data_50527 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50527 _Entry.Title ; Backbone chemical shift assignments for the C-terminal domain of wild type human prion protein (residues 125-230) at 16deg C, pH 7. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-22 _Entry.Accession_date 2020-10-22 _Entry.Last_release_date 2020-10-22 _Entry.Original_release_date 2020-10-22 _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 1 _Entry.Generated_software_label $software_1 _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 Maximo Sanz-Hernandez . . . 0000-0001-8522-8730 50527 2 Alfonso 'De Simone' . . . 0000-0001-8789-9546 50527 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'De Simone lab; Imperial College London' . 50527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 50527 '15N chemical shifts' 95 50527 '1H chemical shifts' 95 50527 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-04-19 2020-10-22 update BMRB 'update entry citation' 50527 1 . . 2021-02-17 2020-10-22 original author 'original release' 50527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17756 'human prion protein (residues 121-230) in its oxidized state' 50527 BMRB 18426 'human prion protein' 50527 BMRB 27264 'Human prion protein (91-231): wild type (scilicet HuPrPM129)' 50527 BMRB 4379 'human prion protein fragment 121-230' 50527 BMRB 4402 'human prion protein hPrP(23-230)' 50527 BMRB 4434 'human prion protein' 50527 BMRB 50528 'C-terminal domain of T183A human prion protein (residues 125-230) at 16deg C, pH 7.' 50527 BMRB 5713 'human prion protein globular domain' 50527 PDB 1HJM . 50527 PDB 1HJN . 50527 PDB 1I4M . 50527 PDB 1QLX . 50527 PDB 1QLZ . 50527 PDB 1QM0 . 50527 PDB 1QM2 . 50527 PDB 1QM3 . 50527 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50527 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33590433 _Citation.DOI 10.1007/s12104-021-10005-y _Citation.Full_citation . _Citation.Title ; Backbone NMR assignments of the C-terminal domain of the human prion protein and its disease-associated T183A variant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _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 193 _Citation.Page_last 196 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maximo Sanz-Hernandez . . . . 50527 1 2 Alfonso 'De Simone' . . . . 50527 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Biomolecular NMR' 50527 1 'Human prion protein' 50527 1 'Protein NMR' 50527 1 'TSE-related mutation' 50527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50527 _Assembly.ID 1 _Assembly.Name 'Human Prion Protein (residues 125-230)' _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 'Human Prion Protein (residues 125-230)' 1 $entity_1 . . yes native no no . . . 50527 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . . . 50527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50527 _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 ; LGGYMLGSAMSRPIIHFGSD YEDRYYRENMHRYPNQVYYR PMDEYSNQNNFVHDCVNITI KQHTVTTTTKGENFTETDVK MMERVVEQMCITQYERESQA YYQRGS ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P04156 . . . . . . . . . . . . . . . . 50527 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 125 LEU . 50527 1 2 126 GLY . 50527 1 3 127 GLY . 50527 1 4 128 TYR . 50527 1 5 129 MET . 50527 1 6 130 LEU . 50527 1 7 131 GLY . 50527 1 8 132 SER . 50527 1 9 133 ALA . 50527 1 10 134 MET . 50527 1 11 135 SER . 50527 1 12 136 ARG . 50527 1 13 137 PRO . 50527 1 14 138 ILE . 50527 1 15 139 ILE . 50527 1 16 140 HIS . 50527 1 17 141 PHE . 50527 1 18 142 GLY . 50527 1 19 143 SER . 50527 1 20 144 ASP . 50527 1 21 145 TYR . 50527 1 22 146 GLU . 50527 1 23 147 ASP . 50527 1 24 148 ARG . 50527 1 25 149 TYR . 50527 1 26 150 TYR . 50527 1 27 151 ARG . 50527 1 28 152 GLU . 50527 1 29 153 ASN . 50527 1 30 154 MET . 50527 1 31 155 HIS . 50527 1 32 156 ARG . 50527 1 33 157 TYR . 50527 1 34 158 PRO . 50527 1 35 159 ASN . 50527 1 36 160 GLN . 50527 1 37 161 VAL . 50527 1 38 162 TYR . 50527 1 39 163 TYR . 50527 1 40 164 ARG . 50527 1 41 165 PRO . 50527 1 42 166 MET . 50527 1 43 167 ASP . 50527 1 44 168 GLU . 50527 1 45 169 TYR . 50527 1 46 170 SER . 50527 1 47 171 ASN . 50527 1 48 172 GLN . 50527 1 49 173 ASN . 50527 1 50 174 ASN . 50527 1 51 175 PHE . 50527 1 52 176 VAL . 50527 1 53 177 HIS . 50527 1 54 178 ASP . 50527 1 55 179 CYS . 50527 1 56 180 VAL . 50527 1 57 181 ASN . 50527 1 58 182 ILE . 50527 1 59 183 THR . 50527 1 60 184 ILE . 50527 1 61 185 LYS . 50527 1 62 186 GLN . 50527 1 63 187 HIS . 50527 1 64 188 THR . 50527 1 65 189 VAL . 50527 1 66 190 THR . 50527 1 67 191 THR . 50527 1 68 192 THR . 50527 1 69 193 THR . 50527 1 70 194 LYS . 50527 1 71 195 GLY . 50527 1 72 196 GLU . 50527 1 73 197 ASN . 50527 1 74 198 PHE . 50527 1 75 199 THR . 50527 1 76 200 GLU . 50527 1 77 201 THR . 50527 1 78 202 ASP . 50527 1 79 203 VAL . 50527 1 80 204 LYS . 50527 1 81 205 MET . 50527 1 82 206 MET . 50527 1 83 207 GLU . 50527 1 84 208 ARG . 50527 1 85 209 VAL . 50527 1 86 210 VAL . 50527 1 87 211 GLU . 50527 1 88 212 GLN . 50527 1 89 213 MET . 50527 1 90 214 CYS . 50527 1 91 215 ILE . 50527 1 92 216 THR . 50527 1 93 217 GLN . 50527 1 94 218 TYR . 50527 1 95 219 GLU . 50527 1 96 220 ARG . 50527 1 97 221 GLU . 50527 1 98 222 SER . 50527 1 99 223 GLN . 50527 1 100 224 ALA . 50527 1 101 225 TYR . 50527 1 102 226 TYR . 50527 1 103 227 GLN . 50527 1 104 228 ARG . 50527 1 105 229 GLY . 50527 1 106 230 SER . 50527 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 . LEU 1 1 50527 1 . GLY 2 2 50527 1 . GLY 3 3 50527 1 . TYR 4 4 50527 1 . MET 5 5 50527 1 . LEU 6 6 50527 1 . GLY 7 7 50527 1 . SER 8 8 50527 1 . ALA 9 9 50527 1 . MET 10 10 50527 1 . SER 11 11 50527 1 . ARG 12 12 50527 1 . PRO 13 13 50527 1 . ILE 14 14 50527 1 . ILE 15 15 50527 1 . HIS 16 16 50527 1 . PHE 17 17 50527 1 . GLY 18 18 50527 1 . SER 19 19 50527 1 . ASP 20 20 50527 1 . TYR 21 21 50527 1 . GLU 22 22 50527 1 . ASP 23 23 50527 1 . ARG 24 24 50527 1 . TYR 25 25 50527 1 . TYR 26 26 50527 1 . ARG 27 27 50527 1 . GLU 28 28 50527 1 . ASN 29 29 50527 1 . MET 30 30 50527 1 . HIS 31 31 50527 1 . ARG 32 32 50527 1 . TYR 33 33 50527 1 . PRO 34 34 50527 1 . ASN 35 35 50527 1 . GLN 36 36 50527 1 . VAL 37 37 50527 1 . TYR 38 38 50527 1 . TYR 39 39 50527 1 . ARG 40 40 50527 1 . PRO 41 41 50527 1 . MET 42 42 50527 1 . ASP 43 43 50527 1 . GLU 44 44 50527 1 . TYR 45 45 50527 1 . SER 46 46 50527 1 . ASN 47 47 50527 1 . GLN 48 48 50527 1 . ASN 49 49 50527 1 . ASN 50 50 50527 1 . PHE 51 51 50527 1 . VAL 52 52 50527 1 . HIS 53 53 50527 1 . ASP 54 54 50527 1 . CYS 55 55 50527 1 . VAL 56 56 50527 1 . ASN 57 57 50527 1 . ILE 58 58 50527 1 . THR 59 59 50527 1 . ILE 60 60 50527 1 . LYS 61 61 50527 1 . GLN 62 62 50527 1 . HIS 63 63 50527 1 . THR 64 64 50527 1 . VAL 65 65 50527 1 . THR 66 66 50527 1 . THR 67 67 50527 1 . THR 68 68 50527 1 . THR 69 69 50527 1 . LYS 70 70 50527 1 . GLY 71 71 50527 1 . GLU 72 72 50527 1 . ASN 73 73 50527 1 . PHE 74 74 50527 1 . THR 75 75 50527 1 . GLU 76 76 50527 1 . THR 77 77 50527 1 . ASP 78 78 50527 1 . VAL 79 79 50527 1 . LYS 80 80 50527 1 . MET 81 81 50527 1 . MET 82 82 50527 1 . GLU 83 83 50527 1 . ARG 84 84 50527 1 . VAL 85 85 50527 1 . VAL 86 86 50527 1 . GLU 87 87 50527 1 . GLN 88 88 50527 1 . MET 89 89 50527 1 . CYS 90 90 50527 1 . ILE 91 91 50527 1 . THR 92 92 50527 1 . GLN 93 93 50527 1 . TYR 94 94 50527 1 . GLU 95 95 50527 1 . ARG 96 96 50527 1 . GLU 97 97 50527 1 . SER 98 98 50527 1 . GLN 99 99 50527 1 . ALA 100 100 50527 1 . TYR 101 101 50527 1 . TYR 102 102 50527 1 . GLN 103 103 50527 1 . ARG 104 104 50527 1 . GLY 105 105 50527 1 . SER 106 106 50527 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 50527 _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 . . . . . . . . . . . . . 50527 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 50527 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . plasmid . . 'pET His6 TEV' . . . 50527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50527 _Sample.ID 1 _Sample.Name 'Human Prion Protein (residues 125-230)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human prion protein (residues 125-230)' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50527 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 50527 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 50527 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Native conditions, 16deg C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 50527 1 pressure 1 . atm 50527 1 temperature 289 . K 50527 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50527 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50527 1 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 50527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Advance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50527 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50527 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 50527 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50527 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50527 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50527 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 50527 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WT_hPrPC125-230 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50527 1 2 '3D CBCA(CO)NH' . . . 50527 1 3 '3D CBCANH' . . . 50527 1 4 '3D HNCA' . . . 50527 1 5 '3D HN(CO)CA' . . . 50527 1 6 '3D HNCO' . . . 50527 1 7 '3D HN(CA)CO' . . . 50527 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 . . 50527 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 LEU H H 1 8.62 . . 1 . . . . . 125 L H . 50527 1 2 . 1 . 1 1 1 LEU C C 13 177.23 . . 1 . . . . . 125 L C . 50527 1 3 . 1 . 1 1 1 LEU CA C 13 54.33 . . 1 . . . . . 125 L CA . 50527 1 4 . 1 . 1 1 1 LEU CB C 13 42.09 . . 1 . . . . . 125 L CB . 50527 1 5 . 1 . 1 1 1 LEU N N 15 123.04 . . 1 . . . . . 125 L N . 50527 1 6 . 1 . 1 2 2 GLY H H 1 8.49 . . 1 . . . . . 126 G H . 50527 1 7 . 1 . 1 2 2 GLY C C 13 174.48 . . 1 . . . . . 126 G C . 50527 1 8 . 1 . 1 2 2 GLY CA C 13 46.09 . . 1 . . . . . 126 G CA . 50527 1 9 . 1 . 1 2 2 GLY N N 15 110.89 . . 1 . . . . . 126 G N . 50527 1 10 . 1 . 1 3 3 GLY H H 1 8.49 . . 1 . . . . . 127 G H . 50527 1 11 . 1 . 1 3 3 GLY C C 13 173.24 . . 1 . . . . . 127 G C . 50527 1 12 . 1 . 1 3 3 GLY CA C 13 44.72 . . 1 . . . . . 127 G CA . 50527 1 13 . 1 . 1 3 3 GLY N N 15 110.00 . . 1 . . . . . 127 G N . 50527 1 14 . 1 . 1 4 4 TYR H H 1 7.70 . . 1 . . . . . 128 Y H . 50527 1 15 . 1 . 1 4 4 TYR C C 13 175.10 . . 1 . . . . . 128 Y C . 50527 1 16 . 1 . 1 4 4 TYR CA C 13 57.52 . . 1 . . . . . 128 Y CA . 50527 1 17 . 1 . 1 4 4 TYR CB C 13 39.93 . . 1 . . . . . 128 Y CB . 50527 1 18 . 1 . 1 4 4 TYR N N 15 117.42 . . 1 . . . . . 128 Y N . 50527 1 19 . 1 . 1 5 5 MET H H 1 9.02 . . 1 . . . . . 129 M H . 50527 1 20 . 1 . 1 5 5 MET C C 13 172.57 . . 1 . . . . . 129 M C . 50527 1 21 . 1 . 1 5 5 MET CA C 13 53.24 . . 1 . . . . . 129 M CA . 50527 1 22 . 1 . 1 5 5 MET CB C 13 34.20 . . 1 . . . . . 129 M CB . 50527 1 23 . 1 . 1 5 5 MET N N 15 120.97 . . 1 . . . . . 129 M N . 50527 1 24 . 1 . 1 6 6 LEU H H 1 8.05 . . 1 . . . . . 130 L H . 50527 1 25 . 1 . 1 6 6 LEU C C 13 177.89 . . 1 . . . . . 130 L C . 50527 1 26 . 1 . 1 6 6 LEU CA C 13 53.01 . . 1 . . . . . 130 L CA . 50527 1 27 . 1 . 1 6 6 LEU CB C 13 43.05 . . 1 . . . . . 130 L CB . 50527 1 28 . 1 . 1 6 6 LEU N N 15 121.42 . . 1 . . . . . 130 L N . 50527 1 29 . 1 . 1 7 7 GLY H H 1 9.41 . . 1 . . . . . 131 G H . 50527 1 30 . 1 . 1 7 7 GLY C C 13 172.34 . . 1 . . . . . 131 G C . 50527 1 31 . 1 . 1 7 7 GLY CA C 13 44.34 . . 1 . . . . . 131 G CA . 50527 1 32 . 1 . 1 7 7 GLY N N 15 115.21 . . 1 . . . . . 131 G N . 50527 1 33 . 1 . 1 8 8 SER H H 1 8.45 . . 1 . . . . . 132 S H . 50527 1 34 . 1 . 1 8 8 SER C C 13 174.75 . . 1 . . . . . 132 S C . 50527 1 35 . 1 . 1 8 8 SER CA C 13 58.21 . . 1 . . . . . 132 S CA . 50527 1 36 . 1 . 1 8 8 SER CB C 13 63.59 . . 1 . . . . . 132 S CB . 50527 1 37 . 1 . 1 8 8 SER N N 15 113.62 . . 1 . . . . . 132 S N . 50527 1 38 . 1 . 1 9 9 ALA H H 1 8.80 . . 1 . . . . . 133 A H . 50527 1 39 . 1 . 1 9 9 ALA C C 13 177.00 . . 1 . . . . . 133 A C . 50527 1 40 . 1 . 1 9 9 ALA CA C 13 52.62 . . 1 . . . . . 133 A CA . 50527 1 41 . 1 . 1 9 9 ALA CB C 13 18.02 . . 1 . . . . . 133 A CB . 50527 1 42 . 1 . 1 9 9 ALA N N 15 125.49 . . 1 . . . . . 133 A N . 50527 1 43 . 1 . 1 10 10 MET H H 1 8.71 . . 1 . . . . . 134 M H . 50527 1 44 . 1 . 1 10 10 MET C C 13 175.07 . . 1 . . . . . 134 M C . 50527 1 45 . 1 . 1 10 10 MET CA C 13 53.52 . . 1 . . . . . 134 M CA . 50527 1 46 . 1 . 1 10 10 MET CB C 13 36.32 . . 1 . . . . . 134 M CB . 50527 1 47 . 1 . 1 10 10 MET N N 15 120.72 . . 1 . . . . . 134 M N . 50527 1 48 . 1 . 1 11 11 SER H H 1 8.48 . . 1 . . . . . 135 S H . 50527 1 49 . 1 . 1 11 11 SER C C 13 174.02 . . 1 . . . . . 135 S C . 50527 1 50 . 1 . 1 11 11 SER CA C 13 58.17 . . 1 . . . . . 135 S CA . 50527 1 51 . 1 . 1 11 11 SER CB C 13 62.64 . . 1 . . . . . 135 S CB . 50527 1 52 . 1 . 1 11 11 SER N N 15 116.35 . . 1 . . . . . 135 S N . 50527 1 53 . 1 . 1 12 12 ARG H H 1 8.74 . . 1 . . . . . 136 R H . 50527 1 54 . 1 . 1 12 12 ARG C C 13 174.36 . . 1 . . . . . 136 R C . 50527 1 55 . 1 . 1 12 12 ARG CA C 13 54.47 . . 1 . . . . . 136 R CA . 50527 1 56 . 1 . 1 12 12 ARG N N 15 126.81 . . 1 . . . . . 136 R N . 50527 1 57 . 1 . 1 13 13 PRO C C 13 175.14 . . 1 . . . . . 137 P C . 50527 1 58 . 1 . 1 13 13 PRO CA C 13 62.01 . . 1 . . . . . 137 P CA . 50527 1 59 . 1 . 1 13 13 PRO CB C 13 31.93 . . 1 . . . . . 137 P CB . 50527 1 60 . 1 . 1 14 14 ILE H H 1 8.65 . . 1 . . . . . 138 I H . 50527 1 61 . 1 . 1 14 14 ILE C C 13 174.88 . . 1 . . . . . 138 I C . 50527 1 62 . 1 . 1 14 14 ILE CA C 13 60.57 . . 1 . . . . . 138 I CA . 50527 1 63 . 1 . 1 14 14 ILE CB C 13 35.91 . . 1 . . . . . 138 I CB . 50527 1 64 . 1 . 1 14 14 ILE N N 15 122.33 . . 1 . . . . . 138 I N . 50527 1 65 . 1 . 1 15 15 ILE H H 1 6.48 . . 1 . . . . . 139 I H . 50527 1 66 . 1 . 1 15 15 ILE C C 13 172.74 . . 1 . . . . . 139 I C . 50527 1 67 . 1 . 1 15 15 ILE CA C 13 58.23 . . 1 . . . . . 139 I CA . 50527 1 68 . 1 . 1 15 15 ILE CB C 13 38.82 . . 1 . . . . . 139 I CB . 50527 1 69 . 1 . 1 15 15 ILE N N 15 126.65 . . 1 . . . . . 139 I N . 50527 1 70 . 1 . 1 16 16 HIS H H 1 8.18 . . 1 . . . . . 140 H H . 50527 1 71 . 1 . 1 16 16 HIS C C 13 174.67 . . 1 . . . . . 140 H C . 50527 1 72 . 1 . 1 16 16 HIS CA C 13 54.15 . . 1 . . . . . 140 H CA . 50527 1 73 . 1 . 1 16 16 HIS CB C 13 29.66 . . 1 . . . . . 140 H CB . 50527 1 74 . 1 . 1 16 16 HIS N N 15 122.50 . . 1 . . . . . 140 H N . 50527 1 75 . 1 . 1 17 17 PHE H H 1 10.23 . . 1 . . . . . 141 F H . 50527 1 76 . 1 . 1 17 17 PHE C C 13 176.52 . . 1 . . . . . 141 F C . 50527 1 77 . 1 . 1 17 17 PHE CA C 13 59.02 . . 1 . . . . . 141 F CA . 50527 1 78 . 1 . 1 17 17 PHE CB C 13 41.00 . . 1 . . . . . 141 F CB . 50527 1 79 . 1 . 1 17 17 PHE N N 15 124.13 . . 1 . . . . . 141 F N . 50527 1 80 . 1 . 1 18 18 GLY H H 1 9.01 . . 1 . . . . . 142 G H . 50527 1 81 . 1 . 1 18 18 GLY C C 13 173.17 . . 1 . . . . . 142 G C . 50527 1 82 . 1 . 1 18 18 GLY CA C 13 45.29 . . 1 . . . . . 142 G CA . 50527 1 83 . 1 . 1 18 18 GLY N N 15 108.48 . . 1 . . . . . 142 G N . 50527 1 84 . 1 . 1 19 19 SER H H 1 7.30 . . 1 . . . . . 143 S H . 50527 1 85 . 1 . 1 19 19 SER C C 13 173.36 . . 1 . . . . . 143 S C . 50527 1 86 . 1 . 1 19 19 SER CA C 13 56.38 . . 1 . . . . . 143 S CA . 50527 1 87 . 1 . 1 19 19 SER CB C 13 65.64 . . 1 . . . . . 143 S CB . 50527 1 88 . 1 . 1 19 19 SER N N 15 111.64 . . 1 . . . . . 143 S N . 50527 1 89 . 1 . 1 20 20 ASP H H 1 9.02 . . 1 . . . . . 144 D H . 50527 1 90 . 1 . 1 20 20 ASP C C 13 178.17 . . 1 . . . . . 144 D C . 50527 1 91 . 1 . 1 20 20 ASP CA C 13 57.17 . . 1 . . . . . 144 D CA . 50527 1 92 . 1 . 1 20 20 ASP CB C 13 40.14 . . 1 . . . . . 144 D CB . 50527 1 93 . 1 . 1 20 20 ASP N N 15 124.22 . . 1 . . . . . 144 D N . 50527 1 94 . 1 . 1 21 21 TYR H H 1 8.61 . . 1 . . . . . 145 Y H . 50527 1 95 . 1 . 1 21 21 TYR C C 13 177.52 . . 1 . . . . . 145 Y C . 50527 1 96 . 1 . 1 21 21 TYR CA C 13 61.05 . . 1 . . . . . 145 Y CA . 50527 1 97 . 1 . 1 21 21 TYR CB C 13 37.67 . . 1 . . . . . 145 Y CB . 50527 1 98 . 1 . 1 21 21 TYR N N 15 118.90 . . 1 . . . . . 145 Y N . 50527 1 99 . 1 . 1 22 22 GLU H H 1 7.75 . . 1 . . . . . 146 E H . 50527 1 100 . 1 . 1 22 22 GLU C C 13 177.11 . . 1 . . . . . 146 E C . 50527 1 101 . 1 . 1 22 22 GLU CA C 13 59.61 . . 1 . . . . . 146 E CA . 50527 1 102 . 1 . 1 22 22 GLU CB C 13 29.79 . . 1 . . . . . 146 E CB . 50527 1 103 . 1 . 1 22 22 GLU N N 15 119.02 . . 1 . . . . . 146 E N . 50527 1 104 . 1 . 1 23 23 ASP H H 1 8.15 . . 1 . . . . . 147 D H . 50527 1 105 . 1 . 1 23 23 ASP C C 13 178.79 . . 1 . . . . . 147 D C . 50527 1 106 . 1 . 1 23 23 ASP CA C 13 58.10 . . 1 . . . . . 147 D CA . 50527 1 107 . 1 . 1 23 23 ASP CB C 13 40.17 . . 1 . . . . . 147 D CB . 50527 1 108 . 1 . 1 23 23 ASP N N 15 119.23 . . 1 . . . . . 147 D N . 50527 1 109 . 1 . 1 24 24 ARG H H 1 8.14 . . 1 . . . . . 148 R H . 50527 1 110 . 1 . 1 24 24 ARG C C 13 177.19 . . 1 . . . . . 148 R C . 50527 1 111 . 1 . 1 24 24 ARG CA C 13 59.16 . . 1 . . . . . 148 R CA . 50527 1 112 . 1 . 1 24 24 ARG CB C 13 29.40 . . 1 . . . . . 148 R CB . 50527 1 113 . 1 . 1 24 24 ARG N N 15 120.03 . . 1 . . . . . 148 R N . 50527 1 114 . 1 . 1 25 25 TYR H H 1 8.32 . . 1 . . . . . 149 Y H . 50527 1 115 . 1 . 1 25 25 TYR C C 13 179.18 . . 1 . . . . . 149 Y C . 50527 1 116 . 1 . 1 25 25 TYR CA C 13 61.83 . . 1 . . . . . 149 Y CA . 50527 1 117 . 1 . 1 25 25 TYR CB C 13 37.79 . . 1 . . . . . 149 Y CB . 50527 1 118 . 1 . 1 25 25 TYR N N 15 120.94 . . 1 . . . . . 149 Y N . 50527 1 119 . 1 . 1 26 26 TYR H H 1 8.95 . . 1 . . . . . 150 Y H . 50527 1 120 . 1 . 1 26 26 TYR C C 13 176.81 . . 1 . . . . . 150 Y C . 50527 1 121 . 1 . 1 26 26 TYR CA C 13 62.66 . . 1 . . . . . 150 Y CA . 50527 1 122 . 1 . 1 26 26 TYR CB C 13 37.70 . . 1 . . . . . 150 Y CB . 50527 1 123 . 1 . 1 26 26 TYR N N 15 120.15 . . 1 . . . . . 150 Y N . 50527 1 124 . 1 . 1 27 27 ARG H H 1 7.89 . . 1 . . . . . 151 R H . 50527 1 125 . 1 . 1 27 27 ARG C C 13 179.11 . . 1 . . . . . 151 R C . 50527 1 126 . 1 . 1 27 27 ARG CA C 13 59.46 . . 1 . . . . . 151 R CA . 50527 1 127 . 1 . 1 27 27 ARG CB C 13 29.32 . . 1 . . . . . 151 R CB . 50527 1 128 . 1 . 1 27 27 ARG N N 15 117.73 . . 1 . . . . . 151 R N . 50527 1 129 . 1 . 1 28 28 GLU H H 1 8.07 . . 1 . . . . . 152 E H . 50527 1 130 . 1 . 1 28 28 GLU C C 13 176.80 . . 1 . . . . . 152 E C . 50527 1 131 . 1 . 1 28 28 GLU CA C 13 57.50 . . 1 . . . . . 152 E CA . 50527 1 132 . 1 . 1 28 28 GLU CB C 13 29.69 . . 1 . . . . . 152 E CB . 50527 1 133 . 1 . 1 28 28 GLU N N 15 116.11 . . 1 . . . . . 152 E N . 50527 1 134 . 1 . 1 29 29 ASN H H 1 7.48 . . 1 . . . . . 153 N H . 50527 1 135 . 1 . 1 29 29 ASN C C 13 175.22 . . 1 . . . . . 153 N C . 50527 1 136 . 1 . 1 29 29 ASN CA C 13 54.46 . . 1 . . . . . 153 N CA . 50527 1 137 . 1 . 1 29 29 ASN CB C 13 41.01 . . 1 . . . . . 153 N CB . 50527 1 138 . 1 . 1 29 29 ASN N N 15 114.56 . . 1 . . . . . 153 N N . 50527 1 139 . 1 . 1 30 30 MET H H 1 7.95 . . 1 . . . . . 154 M H . 50527 1 140 . 1 . 1 30 30 MET C C 13 175.35 . . 1 . . . . . 154 M C . 50527 1 141 . 1 . 1 30 30 MET CA C 13 58.72 . . 1 . . . . . 154 M CA . 50527 1 142 . 1 . 1 30 30 MET N N 15 118.58 . . 1 . . . . . 154 M N . 50527 1 143 . 1 . 1 31 31 HIS H H 1 7.92 . . 1 . . . . . 155 H H . 50527 1 144 . 1 . 1 31 31 HIS C C 13 175.68 . . 1 . . . . . 155 H C . 50527 1 145 . 1 . 1 31 31 HIS CA C 13 57.60 . . 1 . . . . . 155 H CA . 50527 1 146 . 1 . 1 31 31 HIS CB C 13 28.73 . . 1 . . . . . 155 H CB . 50527 1 147 . 1 . 1 31 31 HIS N N 15 116.33 . . 1 . . . . . 155 H N . 50527 1 148 . 1 . 1 32 32 ARG H H 1 7.43 . . 1 . . . . . 156 R H . 50527 1 149 . 1 . 1 32 32 ARG C C 13 176.21 . . 1 . . . . . 156 R C . 50527 1 150 . 1 . 1 32 32 ARG CA C 13 55.74 . . 1 . . . . . 156 R CA . 50527 1 151 . 1 . 1 32 32 ARG CB C 13 29.97 . . 1 . . . . . 156 R CB . 50527 1 152 . 1 . 1 32 32 ARG N N 15 119.26 . . 1 . . . . . 156 R N . 50527 1 153 . 1 . 1 33 33 TYR H H 1 7.42 . . 1 . . . . . 157 Y H . 50527 1 154 . 1 . 1 33 33 TYR C C 13 172.35 . . 1 . . . . . 157 Y C . 50527 1 155 . 1 . 1 33 33 TYR CA C 13 52.21 . . 1 . . . . . 157 Y CA . 50527 1 156 . 1 . 1 33 33 TYR N N 15 121.32 . . 1 . . . . . 157 Y N . 50527 1 157 . 1 . 1 34 34 PRO C C 13 174.76 . . 1 . . . . . 158 P C . 50527 1 158 . 1 . 1 34 34 PRO CA C 13 63.26 . . 1 . . . . . 158 P CA . 50527 1 159 . 1 . 1 34 34 PRO CB C 13 31.55 . . 1 . . . . . 158 P CB . 50527 1 160 . 1 . 1 35 35 ASN H H 1 8.68 . . 1 . . . . . 159 N H . 50527 1 161 . 1 . 1 35 35 ASN C C 13 172.34 . . 1 . . . . . 159 N C . 50527 1 162 . 1 . 1 35 35 ASN CA C 13 51.71 . . 1 . . . . . 159 N CA . 50527 1 163 . 1 . 1 35 35 ASN CB C 13 38.05 . . 1 . . . . . 159 N CB . 50527 1 164 . 1 . 1 35 35 ASN N N 15 116.50 . . 1 . . . . . 159 N N . 50527 1 165 . 1 . 1 36 36 GLN H H 1 7.30 . . 1 . . . . . 160 Q H . 50527 1 166 . 1 . 1 36 36 GLN C C 13 174.51 . . 1 . . . . . 160 Q C . 50527 1 167 . 1 . 1 36 36 GLN CA C 13 53.70 . . 1 . . . . . 160 Q CA . 50527 1 168 . 1 . 1 36 36 GLN CB C 13 32.63 . . 1 . . . . . 160 Q CB . 50527 1 169 . 1 . 1 36 36 GLN N N 15 113.85 . . 1 . . . . . 160 Q N . 50527 1 170 . 1 . 1 37 37 VAL H H 1 8.55 . . 1 . . . . . 161 V H . 50527 1 171 . 1 . 1 37 37 VAL C C 13 173.79 . . 1 . . . . . 161 V C . 50527 1 172 . 1 . 1 37 37 VAL CA C 13 58.31 . . 1 . . . . . 161 V CA . 50527 1 173 . 1 . 1 37 37 VAL CB C 13 33.41 . . 1 . . . . . 161 V CB . 50527 1 174 . 1 . 1 37 37 VAL N N 15 112.76 . . 1 . . . . . 161 V N . 50527 1 175 . 1 . 1 38 38 TYR H H 1 8.48 . . 1 . . . . . 162 Y H . 50527 1 176 . 1 . 1 38 38 TYR C C 13 173.99 . . 1 . . . . . 162 Y C . 50527 1 177 . 1 . 1 38 38 TYR CA C 13 56.74 . . 1 . . . . . 162 Y CA . 50527 1 178 . 1 . 1 38 38 TYR CB C 13 41.68 . . 1 . . . . . 162 Y CB . 50527 1 179 . 1 . 1 38 38 TYR N N 15 121.32 . . 1 . . . . . 162 Y N . 50527 1 180 . 1 . 1 39 39 TYR H H 1 8.59 . . 1 . . . . . 163 Y H . 50527 1 181 . 1 . 1 39 39 TYR C C 13 172.73 . . 1 . . . . . 163 Y C . 50527 1 182 . 1 . 1 39 39 TYR CA C 13 55.24 . . 1 . . . . . 163 Y CA . 50527 1 183 . 1 . 1 39 39 TYR N N 15 110.89 . . 1 . . . . . 163 Y N . 50527 1 184 . 1 . 1 41 41 PRO C C 13 176.84 . . 1 . . . . . 165 P C . 50527 1 185 . 1 . 1 41 41 PRO CA C 13 62.66 . . 1 . . . . . 165 P CA . 50527 1 186 . 1 . 1 42 42 MET H H 1 8.99 . . 1 . . . . . 166 M H . 50527 1 187 . 1 . 1 42 42 MET CA C 13 56.78 . . 1 . . . . . 166 M CA . 50527 1 188 . 1 . 1 42 42 MET N N 15 120.95 . . 1 . . . . . 166 M N . 50527 1 189 . 1 . 1 47 47 ASN C C 13 173.76 . . 1 . . . . . 171 N C . 50527 1 190 . 1 . 1 47 47 ASN CA C 13 51.88 . . 1 . . . . . 171 N CA . 50527 1 191 . 1 . 1 48 48 GLN H H 1 8.68 . . 1 . . . . . 172 Q H . 50527 1 192 . 1 . 1 48 48 GLN C C 13 176.45 . . 1 . . . . . 172 Q C . 50527 1 193 . 1 . 1 48 48 GLN CA C 13 59.27 . . 1 . . . . . 172 Q CA . 50527 1 194 . 1 . 1 48 48 GLN N N 15 120.16 . . 1 . . . . . 172 Q N . 50527 1 195 . 1 . 1 49 49 ASN H H 1 8.37 . . 1 . . . . . 173 N H . 50527 1 196 . 1 . 1 49 49 ASN C C 13 177.49 . . 1 . . . . . 173 N C . 50527 1 197 . 1 . 1 49 49 ASN CA C 13 56.14 . . 1 . . . . . 173 N CA . 50527 1 198 . 1 . 1 49 49 ASN CB C 13 37.46 . . 1 . . . . . 173 N CB . 50527 1 199 . 1 . 1 49 49 ASN N N 15 116.45 . . 1 . . . . . 173 N N . 50527 1 200 . 1 . 1 50 50 ASN H H 1 8.64 . . 1 . . . . . 174 N H . 50527 1 201 . 1 . 1 50 50 ASN C C 13 176.90 . . 1 . . . . . 174 N C . 50527 1 202 . 1 . 1 50 50 ASN CA C 13 55.52 . . 1 . . . . . 174 N CA . 50527 1 203 . 1 . 1 50 50 ASN N N 15 118.12 . . 1 . . . . . 174 N N . 50527 1 204 . 1 . 1 52 52 VAL H H 1 8.93 . . 1 . . . . . 176 V H . 50527 1 205 . 1 . 1 52 52 VAL C C 13 176.36 . . 1 . . . . . 176 V C . 50527 1 206 . 1 . 1 52 52 VAL CA C 13 67.43 . . 1 . . . . . 176 V CA . 50527 1 207 . 1 . 1 52 52 VAL CB C 13 31.59 . . 1 . . . . . 176 V CB . 50527 1 208 . 1 . 1 52 52 VAL N N 15 120.18 . . 1 . . . . . 176 V N . 50527 1 209 . 1 . 1 53 53 HIS H H 1 8.31 . . 1 . . . . . 177 H H . 50527 1 210 . 1 . 1 53 53 HIS C C 13 179.11 . . 1 . . . . . 177 H C . 50527 1 211 . 1 . 1 53 53 HIS CA C 13 59.51 . . 1 . . . . . 177 H CA . 50527 1 212 . 1 . 1 53 53 HIS N N 15 117.56 . . 1 . . . . . 177 H N . 50527 1 213 . 1 . 1 54 54 ASP H H 1 7.67 . . 1 . . . . . 178 D H . 50527 1 214 . 1 . 1 54 54 ASP C C 13 175.69 . . 1 . . . . . 178 D C . 50527 1 215 . 1 . 1 54 54 ASP CA C 13 56.88 . . 1 . . . . . 178 D CA . 50527 1 216 . 1 . 1 54 54 ASP CB C 13 41.01 . . 1 . . . . . 178 D CB . 50527 1 217 . 1 . 1 54 54 ASP N N 15 118.03 . . 1 . . . . . 178 D N . 50527 1 218 . 1 . 1 55 55 CYS H H 1 8.02 . . 1 . . . . . 179 C H . 50527 1 219 . 1 . 1 55 55 CYS C C 13 176.97 . . 1 . . . . . 179 C C . 50527 1 220 . 1 . 1 55 55 CYS CA C 13 58.25 . . 1 . . . . . 179 C CA . 50527 1 221 . 1 . 1 55 55 CYS CB C 13 40.24 . . 1 . . . . . 179 C CB . 50527 1 222 . 1 . 1 55 55 CYS N N 15 118.85 . . 1 . . . . . 179 C N . 50527 1 223 . 1 . 1 56 56 VAL H H 1 9.20 . . 1 . . . . . 180 V H . 50527 1 224 . 1 . 1 56 56 VAL C C 13 176.88 . . 1 . . . . . 180 V C . 50527 1 225 . 1 . 1 56 56 VAL CA C 13 65.85 . . 1 . . . . . 180 V CA . 50527 1 226 . 1 . 1 56 56 VAL CB C 13 31.56 . . 1 . . . . . 180 V CB . 50527 1 227 . 1 . 1 56 56 VAL N N 15 125.06 . . 1 . . . . . 180 V N . 50527 1 228 . 1 . 1 57 57 ASN H H 1 7.59 . . 1 . . . . . 181 N H . 50527 1 229 . 1 . 1 57 57 ASN C C 13 178.15 . . 1 . . . . . 181 N C . 50527 1 230 . 1 . 1 57 57 ASN CA C 13 56.24 . . 1 . . . . . 181 N CA . 50527 1 231 . 1 . 1 57 57 ASN N N 15 115.95 . . 1 . . . . . 181 N N . 50527 1 232 . 1 . 1 58 58 ILE H H 1 8.65 . . 1 . . . . . 182 I H . 50527 1 233 . 1 . 1 58 58 ILE C C 13 177.31 . . 1 . . . . . 182 I C . 50527 1 234 . 1 . 1 58 58 ILE CA C 13 61.65 . . 1 . . . . . 182 I CA . 50527 1 235 . 1 . 1 58 58 ILE CB C 13 36.15 . . 1 . . . . . 182 I CB . 50527 1 236 . 1 . 1 58 58 ILE N N 15 118.78 . . 1 . . . . . 182 I N . 50527 1 237 . 1 . 1 59 59 THR H H 1 8.15 . . 1 . . . . . 183 T H . 50527 1 238 . 1 . 1 59 59 THR C C 13 177.34 . . 1 . . . . . 183 T C . 50527 1 239 . 1 . 1 59 59 THR CA C 13 68.30 . . 1 . . . . . 183 T CA . 50527 1 240 . 1 . 1 59 59 THR N N 15 118.07 . . 1 . . . . . 183 T N . 50527 1 241 . 1 . 1 60 60 ILE H H 1 8.44 . . 1 . . . . . 184 I H . 50527 1 242 . 1 . 1 60 60 ILE C C 13 178.39 . . 1 . . . . . 184 I C . 50527 1 243 . 1 . 1 60 60 ILE CA C 13 66.15 . . 1 . . . . . 184 I CA . 50527 1 244 . 1 . 1 60 60 ILE CB C 13 36.58 . . 1 . . . . . 184 I CB . 50527 1 245 . 1 . 1 60 60 ILE N N 15 120.92 . . 1 . . . . . 184 I N . 50527 1 246 . 1 . 1 61 61 LYS H H 1 8.07 . . 1 . . . . . 185 K H . 50527 1 247 . 1 . 1 61 61 LYS C C 13 178.68 . . 1 . . . . . 185 K C . 50527 1 248 . 1 . 1 61 61 LYS CA C 13 59.92 . . 1 . . . . . 185 K CA . 50527 1 249 . 1 . 1 61 61 LYS CB C 13 31.88 . . 1 . . . . . 185 K CB . 50527 1 250 . 1 . 1 61 61 LYS N N 15 123.34 . . 1 . . . . . 185 K N . 50527 1 251 . 1 . 1 62 62 GLN H H 1 8.54 . . 1 . . . . . 186 Q H . 50527 1 252 . 1 . 1 62 62 GLN C C 13 178.19 . . 1 . . . . . 186 Q C . 50527 1 253 . 1 . 1 62 62 GLN CA C 13 57.69 . . 1 . . . . . 186 Q CA . 50527 1 254 . 1 . 1 62 62 GLN CB C 13 27.27 . . 1 . . . . . 186 Q CB . 50527 1 255 . 1 . 1 62 62 GLN N N 15 117.05 . . 1 . . . . . 186 Q N . 50527 1 256 . 1 . 1 63 63 HIS H H 1 8.48 . . 1 . . . . . 187 H H . 50527 1 257 . 1 . 1 63 63 HIS C C 13 178.35 . . 1 . . . . . 187 H C . 50527 1 258 . 1 . 1 63 63 HIS CA C 13 59.49 . . 1 . . . . . 187 H CA . 50527 1 259 . 1 . 1 63 63 HIS CB C 13 31.80 . . 1 . . . . . 187 H CB . 50527 1 260 . 1 . 1 63 63 HIS N N 15 119.92 . . 1 . . . . . 187 H N . 50527 1 261 . 1 . 1 64 64 THR H H 1 8.48 . . 1 . . . . . 188 T H . 50527 1 262 . 1 . 1 64 64 THR C C 13 176.07 . . 1 . . . . . 188 T C . 50527 1 263 . 1 . 1 64 64 THR CA C 13 66.52 . . 1 . . . . . 188 T CA . 50527 1 264 . 1 . 1 64 64 THR CB C 13 68.24 . . 1 . . . . . 188 T CB . 50527 1 265 . 1 . 1 64 64 THR N N 15 115.09 . . 1 . . . . . 188 T N . 50527 1 266 . 1 . 1 65 65 VAL H H 1 8.05 . . 1 . . . . . 189 V H . 50527 1 267 . 1 . 1 65 65 VAL C C 13 178.19 . . 1 . . . . . 189 V C . 50527 1 268 . 1 . 1 65 65 VAL CA C 13 66.00 . . 1 . . . . . 189 V CA . 50527 1 269 . 1 . 1 65 65 VAL CB C 13 31.36 . . 1 . . . . . 189 V CB . 50527 1 270 . 1 . 1 65 65 VAL N N 15 123.18 . . 1 . . . . . 189 V N . 50527 1 271 . 1 . 1 66 66 THR H H 1 8.19 . . 1 . . . . . 190 T H . 50527 1 272 . 1 . 1 66 66 THR C C 13 176.37 . . 1 . . . . . 190 T C . 50527 1 273 . 1 . 1 66 66 THR CA C 13 65.16 . . 1 . . . . . 190 T CA . 50527 1 274 . 1 . 1 66 66 THR CB C 13 68.68 . . 1 . . . . . 190 T CB . 50527 1 275 . 1 . 1 66 66 THR N N 15 115.11 . . 1 . . . . . 190 T N . 50527 1 276 . 1 . 1 67 67 THR H H 1 8.03 . . 1 . . . . . 191 T H . 50527 1 277 . 1 . 1 67 67 THR C C 13 176.70 . . 1 . . . . . 191 T C . 50527 1 278 . 1 . 1 67 67 THR CA C 13 65.04 . . 1 . . . . . 191 T CA . 50527 1 279 . 1 . 1 67 67 THR CB C 13 68.36 . . 1 . . . . . 191 T CB . 50527 1 280 . 1 . 1 67 67 THR N N 15 114.48 . . 1 . . . . . 191 T N . 50527 1 281 . 1 . 1 68 68 THR H H 1 8.25 . . 1 . . . . . 192 T H . 50527 1 282 . 1 . 1 68 68 THR C C 13 177.63 . . 1 . . . . . 192 T C . 50527 1 283 . 1 . 1 68 68 THR CA C 13 65.23 . . 1 . . . . . 192 T CA . 50527 1 284 . 1 . 1 68 68 THR CB C 13 68.58 . . 1 . . . . . 192 T CB . 50527 1 285 . 1 . 1 68 68 THR N N 15 118.34 . . 1 . . . . . 192 T N . 50527 1 286 . 1 . 1 69 69 THR H H 1 7.82 . . 1 . . . . . 193 T H . 50527 1 287 . 1 . 1 69 69 THR C C 13 174.76 . . 1 . . . . . 193 T C . 50527 1 288 . 1 . 1 69 69 THR CA C 13 64.52 . . 1 . . . . . 193 T CA . 50527 1 289 . 1 . 1 69 69 THR CB C 13 68.57 . . 1 . . . . . 193 T CB . 50527 1 290 . 1 . 1 69 69 THR N N 15 116.50 . . 1 . . . . . 193 T N . 50527 1 291 . 1 . 1 70 70 LYS H H 1 7.43 . . 1 . . . . . 194 K H . 50527 1 292 . 1 . 1 70 70 LYS C C 13 176.29 . . 1 . . . . . 194 K C . 50527 1 293 . 1 . 1 70 70 LYS CA C 13 55.79 . . 1 . . . . . 194 K CA . 50527 1 294 . 1 . 1 70 70 LYS CB C 13 32.07 . . 1 . . . . . 194 K CB . 50527 1 295 . 1 . 1 70 70 LYS N N 15 119.31 . . 1 . . . . . 194 K N . 50527 1 296 . 1 . 1 71 71 GLY H H 1 7.90 . . 1 . . . . . 195 G H . 50527 1 297 . 1 . 1 71 71 GLY C C 13 173.85 . . 1 . . . . . 195 G C . 50527 1 298 . 1 . 1 71 71 GLY CA C 13 45.05 . . 1 . . . . . 195 G CA . 50527 1 299 . 1 . 1 71 71 GLY N N 15 107.71 . . 1 . . . . . 195 G N . 50527 1 300 . 1 . 1 72 72 GLU H H 1 7.43 . . 1 . . . . . 196 E H . 50527 1 301 . 1 . 1 72 72 GLU C C 13 174.49 . . 1 . . . . . 196 E C . 50527 1 302 . 1 . 1 72 72 GLU CA C 13 55.16 . . 1 . . . . . 196 E CA . 50527 1 303 . 1 . 1 72 72 GLU CB C 13 30.83 . . 1 . . . . . 196 E CB . 50527 1 304 . 1 . 1 72 72 GLU N N 15 119.99 . . 1 . . . . . 196 E N . 50527 1 305 . 1 . 1 73 73 ASN H H 1 8.52 . . 1 . . . . . 197 N H . 50527 1 306 . 1 . 1 73 73 ASN C C 13 173.14 . . 1 . . . . . 197 N C . 50527 1 307 . 1 . 1 73 73 ASN CA C 13 52.39 . . 1 . . . . . 197 N CA . 50527 1 308 . 1 . 1 73 73 ASN CB C 13 40.80 . . 1 . . . . . 197 N CB . 50527 1 309 . 1 . 1 73 73 ASN N N 15 119.21 . . 1 . . . . . 197 N N . 50527 1 310 . 1 . 1 74 74 PHE H H 1 8.78 . . 1 . . . . . 198 F H . 50527 1 311 . 1 . 1 74 74 PHE C C 13 176.30 . . 1 . . . . . 198 F C . 50527 1 312 . 1 . 1 74 74 PHE CA C 13 56.10 . . 1 . . . . . 198 F CA . 50527 1 313 . 1 . 1 74 74 PHE CB C 13 39.64 . . 1 . . . . . 198 F CB . 50527 1 314 . 1 . 1 74 74 PHE N N 15 121.62 . . 1 . . . . . 198 F N . 50527 1 315 . 1 . 1 75 75 THR H H 1 9.58 . . 1 . . . . . 199 T H . 50527 1 316 . 1 . 1 75 75 THR C C 13 174.94 . . 1 . . . . . 199 T C . 50527 1 317 . 1 . 1 75 75 THR CA C 13 59.99 . . 1 . . . . . 199 T CA . 50527 1 318 . 1 . 1 75 75 THR CB C 13 71.75 . . 1 . . . . . 199 T CB . 50527 1 319 . 1 . 1 75 75 THR N N 15 115.93 . . 1 . . . . . 199 T N . 50527 1 320 . 1 . 1 76 76 GLU H H 1 9.16 . . 1 . . . . . 200 E H . 50527 1 321 . 1 . 1 76 76 GLU C C 13 178.85 . . 1 . . . . . 200 E C . 50527 1 322 . 1 . 1 76 76 GLU CA C 13 59.69 . . 1 . . . . . 200 E CA . 50527 1 323 . 1 . 1 76 76 GLU CB C 13 28.79 . . 1 . . . . . 200 E CB . 50527 1 324 . 1 . 1 76 76 GLU N N 15 119.70 . . 1 . . . . . 200 E N . 50527 1 325 . 1 . 1 77 77 THR H H 1 7.95 . . 1 . . . . . 201 T H . 50527 1 326 . 1 . 1 77 77 THR C C 13 175.10 . . 1 . . . . . 201 T C . 50527 1 327 . 1 . 1 77 77 THR CA C 13 66.49 . . 1 . . . . . 201 T CA . 50527 1 328 . 1 . 1 77 77 THR CB C 13 68.27 . . 1 . . . . . 201 T CB . 50527 1 329 . 1 . 1 77 77 THR N N 15 116.23 . . 1 . . . . . 201 T N . 50527 1 330 . 1 . 1 78 78 ASP H H 1 7.49 . . 1 . . . . . 202 D H . 50527 1 331 . 1 . 1 78 78 ASP C C 13 177.20 . . 1 . . . . . 202 D C . 50527 1 332 . 1 . 1 78 78 ASP CA C 13 57.65 . . 1 . . . . . 202 D CA . 50527 1 333 . 1 . 1 78 78 ASP CB C 13 41.41 . . 1 . . . . . 202 D CB . 50527 1 334 . 1 . 1 78 78 ASP N N 15 119.91 . . 1 . . . . . 202 D N . 50527 1 335 . 1 . 1 79 79 VAL H H 1 8.21 . . 1 . . . . . 203 V H . 50527 1 336 . 1 . 1 79 79 VAL C C 13 177.09 . . 1 . . . . . 203 V C . 50527 1 337 . 1 . 1 79 79 VAL CA C 13 67.50 . . 1 . . . . . 203 V CA . 50527 1 338 . 1 . 1 79 79 VAL CB C 13 31.06 . . 1 . . . . . 203 V CB . 50527 1 339 . 1 . 1 79 79 VAL N N 15 119.34 . . 1 . . . . . 203 V N . 50527 1 340 . 1 . 1 80 80 LYS H H 1 7.67 . . 1 . . . . . 204 K H . 50527 1 341 . 1 . 1 80 80 LYS C C 13 179.71 . . 1 . . . . . 204 K C . 50527 1 342 . 1 . 1 80 80 LYS CA C 13 58.73 . . 1 . . . . . 204 K CA . 50527 1 343 . 1 . 1 80 80 LYS CB C 13 31.50 . . 1 . . . . . 204 K CB . 50527 1 344 . 1 . 1 80 80 LYS N N 15 118.77 . . 1 . . . . . 204 K N . 50527 1 345 . 1 . 1 81 81 MET H H 1 8.16 . . 1 . . . . . 205 M H . 50527 1 346 . 1 . 1 81 81 MET C C 13 177.84 . . 1 . . . . . 205 M C . 50527 1 347 . 1 . 1 81 81 MET CA C 13 59.57 . . 1 . . . . . 205 M CA . 50527 1 348 . 1 . 1 81 81 MET CB C 13 32.37 . . 1 . . . . . 205 M CB . 50527 1 349 . 1 . 1 81 81 MET N N 15 118.38 . . 1 . . . . . 205 M N . 50527 1 350 . 1 . 1 82 82 MET H H 1 8.65 . . 1 . . . . . 206 M H . 50527 1 351 . 1 . 1 82 82 MET C C 13 177.39 . . 1 . . . . . 206 M C . 50527 1 352 . 1 . 1 82 82 MET CA C 13 59.66 . . 1 . . . . . 206 M CA . 50527 1 353 . 1 . 1 82 82 MET CB C 13 33.42 . . 1 . . . . . 206 M CB . 50527 1 354 . 1 . 1 82 82 MET N N 15 118.13 . . 1 . . . . . 206 M N . 50527 1 355 . 1 . 1 83 83 GLU H H 1 8.56 . . 1 . . . . . 207 E H . 50527 1 356 . 1 . 1 83 83 GLU C C 13 178.38 . . 1 . . . . . 207 E C . 50527 1 357 . 1 . 1 83 83 GLU CA C 13 60.37 . . 1 . . . . . 207 E CA . 50527 1 358 . 1 . 1 83 83 GLU CB C 13 28.80 . . 1 . . . . . 207 E CB . 50527 1 359 . 1 . 1 83 83 GLU N N 15 118.69 . . 1 . . . . . 207 E N . 50527 1 360 . 1 . 1 84 84 ARG H H 1 7.26 . . 1 . . . . . 208 R H . 50527 1 361 . 1 . 1 84 84 ARG C C 13 179.03 . . 1 . . . . . 208 R C . 50527 1 362 . 1 . 1 84 84 ARG CA C 13 58.04 . . 1 . . . . . 208 R CA . 50527 1 363 . 1 . 1 84 84 ARG CB C 13 29.68 . . 1 . . . . . 208 R CB . 50527 1 364 . 1 . 1 84 84 ARG N N 15 116.60 . . 1 . . . . . 208 R N . 50527 1 365 . 1 . 1 85 85 VAL H H 1 8.32 . . 1 . . . . . 209 V H . 50527 1 366 . 1 . 1 85 85 VAL C C 13 176.72 . . 1 . . . . . 209 V C . 50527 1 367 . 1 . 1 85 85 VAL CA C 13 65.36 . . 1 . . . . . 209 V CA . 50527 1 368 . 1 . 1 85 85 VAL CB C 13 31.79 . . 1 . . . . . 209 V CB . 50527 1 369 . 1 . 1 85 85 VAL N N 15 119.00 . . 1 . . . . . 209 V N . 50527 1 370 . 1 . 1 86 86 VAL H H 1 9.18 . . 1 . . . . . 210 V H . 50527 1 371 . 1 . 1 86 86 VAL C C 13 177.16 . . 1 . . . . . 210 V C . 50527 1 372 . 1 . 1 86 86 VAL CA C 13 66.09 . . 1 . . . . . 210 V CA . 50527 1 373 . 1 . 1 86 86 VAL CB C 13 30.48 . . 1 . . . . . 210 V CB . 50527 1 374 . 1 . 1 86 86 VAL N N 15 121.44 . . 1 . . . . . 210 V N . 50527 1 375 . 1 . 1 87 87 GLU H H 1 7.90 . . 1 . . . . . 211 E H . 50527 1 376 . 1 . 1 87 87 GLU C C 13 177.16 . . 1 . . . . . 211 E C . 50527 1 377 . 1 . 1 87 87 GLU CA C 13 60.75 . . 1 . . . . . 211 E CA . 50527 1 378 . 1 . 1 87 87 GLU CB C 13 28.78 . . 1 . . . . . 211 E CB . 50527 1 379 . 1 . 1 87 87 GLU N N 15 120.44 . . 1 . . . . . 211 E N . 50527 1 380 . 1 . 1 88 88 GLN H H 1 7.07 . . 1 . . . . . 212 Q H . 50527 1 381 . 1 . 1 88 88 GLN C C 13 178.55 . . 1 . . . . . 212 Q C . 50527 1 382 . 1 . 1 88 88 GLN CA C 13 58.60 . . 1 . . . . . 212 Q CA . 50527 1 383 . 1 . 1 88 88 GLN CB C 13 27.41 . . 1 . . . . . 212 Q CB . 50527 1 384 . 1 . 1 88 88 GLN N N 15 114.55 . . 1 . . . . . 212 Q N . 50527 1 385 . 1 . 1 89 89 MET H H 1 8.13 . . 1 . . . . . 213 M H . 50527 1 386 . 1 . 1 89 89 MET C C 13 178.23 . . 1 . . . . . 213 M C . 50527 1 387 . 1 . 1 89 89 MET CA C 13 59.45 . . 1 . . . . . 213 M CA . 50527 1 388 . 1 . 1 89 89 MET CB C 13 34.09 . . 1 . . . . . 213 M CB . 50527 1 389 . 1 . 1 89 89 MET N N 15 119.21 . . 1 . . . . . 213 M N . 50527 1 390 . 1 . 1 90 90 CYS H H 1 9.22 . . 1 . . . . . 214 C H . 50527 1 391 . 1 . 1 90 90 CYS C C 13 176.54 . . 1 . . . . . 214 C C . 50527 1 392 . 1 . 1 90 90 CYS CA C 13 59.50 . . 1 . . . . . 214 C CA . 50527 1 393 . 1 . 1 90 90 CYS CB C 13 41.52 . . 1 . . . . . 214 C CB . 50527 1 394 . 1 . 1 90 90 CYS N N 15 119.32 . . 1 . . . . . 214 C N . 50527 1 395 . 1 . 1 91 91 ILE H H 1 8.37 . . 1 . . . . . 215 I H . 50527 1 396 . 1 . 1 91 91 ILE C C 13 177.62 . . 1 . . . . . 215 I C . 50527 1 397 . 1 . 1 91 91 ILE CA C 13 66.38 . . 1 . . . . . 215 I CA . 50527 1 398 . 1 . 1 91 91 ILE CB C 13 37.59 . . 1 . . . . . 215 I CB . 50527 1 399 . 1 . 1 91 91 ILE N N 15 123.95 . . 1 . . . . . 215 I N . 50527 1 400 . 1 . 1 92 92 THR H H 1 8.11 . . 1 . . . . . 216 T H . 50527 1 401 . 1 . 1 92 92 THR C C 13 176.47 . . 1 . . . . . 216 T C . 50527 1 402 . 1 . 1 92 92 THR CA C 13 66.73 . . 1 . . . . . 216 T CA . 50527 1 403 . 1 . 1 92 92 THR CB C 13 67.78 . . 1 . . . . . 216 T CB . 50527 1 404 . 1 . 1 92 92 THR N N 15 118.57 . . 1 . . . . . 216 T N . 50527 1 405 . 1 . 1 93 93 GLN H H 1 8.67 . . 1 . . . . . 217 Q H . 50527 1 406 . 1 . 1 93 93 GLN C C 13 176.84 . . 1 . . . . . 217 Q C . 50527 1 407 . 1 . 1 93 93 GLN CA C 13 58.16 . . 1 . . . . . 217 Q CA . 50527 1 408 . 1 . 1 93 93 GLN N N 15 122.14 . . 1 . . . . . 217 Q N . 50527 1 409 . 1 . 1 94 94 TYR H H 1 8.64 . . 1 . . . . . 218 Y H . 50527 1 410 . 1 . 1 94 94 TYR C C 13 177.74 . . 1 . . . . . 218 Y C . 50527 1 411 . 1 . 1 94 94 TYR CA C 13 61.65 . . 1 . . . . . 218 Y CA . 50527 1 412 . 1 . 1 94 94 TYR CB C 13 36.54 . . 1 . . . . . 218 Y CB . 50527 1 413 . 1 . 1 94 94 TYR N N 15 121.39 . . 1 . . . . . 218 Y N . 50527 1 414 . 1 . 1 95 95 GLU H H 1 8.33 . . 1 . . . . . 219 E H . 50527 1 415 . 1 . 1 95 95 GLU C C 13 178.80 . . 1 . . . . . 219 E C . 50527 1 416 . 1 . 1 95 95 GLU CA C 13 59.37 . . 1 . . . . . 219 E CA . 50527 1 417 . 1 . 1 95 95 GLU N N 15 121.21 . . 1 . . . . . 219 E N . 50527 1 418 . 1 . 1 97 97 GLU H H 1 8.52 . . 1 . . . . . 221 E H . 50527 1 419 . 1 . 1 97 97 GLU C C 13 178.75 . . 1 . . . . . 221 E C . 50527 1 420 . 1 . 1 97 97 GLU CA C 13 57.64 . . 1 . . . . . 221 E CA . 50527 1 421 . 1 . 1 97 97 GLU CB C 13 28.68 . . 1 . . . . . 221 E CB . 50527 1 422 . 1 . 1 97 97 GLU N N 15 119.28 . . 1 . . . . . 221 E N . 50527 1 423 . 1 . 1 98 98 SER H H 1 8.53 . . 1 . . . . . 222 S H . 50527 1 424 . 1 . 1 98 98 SER CA C 13 61.02 . . 1 . . . . . 222 S CA . 50527 1 425 . 1 . 1 98 98 SER CB C 13 62.00 . . 1 . . . . . 222 S CB . 50527 1 426 . 1 . 1 98 98 SER N N 15 115.93 . . 1 . . . . . 222 S N . 50527 1 427 . 1 . 1 99 99 GLN H H 1 7.57 . . 1 . . . . . 223 Q H . 50527 1 428 . 1 . 1 99 99 GLN C C 13 177.41 . . 1 . . . . . 223 Q C . 50527 1 429 . 1 . 1 99 99 GLN CA C 13 58.04 . . 1 . . . . . 223 Q CA . 50527 1 430 . 1 . 1 99 99 GLN N N 15 120.33 . . 1 . . . . . 223 Q N . 50527 1 431 . 1 . 1 100 100 ALA H H 1 7.45 . . 1 . . . . . 224 A H . 50527 1 432 . 1 . 1 100 100 ALA C C 13 178.83 . . 1 . . . . . 224 A C . 50527 1 433 . 1 . 1 100 100 ALA CA C 13 53.74 . . 1 . . . . . 224 A CA . 50527 1 434 . 1 . 1 100 100 ALA CB C 13 18.00 . . 1 . . . . . 224 A CB . 50527 1 435 . 1 . 1 100 100 ALA N N 15 120.31 . . 1 . . . . . 224 A N . 50527 1 436 . 1 . 1 101 101 TYR H H 1 8.11 . . 1 . . . . . 225 Y H . 50527 1 437 . 1 . 1 101 101 TYR C C 13 177.11 . . 1 . . . . . 225 Y C . 50527 1 438 . 1 . 1 101 101 TYR CA C 13 60.24 . . 1 . . . . . 225 Y CA . 50527 1 439 . 1 . 1 101 101 TYR CB C 13 38.75 . . 1 . . . . . 225 Y CB . 50527 1 440 . 1 . 1 101 101 TYR N N 15 119.54 . . 1 . . . . . 225 Y N . 50527 1 441 . 1 . 1 102 102 TYR H H 1 8.02 . . 1 . . . . . 226 Y H . 50527 1 442 . 1 . 1 102 102 TYR C C 13 176.27 . . 1 . . . . . 226 Y C . 50527 1 443 . 1 . 1 102 102 TYR CA C 13 58.96 . . 1 . . . . . 226 Y CA . 50527 1 444 . 1 . 1 102 102 TYR CB C 13 37.52 . . 1 . . . . . 226 Y CB . 50527 1 445 . 1 . 1 102 102 TYR N N 15 117.83 . . 1 . . . . . 226 Y N . 50527 1 446 . 1 . 1 103 103 GLN H H 1 7.80 . . 1 . . . . . 227 Q H . 50527 1 447 . 1 . 1 103 103 GLN C C 13 175.83 . . 1 . . . . . 227 Q C . 50527 1 448 . 1 . 1 103 103 GLN CA C 13 55.86 . . 1 . . . . . 227 Q CA . 50527 1 449 . 1 . 1 103 103 GLN CB C 13 28.26 . . 1 . . . . . 227 Q CB . 50527 1 450 . 1 . 1 103 103 GLN N N 15 119.06 . . 1 . . . . . 227 Q N . 50527 1 451 . 1 . 1 104 104 ARG H H 1 7.87 . . 1 . . . . . 228 R H . 50527 1 452 . 1 . 1 104 104 ARG C C 13 176.63 . . 1 . . . . . 228 R C . 50527 1 453 . 1 . 1 104 104 ARG CA C 13 56.63 . . 1 . . . . . 228 R CA . 50527 1 454 . 1 . 1 104 104 ARG CB C 13 30.22 . . 1 . . . . . 228 R CB . 50527 1 455 . 1 . 1 104 104 ARG N N 15 120.72 . . 1 . . . . . 228 R N . 50527 1 456 . 1 . 1 105 105 GLY H H 1 8.28 . . 1 . . . . . 229 G H . 50527 1 457 . 1 . 1 105 105 GLY C C 13 172.95 . . 1 . . . . . 229 G C . 50527 1 458 . 1 . 1 105 105 GLY CA C 13 44.86 . . 1 . . . . . 229 G CA . 50527 1 459 . 1 . 1 105 105 GLY N N 15 109.72 . . 1 . . . . . 229 G N . 50527 1 460 . 1 . 1 106 106 SER H H 1 7.84 . . 1 . . . . . 230 S H . 50527 1 461 . 1 . 1 106 106 SER C C 13 178.36 . . 1 . . . . . 230 S C . 50527 1 462 . 1 . 1 106 106 SER CA C 13 59.55 . . 1 . . . . . 230 S CA . 50527 1 463 . 1 . 1 106 106 SER CB C 13 64.44 . . 1 . . . . . 230 S CB . 50527 1 464 . 1 . 1 106 106 SER N N 15 120.99 . . 1 . . . . . 230 S N . 50527 1 stop_ save_