data_28135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28135 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Intrinsically Disordered Domain of human ANP32A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-27 _Entry.Accession_date 2020-06-27 _Entry.Last_release_date 2020-06-27 _Entry.Original_release_date 2020-06-27 _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 hIDD _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 Aldo 'Camacho Zarco' . R . . 28135 2 Sissy Kalayil . . . . 28135 3 Damien Maurin . . . . 28135 4 Nicola Salvi . . . . 28135 5 Elise Delaforge . . . . 28135 6 Sigrid Milles . . . . 28135 7 Malene 'Ringkj bing Jensen' . . . . 28135 8 Darren Hart . . . . 28135 9 Stephen Cusack . . . . 28135 10 Martin Blackledge . . . . 28135 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Univ. Grenoble Alples, CNRS, CEA, IBS. F-38000 Grenoble' . 28135 2 . 'European Molecular Biology Laboratory, Grenoble' . 28135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 28135 '15N chemical shifts' 76 28135 '1H chemical shifts' 76 28135 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 . . 2021-12-20 . original BMRB . 28135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28134 'Intrinsically disordered domain of chicken ANP32A' 28135 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28135 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32694517 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular basis of host-adaptation interactions between influenza virus polymerase PB2 subunit and ANP32A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 3656 _Citation.Page_last 3656 _Citation.Year 2020 _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 Aldo Camacho-Zarco . . . . 28135 1 2 Sissy Kalayil . . . . 28135 1 3 Damien Maurin . . . . 28135 1 4 Nicola Salvi . . . . 28135 1 5 Elise Delaforge . . . . 28135 1 6 Sigrid Milles . . . . 28135 1 7 Malene 'Ringkj bing Jensen' . . . . 28135 1 8 Darren Hart . . . . 28135 1 9 Stephen Cusack . . . . 28135 1 10 Martin Blackledge . . . . 28135 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ANP32A 28135 1 hIDD 28135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28135 _Assembly.ID 1 _Assembly.Name 'Intrinsically disordered region of human ANP32A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hIDD 1 $Instrinsically_disordered_domain_of_human_ANP32A A . yes native no no . . . 28135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Instrinsically_disordered_domain_of_human_ANP32A _Entity.Sf_category entity _Entity.Sf_framecode Instrinsically_disordered_domain_of_human_ANP32A _Entity.Entry_ID 28135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Instrinsically_disordered_domain_of_human_ANP32A _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 ; GRQYLDGYDRDDKEAPDSDA EGYVEGLDDEEEDEDEEEYD EDAQVVEDEEDEDEEEEGEE EDVSGEEEEDEEGYNDGEVD DEEDEEEFGEEERGQKRKRE PEDEGEDDDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The numbering corresponds to that of the full length human ANP32A protein. The assignment starts with the chemical shifts corresponding to residue 151 up to residue 249. ; _Entity.Polymer_author_seq_details 'The peptide includes in the N-terminal (before residue 151) some residues that correspond to the folded domain of ANP32A.' _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment hIDD _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12828.23 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Implicated in a number of cellular processes, including proliferation, differentiation, caspase-dependent and caspase-independent apoptosis, suppression of transformation (tumor suppressor), inhibition of protein phosphatase 2A, regulation of mRNA trafficking and stability in association with ELAVL1, and inhibition of acetyltransferases as part of the INHAT (inhibitor of histone acetyltransferases) complex. Plays a role in E4F1-mediated transcriptional repression. ; 28135 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 1 141 GLY . 28135 1 2 142 ARG . 28135 1 3 143 GLN . 28135 1 4 144 TYR . 28135 1 5 145 LEU . 28135 1 6 146 ASP . 28135 1 7 147 GLY . 28135 1 8 148 TYR . 28135 1 9 149 ASP . 28135 1 10 150 ARG . 28135 1 11 151 ASP . 28135 1 12 152 ASP . 28135 1 13 153 LYS . 28135 1 14 154 GLU . 28135 1 15 155 ALA . 28135 1 16 156 PRO . 28135 1 17 157 ASP . 28135 1 18 158 SER . 28135 1 19 159 ASP . 28135 1 20 160 ALA . 28135 1 21 161 GLU . 28135 1 22 162 GLY . 28135 1 23 163 TYR . 28135 1 24 164 VAL . 28135 1 25 165 GLU . 28135 1 26 166 GLY . 28135 1 27 167 LEU . 28135 1 28 168 ASP . 28135 1 29 169 ASP . 28135 1 30 170 GLU . 28135 1 31 171 GLU . 28135 1 32 172 GLU . 28135 1 33 173 ASP . 28135 1 34 174 GLU . 28135 1 35 175 ASP . 28135 1 36 176 GLU . 28135 1 37 177 GLU . 28135 1 38 178 GLU . 28135 1 39 179 TYR . 28135 1 40 180 ASP . 28135 1 41 181 GLU . 28135 1 42 182 ASP . 28135 1 43 183 ALA . 28135 1 44 184 GLN . 28135 1 45 185 VAL . 28135 1 46 186 VAL . 28135 1 47 187 GLU . 28135 1 48 188 ASP . 28135 1 49 189 GLU . 28135 1 50 190 GLU . 28135 1 51 191 ASP . 28135 1 52 192 GLU . 28135 1 53 193 ASP . 28135 1 54 194 GLU . 28135 1 55 195 GLU . 28135 1 56 196 GLU . 28135 1 57 197 GLU . 28135 1 58 198 GLY . 28135 1 59 199 GLU . 28135 1 60 200 GLU . 28135 1 61 201 GLU . 28135 1 62 202 ASP . 28135 1 63 203 VAL . 28135 1 64 204 SER . 28135 1 65 205 GLY . 28135 1 66 206 GLU . 28135 1 67 207 GLU . 28135 1 68 208 GLU . 28135 1 69 209 GLU . 28135 1 70 210 ASP . 28135 1 71 211 GLU . 28135 1 72 212 GLU . 28135 1 73 213 GLY . 28135 1 74 214 TYR . 28135 1 75 215 ASN . 28135 1 76 216 ASP . 28135 1 77 217 GLY . 28135 1 78 218 GLU . 28135 1 79 219 VAL . 28135 1 80 220 ASP . 28135 1 81 221 ASP . 28135 1 82 222 GLU . 28135 1 83 223 GLU . 28135 1 84 224 ASP . 28135 1 85 225 GLU . 28135 1 86 226 GLU . 28135 1 87 227 GLU . 28135 1 88 228 PHE . 28135 1 89 229 GLY . 28135 1 90 230 GLU . 28135 1 91 231 GLU . 28135 1 92 232 GLU . 28135 1 93 233 ARG . 28135 1 94 234 GLY . 28135 1 95 235 GLN . 28135 1 96 236 LYS . 28135 1 97 237 ARG . 28135 1 98 238 LYS . 28135 1 99 239 ARG . 28135 1 100 240 GLU . 28135 1 101 241 PRO . 28135 1 102 242 GLU . 28135 1 103 243 ASP . 28135 1 104 244 GLU . 28135 1 105 245 GLY . 28135 1 106 246 GLU . 28135 1 107 247 ASP . 28135 1 108 248 ASP . 28135 1 109 249 ASP . 28135 1 110 250 ASP . 28135 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 28135 1 . ARG 2 2 28135 1 . GLN 3 3 28135 1 . TYR 4 4 28135 1 . LEU 5 5 28135 1 . ASP 6 6 28135 1 . GLY 7 7 28135 1 . TYR 8 8 28135 1 . ASP 9 9 28135 1 . ARG 10 10 28135 1 . ASP 11 11 28135 1 . ASP 12 12 28135 1 . LYS 13 13 28135 1 . GLU 14 14 28135 1 . ALA 15 15 28135 1 . PRO 16 16 28135 1 . ASP 17 17 28135 1 . SER 18 18 28135 1 . ASP 19 19 28135 1 . ALA 20 20 28135 1 . GLU 21 21 28135 1 . GLY 22 22 28135 1 . TYR 23 23 28135 1 . VAL 24 24 28135 1 . GLU 25 25 28135 1 . GLY 26 26 28135 1 . LEU 27 27 28135 1 . ASP 28 28 28135 1 . ASP 29 29 28135 1 . GLU 30 30 28135 1 . GLU 31 31 28135 1 . GLU 32 32 28135 1 . ASP 33 33 28135 1 . GLU 34 34 28135 1 . ASP 35 35 28135 1 . GLU 36 36 28135 1 . GLU 37 37 28135 1 . GLU 38 38 28135 1 . TYR 39 39 28135 1 . ASP 40 40 28135 1 . GLU 41 41 28135 1 . ASP 42 42 28135 1 . ALA 43 43 28135 1 . GLN 44 44 28135 1 . VAL 45 45 28135 1 . VAL 46 46 28135 1 . GLU 47 47 28135 1 . ASP 48 48 28135 1 . GLU 49 49 28135 1 . GLU 50 50 28135 1 . ASP 51 51 28135 1 . GLU 52 52 28135 1 . ASP 53 53 28135 1 . GLU 54 54 28135 1 . GLU 55 55 28135 1 . GLU 56 56 28135 1 . GLU 57 57 28135 1 . GLY 58 58 28135 1 . GLU 59 59 28135 1 . GLU 60 60 28135 1 . GLU 61 61 28135 1 . ASP 62 62 28135 1 . VAL 63 63 28135 1 . SER 64 64 28135 1 . GLY 65 65 28135 1 . GLU 66 66 28135 1 . GLU 67 67 28135 1 . GLU 68 68 28135 1 . GLU 69 69 28135 1 . ASP 70 70 28135 1 . GLU 71 71 28135 1 . GLU 72 72 28135 1 . GLY 73 73 28135 1 . TYR 74 74 28135 1 . ASN 75 75 28135 1 . ASP 76 76 28135 1 . GLY 77 77 28135 1 . GLU 78 78 28135 1 . VAL 79 79 28135 1 . ASP 80 80 28135 1 . ASP 81 81 28135 1 . GLU 82 82 28135 1 . GLU 83 83 28135 1 . ASP 84 84 28135 1 . GLU 85 85 28135 1 . GLU 86 86 28135 1 . GLU 87 87 28135 1 . PHE 88 88 28135 1 . GLY 89 89 28135 1 . GLU 90 90 28135 1 . GLU 91 91 28135 1 . GLU 92 92 28135 1 . ARG 93 93 28135 1 . GLY 94 94 28135 1 . GLN 95 95 28135 1 . LYS 96 96 28135 1 . ARG 97 97 28135 1 . LYS 98 98 28135 1 . ARG 99 99 28135 1 . GLU 100 100 28135 1 . PRO 101 101 28135 1 . GLU 102 102 28135 1 . ASP 103 103 28135 1 . GLU 104 104 28135 1 . GLY 105 105 28135 1 . GLU 106 106 28135 1 . ASP 107 107 28135 1 . ASP 108 108 28135 1 . ASP 109 109 28135 1 . ASP 110 110 28135 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28135 _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 $Instrinsically_disordered_domain_of_human_ANP32A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'human ANP32A' . 28135 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28135 _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 $Instrinsically_disordered_domain_of_human_ANP32A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . phIDD . . . 28135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28135 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5' _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 'Instrinsically disordered domain of human ANP32A' '[U-99% 13C; U-99% 15N]' . . 1 $Instrinsically_disordered_domain_of_human_ANP32A . . 0.7 . . mM . . . . 28135 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 28135 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 28135 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 28135 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 28135 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 28135 1 pH 6.5 . pH 28135 1 pressure 1 . atm 28135 1 temperature 293.1 . K 28135 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28135 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' . 28135 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 28135 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cryo TCI (1H, 13C, 15N, 2H), 5 mm, z-gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28135 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 'Cryo TCI (1H, 13C, 15N, 2H), 5 mm, z-gradients' . . 28135 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28135 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 28135 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28135 1 3 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28135 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28135 1 5 '3D iHNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28135 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28135 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . Hz 3993.94 internal indirect . . . . . . 28135 1 H 1 water protons . . . . Hz 3993.94 internal direct 1.0 . . . . . 28135 1 N 15 water protons . . . . Hz 3993.94 internal indirect . . . . . . 28135 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28135 1 2 '3D HNCO' . . . 28135 1 3 '3D HCACO' . . . 28135 1 4 '3D HN(CO)CA' . . . 28135 1 5 '3D iHNCA' . . . 28135 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 11 11 ASP H H 1 8.433 . . . . . . . . 151 ASP H . 28135 1 2 . 1 . 1 11 11 ASP C C 13 175.988 . . . . . . . . 151 ASP CO . 28135 1 3 . 1 . 1 11 11 ASP CA C 13 54.419 . . . . . . . . 151 ASP CA . 28135 1 4 . 1 . 1 11 11 ASP N N 15 121.392 . . . . . . . . 151 ASP N . 28135 1 5 . 1 . 1 12 12 ASP H H 1 8.262 . . . . . . . . 152 ASP H . 28135 1 6 . 1 . 1 12 12 ASP C C 13 176.332 . . . . . . . . 152 ASP CO . 28135 1 7 . 1 . 1 12 12 ASP CA C 13 54.309 . . . . . . . . 152 ASP CA . 28135 1 8 . 1 . 1 12 12 ASP N N 15 120.800 . . . . . . . . 152 ASP N . 28135 1 9 . 1 . 1 13 13 LYS H H 1 8.208 . . . . . . . . 153 LYS H . 28135 1 10 . 1 . 1 13 13 LYS C C 13 176.659 . . . . . . . . 153 LYS CO . 28135 1 11 . 1 . 1 13 13 LYS CA C 13 56.385 . . . . . . . . 153 LYS CA . 28135 1 12 . 1 . 1 13 13 LYS N N 15 120.987 . . . . . . . . 153 LYS N . 28135 1 13 . 1 . 1 14 14 GLU H H 1 8.352 . . . . . . . . 154 GLU H . 28135 1 14 . 1 . 1 14 14 GLU C C 13 175.872 . . . . . . . . 154 GLU CO . 28135 1 15 . 1 . 1 14 14 GLU CA C 13 56.277 . . . . . . . . 154 GLU CA . 28135 1 16 . 1 . 1 14 14 GLU N N 15 121.347 . . . . . . . . 154 GLU N . 28135 1 17 . 1 . 1 15 15 ALA H H 1 8.266 . . . . . . . . 155 ALA H . 28135 1 18 . 1 . 1 15 15 ALA C C 13 175.440 . . . . . . . . 155 ALA CO . 28135 1 19 . 1 . 1 15 15 ALA CA C 13 50.457 . . . . . . . . 155 ALA CA . 28135 1 20 . 1 . 1 15 15 ALA N N 15 126.181 . . . . . . . . 155 ALA N . 28135 1 21 . 1 . 1 17 17 ASP H H 1 8.451 . . . . . . . . 157 ASP H . 28135 1 22 . 1 . 1 17 17 ASP C C 13 176.512 . . . . . . . . 157 ASP CO . 28135 1 23 . 1 . 1 17 17 ASP CA C 13 54.306 . . . . . . . . 157 ASP CA . 28135 1 24 . 1 . 1 17 17 ASP N N 15 120.532 . . . . . . . . 157 ASP N . 28135 1 25 . 1 . 1 18 18 SER H H 1 8.225 . . . . . . . . 158 SER H . 28135 1 26 . 1 . 1 18 18 SER C C 13 174.486 . . . . . . . . 158 SER CO . 28135 1 27 . 1 . 1 18 18 SER CA C 13 58.695 . . . . . . . . 158 SER CA . 28135 1 28 . 1 . 1 18 18 SER N N 15 116.017 . . . . . . . . 158 SER N . 28135 1 29 . 1 . 1 19 19 ASP H H 1 8.380 . . . . . . . . 159 ASP H . 28135 1 30 . 1 . 1 19 19 ASP C C 13 176.190 . . . . . . . . 159 ASP CO . 28135 1 31 . 1 . 1 19 19 ASP CA C 13 54.300 . . . . . . . . 159 ASP CA . 28135 1 32 . 1 . 1 19 19 ASP N N 15 122.253 . . . . . . . . 159 ASP N . 28135 1 33 . 1 . 1 20 20 ALA H H 1 8.068 . . . . . . . . 160 ALA H . 28135 1 34 . 1 . 1 20 20 ALA C C 13 178.020 . . . . . . . . 160 ALA CO . 28135 1 35 . 1 . 1 20 20 ALA CA C 13 52.770 . . . . . . . . 160 ALA CA . 28135 1 36 . 1 . 1 20 20 ALA N N 15 123.985 . . . . . . . . 160 ALA N . 28135 1 37 . 1 . 1 21 21 GLU H H 1 8.370 . . . . . . . . 161 GLU H . 28135 1 38 . 1 . 1 21 21 GLU C C 13 177.133 . . . . . . . . 161 GLU CO . 28135 1 39 . 1 . 1 21 21 GLU CA C 13 56.941 . . . . . . . . 161 GLU CA . 28135 1 40 . 1 . 1 21 21 GLU N N 15 120.050 . . . . . . . . 161 GLU N . 28135 1 41 . 1 . 1 22 22 GLY H H 1 8.357 . . . . . . . . 162 GLY H . 28135 1 42 . 1 . 1 22 22 GLY C C 13 173.616 . . . . . . . . 162 GLY CO . 28135 1 43 . 1 . 1 22 22 GLY CA C 13 65.247 . . . . . . . . 162 GLY CA . 28135 1 44 . 1 . 1 22 22 GLY N N 15 109.771 . . . . . . . . 162 GLY N . 28135 1 45 . 1 . 1 23 23 TYR H H 1 8.009 . . . . . . . . 163 TYR H . 28135 1 46 . 1 . 1 23 23 TYR C C 13 175.408 . . . . . . . . 163 TYR CO . 28135 1 47 . 1 . 1 23 23 TYR CA C 13 58.297 . . . . . . . . 163 TYR CA . 28135 1 48 . 1 . 1 23 23 TYR N N 15 120.987 . . . . . . . . 163 TYR N . 28135 1 49 . 1 . 1 24 24 VAL H H 1 7.960 . . . . . . . . 164 VAL H . 28135 1 50 . 1 . 1 24 24 VAL C C 13 175.138 . . . . . . . . 164 VAL CO . 28135 1 51 . 1 . 1 24 24 VAL CA C 13 61.683 . . . . . . . . 164 VAL CA . 28135 1 52 . 1 . 1 24 24 VAL N N 15 125.125 . . . . . . . . 164 VAL N . 28135 1 53 . 1 . 1 25 25 GLU H H 1 8.401 . . . . . . . . 165 GLU H . 28135 1 54 . 1 . 1 25 25 GLU C C 13 176.800 . . . . . . . . 165 GLU CO . 28135 1 55 . 1 . 1 25 25 GLU CA C 13 56.763 . . . . . . . . 165 GLU CA . 28135 1 56 . 1 . 1 25 25 GLU N N 15 125.722 . . . . . . . . 165 GLU N . 28135 1 57 . 1 . 1 26 26 GLY H H 1 8.474 . . . . . . . . 166 GLY H . 28135 1 58 . 1 . 1 26 26 GLY C C 13 174.073 . . . . . . . . 166 GLY CO . 28135 1 59 . 1 . 1 26 26 GLY CA C 13 65.405 . . . . . . . . 166 GLY CA . 28135 1 60 . 1 . 1 26 26 GLY N N 15 110.797 . . . . . . . . 166 GLY N . 28135 1 61 . 1 . 1 27 27 LEU H H 1 8.113 . . . . . . . . 167 LEU H . 28135 1 62 . 1 . 1 27 27 LEU C C 13 177.211 . . . . . . . . 167 LEU CO . 28135 1 63 . 1 . 1 27 27 LEU CA C 13 55.044 . . . . . . . . 167 LEU CA . 28135 1 64 . 1 . 1 27 27 LEU N N 15 121.822 . . . . . . . . 167 LEU N . 28135 1 65 . 1 . 1 28 28 ASP H H 1 8.404 . . . . . . . . 168 ASP H . 28135 1 66 . 1 . 1 28 28 ASP C C 13 175.881 . . . . . . . . 168 ASP CO . 28135 1 67 . 1 . 1 28 28 ASP CA C 13 54.293 . . . . . . . . 168 ASP CA . 28135 1 68 . 1 . 1 28 28 ASP N N 15 121.085 . . . . . . . . 168 ASP N . 28135 1 69 . 1 . 1 29 29 ASP H H 1 8.257 . . . . . . . . 169 ASP H . 28135 1 70 . 1 . 1 29 29 ASP C C 13 176.215 . . . . . . . . 169 ASP CO . 28135 1 71 . 1 . 1 29 29 ASP CA C 13 54.365 . . . . . . . . 169 ASP CA . 28135 1 72 . 1 . 1 29 29 ASP N N 15 120.821 . . . . . . . . 169 ASP N . 28135 1 73 . 1 . 1 30 30 GLU H H 1 8.370 . . . . . . . . 170 GLU H . 28135 1 74 . 1 . 1 30 30 GLU C C 13 176.430 . . . . . . . . 170 GLU CO . 28135 1 75 . 1 . 1 30 30 GLU CA C 13 56.431 . . . . . . . . 170 GLU CA . 28135 1 76 . 1 . 1 30 30 GLU N N 15 121.193 . . . . . . . . 170 GLU N . 28135 1 77 . 1 . 1 31 31 GLU H H 1 8.451 . . . . . . . . 171 GLU H . 28135 1 78 . 1 . 1 31 31 GLU C C 13 176.332 . . . . . . . . 171 GLU CO . 28135 1 79 . 1 . 1 31 31 GLU CA C 13 56.316 . . . . . . . . 171 GLU CA . 28135 1 80 . 1 . 1 31 31 GLU N N 15 122.464 . . . . . . . . 171 GLU N . 28135 1 81 . 1 . 1 36 36 GLU H H 1 8.431 . . . . . . . . 176 GLU H . 28135 1 82 . 1 . 1 36 36 GLU C C 13 176.36200 . . . . . . . . 176 GLU CO . 28135 1 83 . 1 . 1 36 36 GLU CA C 13 56.313 . . . . . . . . 176 GLU CA . 28135 1 84 . 1 . 1 36 36 GLU N N 15 122.104 . . . . . . . . 176 GLU N . 28135 1 85 . 1 . 1 37 37 GLU H H 1 8.463 . . . . . . . . 177 GLU H . 28135 1 86 . 1 . 1 37 37 GLU C C 13 176.04100 . . . . . . . . 177 GLU CO . 28135 1 87 . 1 . 1 37 37 GLU CA C 13 56.397 . . . . . . . . 177 GLU CA . 28135 1 88 . 1 . 1 37 37 GLU N N 15 122.886 . . . . . . . . 177 GLU N . 28135 1 89 . 1 . 1 38 38 GLU H H 1 8.409 . . . . . . . . 178 GLU H . 28135 1 90 . 1 . 1 38 38 GLU C C 13 175.78500 . . . . . . . . 178 GLU CO . 28135 1 91 . 1 . 1 38 38 GLU CA C 13 56.111 . . . . . . . . 178 GLU CA . 28135 1 92 . 1 . 1 38 38 GLU N N 15 122.807 . . . . . . . . 178 GLU N . 28135 1 93 . 1 . 1 39 39 TYR H H 1 8.357 . . . . . . . . 179 TYR H . 28135 1 94 . 1 . 1 39 39 TYR C C 13 175.02100 . . . . . . . . 179 TYR CO . 28135 1 95 . 1 . 1 39 39 TYR CA C 13 57.607 . . . . . . . . 179 TYR CA . 28135 1 96 . 1 . 1 39 39 TYR N N 15 122.797 . . . . . . . . 179 TYR N . 28135 1 97 . 1 . 1 40 40 ASP H H 1 8.334 . . . . . . . . 180 ASP H . 28135 1 98 . 1 . 1 40 40 ASP C C 13 176.06900 . . . . . . . . 180 ASP CO . 28135 1 99 . 1 . 1 40 40 ASP CA C 13 53.597 . . . . . . . . 180 ASP CA . 28135 1 100 . 1 . 1 40 40 ASP N N 15 124.109 . . . . . . . . 180 ASP N . 28135 1 101 . 1 . 1 41 41 GLU H H 1 8.465 . . . . . . . . 181 GLU H . 28135 1 102 . 1 . 1 41 41 GLU C C 13 176.49500 . . . . . . . . 181 GLU CO . 28135 1 103 . 1 . 1 41 41 GLU CA C 13 57.134 . . . . . . . . 181 GLU CA . 28135 1 104 . 1 . 1 41 41 GLU N N 15 123.129 . . . . . . . . 181 GLU N . 28135 1 105 . 1 . 1 42 42 ASP H H 1 8.392 . . . . . . . . 182 ASP H . 28135 1 106 . 1 . 1 42 42 ASP C C 13 176.05500 . . . . . . . . 182 ASP CO . 28135 1 107 . 1 . 1 42 42 ASP CA C 13 54.518 . . . . . . . . 182 ASP CA . 28135 1 108 . 1 . 1 42 42 ASP N N 15 120.862 . . . . . . . . 182 ASP N . 28135 1 109 . 1 . 1 43 43 ALA H H 1 7.943 . . . . . . . . 183 ALA H . 28135 1 110 . 1 . 1 43 43 ALA C C 13 177.63100 . . . . . . . . 183 ALA CO . 28135 1 111 . 1 . 1 43 43 ALA CA C 13 52.494 . . . . . . . . 183 ALA CA . 28135 1 112 . 1 . 1 43 43 ALA N N 15 124.027 . . . . . . . . 183 ALA N . 28135 1 113 . 1 . 1 44 44 GLN H H 1 8.267 . . . . . . . . 184 GLN H . 28135 1 114 . 1 . 1 44 44 GLN C C 13 175.85000 . . . . . . . . 184 GLN CO . 28135 1 115 . 1 . 1 44 44 GLN CA C 13 55.580 . . . . . . . . 184 GLN CA . 28135 1 116 . 1 . 1 44 44 GLN N N 15 119.880 . . . . . . . . 184 GLN N . 28135 1 117 . 1 . 1 45 45 VAL H H 1 8.266 . . . . . . . . 185 VAL H . 28135 1 118 . 1 . 1 45 45 VAL C C 13 175.96800 . . . . . . . . 185 VAL CO . 28135 1 119 . 1 . 1 45 45 VAL CA C 13 62.363 . . . . . . . . 185 VAL CA . 28135 1 120 . 1 . 1 45 45 VAL N N 15 123.066 . . . . . . . . 185 VAL N . 28135 1 121 . 1 . 1 46 46 VAL H H 1 8.372 . . . . . . . . 186 VAL H . 28135 1 122 . 1 . 1 46 46 VAL C C 13 175.95100 . . . . . . . . 186 VAL CO . 28135 1 123 . 1 . 1 46 46 VAL CA C 13 62.029 . . . . . . . . 186 VAL CA . 28135 1 124 . 1 . 1 46 46 VAL N N 15 125.871 . . . . . . . . 186 VAL N . 28135 1 125 . 1 . 1 47 47 GLU H H 1 8.586 . . . . . . . . 187 GLU H . 28135 1 126 . 1 . 1 47 47 GLU C C 13 175.93300 . . . . . . . . 187 GLU CO . 28135 1 127 . 1 . 1 47 47 GLU CA C 13 56.220 . . . . . . . . 187 GLU CA . 28135 1 128 . 1 . 1 47 47 GLU N N 15 126.031 . . . . . . . . 187 GLU N . 28135 1 129 . 1 . 1 57 57 GLU H H 1 8.610 . . . . . . . . 197 GLU H . 28135 1 130 . 1 . 1 57 57 GLU C C 13 176.893 . . . . . . . . 197 GLU CO . 28135 1 131 . 1 . 1 57 57 GLU CA C 13 56.636 . . . . . . . . 197 GLU CA . 28135 1 132 . 1 . 1 57 57 GLU N N 15 123.488 . . . . . . . . 197 GLU N . 28135 1 133 . 1 . 1 58 58 GLY H H 1 8.501 . . . . . . . . 198 GLY H . 28135 1 134 . 1 . 1 58 58 GLY C C 13 173.777 . . . . . . . . 198 GLY CO . 28135 1 135 . 1 . 1 58 58 GLY CA C 13 65.048 . . . . . . . . 198 GLY CA . 28135 1 136 . 1 . 1 58 58 GLY N N 15 110.668 . . . . . . . . 198 GLY N . 28135 1 137 . 1 . 1 59 59 GLU H H 1 8.375 . . . . . . . . 199 GLU H . 28135 1 138 . 1 . 1 59 59 GLU C C 13 176.500 . . . . . . . . 199 GLU CO . 28135 1 139 . 1 . 1 59 59 GLU CA C 13 56.062 . . . . . . . . 199 GLU CA . 28135 1 140 . 1 . 1 59 59 GLU N N 15 120.726 . . . . . . . . 199 GLU N . 28135 1 141 . 1 . 1 60 60 GLU H H 1 8.593 . . . . . . . . 200 GLU H . 28135 1 142 . 1 . 1 60 60 GLU C C 13 176.385 . . . . . . . . 200 GLU CO . 28135 1 143 . 1 . 1 60 60 GLU CA C 13 56.398 . . . . . . . . 200 GLU CA . 28135 1 144 . 1 . 1 60 60 GLU N N 15 122.826 . . . . . . . . 200 GLU N . 28135 1 145 . 1 . 1 61 61 GLU H H 1 8.532 . . . . . . . . 201 GLU H . 28135 1 146 . 1 . 1 61 61 GLU C C 13 175.999 . . . . . . . . 201 GLU CO . 28135 1 147 . 1 . 1 61 61 GLU CA C 13 56.343 . . . . . . . . 201 GLU CA . 28135 1 148 . 1 . 1 61 61 GLU N N 15 123.029 . . . . . . . . 201 GLU N . 28135 1 149 . 1 . 1 62 62 ASP H H 1 8.559 . . . . . . . . 202 ASP H . 28135 1 150 . 1 . 1 62 62 ASP C C 13 176.241 . . . . . . . . 202 ASP CO . 28135 1 151 . 1 . 1 62 62 ASP CA C 13 54.139 . . . . . . . . 202 ASP CA . 28135 1 152 . 1 . 1 62 62 ASP N N 15 122.904 . . . . . . . . 202 ASP N . 28135 1 153 . 1 . 1 63 63 VAL H H 1 8.250 . . . . . . . . 203 VAL H . 28135 1 154 . 1 . 1 63 63 VAL C C 13 176.433 . . . . . . . . 203 VAL CO . 28135 1 155 . 1 . 1 63 63 VAL CA C 13 61.710 . . . . . . . . 203 VAL CA . 28135 1 156 . 1 . 1 63 63 VAL N N 15 120.826 . . . . . . . . 203 VAL N . 28135 1 157 . 1 . 1 64 64 SER H H 1 8.542 . . . . . . . . 204 SER H . 28135 1 158 . 1 . 1 64 64 SER C C 13 175.172 . . . . . . . . 204 SER CO . 28135 1 159 . 1 . 1 64 64 SER CA C 13 58.821 . . . . . . . . 204 SER CA . 28135 1 160 . 1 . 1 64 64 SER N N 15 120.195 . . . . . . . . 204 SER N . 28135 1 161 . 1 . 1 65 65 GLY H H 1 8.507 . . . . . . . . 205 GLY H . 28135 1 162 . 1 . 1 65 65 GLY C C 13 174.080 . . . . . . . . 205 GLY CO . 28135 1 163 . 1 . 1 65 65 GLY CA C 13 65.293 . . . . . . . . 205 GLY CA . 28135 1 164 . 1 . 1 65 65 GLY N N 15 111.274 . . . . . . . . 205 GLY N . 28135 1 165 . 1 . 1 66 66 GLU H H 1 8.288 . . . . . . . . 206 GLU H . 28135 1 166 . 1 . 1 66 66 GLU C C 13 176.530 . . . . . . . . 206 GLU CO . 28135 1 167 . 1 . 1 66 66 GLU CA C 13 56.301 . . . . . . . . 206 GLU CA . 28135 1 168 . 1 . 1 66 66 GLU N N 15 120.476 . . . . . . . . 206 GLU N . 28135 1 169 . 1 . 1 67 67 GLU H H 1 8.545 . . . . . . . . 207 GLU H . 28135 1 170 . 1 . 1 67 67 GLU C C 13 176.426 . . . . . . . . 207 GLU CO . 28135 1 171 . 1 . 1 67 67 GLU CA C 13 56.447 . . . . . . . . 207 GLU CA . 28135 1 172 . 1 . 1 67 67 GLU N N 15 122.108 . . . . . . . . 207 GLU N . 28135 1 173 . 1 . 1 68 68 GLU H H 1 8.449 . . . . . . . . 208 GLU H . 28135 1 174 . 1 . 1 68 68 GLU C C 13 176.132 . . . . . . . . 208 GLU CO . 28135 1 175 . 1 . 1 68 68 GLU CA C 13 56.317 . . . . . . . . 208 GLU CA . 28135 1 176 . 1 . 1 68 68 GLU N N 15 122.338 . . . . . . . . 208 GLU N . 28135 1 177 . 1 . 1 72 72 GLU H H 1 8.528 . . . . . . . . 212 GLU H . 28135 1 178 . 1 . 1 72 72 GLU C C 13 177.069 . . . . . . . . 212 GLU CO . 28135 1 179 . 1 . 1 72 72 GLU CA C 13 56.966 . . . . . . . . 212 GLU CA . 28135 1 180 . 1 . 1 72 72 GLU N N 15 122.442 . . . . . . . . 212 GLU N . 28135 1 181 . 1 . 1 73 73 GLY H H 1 8.399 . . . . . . . . 213 GLY H . 28135 1 182 . 1 . 1 73 73 GLY C C 13 173.824 . . . . . . . . 213 GLY CO . 28135 1 183 . 1 . 1 73 73 GLY CA C 13 65.250 . . . . . . . . 213 GLY CA . 28135 1 184 . 1 . 1 73 73 GLY N N 15 109.995 . . . . . . . . 213 GLY N . 28135 1 185 . 1 . 1 74 74 TYR H H 1 8.103 . . . . . . . . 214 TYR H . 28135 1 186 . 1 . 1 74 74 TYR C C 13 175.578 . . . . . . . . 214 TYR CO . 28135 1 187 . 1 . 1 74 74 TYR CA C 13 58.028 . . . . . . . . 214 TYR CA . 28135 1 188 . 1 . 1 74 74 TYR N N 15 120.394 . . . . . . . . 214 TYR N . 28135 1 189 . 1 . 1 75 75 ASN H H 1 8.383 . . . . . . . . 215 ASN H . 28135 1 190 . 1 . 1 75 75 ASN C C 13 174.515 . . . . . . . . 215 ASN CO . 28135 1 191 . 1 . 1 75 75 ASN CA C 13 52.875 . . . . . . . . 215 ASN CA . 28135 1 192 . 1 . 1 75 75 ASN N N 15 121.696 . . . . . . . . 215 ASN N . 28135 1 193 . 1 . 1 76 76 ASP H H 1 8.251 . . . . . . . . 216 ASP H . 28135 1 194 . 1 . 1 76 76 ASP C C 13 176.623 . . . . . . . . 216 ASP CO . 28135 1 195 . 1 . 1 76 76 ASP CA C 13 54.531 . . . . . . . . 216 ASP CA . 28135 1 196 . 1 . 1 76 76 ASP N N 15 121.734 . . . . . . . . 216 ASP N . 28135 1 197 . 1 . 1 77 77 GLY H H 1 8.309 . . . . . . . . 217 GLY H . 28135 1 198 . 1 . 1 77 77 GLY C C 13 174.086 . . . . . . . . 217 GLY CO . 28135 1 199 . 1 . 1 77 77 GLY CA C 13 65.335 . . . . . . . . 217 GLY CA . 28135 1 200 . 1 . 1 77 77 GLY N N 15 108.988 . . . . . . . . 217 GLY N . 28135 1 201 . 1 . 1 78 78 GLU H H 1 8.228 . . . . . . . . 218 GLU H . 28135 1 202 . 1 . 1 78 78 GLU C C 13 176.480 . . . . . . . . 218 GLU CO . 28135 1 203 . 1 . 1 78 78 GLU CA C 13 56.314 . . . . . . . . 218 GLU CA . 28135 1 204 . 1 . 1 78 78 GLU N N 15 120.803 . . . . . . . . 218 GLU N . 28135 1 205 . 1 . 1 79 79 VAL H H 1 8.249 . . . . . . . . 219 VAL H . 28135 1 206 . 1 . 1 79 79 VAL C C 13 175.729 . . . . . . . . 219 VAL CO . 28135 1 207 . 1 . 1 79 79 VAL CA C 13 61.779 . . . . . . . . 219 VAL CA . 28135 1 208 . 1 . 1 79 79 VAL N N 15 121.127 . . . . . . . . 219 VAL N . 28135 1 209 . 1 . 1 80 80 ASP H H 1 8.464 . . . . . . . . 220 ASP H . 28135 1 210 . 1 . 1 80 80 ASP C C 13 175.846 . . . . . . . . 220 ASP CO . 28135 1 211 . 1 . 1 80 80 ASP CA C 13 54.154 . . . . . . . . 220 ASP CA . 28135 1 212 . 1 . 1 80 80 ASP N N 15 124.902 . . . . . . . . 220 ASP N . 28135 1 213 . 1 . 1 81 81 ASP H H 1 8.354 . . . . . . . . 221 ASP H . 28135 1 214 . 1 . 1 81 81 ASP C C 13 176.213 . . . . . . . . 221 ASP CO . 28135 1 215 . 1 . 1 81 81 ASP CA C 13 54.289 . . . . . . . . 221 ASP CA . 28135 1 216 . 1 . 1 81 81 ASP N N 15 121.758 . . . . . . . . 221 ASP N . 28135 1 217 . 1 . 1 82 82 GLU H H 1 8.409 . . . . . . . . 222 GLU H . 28135 1 218 . 1 . 1 82 82 GLU C C 13 176.469 . . . . . . . . 222 GLU CO . 28135 1 219 . 1 . 1 82 82 GLU CA C 13 56.476 . . . . . . . . 222 GLU CA . 28135 1 220 . 1 . 1 82 82 GLU N N 15 121.384 . . . . . . . . 222 GLU N . 28135 1 221 . 1 . 1 88 88 PHE H H 1 8.330 . . . . . . . . 228 PHE H . 28135 1 222 . 1 . 1 88 88 PHE C C 13 177.993 . . . . . . . . 228 PHE CO . 28135 1 223 . 1 . 1 88 88 PHE CA C 13 55.189 . . . . . . . . 228 PHE CA . 28135 1 224 . 1 . 1 88 88 PHE N N 15 123.984 . . . . . . . . 228 PHE N . 28135 1 225 . 1 . 1 89 89 GLY H H 1 8.573 . . . . . . . . 229 GLY H . 28135 1 226 . 1 . 1 89 89 GLY C C 13 174.384 . . . . . . . . 229 GLY CO . 28135 1 227 . 1 . 1 89 89 GLY CA C 13 65.221 . . . . . . . . 229 GLY CA . 28135 1 228 . 1 . 1 89 89 GLY N N 15 109.926 . . . . . . . . 229 GLY N . 28135 1 229 . 1 . 1 90 90 GLU H H 1 8.435 . . . . . . . . 230 GLU H . 28135 1 230 . 1 . 1 90 90 GLU C C 13 177.442 . . . . . . . . 230 GLU CO . 28135 1 231 . 1 . 1 90 90 GLU CA C 13 57.498 . . . . . . . . 230 GLU CA . 28135 1 232 . 1 . 1 90 90 GLU N N 15 120.682 . . . . . . . . 230 GLU N . 28135 1 233 . 1 . 1 91 91 GLU H H 1 8.662 . . . . . . . . 231 GLU H . 28135 1 234 . 1 . 1 91 91 GLU C C 13 177.166 . . . . . . . . 231 GLU CO . 28135 1 235 . 1 . 1 91 91 GLU CA C 13 57.519 . . . . . . . . 231 GLU CA . 28135 1 236 . 1 . 1 91 91 GLU N N 15 120.803 . . . . . . . . 231 GLU N . 28135 1 237 . 1 . 1 92 92 GLU H H 1 8.370 . . . . . . . . 232 GLU H . 28135 1 238 . 1 . 1 92 92 GLU C C 13 176.991 . . . . . . . . 232 GLU CO . 28135 1 239 . 1 . 1 92 92 GLU CA C 13 57.191 . . . . . . . . 232 GLU CA . 28135 1 240 . 1 . 1 92 92 GLU N N 15 121.068 . . . . . . . . 232 GLU N . 28135 1 241 . 1 . 1 93 93 ARG H H 1 8.289 . . . . . . . . 233 ARG H . 28135 1 242 . 1 . 1 93 93 ARG C C 13 177.305 . . . . . . . . 233 ARG CO . 28135 1 243 . 1 . 1 93 93 ARG CA C 13 56.964 . . . . . . . . 233 ARG CA . 28135 1 244 . 1 . 1 93 93 ARG N N 15 121.341 . . . . . . . . 233 ARG N . 28135 1 245 . 1 . 1 94 94 GLY H H 1 8.444 . . . . . . . . 234 GLY H . 28135 1 246 . 1 . 1 94 94 GLY C C 13 174.445 . . . . . . . . 234 GLY CO . 28135 1 247 . 1 . 1 94 94 GLY CA C 13 65.613 . . . . . . . . 234 GLY CA . 28135 1 248 . 1 . 1 94 94 GLY N N 15 109.181 . . . . . . . . 234 GLY N . 28135 1 249 . 1 . 1 95 95 GLN H H 1 8.172 . . . . . . . . 235 GLN H . 28135 1 250 . 1 . 1 95 95 GLN C C 13 176.196 . . . . . . . . 235 GLN CO . 28135 1 251 . 1 . 1 95 95 GLN CA C 13 55.918 . . . . . . . . 235 GLN CA . 28135 1 252 . 1 . 1 95 95 GLN N N 15 119.659 . . . . . . . . 235 GLN N . 28135 1 253 . 1 . 1 96 96 LYS H H 1 8.325 . . . . . . . . 236 LYS H . 28135 1 254 . 1 . 1 96 96 LYS C C 13 176.600 . . . . . . . . 236 LYS CO . 28135 1 255 . 1 . 1 96 96 LYS CA C 13 56.486 . . . . . . . . 236 LYS CA . 28135 1 256 . 1 . 1 96 96 LYS N N 15 122.248 . . . . . . . . 236 LYS N . 28135 1 257 . 1 . 1 97 97 ARG H H 1 8.356 . . . . . . . . 237 ARG H . 28135 1 258 . 1 . 1 97 97 ARG C C 13 176.169 . . . . . . . . 237 ARG CO . 28135 1 259 . 1 . 1 97 97 ARG CA C 13 56.041 . . . . . . . . 237 ARG CA . 28135 1 260 . 1 . 1 97 97 ARG N N 15 122.556 . . . . . . . . 237 ARG N . 28135 1 261 . 1 . 1 98 98 LYS H H 1 8.426 . . . . . . . . 238 LYS H . 28135 1 262 . 1 . 1 98 98 LYS C C 13 176.277 . . . . . . . . 238 LYS CO . 28135 1 263 . 1 . 1 98 98 LYS CA C 13 56.370 . . . . . . . . 238 LYS CA . 28135 1 264 . 1 . 1 98 98 LYS N N 15 123.704 . . . . . . . . 238 LYS N . 28135 1 265 . 1 . 1 99 99 ARG H H 1 8.445 . . . . . . . . 239 ARG H . 28135 1 266 . 1 . 1 99 99 ARG C C 13 176.099 . . . . . . . . 239 ARG CO . 28135 1 267 . 1 . 1 99 99 ARG CA C 13 55.920 . . . . . . . . 239 ARG CA . 28135 1 268 . 1 . 1 99 99 ARG N N 15 123.327 . . . . . . . . 239 ARG N . 28135 1 269 . 1 . 1 100 100 GLU H H 1 8.627 . . . . . . . . 240 GLU H . 28135 1 270 . 1 . 1 100 100 GLU C C 13 174.984 . . . . . . . . 240 GLU CO . 28135 1 271 . 1 . 1 100 100 GLU CA C 13 54.387 . . . . . . . . 240 GLU CA . 28135 1 272 . 1 . 1 100 100 GLU N N 15 124.061 . . . . . . . . 240 GLU N . 28135 1 273 . 1 . 1 102 102 GLU H H 1 8.623 . . . . . . . . 242 GLU H . 28135 1 274 . 1 . 1 102 102 GLU C C 13 176.275 . . . . . . . . 242 GLU CO . 28135 1 275 . 1 . 1 102 102 GLU CA C 13 56.844 . . . . . . . . 242 GLU CA . 28135 1 276 . 1 . 1 102 102 GLU N N 15 119.042 . . . . . . . . 242 GLU N . 28135 1 277 . 1 . 1 103 103 ASP H H 1 8.190 . . . . . . . . 243 ASP H . 28135 1 278 . 1 . 1 103 103 ASP C C 13 176.234 . . . . . . . . 243 ASP CO . 28135 1 279 . 1 . 1 103 103 ASP CA C 13 54.412 . . . . . . . . 243 ASP CA . 28135 1 280 . 1 . 1 103 103 ASP N N 15 120.970 . . . . . . . . 243 ASP N . 28135 1 281 . 1 . 1 104 104 GLU H H 1 8.389 . . . . . . . . 244 GLU H . 28135 1 282 . 1 . 1 104 104 GLU C C 13 176.934 . . . . . . . . 244 GLU CO . 28135 1 283 . 1 . 1 104 104 GLU CA C 13 56.675 . . . . . . . . 244 GLU CA . 28135 1 284 . 1 . 1 104 104 GLU N N 15 121.620 . . . . . . . . 244 GLU N . 28135 1 285 . 1 . 1 105 105 GLY H H 1 8.475 . . . . . . . . 245 GLY H . 28135 1 286 . 1 . 1 105 105 GLY C C 13 173.977 . . . . . . . . 245 GLY CO . 28135 1 287 . 1 . 1 105 105 GLY CA C 13 65.238 . . . . . . . . 245 GLY CA . 28135 1 288 . 1 . 1 105 105 GLY N N 15 109.928 . . . . . . . . 245 GLY N . 28135 1 289 . 1 . 1 106 106 GLU H H 1 8.334 . . . . . . . . 246 GLU H . 28135 1 290 . 1 . 1 106 106 GLU C C 13 176.259 . . . . . . . . 246 GLU CO . 28135 1 291 . 1 . 1 106 106 GLU CA C 13 56.128 . . . . . . . . 246 GLU CA . 28135 1 292 . 1 . 1 106 106 GLU N N 15 120.297 . . . . . . . . 246 GLU N . 28135 1 293 . 1 . 1 107 107 ASP H H 1 8.492 . . . . . . . . 247 ASP H . 28135 1 294 . 1 . 1 107 107 ASP C C 13 175.909 . . . . . . . . 247 ASP CO . 28135 1 295 . 1 . 1 107 107 ASP CA C 13 54.349 . . . . . . . . 247 ASP CA . 28135 1 296 . 1 . 1 107 107 ASP N N 15 121.597 . . . . . . . . 247 ASP N . 28135 1 297 . 1 . 1 108 108 ASP H H 1 8.348 . . . . . . . . 248 ASP H . 28135 1 298 . 1 . 1 108 108 ASP C C 13 175.887 . . . . . . . . 248 ASP CO . 28135 1 299 . 1 . 1 108 108 ASP CA C 13 54.302 . . . . . . . . 248 ASP CA . 28135 1 300 . 1 . 1 108 108 ASP N N 15 121.076 . . . . . . . . 248 ASP N . 28135 1 301 . 1 . 1 109 109 ASP H H 1 8.348 . . . . . . . . 249 ASP H . 28135 1 302 . 1 . 1 109 109 ASP C C 13 175.257 . . . . . . . . 249 ASP CO . 28135 1 303 . 1 . 1 109 109 ASP CA C 13 54.307 . . . . . . . . 249 ASP CA . 28135 1 304 . 1 . 1 109 109 ASP N N 15 121.278 . . . . . . . . 249 ASP N . 28135 1 stop_ save_