data_51969 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51969 _Entry.Title ; ANAC013 161-274 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-18 _Entry.Accession_date 2023-05-18 _Entry.Last_release_date 2023-05-18 _Entry.Original_release_date 2023-05-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Elise Delaforge . . . 0000-0001-8014-5100 51969 2 Steffie Elkjaer . . . 0000-0001-6405-6319 51969 3 Amanda Due . D. . 0000-0002-1905-4311 51969 4 Martin Blackledge . . . 0000-0003-0935-721X 51969 5 Karen Skriver . . . 0000-0003-2225-4012 51969 6 Birthe Kragelund . B. . 0000-0003-2225-4012 51969 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Copenhagen University' . 51969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 51969 '15N chemical shifts' 87 51969 '1H chemical shifts' 87 51969 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-01-22 . original BMRB . 51969 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27034 '1H, 13C and 15N chemical shift assignments of A. thaliana RCD1(468-569)' 51969 BMRB 34151 'Solution structure of the complexed RCD1-RST' 51969 BMRB 50545 '1H, 13C and 15N NMR chemical shift assignment of A. thaliana RCD1 RST 487-589' 51969 BMRB 51056 'Chemical shifts and relaxation data from DREB2A with RCD1-RST' 51969 BMRB 51970 'Chemical shifts of RCD1-RST 499-572 in complex with ANAC013 161-274' 51969 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51969 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Allovalent scavenging of activation domains in the transcription factor ANAC013 gears transcriptional regulation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elise Delaforge . . . . 51969 1 2 Steffie Elkjaer . . . . 51969 1 3 Amanda Due . D. . . 51969 1 4 Martin Blackledge . . . . 51969 1 5 Karen Skriver . . . . 51969 1 6 Birthe Kragelund . B. . . 51969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51969 _Assembly.ID 1 _Assembly.Name 'ANAC013 161-274' _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 'ANAC013 161-274' 1 $entity_1 . . yes native no no . . . 51969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51969 _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 ; SGSGPKNGEQYGAPFIEEEW AEDDDDDVDEPANQLVVSAS VDNSLWGKGLNQSELDDNDI EELMSQVRDQSGPTLQQNGV SGLNSHVDTYNLENLEEDMY LEINDLMEPEPEPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S161-T274 _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 F4IED2 . NAC013 . . . . . . . . . . . . . . 51969 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 51969 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 1 161 SER . 51969 1 2 162 GLY . 51969 1 3 163 SER . 51969 1 4 164 GLY . 51969 1 5 165 PRO . 51969 1 6 166 LYS . 51969 1 7 167 ASN . 51969 1 8 168 GLY . 51969 1 9 169 GLU . 51969 1 10 170 GLN . 51969 1 11 171 TYR . 51969 1 12 172 GLY . 51969 1 13 173 ALA . 51969 1 14 174 PRO . 51969 1 15 175 PHE . 51969 1 16 176 ILE . 51969 1 17 177 GLU . 51969 1 18 178 GLU . 51969 1 19 179 GLU . 51969 1 20 180 TRP . 51969 1 21 181 ALA . 51969 1 22 182 GLU . 51969 1 23 183 ASP . 51969 1 24 184 ASP . 51969 1 25 185 ASP . 51969 1 26 186 ASP . 51969 1 27 187 ASP . 51969 1 28 188 VAL . 51969 1 29 189 ASP . 51969 1 30 190 GLU . 51969 1 31 191 PRO . 51969 1 32 192 ALA . 51969 1 33 193 ASN . 51969 1 34 194 GLN . 51969 1 35 195 LEU . 51969 1 36 196 VAL . 51969 1 37 197 VAL . 51969 1 38 198 SER . 51969 1 39 199 ALA . 51969 1 40 200 SER . 51969 1 41 201 VAL . 51969 1 42 202 ASP . 51969 1 43 203 ASN . 51969 1 44 204 SER . 51969 1 45 205 LEU . 51969 1 46 206 TRP . 51969 1 47 207 GLY . 51969 1 48 208 LYS . 51969 1 49 209 GLY . 51969 1 50 210 LEU . 51969 1 51 211 ASN . 51969 1 52 212 GLN . 51969 1 53 213 SER . 51969 1 54 214 GLU . 51969 1 55 215 LEU . 51969 1 56 216 ASP . 51969 1 57 217 ASP . 51969 1 58 218 ASN . 51969 1 59 219 ASP . 51969 1 60 220 ILE . 51969 1 61 221 GLU . 51969 1 62 222 GLU . 51969 1 63 223 LEU . 51969 1 64 224 MET . 51969 1 65 225 SER . 51969 1 66 226 GLN . 51969 1 67 227 VAL . 51969 1 68 228 ARG . 51969 1 69 229 ASP . 51969 1 70 230 GLN . 51969 1 71 231 SER . 51969 1 72 232 GLY . 51969 1 73 233 PRO . 51969 1 74 234 THR . 51969 1 75 235 LEU . 51969 1 76 236 GLN . 51969 1 77 237 GLN . 51969 1 78 238 ASN . 51969 1 79 239 GLY . 51969 1 80 240 VAL . 51969 1 81 241 SER . 51969 1 82 242 GLY . 51969 1 83 243 LEU . 51969 1 84 244 ASN . 51969 1 85 245 SER . 51969 1 86 246 HIS . 51969 1 87 247 VAL . 51969 1 88 248 ASP . 51969 1 89 249 THR . 51969 1 90 250 TYR . 51969 1 91 251 ASN . 51969 1 92 252 LEU . 51969 1 93 253 GLU . 51969 1 94 254 ASN . 51969 1 95 255 LEU . 51969 1 96 256 GLU . 51969 1 97 257 GLU . 51969 1 98 258 ASP . 51969 1 99 259 MET . 51969 1 100 260 TYR . 51969 1 101 261 LEU . 51969 1 102 262 GLU . 51969 1 103 263 ILE . 51969 1 104 264 ASN . 51969 1 105 265 ASP . 51969 1 106 266 LEU . 51969 1 107 267 MET . 51969 1 108 268 GLU . 51969 1 109 269 PRO . 51969 1 110 270 GLU . 51969 1 111 271 PRO . 51969 1 112 272 GLU . 51969 1 113 273 PRO . 51969 1 114 274 THR . 51969 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 51969 1 . GLY 2 2 51969 1 . SER 3 3 51969 1 . GLY 4 4 51969 1 . PRO 5 5 51969 1 . LYS 6 6 51969 1 . ASN 7 7 51969 1 . GLY 8 8 51969 1 . GLU 9 9 51969 1 . GLN 10 10 51969 1 . TYR 11 11 51969 1 . GLY 12 12 51969 1 . ALA 13 13 51969 1 . PRO 14 14 51969 1 . PHE 15 15 51969 1 . ILE 16 16 51969 1 . GLU 17 17 51969 1 . GLU 18 18 51969 1 . GLU 19 19 51969 1 . TRP 20 20 51969 1 . ALA 21 21 51969 1 . GLU 22 22 51969 1 . ASP 23 23 51969 1 . ASP 24 24 51969 1 . ASP 25 25 51969 1 . ASP 26 26 51969 1 . ASP 27 27 51969 1 . VAL 28 28 51969 1 . ASP 29 29 51969 1 . GLU 30 30 51969 1 . PRO 31 31 51969 1 . ALA 32 32 51969 1 . ASN 33 33 51969 1 . GLN 34 34 51969 1 . LEU 35 35 51969 1 . VAL 36 36 51969 1 . VAL 37 37 51969 1 . SER 38 38 51969 1 . ALA 39 39 51969 1 . SER 40 40 51969 1 . VAL 41 41 51969 1 . ASP 42 42 51969 1 . ASN 43 43 51969 1 . SER 44 44 51969 1 . LEU 45 45 51969 1 . TRP 46 46 51969 1 . GLY 47 47 51969 1 . LYS 48 48 51969 1 . GLY 49 49 51969 1 . LEU 50 50 51969 1 . ASN 51 51 51969 1 . GLN 52 52 51969 1 . SER 53 53 51969 1 . GLU 54 54 51969 1 . LEU 55 55 51969 1 . ASP 56 56 51969 1 . ASP 57 57 51969 1 . ASN 58 58 51969 1 . ASP 59 59 51969 1 . ILE 60 60 51969 1 . GLU 61 61 51969 1 . GLU 62 62 51969 1 . LEU 63 63 51969 1 . MET 64 64 51969 1 . SER 65 65 51969 1 . GLN 66 66 51969 1 . VAL 67 67 51969 1 . ARG 68 68 51969 1 . ASP 69 69 51969 1 . GLN 70 70 51969 1 . SER 71 71 51969 1 . GLY 72 72 51969 1 . PRO 73 73 51969 1 . THR 74 74 51969 1 . LEU 75 75 51969 1 . GLN 76 76 51969 1 . GLN 77 77 51969 1 . ASN 78 78 51969 1 . GLY 79 79 51969 1 . VAL 80 80 51969 1 . SER 81 81 51969 1 . GLY 82 82 51969 1 . LEU 83 83 51969 1 . ASN 84 84 51969 1 . SER 85 85 51969 1 . HIS 86 86 51969 1 . VAL 87 87 51969 1 . ASP 88 88 51969 1 . THR 89 89 51969 1 . TYR 90 90 51969 1 . ASN 91 91 51969 1 . LEU 92 92 51969 1 . GLU 93 93 51969 1 . ASN 94 94 51969 1 . LEU 95 95 51969 1 . GLU 96 96 51969 1 . GLU 97 97 51969 1 . ASP 98 98 51969 1 . MET 99 99 51969 1 . TYR 100 100 51969 1 . LEU 101 101 51969 1 . GLU 102 102 51969 1 . ILE 103 103 51969 1 . ASN 104 104 51969 1 . ASP 105 105 51969 1 . LEU 106 106 51969 1 . MET 107 107 51969 1 . GLU 108 108 51969 1 . PRO 109 109 51969 1 . GLU 110 110 51969 1 . PRO 111 111 51969 1 . GLU 112 112 51969 1 . PRO 113 113 51969 1 . THR 114 114 51969 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 51969 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT1G32870.1 . 51969 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 51969 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-24b . . 'His(6)-SUMO tag' 51969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51969 _Sample.ID 1 _Sample.Name 'ANAC013 161-274' _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 'ANAC013 161-274' '[U-13C; U-15N]' . . 1 $entity_1 . . 370 . . uM . . . . 51969 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 51969 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ANAC013 161-274 assignment sample' _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' 0.17 . M 51969 1 pH 7.4 . pH 51969 1 pressure 1 . atm 51969 1 temperature 283 . K 51969 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51969 _Software.ID 1 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51969 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51969 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51969 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51969 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51969 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD 750 NMR spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51969 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51969 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51969 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51969 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51969 1 5 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51969 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 51969 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ANAC013 161-274' _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 -0.0359 internal indirect 0.158 . . . . . 51969 1 H 1 DSS 'methyl protons' . . . . ppm -0.2272 internal direct 1 . . . . . 51969 1 N 15 DSS 'methyl protons' . . . . ppm -0.02272 internal indirect 0.1 . . . . . 51969 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 51969 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name atANAC013-161-274_cs _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 2 '3D HNCO' . . . 51969 1 3 '3D HN(CA)CO' . . . 51969 1 4 '3D HNCACB' . . . 51969 1 5 '3D HN(CO)CACB' . . . 51969 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 . . 51969 1 2 $software_2 . . 51969 1 3 $software_3 . . 51969 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 3 3 SER C C 13 174.515 . . . . . . . . 163 S CO . 51969 1 2 . 1 . 1 3 3 SER CA C 13 57.984 . . . . . . . . 163 S CA . 51969 1 3 . 1 . 1 3 3 SER CB C 13 63.871 . . . . . . . . 163 S CB . 51969 1 4 . 1 . 1 4 4 GLY H H 1 8.174 . . . . . . . . 164 G HN . 51969 1 5 . 1 . 1 4 4 GLY C C 13 177.507 . . . . . . . . 164 G CO . 51969 1 6 . 1 . 1 4 4 GLY CA C 13 44.456 . . . . . . . . 164 G CA . 51969 1 7 . 1 . 1 4 4 GLY N N 15 110.780 . . . . . . . . 164 G N . 51969 1 8 . 1 . 1 5 5 PRO C C 13 177.239 . . . . . . . . 165 P CO . 51969 1 9 . 1 . 1 5 5 PRO CA C 13 62.967 . . . . . . . . 165 P CA . 51969 1 10 . 1 . 1 5 5 PRO CB C 13 32.032 . . . . . . . . 165 P CB . 51969 1 11 . 1 . 1 6 6 LYS H H 1 8.411 . . . . . . . . 166 K HN . 51969 1 12 . 1 . 1 6 6 LYS C C 13 176.405 . . . . . . . . 166 K CO . 51969 1 13 . 1 . 1 6 6 LYS CA C 13 56.066 . . . . . . . . 166 K CA . 51969 1 14 . 1 . 1 6 6 LYS CB C 13 32.678 . . . . . . . . 166 K CB . 51969 1 15 . 1 . 1 6 6 LYS N N 15 121.792 . . . . . . . . 166 K N . 51969 1 16 . 1 . 1 8 8 GLY C C 13 174.204 . . . . . . . . 168 G CO . 51969 1 17 . 1 . 1 8 8 GLY CA C 13 45.239 . . . . . . . . 168 G CA . 51969 1 18 . 1 . 1 9 9 GLU H H 1 8.108 . . . . . . . . 169 E HN . 51969 1 19 . 1 . 1 9 9 GLU C C 13 176.359 . . . . . . . . 169 E CO . 51969 1 20 . 1 . 1 9 9 GLU CA C 13 56.513 . . . . . . . . 169 E CA . 51969 1 21 . 1 . 1 9 9 GLU CB C 13 29.918 . . . . . . . . 169 E CB . 51969 1 22 . 1 . 1 9 9 GLU N N 15 120.415 . . . . . . . . 169 E N . 51969 1 23 . 1 . 1 10 10 GLN H H 1 8.277 . . . . . . . . 170 Q HN . 51969 1 24 . 1 . 1 10 10 GLN C C 13 175.511 . . . . . . . . 170 Q CO . 51969 1 25 . 1 . 1 10 10 GLN CA C 13 55.603 . . . . . . . . 170 Q CA . 51969 1 26 . 1 . 1 10 10 GLN CB C 13 29.140 . . . . . . . . 170 Q CB . 51969 1 27 . 1 . 1 10 10 GLN N N 15 120.647 . . . . . . . . 170 Q N . 51969 1 28 . 1 . 1 11 11 TYR H H 1 8.105 . . . . . . . . 171 Y HN . 51969 1 29 . 1 . 1 11 11 TYR C C 13 176.150 . . . . . . . . 171 Y CO . 51969 1 30 . 1 . 1 11 11 TYR CA C 13 57.849 . . . . . . . . 171 Y CA . 51969 1 31 . 1 . 1 11 11 TYR N N 15 121.415 . . . . . . . . 171 Y N . 51969 1 32 . 1 . 1 12 12 GLY H H 1 8.117 . . . . . . . . 172 G HN . 51969 1 33 . 1 . 1 12 12 GLY C C 13 173.038 . . . . . . . . 172 G CO . 51969 1 34 . 1 . 1 12 12 GLY CA C 13 44.740 . . . . . . . . 172 G CA . 51969 1 35 . 1 . 1 12 12 GLY N N 15 110.801 . . . . . . . . 172 G N . 51969 1 36 . 1 . 1 13 13 ALA H H 1 7.887 . . . . . . . . 173 A HN . 51969 1 37 . 1 . 1 13 13 ALA C C 13 175.315 . . . . . . . . 173 A CO . 51969 1 38 . 1 . 1 13 13 ALA CA C 13 50.343 . . . . . . . . 173 A CA . 51969 1 39 . 1 . 1 13 13 ALA CB C 13 18.047 . . . . . . . . 173 A CB . 51969 1 40 . 1 . 1 13 13 ALA N N 15 124.822 . . . . . . . . 173 A N . 51969 1 41 . 1 . 1 14 14 PRO C C 13 176.228 . . . . . . . . 174 P CO . 51969 1 42 . 1 . 1 14 14 PRO CA C 13 62.886 . . . . . . . . 174 P CA . 51969 1 43 . 1 . 1 14 14 PRO CB C 13 31.845 . . . . . . . . 174 P CB . 51969 1 44 . 1 . 1 15 15 PHE H H 1 8.127 . . . . . . . . 175 F HN . 51969 1 45 . 1 . 1 15 15 PHE C C 13 174.956 . . . . . . . . 175 F CO . 51969 1 46 . 1 . 1 15 15 PHE CA C 13 57.520 . . . . . . . . 175 F CA . 51969 1 47 . 1 . 1 15 15 PHE CB C 13 39.436 . . . . . . . . 175 F CB . 51969 1 48 . 1 . 1 15 15 PHE N N 15 120.799 . . . . . . . . 175 F N . 51969 1 49 . 1 . 1 16 16 ILE H H 1 7.847 . . . . . . . . 176 I HN . 51969 1 50 . 1 . 1 16 16 ILE C C 13 175.106 . . . . . . . . 176 I CO . 51969 1 51 . 1 . 1 16 16 ILE CA C 13 60.208 . . . . . . . . 176 I CA . 51969 1 52 . 1 . 1 16 16 ILE CB C 13 38.793 . . . . . . . . 176 I CB . 51969 1 53 . 1 . 1 16 16 ILE N N 15 124.899 . . . . . . . . 176 I N . 51969 1 54 . 1 . 1 17 17 GLU H H 1 8.197 . . . . . . . . 177 E HN . 51969 1 55 . 1 . 1 17 17 GLU C C 13 176.140 . . . . . . . . 177 E CO . 51969 1 56 . 1 . 1 17 17 GLU CA C 13 56.394 . . . . . . . . 177 E CA . 51969 1 57 . 1 . 1 17 17 GLU CB C 13 30.130 . . . . . . . . 177 E CB . 51969 1 58 . 1 . 1 17 17 GLU N N 15 125.703 . . . . . . . . 177 E N . 51969 1 59 . 1 . 1 18 18 GLU H H 1 8.284 . . . . . . . . 178 E HN . 51969 1 60 . 1 . 1 18 18 GLU C C 13 176.087 . . . . . . . . 178 E CO . 51969 1 61 . 1 . 1 18 18 GLU CA C 13 56.373 . . . . . . . . 178 E CA . 51969 1 62 . 1 . 1 18 18 GLU CB C 13 30.164 . . . . . . . . 178 E CB . 51969 1 63 . 1 . 1 18 18 GLU N N 15 122.309 . . . . . . . . 178 E N . 51969 1 64 . 1 . 1 19 19 GLU H H 1 8.209 . . . . . . . . 179 E HN . 51969 1 65 . 1 . 1 19 19 GLU C C 13 175.725 . . . . . . . . 179 E CO . 51969 1 66 . 1 . 1 19 19 GLU CA C 13 56.277 . . . . . . . . 179 E CA . 51969 1 67 . 1 . 1 19 19 GLU CB C 13 30.230 . . . . . . . . 179 E CB . 51969 1 68 . 1 . 1 19 19 GLU N N 15 121.919 . . . . . . . . 179 E N . 51969 1 69 . 1 . 1 20 20 TRP H H 1 8.058 . . . . . . . . 180 W HN . 51969 1 70 . 1 . 1 20 20 TRP C C 13 175.251 . . . . . . . . 180 W CO . 51969 1 71 . 1 . 1 20 20 TRP CA C 13 56.935 . . . . . . . . 180 W CA . 51969 1 72 . 1 . 1 20 20 TRP CB C 13 29.548 . . . . . . . . 180 W CB . 51969 1 73 . 1 . 1 20 20 TRP N N 15 122.874 . . . . . . . . 180 W N . 51969 1 74 . 1 . 1 21 21 ALA H H 1 7.815 . . . . . . . . 181 A HN . 51969 1 75 . 1 . 1 21 21 ALA C C 13 176.608 . . . . . . . . 181 A CO . 51969 1 76 . 1 . 1 21 21 ALA CA C 13 51.684 . . . . . . . . 181 A CA . 51969 1 77 . 1 . 1 21 21 ALA CB C 13 19.855 . . . . . . . . 181 A CB . 51969 1 78 . 1 . 1 21 21 ALA N N 15 127.070 . . . . . . . . 181 A N . 51969 1 79 . 1 . 1 22 22 GLU H H 1 7.998 . . . . . . . . 182 E HN . 51969 1 80 . 1 . 1 22 22 GLU C C 13 175.999 . . . . . . . . 182 E CO . 51969 1 81 . 1 . 1 22 22 GLU CA C 13 56.011 . . . . . . . . 182 E CA . 51969 1 82 . 1 . 1 22 22 GLU CB C 13 30.261 . . . . . . . . 182 E CB . 51969 1 83 . 1 . 1 22 22 GLU N N 15 120.419 . . . . . . . . 182 E N . 51969 1 84 . 1 . 1 23 23 ASP H H 1 8.229 . . . . . . . . 183 D HN . 51969 1 85 . 1 . 1 23 23 ASP C C 13 175.802 . . . . . . . . 183 D CO . 51969 1 86 . 1 . 1 23 23 ASP CA C 13 54.135 . . . . . . . . 183 D CA . 51969 1 87 . 1 . 1 23 23 ASP CB C 13 41.124 . . . . . . . . 183 D CB . 51969 1 88 . 1 . 1 23 23 ASP N N 15 121.549 . . . . . . . . 183 D N . 51969 1 89 . 1 . 1 27 27 ASP C C 13 176.087 . . . . . . . . 187 D CO . 51969 1 90 . 1 . 1 27 27 ASP CA C 13 54.042 . . . . . . . . 187 D CA . 51969 1 91 . 1 . 1 27 27 ASP CB C 13 40.936 . . . . . . . . 187 D CB . 51969 1 92 . 1 . 1 28 28 VAL H H 1 7.873 . . . . . . . . 188 V HN . 51969 1 93 . 1 . 1 28 28 VAL C C 13 175.718 . . . . . . . . 188 V CO . 51969 1 94 . 1 . 1 28 28 VAL CA C 13 61.950 . . . . . . . . 188 V CA . 51969 1 95 . 1 . 1 28 28 VAL CB C 13 32.718 . . . . . . . . 188 V CB . 51969 1 96 . 1 . 1 28 28 VAL N N 15 119.992 . . . . . . . . 188 V N . 51969 1 97 . 1 . 1 29 29 ASP H H 1 8.258 . . . . . . . . 189 D HN . 51969 1 98 . 1 . 1 29 29 ASP C C 13 175.646 . . . . . . . . 189 D CO . 51969 1 99 . 1 . 1 29 29 ASP CA C 13 54.070 . . . . . . . . 189 D CA . 51969 1 100 . 1 . 1 29 29 ASP CB C 13 41.133 . . . . . . . . 189 D CB . 51969 1 101 . 1 . 1 29 29 ASP N N 15 124.202 . . . . . . . . 189 D N . 51969 1 102 . 1 . 1 30 30 GLU H H 1 8.097 . . . . . . . . 190 E HN . 51969 1 103 . 1 . 1 30 30 GLU C C 13 174.312 . . . . . . . . 190 E CO . 51969 1 104 . 1 . 1 30 30 GLU CA C 13 54.150 . . . . . . . . 190 E CA . 51969 1 105 . 1 . 1 30 30 GLU CB C 13 29.693 . . . . . . . . 190 E CB . 51969 1 106 . 1 . 1 30 30 GLU N N 15 122.653 . . . . . . . . 190 E N . 51969 1 107 . 1 . 1 31 31 PRO C C 13 176.914 . . . . . . . . 191 P CO . 51969 1 108 . 1 . 1 31 31 PRO CA C 13 63.210 . . . . . . . . 191 P CA . 51969 1 109 . 1 . 1 31 31 PRO CB C 13 31.872 . . . . . . . . 191 P CB . 51969 1 110 . 1 . 1 32 32 ALA H H 1 8.340 . . . . . . . . 192 A HN . 51969 1 111 . 1 . 1 32 32 ALA C C 13 177.760 . . . . . . . . 192 A CO . 51969 1 112 . 1 . 1 32 32 ALA CA C 13 52.569 . . . . . . . . 192 A CA . 51969 1 113 . 1 . 1 32 32 ALA CB C 13 18.858 . . . . . . . . 192 A CB . 51969 1 114 . 1 . 1 32 32 ALA N N 15 123.693 . . . . . . . . 192 A N . 51969 1 115 . 1 . 1 33 33 ASN H H 1 8.191 . . . . . . . . 193 N HN . 51969 1 116 . 1 . 1 33 33 ASN C C 13 175.142 . . . . . . . . 193 N CO . 51969 1 117 . 1 . 1 33 33 ASN CA C 13 53.080 . . . . . . . . 193 N CA . 51969 1 118 . 1 . 1 33 33 ASN CB C 13 38.577 . . . . . . . . 193 N CB . 51969 1 119 . 1 . 1 33 33 ASN N N 15 117.398 . . . . . . . . 193 N N . 51969 1 120 . 1 . 1 34 34 GLN H H 1 8.132 . . . . . . . . 194 Q HN . 51969 1 121 . 1 . 1 34 34 GLN C C 13 175.688 . . . . . . . . 194 Q CO . 51969 1 122 . 1 . 1 34 34 GLN CA C 13 55.717 . . . . . . . . 194 Q CA . 51969 1 123 . 1 . 1 34 34 GLN CB C 13 29.198 . . . . . . . . 194 Q CB . 51969 1 124 . 1 . 1 34 34 GLN N N 15 120.357 . . . . . . . . 194 Q N . 51969 1 125 . 1 . 1 35 35 LEU H H 1 8.060 . . . . . . . . 195 L HN . 51969 1 126 . 1 . 1 35 35 LEU C C 13 177.037 . . . . . . . . 195 L CO . 51969 1 127 . 1 . 1 35 35 LEU CA C 13 55.225 . . . . . . . . 195 L CA . 51969 1 128 . 1 . 1 35 35 LEU CB C 13 42.011 . . . . . . . . 195 L CB . 51969 1 129 . 1 . 1 35 35 LEU N N 15 123.168 . . . . . . . . 195 L N . 51969 1 130 . 1 . 1 36 36 VAL H H 1 7.984 . . . . . . . . 196 V HN . 51969 1 131 . 1 . 1 36 36 VAL C C 13 176.049 . . . . . . . . 196 V CO . 51969 1 132 . 1 . 1 36 36 VAL CA C 13 62.272 . . . . . . . . 196 V CA . 51969 1 133 . 1 . 1 36 36 VAL CB C 13 32.511 . . . . . . . . 196 V CB . 51969 1 134 . 1 . 1 36 36 VAL N N 15 122.573 . . . . . . . . 196 V N . 51969 1 135 . 1 . 1 37 37 VAL H H 1 8.167 . . . . . . . . 197 V HN . 51969 1 136 . 1 . 1 37 37 VAL C C 13 176.060 . . . . . . . . 197 V CO . 51969 1 137 . 1 . 1 37 37 VAL CA C 13 62.110 . . . . . . . . 197 V CA . 51969 1 138 . 1 . 1 37 37 VAL CB C 13 32.586 . . . . . . . . 197 V CB . 51969 1 139 . 1 . 1 37 37 VAL N N 15 125.253 . . . . . . . . 197 V N . 51969 1 140 . 1 . 1 38 38 SER H H 1 8.269 . . . . . . . . 198 S HN . 51969 1 141 . 1 . 1 38 38 SER C C 13 174.032 . . . . . . . . 198 S CO . 51969 1 142 . 1 . 1 38 38 SER CA C 13 58.045 . . . . . . . . 198 S CA . 51969 1 143 . 1 . 1 38 38 SER CB C 13 63.627 . . . . . . . . 198 S CB . 51969 1 144 . 1 . 1 38 38 SER N N 15 120.169 . . . . . . . . 198 S N . 51969 1 145 . 1 . 1 39 39 ALA H H 1 8.257 . . . . . . . . 199 A HN . 51969 1 146 . 1 . 1 39 39 ALA C C 13 177.535 . . . . . . . . 199 A CO . 51969 1 147 . 1 . 1 39 39 ALA CA C 13 52.363 . . . . . . . . 199 A CA . 51969 1 148 . 1 . 1 39 39 ALA CB C 13 19.097 . . . . . . . . 199 A CB . 51969 1 149 . 1 . 1 39 39 ALA N N 15 126.413 . . . . . . . . 199 A N . 51969 1 150 . 1 . 1 40 40 SER H H 1 8.141 . . . . . . . . 200 S HN . 51969 1 151 . 1 . 1 40 40 SER C C 13 174.457 . . . . . . . . 200 S CO . 51969 1 152 . 1 . 1 40 40 SER CA C 13 58.097 . . . . . . . . 200 S CA . 51969 1 153 . 1 . 1 40 40 SER CB C 13 63.609 . . . . . . . . 200 S CB . 51969 1 154 . 1 . 1 40 40 SER N N 15 115.293 . . . . . . . . 200 S N . 51969 1 155 . 1 . 1 41 41 VAL H H 1 7.988 . . . . . . . . 201 V HN . 51969 1 156 . 1 . 1 41 41 VAL C C 13 175.551 . . . . . . . . 201 V CO . 51969 1 157 . 1 . 1 41 41 VAL CA C 13 62.103 . . . . . . . . 201 V CA . 51969 1 158 . 1 . 1 41 41 VAL CB C 13 32.723 . . . . . . . . 201 V CB . 51969 1 159 . 1 . 1 41 41 VAL N N 15 121.718 . . . . . . . . 201 V N . 51969 1 160 . 1 . 1 42 42 ASP H H 1 8.215 . . . . . . . . 202 D HN . 51969 1 161 . 1 . 1 42 42 ASP C C 13 175.979 . . . . . . . . 202 D CO . 51969 1 162 . 1 . 1 42 42 ASP CA C 13 53.949 . . . . . . . . 202 D CA . 51969 1 163 . 1 . 1 42 42 ASP CB C 13 40.872 . . . . . . . . 202 D CB . 51969 1 164 . 1 . 1 42 42 ASP N N 15 123.636 . . . . . . . . 202 D N . 51969 1 165 . 1 . 1 43 43 ASN H H 1 8.281 . . . . . . . . 203 N HN . 51969 1 166 . 1 . 1 43 43 ASN C C 13 175.880 . . . . . . . . 203 N CO . 51969 1 167 . 1 . 1 43 43 ASN CA C 13 53.274 . . . . . . . . 203 N CA . 51969 1 168 . 1 . 1 43 43 ASN CB C 13 38.468 . . . . . . . . 203 N CB . 51969 1 169 . 1 . 1 43 43 ASN N N 15 121.254 . . . . . . . . 203 N N . 51969 1 170 . 1 . 1 44 44 SER H H 1 8.23 . . . . . . . . 204 S HN . 51969 1 171 . 1 . 1 44 44 SER C C 13 174.941 . . . . . . . . 204 S CO . 51969 1 172 . 1 . 1 44 44 SER CA C 13 59.480 . . . . . . . . 204 S CA . 51969 1 173 . 1 . 1 44 44 SER CB C 13 63.473 . . . . . . . . 204 S CB . 51969 1 174 . 1 . 1 44 44 SER N N 15 116.417 . . . . . . . . 204 S N . 51969 1 175 . 1 . 1 45 45 LEU H H 1 7.872 . . . . . . . . 205 L HN . 51969 1 176 . 1 . 1 45 45 LEU C C 13 177.373 . . . . . . . . 205 L CO . 51969 1 177 . 1 . 1 45 45 LEU CA C 13 55.397 . . . . . . . . 205 L CA . 51969 1 178 . 1 . 1 45 45 LEU CB C 13 41.678 . . . . . . . . 205 L CB . 51969 1 179 . 1 . 1 45 45 LEU N N 15 122.465 . . . . . . . . 205 L N . 51969 1 180 . 1 . 1 46 46 TRP H H 1 7.704 . . . . . . . . 206 W HN . 51969 1 181 . 1 . 1 46 46 TRP C C 13 176.913 . . . . . . . . 206 W CO . 51969 1 182 . 1 . 1 46 46 TRP CA C 13 57.266 . . . . . . . . 206 W CA . 51969 1 183 . 1 . 1 46 46 TRP CB C 13 29.274 . . . . . . . . 206 W CB . 51969 1 184 . 1 . 1 46 46 TRP N N 15 120.120 . . . . . . . . 206 W N . 51969 1 185 . 1 . 1 47 47 GLY H H 1 8.021 . . . . . . . . 207 G HN . 51969 1 186 . 1 . 1 47 47 GLY C C 13 174.161 . . . . . . . . 207 G CO . 51969 1 187 . 1 . 1 47 47 GLY CA C 13 45.381 . . . . . . . . 207 G CA . 51969 1 188 . 1 . 1 47 47 GLY N N 15 110.184 . . . . . . . . 207 G N . 51969 1 189 . 1 . 1 48 48 LYS H H 1 7.878 . . . . . . . . 208 K HN . 51969 1 190 . 1 . 1 48 48 LYS C C 13 177.030 . . . . . . . . 208 K CO . 51969 1 191 . 1 . 1 48 48 LYS CA C 13 56.192 . . . . . . . . 208 K CA . 51969 1 192 . 1 . 1 48 48 LYS CB C 13 32.650 . . . . . . . . 208 K CB . 51969 1 193 . 1 . 1 48 48 LYS N N 15 120.276 . . . . . . . . 208 K N . 51969 1 194 . 1 . 1 49 49 GLY H H 1 8.273 . . . . . . . . 209 G HN . 51969 1 195 . 1 . 1 49 49 GLY C C 13 174.006 . . . . . . . . 209 G CO . 51969 1 196 . 1 . 1 49 49 GLY CA C 13 45.150 . . . . . . . . 209 G CA . 51969 1 197 . 1 . 1 49 49 GLY N N 15 109.543 . . . . . . . . 209 G N . 51969 1 198 . 1 . 1 50 50 LEU H H 1 7.953 . . . . . . . . 210 L HN . 51969 1 199 . 1 . 1 50 50 LEU C C 13 177.200 . . . . . . . . 210 L CO . 51969 1 200 . 1 . 1 50 50 LEU CA C 13 55.138 . . . . . . . . 210 L CA . 51969 1 201 . 1 . 1 50 50 LEU CB C 13 42.102 . . . . . . . . 210 L CB . 51969 1 202 . 1 . 1 50 50 LEU N N 15 121.298 . . . . . . . . 210 L N . 51969 1 203 . 1 . 1 51 51 ASN C C 13 175.063 . . . . . . . . 211 N CO . 51969 1 204 . 1 . 1 51 51 ASN CA C 13 53.110 . . . . . . . . 211 N CA . 51969 1 205 . 1 . 1 51 51 ASN CB C 13 38.430 . . . . . . . . 211 N CB . 51969 1 206 . 1 . 1 52 52 GLN H H 1 8.220 . . . . . . . . 212 Q HN . 51969 1 207 . 1 . 1 52 52 GLN C C 13 175.966 . . . . . . . . 212 Q CO . 51969 1 208 . 1 . 1 52 52 GLN CA C 13 55.618 . . . . . . . . 212 Q CA . 51969 1 209 . 1 . 1 52 52 GLN CB C 13 29.044 . . . . . . . . 212 Q CB . 51969 1 210 . 1 . 1 52 52 GLN N N 15 120.776 . . . . . . . . 212 Q N . 51969 1 211 . 1 . 1 53 53 SER H H 1 8.231 . . . . . . . . 213 S HN . 51969 1 212 . 1 . 1 53 53 SER C C 13 174.467 . . . . . . . . 213 S CO . 51969 1 213 . 1 . 1 53 53 SER CA C 13 58.616 . . . . . . . . 213 S CA . 51969 1 214 . 1 . 1 53 53 SER CB C 13 63.726 . . . . . . . . 213 S CB . 51969 1 215 . 1 . 1 53 53 SER N N 15 116.723 . . . . . . . . 213 S N . 51969 1 216 . 1 . 1 54 54 GLU H H 1 8.268 . . . . . . . . 214 E HN . 51969 1 217 . 1 . 1 54 54 GLU C C 13 176.341 . . . . . . . . 214 E CO . 51969 1 218 . 1 . 1 54 54 GLU CA C 13 56.477 . . . . . . . . 214 E CA . 51969 1 219 . 1 . 1 54 54 GLU CB C 13 29.909 . . . . . . . . 214 E CB . 51969 1 220 . 1 . 1 54 54 GLU N N 15 122.262 . . . . . . . . 214 E N . 51969 1 221 . 1 . 1 55 55 LEU H H 1 7.930 . . . . . . . . 215 L HN . 51969 1 222 . 1 . 1 55 55 LEU C C 13 177.016 . . . . . . . . 215 L CO . 51969 1 223 . 1 . 1 55 55 LEU CA C 13 54.961 . . . . . . . . 215 L CA . 51969 1 224 . 1 . 1 55 55 LEU CB C 13 42.253 . . . . . . . . 215 L CB . 51969 1 225 . 1 . 1 55 55 LEU N N 15 121.901 . . . . . . . . 215 L N . 51969 1 226 . 1 . 1 57 57 ASP C C 13 176.381 . . . . . . . . 217 D CO . 51969 1 227 . 1 . 1 57 57 ASP CA C 13 54.685 . . . . . . . . 217 D CA . 51969 1 228 . 1 . 1 57 57 ASP CB C 13 40.700 . . . . . . . . 217 D CB . 51969 1 229 . 1 . 1 58 58 ASN H H 1 8.221 . . . . . . . . 218 N HN . 51969 1 230 . 1 . 1 58 58 ASN C C 13 175.154 . . . . . . . . 218 N CO . 51969 1 231 . 1 . 1 58 58 ASN CA C 13 53.754 . . . . . . . . 218 N CA . 51969 1 232 . 1 . 1 58 58 ASN CB C 13 38.999 . . . . . . . . 218 N CB . 51969 1 233 . 1 . 1 58 58 ASN N N 15 118.687 . . . . . . . . 218 N N . 51969 1 234 . 1 . 1 59 59 ASP C C 13 176.584 . . . . . . . . 219 D CO . 51969 1 235 . 1 . 1 59 59 ASP CA C 13 54.619 . . . . . . . . 219 D CA . 51969 1 236 . 1 . 1 59 59 ASP CB C 13 40.849 . . . . . . . . 219 D CB . 51969 1 237 . 1 . 1 60 60 ILE H H 1 7.846 . . . . . . . . 220 I HN . 51969 1 238 . 1 . 1 60 60 ILE C C 13 176.603 . . . . . . . . 220 I CO . 51969 1 239 . 1 . 1 60 60 ILE CA C 13 61.898 . . . . . . . . 220 I CA . 51969 1 240 . 1 . 1 60 60 ILE CB C 13 38.324 . . . . . . . . 220 I CB . 51969 1 241 . 1 . 1 60 60 ILE N N 15 120.873 . . . . . . . . 220 I N . 51969 1 242 . 1 . 1 61 61 GLU H H 1 8.179 . . . . . . . . 221 E HN . 51969 1 243 . 1 . 1 61 61 GLU C C 13 177.309 . . . . . . . . 221 E CO . 51969 1 244 . 1 . 1 61 61 GLU CA C 13 57.449 . . . . . . . . 221 E CA . 51969 1 245 . 1 . 1 61 61 GLU CB C 13 29.729 . . . . . . . . 221 E CB . 51969 1 246 . 1 . 1 61 61 GLU N N 15 123.825 . . . . . . . . 221 E N . 51969 1 247 . 1 . 1 62 62 GLU H H 1 8.164 . . . . . . . . 222 E HN . 51969 1 248 . 1 . 1 62 62 GLU C C 13 177.211 . . . . . . . . 222 E CO . 51969 1 249 . 1 . 1 62 62 GLU CA C 13 57.327 . . . . . . . . 222 E CA . 51969 1 250 . 1 . 1 62 62 GLU CB C 13 29.625 . . . . . . . . 222 E CB . 51969 1 251 . 1 . 1 62 62 GLU N N 15 121.657 . . . . . . . . 222 E N . 51969 1 252 . 1 . 1 63 63 LEU H H 1 8.005 . . . . . . . . 223 L HN . 51969 1 253 . 1 . 1 63 63 LEU C C 13 178.273 . . . . . . . . 223 L CO . 51969 1 254 . 1 . 1 63 63 LEU CA C 13 55.980 . . . . . . . . 223 L CA . 51969 1 255 . 1 . 1 63 63 LEU CB C 13 41.970 . . . . . . . . 223 L CB . 51969 1 256 . 1 . 1 63 63 LEU N N 15 122.275 . . . . . . . . 223 L N . 51969 1 257 . 1 . 1 64 64 MET H H 1 8.182 . . . . . . . . 224 M HN . 51969 1 258 . 1 . 1 64 64 MET C C 13 176.990 . . . . . . . . 224 M CO . 51969 1 259 . 1 . 1 64 64 MET CA C 13 55.947 . . . . . . . . 224 M CA . 51969 1 260 . 1 . 1 64 64 MET CB C 13 32.192 . . . . . . . . 224 M CB . 51969 1 261 . 1 . 1 64 64 MET N N 15 119.447 . . . . . . . . 224 M N . 51969 1 262 . 1 . 1 65 65 SER H H 1 8.003 . . . . . . . . 225 S HN . 51969 1 263 . 1 . 1 65 65 SER C C 13 174.696 . . . . . . . . 225 S CO . 51969 1 264 . 1 . 1 65 65 SER CA C 13 58.989 . . . . . . . . 225 S CA . 51969 1 265 . 1 . 1 65 65 SER CB C 13 63.313 . . . . . . . . 225 S CB . 51969 1 266 . 1 . 1 65 65 SER N N 15 115.949 . . . . . . . . 225 S N . 51969 1 267 . 1 . 1 66 66 GLN H H 1 8.010 . . . . . . . . 226 Q HN . 51969 1 268 . 1 . 1 66 66 GLN C C 13 176.164 . . . . . . . . 226 Q CO . 51969 1 269 . 1 . 1 66 66 GLN CA C 13 55.998 . . . . . . . . 226 Q CA . 51969 1 270 . 1 . 1 66 66 GLN CB C 13 29.081 . . . . . . . . 226 Q CB . 51969 1 271 . 1 . 1 66 66 GLN N N 15 121.502 . . . . . . . . 226 Q N . 51969 1 272 . 1 . 1 67 67 VAL H H 1 7.892 . . . . . . . . 227 V HN . 51969 1 273 . 1 . 1 67 67 VAL C C 13 176.379 . . . . . . . . 227 V CO . 51969 1 274 . 1 . 1 67 67 VAL CA C 13 62.785 . . . . . . . . 227 V CA . 51969 1 275 . 1 . 1 67 67 VAL CB C 13 32.230 . . . . . . . . 227 V CB . 51969 1 276 . 1 . 1 67 67 VAL N N 15 120.718 . . . . . . . . 227 V N . 51969 1 277 . 1 . 1 68 68 ARG H H 1 8.183 . . . . . . . . 228 R HN . 51969 1 278 . 1 . 1 68 68 ARG C C 13 176.022 . . . . . . . . 228 R CO . 51969 1 279 . 1 . 1 68 68 ARG CA C 13 56.116 . . . . . . . . 228 R CA . 51969 1 280 . 1 . 1 68 68 ARG CB C 13 30.793 . . . . . . . . 228 R CB . 51969 1 281 . 1 . 1 68 68 ARG N N 15 124.571 . . . . . . . . 228 R N . 51969 1 282 . 1 . 1 70 70 GLN C C 13 175.983 . . . . . . . . 230 Q CO . 51969 1 283 . 1 . 1 70 70 GLN CA C 13 56.138 . . . . . . . . 230 Q CA . 51969 1 284 . 1 . 1 70 70 GLN CB C 13 29.083 . . . . . . . . 230 Q CB . 51969 1 285 . 1 . 1 71 71 SER H H 1 8.206 . . . . . . . . 231 S HN . 51969 1 286 . 1 . 1 71 71 SER C C 13 174.537 . . . . . . . . 231 S CO . 51969 1 287 . 1 . 1 71 71 SER CA C 13 58.701 . . . . . . . . 231 S CA . 51969 1 288 . 1 . 1 71 71 SER CB C 13 63.524 . . . . . . . . 231 S CB . 51969 1 289 . 1 . 1 71 71 SER N N 15 116.417 . . . . . . . . 231 S N . 51969 1 290 . 1 . 1 72 72 GLY H H 1 8.085 . . . . . . . . 232 G HN . 51969 1 291 . 1 . 1 72 72 GLY C C 13 177.611 . . . . . . . . 232 G CO . 51969 1 292 . 1 . 1 72 72 GLY CA C 13 44.637 . . . . . . . . 232 G CA . 51969 1 293 . 1 . 1 72 72 GLY N N 15 110.531 . . . . . . . . 232 G N . 51969 1 294 . 1 . 1 73 73 PRO C C 13 177.222 . . . . . . . . 233 P CO . 51969 1 295 . 1 . 1 73 73 PRO CA C 13 63.037 . . . . . . . . 233 P CA . 51969 1 296 . 1 . 1 73 73 PRO CB C 13 32.065 . . . . . . . . 233 P CB . 51969 1 297 . 1 . 1 74 74 THR H H 1 8.166 . . . . . . . . 234 T HN . 51969 1 298 . 1 . 1 74 74 THR C C 13 174.499 . . . . . . . . 234 T CO . 51969 1 299 . 1 . 1 74 74 THR CA C 13 62.003 . . . . . . . . 234 T CA . 51969 1 300 . 1 . 1 74 74 THR CB C 13 69.608 . . . . . . . . 234 T CB . 51969 1 301 . 1 . 1 74 74 THR N N 15 114.986 . . . . . . . . 234 T N . 51969 1 302 . 1 . 1 75 75 LEU H H 1 8.159 . . . . . . . . 235 L HN . 51969 1 303 . 1 . 1 75 75 LEU C C 13 177.148 . . . . . . . . 235 L CO . 51969 1 304 . 1 . 1 75 75 LEU CA C 13 55.060 . . . . . . . . 235 L CA . 51969 1 305 . 1 . 1 75 75 LEU CB C 13 42.076 . . . . . . . . 235 L CB . 51969 1 306 . 1 . 1 75 75 LEU N N 15 124.873 . . . . . . . . 235 L N . 51969 1 307 . 1 . 1 76 76 GLN C C 13 175.875 . . . . . . . . 236 Q CO . 51969 1 308 . 1 . 1 76 76 GLN CA C 13 55.641 . . . . . . . . 236 Q CA . 51969 1 309 . 1 . 1 76 76 GLN CB C 13 29.121 . . . . . . . . 236 Q CB . 51969 1 310 . 1 . 1 77 77 GLN H H 1 8.319 . . . . . . . . 237 Q HN . 51969 1 311 . 1 . 1 77 77 GLN C C 13 175.623 . . . . . . . . 237 Q CO . 51969 1 312 . 1 . 1 77 77 GLN CA C 13 55.702 . . . . . . . . 237 Q CA . 51969 1 313 . 1 . 1 77 77 GLN CB C 13 29.196 . . . . . . . . 237 Q CB . 51969 1 314 . 1 . 1 77 77 GLN N N 15 121.743 . . . . . . . . 237 Q N . 51969 1 315 . 1 . 1 78 78 ASN H H 1 8.384 . . . . . . . . 238 N HN . 51969 1 316 . 1 . 1 78 78 ASN C C 13 175.587 . . . . . . . . 238 N CO . 51969 1 317 . 1 . 1 78 78 ASN CA C 13 53.182 . . . . . . . . 238 N CA . 51969 1 318 . 1 . 1 78 78 ASN CB C 13 38.666 . . . . . . . . 238 N CB . 51969 1 319 . 1 . 1 78 78 ASN N N 15 119.752 . . . . . . . . 238 N N . 51969 1 320 . 1 . 1 79 79 GLY H H 1 8.240 . . . . . . . . 239 G HN . 51969 1 321 . 1 . 1 79 79 GLY C C 13 174.166 . . . . . . . . 239 G CO . 51969 1 322 . 1 . 1 79 79 GLY CA C 13 45.236 . . . . . . . . 239 G CA . 51969 1 323 . 1 . 1 79 79 GLY N N 15 109.215 . . . . . . . . 239 G N . 51969 1 324 . 1 . 1 80 80 VAL H H 1 7.871 . . . . . . . . 240 V HN . 51969 1 325 . 1 . 1 80 80 VAL C C 13 176.338 . . . . . . . . 240 V CO . 51969 1 326 . 1 . 1 80 80 VAL CA C 13 62.143 . . . . . . . . 240 V CA . 51969 1 327 . 1 . 1 80 80 VAL CB C 13 32.566 . . . . . . . . 240 V CB . 51969 1 328 . 1 . 1 80 80 VAL N N 15 119.002 . . . . . . . . 240 V N . 51969 1 329 . 1 . 1 81 81 SER H H 1 8.321 . . . . . . . . 241 S HN . 51969 1 330 . 1 . 1 81 81 SER C C 13 174.941 . . . . . . . . 241 S CO . 51969 1 331 . 1 . 1 81 81 SER CA C 13 58.386 . . . . . . . . 241 S CA . 51969 1 332 . 1 . 1 81 81 SER CB C 13 63.665 . . . . . . . . 241 S CB . 51969 1 333 . 1 . 1 81 81 SER N N 15 119.403 . . . . . . . . 241 S N . 51969 1 334 . 1 . 1 82 82 GLY H H 1 8.270 . . . . . . . . 242 G HN . 51969 1 335 . 1 . 1 82 82 GLY C C 13 174.068 . . . . . . . . 242 G CO . 51969 1 336 . 1 . 1 82 82 GLY CA C 13 45.160 . . . . . . . . 242 G CA . 51969 1 337 . 1 . 1 82 82 GLY N N 15 110.807 . . . . . . . . 242 G N . 51969 1 338 . 1 . 1 83 83 LEU H H 1 7.906 . . . . . . . . 243 L HN . 51969 1 339 . 1 . 1 83 83 LEU C C 13 177.115 . . . . . . . . 243 L CO . 51969 1 340 . 1 . 1 83 83 LEU CA C 13 55.005 . . . . . . . . 243 L CA . 51969 1 341 . 1 . 1 83 83 LEU CB C 13 42.192 . . . . . . . . 243 L CB . 51969 1 342 . 1 . 1 83 83 LEU N N 15 121.082 . . . . . . . . 243 L N . 51969 1 343 . 1 . 1 84 84 ASN H H 1 8.381 . . . . . . . . 244 N HN . 51969 1 344 . 1 . 1 84 84 ASN C C 13 175.041 . . . . . . . . 244 N CO . 51969 1 345 . 1 . 1 84 84 ASN CA C 13 53.043 . . . . . . . . 244 N CA . 51969 1 346 . 1 . 1 84 84 ASN CB C 13 38.446 . . . . . . . . 244 N CB . 51969 1 347 . 1 . 1 84 84 ASN N N 15 119.040 . . . . . . . . 244 N N . 51969 1 348 . 1 . 1 85 85 SER H H 1 8.039 . . . . . . . . 245 S HN . 51969 1 349 . 1 . 1 85 85 SER C C 13 174.022 . . . . . . . . 245 S CO . 51969 1 350 . 1 . 1 85 85 SER CA C 13 58.364 . . . . . . . . 245 S CA . 51969 1 351 . 1 . 1 85 85 SER CB C 13 63.524 . . . . . . . . 245 S CB . 51969 1 352 . 1 . 1 85 85 SER N N 15 115.791 . . . . . . . . 245 S N . 51969 1 353 . 1 . 1 86 86 HIS C C 13 175.133 . . . . . . . . 246 H CO . 51969 1 354 . 1 . 1 86 86 HIS CA C 13 56.414 . . . . . . . . 246 H CA . 51969 1 355 . 1 . 1 86 86 HIS CB C 13 30.591 . . . . . . . . 246 H CB . 51969 1 356 . 1 . 1 87 87 VAL H H 1 7.737 . . . . . . . . 247 V HN . 51969 1 357 . 1 . 1 87 87 VAL C C 13 175.467 . . . . . . . . 247 V CO . 51969 1 358 . 1 . 1 87 87 VAL CA C 13 62.045 . . . . . . . . 247 V CA . 51969 1 359 . 1 . 1 87 87 VAL CB C 13 32.746 . . . . . . . . 247 V CB . 51969 1 360 . 1 . 1 87 87 VAL N N 15 121.701 . . . . . . . . 247 V N . 51969 1 361 . 1 . 1 88 88 ASP H H 1 8.317 . . . . . . . . 248 D HN . 51969 1 362 . 1 . 1 88 88 ASP C C 13 176.280 . . . . . . . . 248 D CO . 51969 1 363 . 1 . 1 88 88 ASP CA C 13 54.301 . . . . . . . . 248 D CA . 51969 1 364 . 1 . 1 88 88 ASP CB C 13 41.049 . . . . . . . . 248 D CB . 51969 1 365 . 1 . 1 88 88 ASP N N 15 124.052 . . . . . . . . 248 D N . 51969 1 366 . 1 . 1 89 89 THR H H 1 7.857 . . . . . . . . 249 T HN . 51969 1 367 . 1 . 1 89 89 THR C C 13 174.211 . . . . . . . . 249 T CO . 51969 1 368 . 1 . 1 89 89 THR CA C 13 61.982 . . . . . . . . 249 T CA . 51969 1 369 . 1 . 1 89 89 THR CB C 13 69.473 . . . . . . . . 249 T CB . 51969 1 370 . 1 . 1 89 89 THR N N 15 114.108 . . . . . . . . 249 T N . 51969 1 371 . 1 . 1 90 90 TYR H H 1 8.020 . . . . . . . . 250 Y HN . 51969 1 372 . 1 . 1 90 90 TYR C C 13 175.295 . . . . . . . . 250 Y CO . 51969 1 373 . 1 . 1 90 90 TYR CA C 13 58.017 . . . . . . . . 250 Y CA . 51969 1 374 . 1 . 1 90 90 TYR N N 15 122.152 . . . . . . . . 250 Y N . 51969 1 375 . 1 . 1 91 91 ASN C C 13 174.834 . . . . . . . . 251 N CO . 51969 1 376 . 1 . 1 91 91 ASN CA C 13 52.963 . . . . . . . . 251 N CA . 51969 1 377 . 1 . 1 91 91 ASN CB C 13 38.659 . . . . . . . . 251 N CB . 51969 1 378 . 1 . 1 92 92 LEU H H 1 8.003 . . . . . . . . 252 L HN . 51969 1 379 . 1 . 1 92 92 LEU C C 13 177.412 . . . . . . . . 252 L CO . 51969 1 380 . 1 . 1 92 92 LEU CA C 13 55.357 . . . . . . . . 252 L CA . 51969 1 381 . 1 . 1 92 92 LEU CB C 13 41.970 . . . . . . . . 252 L CB . 51969 1 382 . 1 . 1 92 92 LEU N N 15 122.441 . . . . . . . . 252 L N . 51969 1 383 . 1 . 1 93 93 GLU H H 1 8.172 . . . . . . . . 253 E HN . 51969 1 384 . 1 . 1 93 93 GLU C C 13 175.927 . . . . . . . . 253 E CO . 51969 1 385 . 1 . 1 93 93 GLU CA C 13 56.582 . . . . . . . . 253 E CA . 51969 1 386 . 1 . 1 93 93 GLU CB C 13 30.048 . . . . . . . . 253 E CB . 51969 1 387 . 1 . 1 93 93 GLU N N 15 120.332 . . . . . . . . 253 E N . 51969 1 388 . 1 . 1 94 94 ASN H H 1 8.170 . . . . . . . . 254 N HN . 51969 1 389 . 1 . 1 94 94 ASN C C 13 174.814 . . . . . . . . 254 N CO . 51969 1 390 . 1 . 1 94 94 ASN CA C 13 52.932 . . . . . . . . 254 N CA . 51969 1 391 . 1 . 1 94 94 ASN CB C 13 38.604 . . . . . . . . 254 N CB . 51969 1 392 . 1 . 1 94 94 ASN N N 15 119.044 . . . . . . . . 254 N N . 51969 1 393 . 1 . 1 95 95 LEU H H 1 8.101 . . . . . . . . 255 L HN . 51969 1 394 . 1 . 1 95 95 LEU C C 13 177.414 . . . . . . . . 255 L CO . 51969 1 395 . 1 . 1 95 95 LEU CA C 13 55.127 . . . . . . . . 255 L CA . 51969 1 396 . 1 . 1 95 95 LEU CB C 13 42.069 . . . . . . . . 255 L CB . 51969 1 397 . 1 . 1 95 95 LEU N N 15 122.718 . . . . . . . . 255 L N . 51969 1 398 . 1 . 1 96 96 GLU H H 1 8.197 . . . . . . . . 256 E HN . 51969 1 399 . 1 . 1 96 96 GLU C C 13 176.498 . . . . . . . . 256 E CO . 51969 1 400 . 1 . 1 96 96 GLU CA C 13 56.433 . . . . . . . . 256 E CA . 51969 1 401 . 1 . 1 96 96 GLU CB C 13 30.094 . . . . . . . . 256 E CB . 51969 1 402 . 1 . 1 96 96 GLU N N 15 121.476 . . . . . . . . 256 E N . 51969 1 403 . 1 . 1 98 98 ASP C C 13 176.241 . . . . . . . . 258 D CO . 51969 1 404 . 1 . 1 98 98 ASP CA C 13 54.385 . . . . . . . . 258 D CA . 51969 1 405 . 1 . 1 98 98 ASP CB C 13 40.726 . . . . . . . . 258 D CB . 51969 1 406 . 1 . 1 99 99 MET H H 1 8.020 . . . . . . . . 259 M HN . 51969 1 407 . 1 . 1 99 99 MET C C 13 175.830 . . . . . . . . 259 M CO . 51969 1 408 . 1 . 1 99 99 MET CA C 13 55.630 . . . . . . . . 259 M CA . 51969 1 409 . 1 . 1 99 99 MET CB C 13 32.555 . . . . . . . . 259 M CB . 51969 1 410 . 1 . 1 99 99 MET N N 15 120.614 . . . . . . . . 259 M N . 51969 1 411 . 1 . 1 100 100 TYR H H 1 8.074 . . . . . . . . 260 Y HN . 51969 1 412 . 1 . 1 100 100 TYR C C 13 175.257 . . . . . . . . 260 Y CO . 51969 1 413 . 1 . 1 100 100 TYR CA C 13 57.841 . . . . . . . . 260 Y CA . 51969 1 414 . 1 . 1 100 100 TYR CB C 13 38.135 . . . . . . . . 260 Y CB . 51969 1 415 . 1 . 1 100 100 TYR N N 15 121.068 . . . . . . . . 260 Y N . 51969 1 416 . 1 . 1 101 101 LEU H H 1 7.704 . . . . . . . . 261 L HN . 51969 1 417 . 1 . 1 101 101 LEU C C 13 176.487 . . . . . . . . 261 L CO . 51969 1 418 . 1 . 1 101 101 LEU CA C 13 54.729 . . . . . . . . 261 L CA . 51969 1 419 . 1 . 1 101 101 LEU CB C 13 42.580 . . . . . . . . 261 L CB . 51969 1 420 . 1 . 1 101 101 LEU N N 15 124.169 . . . . . . . . 261 L N . 51969 1 421 . 1 . 1 102 102 GLU H H 1 8.140 . . . . . . . . 262 E HN . 51969 1 422 . 1 . 1 102 102 GLU C C 13 176.164 . . . . . . . . 262 E CO . 51969 1 423 . 1 . 1 102 102 GLU CA C 13 56.201 . . . . . . . . 262 E CA . 51969 1 424 . 1 . 1 102 102 GLU CB C 13 29.961 . . . . . . . . 262 E CB . 51969 1 425 . 1 . 1 102 102 GLU N N 15 122.347 . . . . . . . . 262 E N . 51969 1 426 . 1 . 1 103 103 ILE H H 1 8.022 . . . . . . . . 263 I HN . 51969 1 427 . 1 . 1 103 103 ILE C C 13 175.814 . . . . . . . . 263 I CO . 51969 1 428 . 1 . 1 103 103 ILE CA C 13 60.951 . . . . . . . . 263 I CA . 51969 1 429 . 1 . 1 103 103 ILE CB C 13 38.473 . . . . . . . . 263 I CB . 51969 1 430 . 1 . 1 103 103 ILE N N 15 122.308 . . . . . . . . 263 I N . 51969 1 431 . 1 . 1 104 104 ASN H H 1 8.325 . . . . . . . . 264 N HN . 51969 1 432 . 1 . 1 104 104 ASN C C 13 174.693 . . . . . . . . 264 N CO . 51969 1 433 . 1 . 1 104 104 ASN CA C 13 52.963 . . . . . . . . 264 N CA . 51969 1 434 . 1 . 1 104 104 ASN CB C 13 39.050 . . . . . . . . 264 N CB . 51969 1 435 . 1 . 1 104 104 ASN N N 15 122.945 . . . . . . . . 264 N N . 51969 1 436 . 1 . 1 105 105 ASP H H 1 8.173 . . . . . . . . 265 D HN . 51969 1 437 . 1 . 1 105 105 ASP C C 13 175.910 . . . . . . . . 265 D CO . 51969 1 438 . 1 . 1 105 105 ASP CA C 13 54.121 . . . . . . . . 265 D CA . 51969 1 439 . 1 . 1 105 105 ASP CB C 13 41.012 . . . . . . . . 265 D CB . 51969 1 440 . 1 . 1 105 105 ASP N N 15 121.266 . . . . . . . . 265 D N . 51969 1 441 . 1 . 1 106 106 LEU H H 1 7.969 . . . . . . . . 266 L HN . 51969 1 442 . 1 . 1 106 106 LEU C C 13 177.158 . . . . . . . . 266 L CO . 51969 1 443 . 1 . 1 106 106 LEU CA C 13 55.007 . . . . . . . . 266 L CA . 51969 1 444 . 1 . 1 106 106 LEU CB C 13 41.974 . . . . . . . . 266 L CB . 51969 1 445 . 1 . 1 106 106 LEU N N 15 121.717 . . . . . . . . 266 L N . 51969 1 446 . 1 . 1 107 107 MET H H 1 8.092 . . . . . . . . 267 M HN . 51969 1 447 . 1 . 1 107 107 MET C C 13 175.794 . . . . . . . . 267 M CO . 51969 1 448 . 1 . 1 107 107 MET CA C 13 54.925 . . . . . . . . 267 M CA . 51969 1 449 . 1 . 1 107 107 MET CB C 13 32.657 . . . . . . . . 267 M CB . 51969 1 450 . 1 . 1 107 107 MET N N 15 121.052 . . . . . . . . 267 M N . 51969 1 451 . 1 . 1 108 108 GLU H H 1 8.228 . . . . . . . . 268 E HN . 51969 1 452 . 1 . 1 108 108 GLU C C 13 174.148 . . . . . . . . 268 E CO . 51969 1 453 . 1 . 1 108 108 GLU CA C 13 54.063 . . . . . . . . 268 E CA . 51969 1 454 . 1 . 1 108 108 GLU CB C 13 29.613 . . . . . . . . 268 E CB . 51969 1 455 . 1 . 1 108 108 GLU N N 15 123.902 . . . . . . . . 268 E N . 51969 1 456 . 1 . 1 109 109 PRO C C 13 176.571 . . . . . . . . 269 P CO . 51969 1 457 . 1 . 1 109 109 PRO CA C 13 62.541 . . . . . . . . 269 P CA . 51969 1 458 . 1 . 1 109 109 PRO CB C 13 31.995 . . . . . . . . 269 P CB . 51969 1 459 . 1 . 1 110 110 GLU H H 1 8.390 . . . . . . . . 270 E HN . 51969 1 460 . 1 . 1 110 110 GLU C C 13 174.489 . . . . . . . . 270 E CO . 51969 1 461 . 1 . 1 110 110 GLU CA C 13 54.215 . . . . . . . . 270 E CA . 51969 1 462 . 1 . 1 110 110 GLU CB C 13 29.446 . . . . . . . . 270 E CB . 51969 1 463 . 1 . 1 110 110 GLU N N 15 122.856 . . . . . . . . 270 E N . 51969 1 464 . 1 . 1 111 111 PRO C C 13 176.583 . . . . . . . . 271 P CO . 51969 1 465 . 1 . 1 111 111 PRO CA C 13 62.573 . . . . . . . . 271 P CA . 51969 1 466 . 1 . 1 111 111 PRO CB C 13 31.965 . . . . . . . . 271 P CB . 51969 1 467 . 1 . 1 112 112 GLU H H 1 8.350 . . . . . . . . 272 E HN . 51969 1 468 . 1 . 1 112 112 GLU C C 13 174.601 . . . . . . . . 272 E CO . 51969 1 469 . 1 . 1 112 112 GLU CA C 13 54.289 . . . . . . . . 272 E CA . 51969 1 470 . 1 . 1 112 112 GLU CB C 13 29.418 . . . . . . . . 272 E CB . 51969 1 471 . 1 . 1 112 112 GLU N N 15 122.771 . . . . . . . . 272 E N . 51969 1 472 . 1 . 1 113 113 PRO C C 13 176.312 . . . . . . . . 273 P CO . 51969 1 473 . 1 . 1 113 113 PRO CA C 13 63.202 . . . . . . . . 273 P CA . 51969 1 474 . 1 . 1 113 113 PRO CB C 13 31.843 . . . . . . . . 273 P CB . 51969 1 475 . 1 . 1 114 114 THR H H 1 7.731 . . . . . . . . 274 T HN . 51969 1 476 . 1 . 1 114 114 THR C C 13 173.334 . . . . . . . . 274 T CO . 51969 1 477 . 1 . 1 114 114 THR CA C 13 63.024 . . . . . . . . 274 T CA . 51969 1 478 . 1 . 1 114 114 THR CB C 13 70.708 . . . . . . . . 274 T CB . 51969 1 479 . 1 . 1 114 114 THR N N 15 119.847 . . . . . . . . 274 T N . 51969 1 stop_ save_