 53413 1 429 . 1 . 1 91 91 VAL N N 15 116.680 0.007 . 1 . . . . . 91 VAL N . 53413 1 430 . 1 . 1 92 92 SER H H 1 8.355 0.003 . 1 . . . . . 92 SER H . 53413 1 431 . 1 . 1 92 92 SER C C 13 174.689 0.000 . 1 . . . . . 92 SER C . 53413 1 432 . 1 . 1 92 92 SER CA C 13 58.057 0.059 . 1 . . . . . 92 SER CA . 53413 1 433 . 1 . 1 92 92 SER CB C 13 64.125 0.152 . 1 . . . . . 92 SER CB . 53413 1 434 . 1 . 1 92 92 SER N N 15 119.940 0.012 . 1 . . . . . 92 SER N . 53413 1 435 . 1 . 1 93 93 ARG H H 1 8.468 0.006 . 1 . . . . . 93 ARG H . 53413 1 436 . 1 . 1 93 93 ARG C C 13 176.714 0.000 . 1 . . . . . 93 ARG C . 53413 1 437 . 1 . 1 93 93 ARG CA C 13 56.691 0.028 . 1 . . . . . 93 ARG CA . 53413 1 438 . 1 . 1 93 93 ARG CB C 13 30.825 0.060 . 1 . . . . . 93 ARG CB . 53413 1 439 . 1 . 1 93 93 ARG N N 15 124.129 0.029 . 1 . . . . . 93 ARG N . 53413 1 440 . 1 . 1 94 94 GLU H H 1 8.520 0.002 . 1 . . . . . 94 GLU H . 53413 1 441 . 1 . 1 94 94 GLU C C 13 176.637 0.000 . 1 . . . . . 94 GLU C . 53413 1 442 . 1 . 1 94 94 GLU CA C 13 57.124 0.048 . 1 . . . . . 94 GLU CA . 53413 1 443 . 1 . 1 94 94 GLU CB C 13 30.038 0.052 . 1 . . . . . 94 GLU CB . 53413 1 444 . 1 . 1 94 94 GLU N N 15 122.155 0.006 . 1 . . . . . 94 GLU N . 53413 1 445 . 1 . 1 95 95 ASP H H 1 8.274 0.001 . 1 . . . . . 95 ASP H . 53413 1 446 . 1 . 1 95 95 ASP C C 13 176.823 0.000 . 1 . . . . . 95 ASP C . 53413 1 447 . 1 . 1 95 95 ASP CA C 13 54.844 0.056 . 1 . . . . . 95 ASP CA . 53413 1 448 . 1 . 1 95 95 ASP CB C 13 41.293 0.085 . 1 . . . . . 95 ASP CB . 53413 1 449 . 1 . 1 95 95 ASP N N 15 121.988 0.011 . 1 . . . . . 95 ASP N . 53413 1 450 . 1 . 1 96 96 SER H H 1 8.149 0.003 . 1 . . . . . 96 SER H . 53413 1 451 . 1 . 1 96 96 SER C C 13 174.643 0.000 . 1 . . . . . 96 SER C . 53413 1 452 . 1 . 1 96 96 SER CA C 13 59.160 0.013 . 1 . . . . . 96 SER CA . 53413 1 453 . 1 . 1 96 96 SER CB C 13 63.628 0.048 . 1 . . . . . 96 SER CB . 53413 1 454 . 1 . 1 96 96 SER N N 15 116.608 0.040 . 1 . . . . . 96 SER N . 53413 1 455 . 1 . 1 97 97 GLN H H 1 8.201 0.001 . 1 . . . . . 97 GLN H . 53413 1 456 . 1 . 1 97 97 GLN C C 13 175.769 0.000 . 1 . . . . . 97 GLN C . 53413 1 457 . 1 . 1 97 97 GLN CA C 13 55.756 0.033 . 1 . . . . . 97 GLN CA . 53413 1 458 . 1 . 1 97 97 GLN CB C 13 29.332 0.008 . 1 . . . . . 97 GLN CB . 53413 1 459 . 1 . 1 97 97 GLN N N 15 121.513 0.010 . 1 . . . . . 97 GLN N . 53413 1 460 . 1 . 1 98 98 ARG H H 1 8.071 0.002 . 1 . . . . . 98 ARG H . 53413 1 461 . 1 . 1 98 98 ARG CA C 13 54.355 0.000 . 1 . . . . . 98 ARG CA . 53413 1 462 . 1 . 1 98 98 ARG CB C 13 29.910 0.000 . 1 . . . . . 98 ARG CB . 53413 1 463 . 1 . 1 98 98 ARG N N 15 123.242 0.008 . 1 . . . . . 98 ARG N . 53413 1 464 . 1 . 1 99 99 PRO C C 13 177.721 0.000 . 1 . . . . . 99 PRO C . 53413 1 465 . 1 . 1 99 99 PRO CA C 13 63.618 0.040 . 1 . . . . . 99 PRO CA . 53413 1 466 . 1 . 1 99 99 PRO CB C 13 32.084 0.010 . 1 . . . . . 99 PRO CB . 53413 1 467 . 1 . 1 100 100 GLY H H 1 8.550 0.002 . 1 . . . . . 100 GLY H . 53413 1 468 . 1 . 1 100 100 GLY C C 13 174.318 0.000 . 1 . . . . . 100 GLY C . 53413 1 469 . 1 . 1 100 100 GLY CA C 13 45.442 0.017 . 1 . . . . . 100 GLY CA . 53413 1 470 . 1 . 1 100 100 GLY N N 15 110.297 0.016 . 1 . . . . . 100 GLY N . 53413 1 471 . 1 . 1 101 101 ALA H H 1 8.014 0.000 . 1 . . . . . 101 ALA H . 53413 1 472 . 1 . 1 101 101 ALA CA C 13 53.137 0.000 . 1 . . . . . 101 ALA CA . 53413 1 473 . 1 . 1 101 101 ALA CB C 13 19.259 0.000 . 1 . . . . . 101 ALA CB . 53413 1 474 . 1 . 1 101 101 ALA N N 15 123.974 0.009 . 1 . . . . . 101 ALA N . 53413 1 475 . 1 . 1 102 102 HIS H H 1 8.262 0.000 . 1 . . . . . 102 HIS H . 53413 1 476 . 1 . 1 102 102 HIS C C 13 174.831 0.000 . 1 . . . . . 102 HIS C . 53413 1 477 . 1 . 1 102 102 HIS CA C 13 55.871 0.028 . 1 . . . . . 102 HIS CA . 53413 1 478 . 1 . 1 102 102 HIS CB C 13 29.803 0.050 . 1 . . . . . 102 HIS CB . 53413 1 479 . 1 . 1 102 102 HIS N N 15 122.547 0.000 . 1 . . . . . 102 HIS N . 53413 1 480 . 1 . 1 103 103 LEU H H 1 7.933 0.002 . 1 . . . . . 103 LEU H . 53413 1 481 . 1 . 1 103 103 LEU CA C 13 55.237 0.012 . 1 . . . . . 103 LEU CA . 53413 1 482 . 1 . 1 103 103 LEU CB C 13 42.485 0.035 . 1 . . . . . 103 LEU CB . 53413 1 483 . 1 . 1 103 103 LEU N N 15 123.426 0.015 . 1 . . . . . 103 LEU N . 53413 1 484 . 1 . 1 104 104 THR H H 1 8.148 0.004 . 1 . . . . . 104 THR H . 53413 1 485 . 1 . 1 104 104 THR C C 13 174.200 0.000 . 1 . . . . . 104 THR C . 53413 1 486 . 1 . 1 104 104 THR CA C 13 61.113 0.120 . 1 . . . . . 104 THR CA . 53413 1 487 . 1 . 1 104 104 THR CB C 13 69.451 0.013 . 1 . . . . . 104 THR CB . 53413 1 488 . 1 . 1 104 104 THR N N 15 116.678 0.023 . 1 . . . . . 104 THR N . 53413 1 489 . 1 . 1 105 105 VAL H H 1 8.218 0.000 . 1 . . . . . 105 VAL H . 53413 1 490 . 1 . 1 105 105 VAL C C 13 175.410 0.000 . 1 . . . . . 105 VAL C . 53413 1 491 . 1 . 1 105 105 VAL CA C 13 61.780 0.117 . 1 . . . . . 105 VAL CA . 53413 1 492 . 1 . 1 105 105 VAL CB C 13 34.207 0.115 . 1 . . . . . 105 VAL CB . 53413 1 493 . 1 . 1 105 105 VAL N N 15 122.605 0.006 . 1 . . . . . 105 VAL N . 53413 1 494 . 1 . 1 106 106 LYS H H 1 8.747 0.004 . 1 . . . . . 106 LYS H . 53413 1 495 . 1 . 1 106 106 LYS C C 13 173.429 0.000 . 1 . . . . . 106 LYS C . 53413 1 496 . 1 . 1 106 106 LYS CA C 13 57.529 0.641 . 1 . . . . . 106 LYS CA . 53413 1 497 . 1 . 1 106 106 LYS CB C 13 33.532 0.368 . 1 . . . . . 106 LYS CB . 53413 1 498 . 1 . 1 106 106 LYS N N 15 122.180 0.037 . 1 . . . . . 106 LYS N . 53413 1 499 . 1 . 1 107 107 LYS H H 1 7.168 0.002 . 1 . . . . . 107 LYS H . 53413 1 500 . 1 . 1 107 107 LYS C C 13 175.151 0.000 . 1 . . . . . 107 LYS C . 53413 1 501 . 1 . 1 107 107 LYS CA C 13 54.676 0.209 . 1 . . . . . 107 LYS CA . 53413 1 502 . 1 . 1 107 107 LYS CB C 13 37.586 0.097 . 1 . . . . . 107 LYS CB . 53413 1 503 . 1 . 1 107 107 LYS N N 15 122.788 0.014 . 1 . . . . . 107 LYS N . 53413 1 504 . 1 . 1 108 108 ILE H H 1 8.968 0.002 . 1 . . . . . 108 ILE H . 53413 1 505 . 1 . 1 108 108 ILE C C 13 174.563 0.000 . 1 . . . . . 108 ILE C . 53413 1 506 . 1 . 1 108 108 ILE CA C 13 59.128 0.086 . 1 . . . . . 108 ILE CA . 53413 1 507 . 1 . 1 108 108 ILE CB C 13 40.557 0.104 . 1 . . . . . 108 ILE CB . 53413 1 508 . 1 . 1 108 108 ILE N N 15 116.635 0.022 . 1 . . . . . 108 ILE N . 53413 1 509 . 1 . 1 109 109 PHE H H 1 9.124 0.001 . 1 . . . . . 109 PHE H . 53413 1 510 . 1 . 1 109 109 PHE C C 13 173.486 0.000 . 1 . . . . . 109 PHE C . 53413 1 511 . 1 . 1 109 109 PHE CA C 13 56.818 0.075 . 1 . . . . . 109 PHE CA . 53413 1 512 . 1 . 1 109 109 PHE CB C 13 41.432 0.287 . 1 . . . . . 109 PHE CB . 53413 1 513 . 1 . 1 109 109 PHE N N 15 124.880 0.006 . 1 . . . . . 109 PHE N . 53413 1 514 . 1 . 1 110 110 VAL H H 1 8.337 0.002 . 1 . . . . . 110 VAL H . 53413 1 515 . 1 . 1 110 110 VAL C C 13 174.098 0.000 . 1 . . . . . 110 VAL C . 53413 1 516 . 1 . 1 110 110 VAL CA C 13 60.516 0.050 . 1 . . . . . 110 VAL CA . 53413 1 517 . 1 . 1 110 110 VAL CB C 13 33.479 0.111 . 1 . . . . . 110 VAL CB . 53413 1 518 . 1 . 1 110 110 VAL N N 15 127.464 0.014 . 1 . . . . . 110 VAL N . 53413 1 519 . 1 . 1 111 111 GLY H H 1 9.160 0.006 . 1 . . . . . 111 GLY H . 53413 1 520 . 1 . 1 111 111 GLY C C 13 174.467 0.000 . 1 . . . . . 111 GLY C . 53413 1 521 . 1 . 1 111 111 GLY CA C 13 43.972 0.073 . 1 . . . . . 111 GLY CA . 53413 1 522 . 1 . 1 111 111 GLY N N 15 114.444 0.010 . 1 . . . . . 111 GLY N . 53413 1 523 . 1 . 1 112 112 GLY H H 1 8.305 0.001 . 1 . . . . . 112 GLY H . 53413 1 524 . 1 . 1 112 112 GLY CA C 13 46.564 0.000 . 1 . . . . . 112 GLY CA . 53413 1 525 . 1 . 1 112 112 GLY N N 15 106.614 0.008 . 1 . . . . . 112 GLY N . 53413 1 526 . 1 . 1 117 117 THR C C 13 173.438 0.000 . 1 . . . . . 117 THR C . 53413 1 527 . 1 . 1 117 117 THR CA C 13 62.748 0.075 . 1 . . . . . 117 THR CA . 53413 1 528 . 1 . 1 118 118 GLU H H 1 11.246 0.001 . 1 . . . . . 118 GLU H . 53413 1 529 . 1 . 1 118 118 GLU C C 13 177.609 0.000 . 1 . . . . . 118 GLU C . 53413 1 530 . 1 . 1 118 118 GLU CA C 13 53.968 0.020 . 1 . . . . . 118 GLU CA . 53413 1 531 . 1 . 1 118 118 GLU CB C 13 32.993 0.052 . 1 . . . . . 118 GLU CB . 53413 1 532 . 1 . 1 118 118 GLU N N 15 130.904 0.009 . 1 . . . . . 118 GLU N . 53413 1 533 . 1 . 1 119 119 GLU H H 1 9.395 0.001 . 1 . . . . . 119 GLU H . 53413 1 534 . 1 . 1 119 119 GLU C C 13 179.446 0.000 . 1 . . . . . 119 GLU C . 53413 1 535 . 1 . 1 119 119 GLU CA C 13 61.816 0.013 . 1 . . . . . 119 GLU CA . 53413 1 536 . 1 . 1 119 119 GLU CB C 13 28.969 0.043 . 1 . . . . . 119 GLU CB . 53413 1 537 . 1 . 1 119 119 GLU N N 15 123.230 0.017 . 1 . . . . . 119 GLU N . 53413 1 538 . 1 . 1 120 120 HIS H H 1 8.566 0.007 . 1 . . . . . 120 HIS H . 53413 1 539 . 1 . 1 120 120 HIS C C 13 176.450 0.000 . 1 . . . . . 120 HIS C . 53413 1 540 . 1 . 1 120 120 HIS CA C 13 58.807 0.009 . 1 . . . . . 120 HIS CA . 53413 1 541 . 1 . 1 120 120 HIS CB C 13 27.551 0.016 . 1 . . . . . 120 HIS CB . 53413 1 542 . 1 . 1 120 120 HIS N N 15 114.095 0.014 . 1 . . . . . 120 HIS N . 53413 1 543 . 1 . 1 121 121 HIS H H 1 6.574 0.004 . 1 . . . . . 121 HIS H . 53413 1 544 . 1 . 1 121 121 HIS C C 13 179.694 0.000 . 1 . . . . . 121 HIS C . 53413 1 545 . 1 . 1 121 121 HIS CA C 13 60.466 0.006 . 1 . . . . . 121 HIS CA . 53413 1 546 . 1 . 1 121 121 HIS CB C 13 32.454 0.209 . 1 . . . . . 121 HIS CB . 53413 1 547 . 1 . 1 121 121 HIS N N 15 119.044 0.032 . 1 . . . . . 121 HIS N . 53413 1 548 . 1 . 1 122 122 LEU H H 1 7.133 0.003 . 1 . . . . . 122 LEU H . 53413 1 549 . 1 . 1 122 122 LEU C C 13 177.962 0.000 . 1 . . . . . 122 LEU C . 53413 1 550 . 1 . 1 122 122 LEU CA C 13 57.906 0.007 . 1 . . . . . 122 LEU CA . 53413 1 551 . 1 . 1 122 122 LEU CB C 13 42.603 0.054 . 1 . . . . . 122 LEU CB . 53413 1 552 . 1 . 1 122 122 LEU N N 15 117.913 0.020 . 1 . . . . . 122 LEU N . 53413 1 553 . 1 . 1 123 123 ARG H H 1 8.767 0.001 . 1 . . . . . 123 ARG H . 53413 1 554 . 1 . 1 123 123 ARG C C 13 177.011 0.000 . 1 . . . . . 123 ARG C . 53413 1 555 . 1 . 1 123 123 ARG CA C 13 60.573 0.051 . 1 . . . . . 123 ARG CA . 53413 1 556 . 1 . 1 123 123 ARG CB C 13 30.309 0.058 . 1 . . . . . 123 ARG CB . 53413 1 557 . 1 . 1 123 123 ARG N N 15 122.506 0.021 . 1 . . . . . 123 ARG N . 53413 1 558 . 1 . 1 124 124 ASP H H 1 8.448 0.003 . 1 . . . . . 124 ASP H . 53413 1 559 . 1 . 1 124 124 ASP C C 13 178.054 0.000 . 1 . . . . . 124 ASP C . 53413 1 560 . 1 . 1 124 124 ASP CA C 13 57.106 0.045 . 1 . . . . . 124 ASP CA . 53413 1 561 . 1 . 1 124 124 ASP CB C 13 40.465 0.111 . 1 . . . . . 124 ASP CB . 53413 1 562 . 1 . 1 124 124 ASP N N 15 116.838 0.017 . 1 . . . . . 124 ASP N . 53413 1 563 . 1 . 1 125 125 TYR H H 1 7.232 0.001 . 1 . . . . . 125 TYR H . 53413 1 564 . 1 . 1 125 125 TYR C C 13 177.668 0.000 . 1 . . . . . 125 TYR C . 53413 1 565 . 1 . 1 125 125 TYR CA C 13 61.667 0.069 . 1 . . . . . 125 TYR CA . 53413 1 566 . 1 . 1 125 125 TYR CB C 13 39.845 0.206 . 1 . . . . . 125 TYR CB . 53413 1 567 . 1 . 1 125 125 TYR N N 15 115.951 0.011 . 1 . . . . . 125 TYR N . 53413 1 568 . 1 . 1 126 126 PHE H H 1 8.829 0.002 . 1 . . . . . 126 PHE H . 53413 1 569 . 1 . 1 126 126 PHE C C 13 178.214 0.000 . 1 . . . . . 126 PHE C . 53413 1 570 . 1 . 1 126 126 PHE CA C 13 63.437 0.039 . 1 . . . . . 126 PHE CA . 53413 1 571 . 1 . 1 126 126 PHE CB C 13 38.630 0.044 . 1 . . . . . 126 PHE CB . 53413 1 572 . 1 . 1 126 126 PHE N N 15 114.591 0.012 . 1 . . . . . 126 PHE N . 53413 1 573 . 1 . 1 127 127 GLU H H 1 8.886 0.002 . 1 . . . . . 127 GLU H . 53413 1 574 . 1 . 1 127 127 GLU C C 13 177.924 0.000 . 1 . . . . . 127 GLU C . 53413 1 575 . 1 . 1 127 127 GLU CA C 13 58.519 0.061 . 1 . . . . . 127 GLU CA . 53413 1 576 . 1 . 1 127 127 GLU CB C 13 28.376 0.021 . 1 . . . . . 127 GLU CB . 53413 1 577 . 1 . 1 127 127 GLU N N 15 121.128 0.014 . 1 . . . . . 127 GLU N . 53413 1 578 . 1 . 1 128 128 GLN H H 1 7.126 0.002 . 1 . . . . . 128 GLN H . 53413 1 579 . 1 . 1 128 128 GLN C C 13 176.683 0.000 . 1 . . . . . 128 GLN C . 53413 1 580 . 1 . 1 128 128 GLN CA C 13 57.559 0.156 . 1 . . . . . 128 GLN CA . 53413 1 581 . 1 . 1 128 128 GLN CB C 13 29.006 0.041 . 1 . . . . . 128 GLN CB . 53413 1 582 . 1 . 1 128 128 GLN N N 15 116.628 0.002 . 1 . . . . . 128 GLN N . 53413 1 583 . 1 . 1 129 129 TYR H H 1 7.972 0.003 . 1 . . . . . 129 TYR H . 53413 1 584 . 1 . 1 129 129 TYR C C 13 175.567 0.000 . 1 . . . . . 129 TYR C . 53413 1 585 . 1 . 1 129 129 TYR CA C 13 59.608 0.051 . 1 . . . . . 129 TYR CA . 53413 1 586 . 1 . 1 129 129 TYR CB C 13 39.633 0.146 . 1 . . . . . 129 TYR CB . 53413 1 587 . 1 . 1 129 129 TYR N N 15 117.380 0.003 . 1 . . . . . 129 TYR N . 53413 1 588 . 1 . 1 130 130 GLY H H 1 7.515 0.002 . 1 . . . . . 130 GLY H . 53413 1 589 . 1 . 1 130 130 GLY C C 13 170.480 0.000 . 1 . . . . . 130 GLY C . 53413 1 590 . 1 . 1 130 130 GLY CA C 13 44.872 0.030 . 1 . . . . . 130 GLY CA . 53413 1 591 . 1 . 1 130 130 GLY N N 15 108.085 0.014 . 1 . . . . . 130 GLY N . 53413 1 592 . 1 . 1 131 131 LYS H H 1 8.180 0.001 . 1 . . . . . 131 LYS H . 53413 1 593 . 1 . 1 131 131 LYS C C 13 177.096 0.000 . 1 . . . . . 131 LYS C . 53413 1 594 . 1 . 1 131 131 LYS CA C 13 57.037 0.015 . 1 . . . . . 131 LYS CA . 53413 1 595 . 1 . 1 131 131 LYS CB C 13 33.240 0.079 . 1 . . . . . 131 LYS CB . 53413 1 596 . 1 . 1 131 131 LYS N N 15 118.409 0.012 . 1 . . . . . 131 LYS N . 53413 1 597 . 1 . 1 132 132 ILE H H 1 8.942 0.001 . 1 . . . . . 132 ILE H . 53413 1 598 . 1 . 1 132 132 ILE C C 13 175.882 0.000 . 1 . . . . . 132 ILE C . 53413 1 599 . 1 . 1 132 132 ILE CA C 13 61.651 0.076 . 1 . . . . . 132 ILE CA . 53413 1 600 . 1 . 1 132 132 ILE CB C 13 40.526 0.061 . 1 . . . . . 132 ILE CB . 53413 1 601 . 1 . 1 132 132 ILE N N 15 128.534 0.009 . 1 . . . . . 132 ILE N . 53413 1 602 . 1 . 1 133 133 GLU H H 1 9.180 0.001 . 1 . . . . . 133 GLU H . 53413 1 603 . 1 . 1 133 133 GLU C C 13 176.217 0.000 . 1 . . . . . 133 GLU C . 53413 1 604 . 1 . 1 133 133 GLU CA C 13 57.763 0.114 . 1 . . . . . 133 GLU CA . 53413 1 605 . 1 . 1 133 133 GLU CB C 13 31.702 0.004 . 1 . . . . . 133 GLU CB . 53413 1 606 . 1 . 1 133 133 GLU N N 15 129.086 0.010 . 1 . . . . . 133 GLU N . 53413 1 607 . 1 . 1 134 134 VAL H H 1 7.315 0.001 . 1 . . . . . 134 VAL H . 53413 1 608 . 1 . 1 134 134 VAL C C 13 172.898 0.000 . 1 . . . . . 134 VAL C . 53413 1 609 . 1 . 1 134 134 VAL CA C 13 61.304 0.016 . 1 . . . . . 134 VAL CA . 53413 1 610 . 1 . 1 134 134 VAL CB C 13 35.690 0.035 . 1 . . . . . 134 VAL CB . 53413 1 611 . 1 . 1 134 134 VAL N N 15 115.881 0.003 . 1 . . . . . 134 VAL N . 53413 1 612 . 1 . 1 135 135 ILE H H 1 8.611 0.002 . 1 . . . . . 135 ILE H . 53413 1 613 . 1 . 1 135 135 ILE C C 13 174.021 0.000 . 1 . . . . . 135 ILE C . 53413 1 614 . 1 . 1 135 135 ILE CA C 13 60.962 0.103 . 1 . . . . . 135 ILE CA . 53413 1 615 . 1 . 1 135 135 ILE CB C 13 40.504 0.051 . 1 . . . . . 135 ILE CB . 53413 1 616 . 1 . 1 135 135 ILE N N 15 127.545 0.016 . 1 . . . . . 135 ILE N . 53413 1 617 . 1 . 1 136 136 GLU H H 1 9.057 0.002 . 1 . . . . . 136 GLU H . 53413 1 618 . 1 . 1 136 136 GLU C C 13 174.861 0.000 . 1 . . . . . 136 GLU C . 53413 1 619 . 1 . 1 136 136 GLU CA C 13 54.734 0.021 . 1 . . . . . 136 GLU CA . 53413 1 620 . 1 . 1 136 136 GLU CB C 13 33.215 0.006 . 1 . . . . . 136 GLU CB . 53413 1 621 . 1 . 1 136 136 GLU N N 15 128.874 0.009 . 1 . . . . . 136 GLU N . 53413 1 622 . 1 . 1 137 137 ILE H H 1 8.994 0.001 . 1 . . . . . 137 ILE H . 53413 1 623 . 1 . 1 137 137 ILE C C 13 176.202 0.000 . 1 . . . . . 137 ILE C . 53413 1 624 . 1 . 1 137 137 ILE CA C 13 61.232 0.099 . 1 . . . . . 137 ILE CA . 53413 1 625 . 1 . 1 137 137 ILE CB C 13 37.125 0.148 . 1 . . . . . 137 ILE CB . 53413 1 626 . 1 . 1 137 137 ILE N N 15 127.444 0.023 . 1 . . . . . 137 ILE N . 53413 1 627 . 1 . 1 138 138 MET H H 1 7.677 0.003 . 1 . . . . . 138 MET H . 53413 1 628 . 1 . 1 138 138 MET C C 13 176.823 0.000 . 1 . . . . . 138 MET C . 53413 1 629 . 1 . 1 138 138 MET CA C 13 55.158 0.039 . 1 . . . . . 138 MET CA . 53413 1 630 . 1 . 1 138 138 MET CB C 13 30.630 0.032 . 1 . . . . . 138 MET CB . 53413 1 631 . 1 . 1 138 138 MET N N 15 126.799 0.038 . 1 . . . . . 138 MET N . 53413 1 632 . 1 . 1 139 139 THR H H 1 8.607 0.002 . 1 . . . . . 139 THR H . 53413 1 633 . 1 . 1 139 139 THR C C 13 173.668 0.000 . 1 . . . . . 139 THR C . 53413 1 634 . 1 . 1 139 139 THR CA C 13 60.337 0.034 . 1 . . . . . 139 THR CA . 53413 1 635 . 1 . 1 139 139 THR CB C 13 72.091 0.049 . 1 . . . . . 139 THR CB . 53413 1 636 . 1 . 1 139 139 THR N N 15 117.381 0.031 . 1 . . . . . 139 THR N . 53413 1 637 . 1 . 1 140 140 ASP H H 1 8.869 0.001 . 1 . . . . . 140 ASP H . 53413 1 638 . 1 . 1 140 140 ASP C C 13 176.839 0.000 . 1 . . . . . 140 ASP C . 53413 1 639 . 1 . 1 140 140 ASP CA C 13 53.875 0.029 . 1 . . . . . 140 ASP CA . 53413 1 640 . 1 . 1 140 140 ASP CB C 13 42.272 0.071 . 1 . . . . . 140 ASP CB . 53413 1 641 . 1 . 1 140 140 ASP N N 15 124.646 0.007 . 1 . . . . . 140 ASP N . 53413 1 642 . 1 . 1 141 141 ARG H H 1 8.956 0.002 . 1 . . . . . 141 ARG H . 53413 1 643 . 1 . 1 141 141 ARG C C 13 177.888 0.000 . 1 . . . . . 141 ARG C . 53413 1 644 . 1 . 1 141 141 ARG CA C 13 58.318 0.049 . 1 . . . . . 141 ARG CA . 53413 1 645 . 1 . 1 141 141 ARG CB C 13 29.932 0.077 . 1 . . . . . 141 ARG CB . 53413 1 646 . 1 . 1 141 141 ARG N N 15 128.111 0.031 . 1 . . . . . 141 ARG N . 53413 1 647 . 1 . 1 142 142 GLY H H 1 8.667 0.001 . 1 . . . . . 142 GLY H . 53413 1 648 . 1 . 1 142 142 GLY C C 13 174.914 0.000 . 1 . . . . . 142 GLY C . 53413 1 649 . 1 . 1 142 142 GLY CA C 13 46.565 0.046 . 1 . . . . . 142 GLY CA . 53413 1 650 . 1 . 1 142 142 GLY N N 15 108.639 0.010 . 1 . . . . . 142 GLY N . 53413 1 651 . 1 . 1 143 143 SER H H 1 8.088 0.010 . 1 . . . . . 143 SER H . 53413 1 652 . 1 . 1 143 143 SER C C 13 176.135 0.000 . 1 . . . . . 143 SER C . 53413 1 653 . 1 . 1 143 143 SER CA C 13 58.445 0.036 . 1 . . . . . 143 SER CA . 53413 1 654 . 1 . 1 143 143 SER CB C 13 65.504 0.030 . 1 . . . . . 143 SER CB . 53413 1 655 . 1 . 1 143 143 SER N N 15 115.010 0.091 . 1 . . . . . 143 SER N . 53413 1 656 . 1 . 1 144 144 GLY H H 1 8.385 0.000 . 1 . . . . . 144 GLY H . 53413 1 657 . 1 . 1 144 144 GLY C C 13 173.966 0.000 . 1 . . . . . 144 GLY C . 53413 1 658 . 1 . 1 144 144 GLY CA C 13 45.736 0.044 . 1 . . . . . 144 GLY CA . 53413 1 659 . 1 . 1 144 144 GLY N N 15 113.142 0.005 . 1 . . . . . 144 GLY N . 53413 1 660 . 1 . 1 145 145 LYS H H 1 7.822 0.001 . 1 . . . . . 145 LYS H . 53413 1 661 . 1 . 1 145 145 LYS C C 13 176.954 0.000 . 1 . . . . . 145 LYS C . 53413 1 662 . 1 . 1 145 145 LYS CA C 13 56.347 0.021 . 1 . . . . . 145 LYS CA . 53413 1 663 . 1 . 1 145 145 LYS CB C 13 33.504 0.064 . 1 . . . . . 145 LYS CB . 53413 1 664 . 1 . 1 145 145 LYS N N 15 120.866 0.006 . 1 . . . . . 145 LYS N . 53413 1 665 . 1 . 1 146 146 LYS H H 1 8.988 0.001 . 1 . . . . . 146 LYS H . 53413 1 666 . 1 . 1 146 146 LYS C C 13 177.462 0.000 . 1 . . . . . 146 LYS C . 53413 1 667 . 1 . 1 146 146 LYS CA C 13 57.357 0.088 . 1 . . . . . 146 LYS CA . 53413 1 668 . 1 . 1 146 146 LYS CB C 13 32.490 0.304 . 1 . . . . . 146 LYS CB . 53413 1 669 . 1 . 1 146 146 LYS N N 15 124.658 0.017 . 1 . . . . . 146 LYS N . 53413 1 670 . 1 . 1 147 147 ARG H H 1 8.129 0.003 . 1 . . . . . 147 ARG H . 53413 1 671 . 1 . 1 147 147 ARG C C 13 176.848 0.000 . 1 . . . . . 147 ARG C . 53413 1 672 . 1 . 1 147 147 ARG CA C 13 56.313 0.447 . 1 . . . . . 147 ARG CA . 53413 1 673 . 1 . 1 147 147 ARG CB C 13 32.531 0.288 . 1 . . . . . 147 ARG CB . 53413 1 674 . 1 . 1 147 147 ARG N N 15 120.439 0.020 . 1 . . . . . 147 ARG N . 53413 1 675 . 1 . 1 148 148 GLY H H 1 8.446 0.002 . 1 . . . . . 148 GLY H . 53413 1 676 . 1 . 1 148 148 GLY C C 13 173.465 0.000 . 1 . . . . . 148 GLY C . 53413 1 677 . 1 . 1 148 148 GLY CA C 13 45.473 0.051 . 1 . . . . . 148 GLY CA . 53413 1 678 . 1 . 1 148 148 GLY N N 15 111.302 0.010 . 1 . . . . . 148 GLY N . 53413 1 679 . 1 . 1 149 149 PHE H H 1 7.284 0.003 . 1 . . . . . 149 PHE H . 53413 1 680 . 1 . 1 149 149 PHE C C 13 172.410 0.000 . 1 . . . . . 149 PHE C . 53413 1 681 . 1 . 1 149 149 PHE CA C 13 55.458 0.020 . 1 . . . . . 149 PHE CA . 53413 1 682 . 1 . 1 149 149 PHE N N 15 114.665 0.021 . 1 . . . . . 149 PHE N . 53413 1 683 . 1 . 1 150 150 ALA H H 1 8.785 0.003 . 1 . . . . . 150 ALA H . 53413 1 684 . 1 . 1 150 150 ALA C C 13 174.080 0.000 . 1 . . . . . 150 ALA C . 53413 1 685 . 1 . 1 150 150 ALA CA C 13 49.837 0.025 . 1 . . . . . 150 ALA CA . 53413 1 686 . 1 . 1 150 150 ALA CB C 13 25.324 0.009 . 1 . . . . . 150 ALA CB . 53413 1 687 . 1 . 1 150 150 ALA N N 15 121.939 0.011 . 1 . . . . . 150 ALA N . 53413 1 688 . 1 . 1 151 151 PHE H H 1 8.684 0.001 . 1 . . . . . 151 PHE H . 53413 1 689 . 1 . 1 151 151 PHE C C 13 176.294 0.000 . 1 . . . . . 151 PHE C . 53413 1 690 . 1 . 1 151 151 PHE CA C 13 56.167 0.004 . 1 . . . . . 151 PHE CA . 53413 1 691 . 1 . 1 151 151 PHE CB C 13 43.197 0.089 . 1 . . . . . 151 PHE CB . 53413 1 692 . 1 . 1 151 151 PHE N N 15 114.913 0.013 . 1 . . . . . 151 PHE N . 53413 1 693 . 1 . 1 152 152 VAL H H 1 8.606 0.002 . 1 . . . . . 152 VAL H . 53413 1 694 . 1 . 1 152 152 VAL C C 13 173.946 0.000 . 1 . . . . . 152 VAL C . 53413 1 695 . 1 . 1 152 152 VAL CA C 13 61.477 0.021 . 1 . . . . . 152 VAL CA . 53413 1 696 . 1 . 1 152 152 VAL CB C 13 33.994 0.017 . 1 . . . . . 152 VAL CB . 53413 1 697 . 1 . 1 152 152 VAL N N 15 123.199 0.012 . 1 . . . . . 152 VAL N . 53413 1 698 . 1 . 1 153 153 THR H H 1 8.775 0.003 . 1 . . . . . 153 THR H . 53413 1 699 . 1 . 1 153 153 THR C C 13 174.101 0.000 . 1 . . . . . 153 THR C . 53413 1 700 . 1 . 1 153 153 THR CA C 13 61.929 0.070 . 1 . . . . . 153 THR CA . 53413 1 701 . 1 . 1 153 153 THR CB C 13 69.568 0.053 . 1 . . . . . 153 THR CB . 53413 1 702 . 1 . 1 153 153 THR N N 15 123.826 0.009 . 1 . . . . . 153 THR N . 53413 1 703 . 1 . 1 154 154 PHE H H 1 9.413 0.004 . 1 . . . . . 154 PHE H . 53413 1 704 . 1 . 1 154 154 PHE C C 13 174.732 0.000 . 1 . . . . . 154 PHE C . 53413 1 705 . 1 . 1 154 154 PHE CA C 13 58.117 0.030 . 1 . . . . . 154 PHE CA . 53413 1 706 . 1 . 1 154 154 PHE CB C 13 41.757 0.050 . 1 . . . . . 154 PHE CB . 53413 1 707 . 1 . 1 154 154 PHE N N 15 128.456 0.019 . 1 . . . . . 154 PHE N . 53413 1 708 . 1 . 1 155 155 ASP H H 1 8.226 0.001 . 1 . . . . . 155 ASP H . 53413 1 709 . 1 . 1 155 155 ASP C C 13 175.691 0.000 . 1 . . . . . 155 ASP C . 53413 1 710 . 1 . 1 155 155 ASP CA C 13 56.096 0.041 . 1 . . . . . 155 ASP CA . 53413 1 711 . 1 . 1 155 155 ASP CB C 13 42.474 0.127 . 1 . . . . . 155 ASP CB . 53413 1 712 . 1 . 1 155 155 ASP N N 15 118.942 0.011 . 1 . . . . . 155 ASP N . 53413 1 713 . 1 . 1 156 156 ASP H H 1 8.348 0.001 . 1 . . . . . 156 ASP H . 53413 1 714 . 1 . 1 156 156 ASP CA C 13 52.696 0.000 . 1 . . . . . 156 ASP CA . 53413 1 715 . 1 . 1 156 156 ASP CB C 13 44.629 0.000 . 1 . . . . . 156 ASP CB . 53413 1 716 . 1 . 1 156 156 ASP N N 15 117.659 0.004 . 1 . . . . . 156 ASP N . 53413 1 717 . 1 . 1 158 158 ASP C C 13 178.212 0.000 . 1 . . . . . 158 ASP C . 53413 1 718 . 1 . 1 158 158 ASP CA C 13 57.071 0.097 . 1 . . . . . 158 ASP CA . 53413 1 719 . 1 . 1 158 158 ASP CB C 13 40.677 0.038 . 1 . . . . . 158 ASP CB . 53413 1 720 . 1 . 1 159 159 SER H H 1 7.455 0.004 . 1 . . . . . 159 SER H . 53413 1 721 . 1 . 1 159 159 SER C C 13 174.746 0.000 . 1 . . . . . 159 SER C . 53413 1 722 . 1 . 1 159 159 SER CA C 13 61.905 0.011 . 1 . . . . . 159 SER CA . 53413 1 723 . 1 . 1 159 159 SER CB C 13 63.105 0.000 . 1 . . . . . 159 SER CB . 53413 1 724 . 1 . 1 159 159 SER N N 15 114.370 0.015 . 1 . . . . . 159 SER N . 53413 1 725 . 1 . 1 160 160 VAL H H 1 6.450 0.001 . 1 . . . . . 160 VAL H . 53413 1 726 . 1 . 1 160 160 VAL C C 13 177.211 0.000 . 1 . . . . . 160 VAL C . 53413 1 727 . 1 . 1 160 160 VAL CA C 13 66.515 0.093 . 1 . . . . . 160 VAL CA . 53413 1 728 . 1 . 1 160 160 VAL CB C 13 31.733 0.036 . 1 . . . . . 160 VAL CB . 53413 1 729 . 1 . 1 160 160 VAL N N 15 119.175 0.014 . 1 . . . . . 160 VAL N . 53413 1 730 . 1 . 1 161 161 ASP H H 1 7.741 0.005 . 1 . . . . . 161 ASP H . 53413 1 731 . 1 . 1 161 161 ASP C C 13 178.291 0.000 . 1 . . . . . 161 ASP C . 53413 1 732 . 1 . 1 161 161 ASP CA C 13 57.728 0.038 . 1 . . . . . 161 ASP CA . 53413 1 733 . 1 . 1 161 161 ASP CB C 13 40.140 0.020 . 1 . . . . . 161 ASP CB . 53413 1 734 . 1 . 1 161 161 ASP N N 15 119.667 0.013 . 1 . . . . . 161 ASP N . 53413 1 735 . 1 . 1 162 162 LYS H H 1 7.468 0.007 . 1 . . . . . 162 LYS H . 53413 1 736 . 1 . 1 162 162 LYS C C 13 178.174 0.000 . 1 . . . . . 162 LYS C . 53413 1 737 . 1 . 1 162 162 LYS CA C 13 58.684 0.070 . 1 . . . . . 162 LYS CA . 53413 1 738 . 1 . 1 162 162 LYS CB C 13 33.455 0.118 . 1 . . . . . 162 LYS CB . 53413 1 739 . 1 . 1 162 162 LYS N N 15 117.387 0.006 . 1 . . . . . 162 LYS N . 53413 1 740 . 1 . 1 163 163 ILE H H 1 7.397 0.006 . 1 . . . . . 163 ILE H . 53413 1 741 . 1 . 1 163 163 ILE CA C 13 65.287 0.000 . 1 . . . . . 163 ILE CA . 53413 1 742 . 1 . 1 163 163 ILE CB C 13 39.079 0.000 . 1 . . . . . 163 ILE CB . 53413 1 743 . 1 . 1 163 163 ILE N N 15 120.346 0.014 . 1 . . . . . 163 ILE N . 53413 1 744 . 1 . 1 164 164 VAL H H 1 7.827 0.000 . 1 . . . . . 164 VAL H . 53413 1 745 . 1 . 1 164 164 VAL C C 13 176.592 0.000 . 1 . . . . . 164 VAL C . 53413 1 746 . 1 . 1 164 164 VAL CA C 13 64.090 0.049 . 1 . . . . . 164 VAL CA . 53413 1 747 . 1 . 1 164 164 VAL CB C 13 30.861 0.059 . 1 . . . . . 164 VAL CB . 53413 1 748 . 1 . 1 164 164 VAL N N 15 110.033 0.000 . 1 . . . . . 164 VAL N . 53413 1 749 . 1 . 1 165 165 ILE H H 1 6.966 0.002 . 1 . . . . . 165 ILE H . 53413 1 750 . 1 . 1 165 165 ILE C C 13 175.938 0.000 . 1 . . . . . 165 ILE C . 53413 1 751 . 1 . 1 165 165 ILE CA C 13 63.407 0.054 . 1 . . . . . 165 ILE CA . 53413 1 752 . 1 . 1 165 165 ILE CB C 13 38.101 0.026 . 1 . . . . . 165 ILE CB . 53413 1 753 . 1 . 1 165 165 ILE N N 15 119.472 0.020 . 1 . . . . . 165 ILE N . 53413 1 754 . 1 . 1 166 166 GLN H H 1 7.533 0.002 . 1 . . . . . 166 GLN H . 53413 1 755 . 1 . 1 166 166 GLN C C 13 174.689 0.000 . 1 . . . . . 166 GLN C . 53413 1 756 . 1 . 1 166 166 GLN CA C 13 54.755 0.005 . 1 . . . . . 166 GLN CA . 53413 1 757 . 1 . 1 166 166 GLN CB C 13 30.125 0.056 . 1 . . . . . 166 GLN CB . 53413 1 758 . 1 . 1 166 166 GLN N N 15 121.349 0.009 . 1 . . . . . 166 GLN N . 53413 1 759 . 1 . 1 167 167 LYS H H 1 8.140 0.004 . 1 . . . . . 167 LYS H . 53413 1 760 . 1 . 1 167 167 LYS C C 13 175.452 0.000 . 1 . . . . . 167 LYS C . 53413 1 761 . 1 . 1 167 167 LYS CA C 13 59.754 0.034 . 1 . . . . . 167 LYS CA . 53413 1 762 . 1 . 1 167 167 LYS CB C 13 33.207 0.171 . 1 . . . . . 167 LYS CB . 53413 1 763 . 1 . 1 167 167 LYS N N 15 123.954 0.013 . 1 . . . . . 167 LYS N . 53413 1 764 . 1 . 1 168 168 TYR H H 1 7.771 0.002 . 1 . . . . . 168 TYR H . 53413 1 765 . 1 . 1 168 168 TYR C C 13 175.758 0.000 . 1 . . . . . 168 TYR C . 53413 1 766 . 1 . 1 168 168 TYR CA C 13 56.485 0.023 . 1 . . . . . 168 TYR CA . 53413 1 767 . 1 . 1 168 168 TYR CB C 13 39.977 0.042 . 1 . . . . . 168 TYR CB . 53413 1 768 . 1 . 1 168 168 TYR N N 15 114.690 0.024 . 1 . . . . . 168 TYR N . 53413 1 769 . 1 . 1 169 169 HIS H H 1 9.106 0.001 . 1 . . . . . 169 HIS H . 53413 1 770 . 1 . 1 169 169 HIS C C 13 174.255 0.000 . 1 . . . . . 169 HIS C . 53413 1 771 . 1 . 1 169 169 HIS CA C 13 55.352 0.102 . 1 . . . . . 169 HIS CA . 53413 1 772 . 1 . 1 169 169 HIS CB C 13 34.965 0.045 . 1 . . . . . 169 HIS CB . 53413 1 773 . 1 . 1 169 169 HIS N N 15 123.422 0.010 . 1 . . . . . 169 HIS N . 53413 1 774 . 1 . 1 170 170 THR H H 1 8.882 0.001 . 1 . . . . . 170 THR H . 53413 1 775 . 1 . 1 170 170 THR C C 13 173.099 0.000 . 1 . . . . . 170 THR C . 53413 1 776 . 1 . 1 170 170 THR CA C 13 61.713 0.056 . 1 . . . . . 170 THR CA . 53413 1 777 . 1 . 1 170 170 THR CB C 13 68.701 0.113 . 1 . . . . . 170 THR CB . 53413 1 778 . 1 . 1 170 170 THR N N 15 122.815 0.012 . 1 . . . . . 170 THR N . 53413 1 779 . 1 . 1 171 171 VAL H H 1 8.273 0.002 . 1 . . . . . 171 VAL H . 53413 1 780 . 1 . 1 171 171 VAL C C 13 176.006 0.000 . 1 . . . . . 171 VAL C . 53413 1 781 . 1 . 1 171 171 VAL CA C 13 60.940 0.102 . 1 . . . . . 171 VAL CA . 53413 1 782 . 1 . 1 171 171 VAL CB C 13 34.298 0.039 . 1 . . . . . 171 VAL CB . 53413 1 783 . 1 . 1 171 171 VAL N N 15 126.418 0.030 . 1 . . . . . 171 VAL N . 53413 1 784 . 1 . 1 172 172 ASN H H 1 9.485 0.005 . 1 . . . . . 172 ASN H . 53413 1 785 . 1 . 1 172 172 ASN C C 13 174.238 0.000 . 1 . . . . . 172 ASN C . 53413 1 786 . 1 . 1 172 172 ASN CA C 13 53.184 0.029 . 1 . . . . . 172 ASN CA . 53413 1 787 . 1 . 1 172 172 ASN CB C 13 37.560 0.048 . 1 . . . . . 172 ASN CB . 53413 1 788 . 1 . 1 172 172 ASN N N 15 127.361 0.035 . 1 . . . . . 172 ASN N . 53413 1 789 . 1 . 1 173 173 GLY H H 1 8.261 0.001 . 1 . . . . . 173 GLY H . 53413 1 790 . 1 . 1 173 173 GLY C C 13 173.349 0.000 . 1 . . . . . 173 GLY C . 53413 1 791 . 1 . 1 173 173 GLY CA C 13 45.290 0.095 . 1 . . . . . 173 GLY CA . 53413 1 792 . 1 . 1 173 173 GLY N N 15 101.360 0.018 . 1 . . . . . 173 GLY N . 53413 1 793 . 1 . 1 174 174 HIS H H 1 7.716 0.001 . 1 . . . . . 174 HIS H . 53413 1 794 . 1 . 1 174 174 HIS C C 13 173.152 0.000 . 1 . . . . . 174 HIS C . 53413 1 795 . 1 . 1 174 174 HIS CA C 13 53.336 0.043 . 1 . . . . . 174 HIS CA . 53413 1 796 . 1 . 1 174 174 HIS CB C 13 30.686 0.000 . 1 . . . . . 174 HIS CB . 53413 1 797 . 1 . 1 174 174 HIS N N 15 119.396 0.008 . 1 . . . . . 174 HIS N . 53413 1 798 . 1 . 1 175 175 ASN H H 1 8.917 0.001 . 1 . . . . . 175 ASN H . 53413 1 799 . 1 . 1 175 175 ASN C C 13 174.939 0.000 . 1 . . . . . 175 ASN C . 53413 1 800 . 1 . 1 175 175 ASN CA C 13 53.723 0.078 . 1 . . . . . 175 ASN CA . 53413 1 801 . 1 . 1 175 175 ASN N N 15 123.442 0.015 . 1 . . . . . 175 ASN N . 53413 1 802 . 1 . 1 176 176 CYS H H 1 9.115 0.002 . 1 . . . . . 176 CYS H . 53413 1 803 . 1 . 1 176 176 CYS CA C 13 59.544 0.000 . 1 . . . . . 176 CYS CA . 53413 1 804 . 1 . 1 176 176 CYS N N 15 127.640 0.006 . 1 . . . . . 176 CYS N . 53413 1 805 . 1 . 1 177 177 GLU C C 13 175.323 0.000 . 1 . . . . . 177 GLU C . 53413 1 806 . 1 . 1 177 177 GLU CA C 13 58.328 4.158 . 1 . . . . . 177 GLU CA . 53413 1 807 . 1 . 1 177 177 GLU CB C 13 32.219 0.024 . 1 . . . . . 177 GLU CB . 53413 1 808 . 1 . 1 178 178 VAL H H 1 8.708 0.002 . 1 . . . . . 178 VAL H . 53413 1 809 . 1 . 1 178 178 VAL C C 13 175.735 0.000 . 1 . . . . . 178 VAL C . 53413 1 810 . 1 . 1 178 178 VAL CA C 13 59.712 0.025 . 1 . . . . . 178 VAL CA . 53413 1 811 . 1 . 1 178 178 VAL CB C 13 34.625 0.079 . 1 . . . . . 178 VAL CB . 53413 1 812 . 1 . 1 178 178 VAL N N 15 123.394 0.028 . 1 . . . . . 178 VAL N . 53413 1 813 . 1 . 1 179 179 ARG H H 1 8.711 0.002 . 1 . . . . . 179 ARG H . 53413 1 814 . 1 . 1 179 179 ARG C C 13 175.688 0.000 . 1 . . . . . 179 ARG C . 53413 1 815 . 1 . 1 179 179 ARG CA C 13 54.212 0.095 . 1 . . . . . 179 ARG CA . 53413 1 816 . 1 . 1 179 179 ARG CB C 13 34.080 0.203 . 1 . . . . . 179 ARG CB . 53413 1 817 . 1 . 1 179 179 ARG N N 15 120.518 0.022 . 1 . . . . . 179 ARG N . 53413 1 818 . 1 . 1 180 180 LYS H H 1 9.018 0.002 . 1 . . . . . 180 LYS H . 53413 1 819 . 1 . 1 180 180 LYS C C 13 175.983 0.000 . 1 . . . . . 180 LYS C . 53413 1 820 . 1 . 1 180 180 LYS CA C 13 59.105 0.027 . 1 . . . . . 180 LYS CA . 53413 1 821 . 1 . 1 180 180 LYS CB C 13 33.433 0.258 . 1 . . . . . 180 LYS CB . 53413 1 822 . 1 . 1 180 180 LYS N N 15 121.773 0.018 . 1 . . . . . 180 LYS N . 53413 1 823 . 1 . 1 181 181 ALA H H 1 8.411 0.002 . 1 . . . . . 181 ALA H . 53413 1 824 . 1 . 1 181 181 ALA C C 13 175.444 0.000 . 1 . . . . . 181 ALA C . 53413 1 825 . 1 . 1 181 181 ALA CA C 13 51.453 0.031 . 1 . . . . . 181 ALA CA . 53413 1 826 . 1 . 1 181 181 ALA CB C 13 19.344 0.020 . 1 . . . . . 181 ALA CB . 53413 1 827 . 1 . 1 181 181 ALA N N 15 127.435 0.024 . 1 . . . . . 181 ALA N . 53413 1 828 . 1 . 1 182 182 LEU H H 1 8.096 0.002 . 1 . . . . . 182 LEU H . 53413 1 829 . 1 . 1 182 182 LEU C C 13 177.366 0.000 . 1 . . . . . 182 LEU C . 53413 1 830 . 1 . 1 182 182 LEU CA C 13 54.831 0.051 . 1 . . . . . 182 LEU CA . 53413 1 831 . 1 . 1 182 182 LEU CB C 13 43.179 0.010 . 1 . . . . . 182 LEU CB . 53413 1 832 . 1 . 1 182 182 LEU N N 15 123.249 0.020 . 1 . . . . . 182 LEU N . 53413 1 833 . 1 . 1 183 183 SER H H 1 8.588 0.000 . 1 . . . . . 183 SER H . 53413 1 834 . 1 . 1 183 183 SER C C 13 174.664 0.000 . 1 . . . . . 183 SER C . 53413 1 835 . 1 . 1 183 183 SER CA C 13 57.951 0.032 . 1 . . . . . 183 SER CA . 53413 1 836 . 1 . 1 183 183 SER CB C 13 64.395 0.046 . 1 . . . . . 183 SER CB . 53413 1 837 . 1 . 1 183 183 SER N N 15 118.038 0.010 . 1 . . . . . 183 SER N . 53413 1 838 . 1 . 1 184 184 LYS H H 1 8.545 0.004 . 1 . . . . . 184 LYS H . 53413 1 839 . 1 . 1 184 184 LYS C C 13 177.520 0.000 . 1 . . . . . 184 LYS C . 53413 1 840 . 1 . 1 184 184 LYS CA C 13 57.890 0.028 . 1 . . . . . 184 LYS CA . 53413 1 841 . 1 . 1 184 184 LYS CB C 13 32.640 0.054 . 1 . . . . . 184 LYS CB . 53413 1 842 . 1 . 1 184 184 LYS N N 15 123.201 0.028 . 1 . . . . . 184 LYS N . 53413 1 843 . 1 . 1 185 185 GLN H H 1 8.367 0.001 . 1 . . . . . 185 GLN H . 53413 1 844 . 1 . 1 185 185 GLN C C 13 176.894 0.000 . 1 . . . . . 185 GLN C . 53413 1 845 . 1 . 1 185 185 GLN CA C 13 57.169 0.093 . 1 . . . . . 185 GLN CA . 53413 1 846 . 1 . 1 185 185 GLN CB C 13 29.106 0.061 . 1 . . . . . 185 GLN CB . 53413 1 847 . 1 . 1 185 185 GLN N N 15 120.843 0.012 . 1 . . . . . 185 GLN N . 53413 1 848 . 1 . 1 186 186 GLU H H 1 8.173 0.002 . 1 . . . . . 186 GLU H . 53413 1 849 . 1 . 1 186 186 GLU C C 13 177.287 0.000 . 1 . . . . . 186 GLU C . 53413 1 850 . 1 . 1 186 186 GLU CA C 13 57.317 0.035 . 1 . . . . . 186 GLU CA . 53413 1 851 . 1 . 1 186 186 GLU CB C 13 30.262 0.065 . 1 . . . . . 186 GLU CB . 53413 1 852 . 1 . 1 186 186 GLU N N 15 122.303 0.030 . 1 . . . . . 186 GLU N . 53413 1 853 . 1 . 1 187 187 MET H H 1 8.245 0.001 . 1 . . . . . 187 MET H . 53413 1 854 . 1 . 1 187 187 MET C C 13 176.591 0.000 . 1 . . . . . 187 MET C . 53413 1 855 . 1 . 1 187 187 MET CA C 13 56.272 0.134 . 1 . . . . . 187 MET CA . 53413 1 856 . 1 . 1 187 187 MET CB C 13 32.897 0.025 . 1 . . . . . 187 MET CB . 53413 1 857 . 1 . 1 187 187 MET N N 15 120.828 0.007 . 1 . . . . . 187 MET N . 53413 1 858 . 1 . 1 188 188 ALA H H 1 8.095 0.003 . 1 . . . . . 188 ALA H . 53413 1 859 . 1 . 1 188 188 ALA C C 13 178.136 0.000 . 1 . . . . . 188 ALA C . 53413 1 860 . 1 . 1 188 188 ALA CA C 13 53.141 0.061 . 1 . . . . . 188 ALA CA . 53413 1 861 . 1 . 1 188 188 ALA CB C 13 19.218 0.036 . 1 . . . . . 188 ALA CB . 53413 1 862 . 1 . 1 188 188 ALA N N 15 124.794 0.011 . 1 . . . . . 188 ALA N . 53413 1 863 . 1 . 1 189 189 SER H H 1 8.196 0.001 . 1 . . . . . 189 SER H . 53413 1 864 . 1 . 1 189 189 SER C C 13 174.841 0.000 . 1 . . . . . 189 SER C . 53413 1 865 . 1 . 1 189 189 SER CA C 13 58.669 0.069 . 1 . . . . . 189 SER CA . 53413 1 866 . 1 . 1 189 189 SER CB C 13 63.639 0.017 . 1 . . . . . 189 SER CB . 53413 1 867 . 1 . 1 189 189 SER N N 15 115.096 0.008 . 1 . . . . . 189 SER N . 53413 1 868 . 1 . 1 190 190 ALA H H 1 8.229 0.001 . 1 . . . . . 190 ALA H . 53413 1 869 . 1 . 1 190 190 ALA C C 13 178.231 0.000 . 1 . . . . . 190 ALA C . 53413 1 870 . 1 . 1 190 190 ALA CA C 13 53.146 0.051 . 1 . . . . . 190 ALA CA . 53413 1 871 . 1 . 1 190 190 ALA CB C 13 19.184 0.016 . 1 . . . . . 190 ALA CB . 53413 1 872 . 1 . 1 190 190 ALA N N 15 126.339 0.006 . 1 . . . . . 190 ALA N . 53413 1 873 . 1 . 1 191 191 SER H H 1 8.114 0.004 . 1 . . . . . 191 SER H . 53413 1 874 . 1 . 1 191 191 SER C C 13 175.008 0.000 . 1 . . . . . 191 SER C . 53413 1 875 . 1 . 1 191 191 SER CA C 13 58.701 0.149 . 1 . . . . . 191 SER CA . 53413 1 876 . 1 . 1 191 191 SER CB C 13 63.620 0.010 . 1 . . . . . 191 SER CB . 53413 1 877 . 1 . 1 191 191 SER N N 15 115.243 0.020 . 1 . . . . . 191 SER N . 53413 1 878 . 1 . 1 192 192 SER H H 1 8.248 0.047 . 1 . . . . . 192 SER H . 53413 1 879 . 1 . 1 192 192 SER CA C 13 58.804 0.000 . 1 . . . . . 192 SER CA . 53413 1 880 . 1 . 1 192 192 SER CB C 13 63.621 0.010 . 1 . . . . . 192 SER CB . 53413 1 881 . 1 . 1 192 192 SER N N 15 117.915 0.937 . 1 . . . . . 192 SER N . 53413 1 882 . 1 . 1 196 196 GLY C C 13 173.107 0.000 . 1 . . . . . 196 GLY C . 53413 1 883 . 1 . 1 196 196 GLY CA C 13 43.544 0.013 . 1 . . . . . 196 GLY CA . 53413 1 884 . 1 . 1 197 197 ARG H H 1 8.280 0.005 . 1 . . . . . 197 ARG H . 53413 1 885 . 1 . 1 197 197 ARG CA C 13 57.988 0.000 . 1 . . . . . 197 ARG CA . 53413 1 886 . 1 . 1 197 197 ARG CB C 13 31.143 0.000 . 1 . . . . . 197 ARG CB . 53413 1 887 . 1 . 1 197 197 ARG N N 15 126.738 0.050 . 1 . . . . . 197 ARG N . 53413 1 stop_ save_