data_51605 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51605 _Entry.Title ; Backbone 1H, 15N, 13C chemical Shift Assignments for the mutant human MDMX acidic domain, residues 170-260 W239S/W240S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-31 _Entry.Accession_date 2022-08-31 _Entry.Last_release_date 2022-08-31 _Entry.Original_release_date 2022-08-31 _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 'Backbone chemical shifts of the mutant human MDMX acidic domain, residues 170-260 W239S/W240S' _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 Malissa Fenton . J. . . 51605 2 Wade Borcherds . M. . . 51605 3 Lihong Chen . . . . 51605 4 Asokan Anbanandam . . . . 51605 5 Jiandong Chen . . . . 51605 6 Gary Daughdrill . W. . . 51605 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of South Florida' . 51605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 51605 '15N chemical shifts' 92 51605 '1H chemical shifts' 92 51605 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-12-02 2022-08-31 update BMRB 'update entry citation' 51605 1 . . 2022-10-07 2022-08-31 original author 'original release' 51605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51603 'wild-type human MDMX acidic domain, residues 170-260' 51605 BMRB 51604 'mutant human MDMX acidic domain, residues 170-260 W200S/W201G' 51605 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51605 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36181774 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Two short linear motifs in the MDMX acidic domain bind overlapping sites on MDMX and p53 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 434 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167844 _Citation.Page_last 167844 _Citation.Year 2022 _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 Malissa Fenton M. . . . 51605 1 2 Wade Borcherds W. . . . 51605 1 3 Lihong Chen L. . . . 51605 1 4 Asokan Anbanandam A. . . . 51605 1 5 Robin Levy R. . . . 51605 1 6 Jiandong Chen J. . . . 51605 1 7 Gary Daughdrill G. . . . 51605 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein disorder, p53 mimicry, Autoinhibition, DNA binding, NMR, Effective concentration' 51605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51605 _Assembly.ID 1 _Assembly.Name 'Mutant human MDMX acidic domain, residues 170-260 W239S/W240S' _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 10388.10 _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 MDMX 1 $entity_1 . . yes native no no . . . 51605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51605 _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 ; GPLGSEDEDLIENLAQDETS RLDLGFEEWDVAGLPWWFLG NLRSNYTPRSNGSTDLQTNQ DVGTAIVSDTTDDLSSLNES VSEQLGVGIKVEAADT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The MDMX acidic domain, residues 170-260 mutated at W239S/W240S; including five residues that are left over after the HRV3C cleavage and remain intact N-terminally to the MDMX protein sequence, designated as residues 166-169. ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Mutant human MDMX acidic domain, residues 170-260 W200S/W201G' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Negative regulator of p53' 51605 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 1 165 GLY . 51605 1 2 166 PRO . 51605 1 3 167 LEU . 51605 1 4 168 GLY . 51605 1 5 169 SER . 51605 1 6 170 GLU . 51605 1 7 171 ASP . 51605 1 8 172 GLU . 51605 1 9 173 ASP . 51605 1 10 174 LEU . 51605 1 11 175 ILE . 51605 1 12 176 GLU . 51605 1 13 177 ASN . 51605 1 14 178 LEU . 51605 1 15 179 ALA . 51605 1 16 180 GLN . 51605 1 17 181 ASP . 51605 1 18 182 GLU . 51605 1 19 183 THR . 51605 1 20 184 SER . 51605 1 21 185 ARG . 51605 1 22 186 LEU . 51605 1 23 187 ASP . 51605 1 24 188 LEU . 51605 1 25 189 GLY . 51605 1 26 190 PHE . 51605 1 27 191 GLU . 51605 1 28 192 GLU . 51605 1 29 193 TRP . 51605 1 30 194 ASP . 51605 1 31 195 VAL . 51605 1 32 196 ALA . 51605 1 33 197 GLY . 51605 1 34 198 LEU . 51605 1 35 199 PRO . 51605 1 36 200 TRP . 51605 1 37 201 TRP . 51605 1 38 202 PHE . 51605 1 39 203 LEU . 51605 1 40 204 GLY . 51605 1 41 205 ASN . 51605 1 42 206 LEU . 51605 1 43 207 ARG . 51605 1 44 208 SER . 51605 1 45 209 ASN . 51605 1 46 210 TYR . 51605 1 47 211 THR . 51605 1 48 212 PRO . 51605 1 49 213 ARG . 51605 1 50 214 SER . 51605 1 51 215 ASN . 51605 1 52 216 GLY . 51605 1 53 217 SER . 51605 1 54 218 THR . 51605 1 55 219 ASP . 51605 1 56 220 LEU . 51605 1 57 221 GLN . 51605 1 58 222 THR . 51605 1 59 223 ASN . 51605 1 60 224 GLN . 51605 1 61 225 ASP . 51605 1 62 226 VAL . 51605 1 63 227 GLY . 51605 1 64 228 THR . 51605 1 65 229 ALA . 51605 1 66 230 ILE . 51605 1 67 231 VAL . 51605 1 68 232 SER . 51605 1 69 233 ASP . 51605 1 70 234 THR . 51605 1 71 235 THR . 51605 1 72 236 ASP . 51605 1 73 237 ASP . 51605 1 74 238 LEU . 51605 1 75 239 SER . 51605 1 76 240 SER . 51605 1 77 241 LEU . 51605 1 78 242 ASN . 51605 1 79 243 GLU . 51605 1 80 244 SER . 51605 1 81 245 VAL . 51605 1 82 246 SER . 51605 1 83 247 GLU . 51605 1 84 248 GLN . 51605 1 85 249 LEU . 51605 1 86 250 GLY . 51605 1 87 251 VAL . 51605 1 88 252 GLY . 51605 1 89 253 ILE . 51605 1 90 254 LYS . 51605 1 91 255 VAL . 51605 1 92 256 GLU . 51605 1 93 257 ALA . 51605 1 94 258 ALA . 51605 1 95 259 ASP . 51605 1 96 260 THR . 51605 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 51605 1 . PRO 2 2 51605 1 . LEU 3 3 51605 1 . GLY 4 4 51605 1 . SER 5 5 51605 1 . GLU 6 6 51605 1 . ASP 7 7 51605 1 . GLU 8 8 51605 1 . ASP 9 9 51605 1 . LEU 10 10 51605 1 . ILE 11 11 51605 1 . GLU 12 12 51605 1 . ASN 13 13 51605 1 . LEU 14 14 51605 1 . ALA 15 15 51605 1 . GLN 16 16 51605 1 . ASP 17 17 51605 1 . GLU 18 18 51605 1 . THR 19 19 51605 1 . SER 20 20 51605 1 . ARG 21 21 51605 1 . LEU 22 22 51605 1 . ASP 23 23 51605 1 . LEU 24 24 51605 1 . GLY 25 25 51605 1 . PHE 26 26 51605 1 . GLU 27 27 51605 1 . GLU 28 28 51605 1 . TRP 29 29 51605 1 . ASP 30 30 51605 1 . VAL 31 31 51605 1 . ALA 32 32 51605 1 . GLY 33 33 51605 1 . LEU 34 34 51605 1 . PRO 35 35 51605 1 . TRP 36 36 51605 1 . TRP 37 37 51605 1 . PHE 38 38 51605 1 . LEU 39 39 51605 1 . GLY 40 40 51605 1 . ASN 41 41 51605 1 . LEU 42 42 51605 1 . ARG 43 43 51605 1 . SER 44 44 51605 1 . ASN 45 45 51605 1 . TYR 46 46 51605 1 . THR 47 47 51605 1 . PRO 48 48 51605 1 . ARG 49 49 51605 1 . SER 50 50 51605 1 . ASN 51 51 51605 1 . GLY 52 52 51605 1 . SER 53 53 51605 1 . THR 54 54 51605 1 . ASP 55 55 51605 1 . LEU 56 56 51605 1 . GLN 57 57 51605 1 . THR 58 58 51605 1 . ASN 59 59 51605 1 . GLN 60 60 51605 1 . ASP 61 61 51605 1 . VAL 62 62 51605 1 . GLY 63 63 51605 1 . THR 64 64 51605 1 . ALA 65 65 51605 1 . ILE 66 66 51605 1 . VAL 67 67 51605 1 . SER 68 68 51605 1 . ASP 69 69 51605 1 . THR 70 70 51605 1 . THR 71 71 51605 1 . ASP 72 72 51605 1 . ASP 73 73 51605 1 . LEU 74 74 51605 1 . SER 75 75 51605 1 . SER 76 76 51605 1 . LEU 77 77 51605 1 . ASN 78 78 51605 1 . GLU 79 79 51605 1 . SER 80 80 51605 1 . VAL 81 81 51605 1 . SER 82 82 51605 1 . GLU 83 83 51605 1 . GLN 84 84 51605 1 . LEU 85 85 51605 1 . GLY 86 86 51605 1 . VAL 87 87 51605 1 . GLY 88 88 51605 1 . ILE 89 89 51605 1 . LYS 90 90 51605 1 . VAL 91 91 51605 1 . GLU 92 92 51605 1 . ALA 93 93 51605 1 . ALA 94 94 51605 1 . ASP 95 95 51605 1 . THR 96 96 51605 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 51605 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51605 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 51605 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . 'pGEX-6p-2 vector' . . . 51605 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51605 _Sample.ID 1 _Sample.Name 'Mutant human MDMX acidic domain, residues 170-260 W239S/W240S' _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 'Apo MDMX' '[U-13C; U-15N]' . . 1 $entity_1 . . 100 . . uM . . . . 51605 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 51605 1 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51605 1 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 51605 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51605 1 6 'sodium chloride' 'natural abundance' . . . . . . 66 . . mM . . . . 51605 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 51605 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 51605 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Mutant human MDMX acidic domain, residues 170-260 W239S/W240S' _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' 66 . mM 51605 1 pH 6.8 . pH 51605 1 pressure 1 . atm 51605 1 temperature 298 . K 51605 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51605 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.b20 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51605 1 'data analysis' . 51605 1 'peak picking' . 51605 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51605 _Software.ID 2 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51605 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51605 _Software.ID 3 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51605 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 51605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian VNMRS 800MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51605 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51605 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51605 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51605 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 51605 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS in D2O' _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 na indirect 0.251449530 . . . . . 51605 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . 51605 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51605 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 51605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Mutant human MDMX acidic domain, residues 170-260 W239S/W240S' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51605 1 2 '3D HNCACB' . . . 51605 1 3 '3D HNCO' . . . 51605 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 . . 51605 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 177.0049591 . . . . . . . . 166 P CO . 51605 1 2 . 1 . 1 2 2 PRO CA C 13 63.01697922 . . . . . . . . 166 P CA . 51605 1 3 . 1 . 1 2 2 PRO CB C 13 32.13000107 . . . . . . . . 166 P CB . 51605 1 4 . 1 . 1 3 3 LEU H H 1 8.678299904 . . . . . . . . 167 L H . 51605 1 5 . 1 . 1 3 3 LEU C C 13 177.9054718 . . . . . . . . 167 L CO . 51605 1 6 . 1 . 1 3 3 LEU CA C 13 55.28131104 . . . . . . . . 167 L CA . 51605 1 7 . 1 . 1 3 3 LEU CB C 13 41.83766937 . . . . . . . . 167 L CB . 51605 1 8 . 1 . 1 3 3 LEU N N 15 121.9445572 . . . . . . . . 167 L N . 51605 1 9 . 1 . 1 4 4 GLY H H 1 8.518210411 . . . . . . . . 168 G H . 51605 1 10 . 1 . 1 4 4 GLY C C 13 174.2380676 . . . . . . . . 168 G CO . 51605 1 11 . 1 . 1 4 4 GLY CA C 13 45.12108994 . . . . . . . . 168 G CA . 51605 1 12 . 1 . 1 4 4 GLY N N 15 110.5926971 . . . . . . . . 168 G N . 51605 1 13 . 1 . 1 5 5 SER H H 1 8.146129608 . . . . . . . . 169 S H . 51605 1 14 . 1 . 1 5 5 SER C C 13 174.8361969 . . . . . . . . 169 S CO . 51605 1 15 . 1 . 1 5 5 SER CA C 13 58.14424896 . . . . . . . . 169 S CA . 51605 1 16 . 1 . 1 5 5 SER CB C 13 63.71786118 . . . . . . . . 169 S CB . 51605 1 17 . 1 . 1 5 5 SER N N 15 115.7173691 . . . . . . . . 169 S N . 51605 1 18 . 1 . 1 6 6 GLU H H 1 8.735309601 . . . . . . . . 170 E H . 51605 1 19 . 1 . 1 6 6 GLU C C 13 176.3748016 . . . . . . . . 170 E CO . 51605 1 20 . 1 . 1 6 6 GLU CA C 13 56.89382172 . . . . . . . . 170 E CA . 51605 1 21 . 1 . 1 6 6 GLU CB C 13 29.64421082 . . . . . . . . 170 E CB . 51605 1 22 . 1 . 1 6 6 GLU N N 15 122.4893417 . . . . . . . . 170 E N . 51605 1 23 . 1 . 1 7 7 ASP H H 1 8.264120102 . . . . . . . . 171 D H . 51605 1 24 . 1 . 1 7 7 ASP C C 13 176.3753204 . . . . . . . . 171 D CO . 51605 1 25 . 1 . 1 7 7 ASP CA C 13 54.37847137 . . . . . . . . 171 D CA . 51605 1 26 . 1 . 1 7 7 ASP CB C 13 40.91667938 . . . . . . . . 171 D CB . 51605 1 27 . 1 . 1 7 7 ASP N N 15 120.307518 . . . . . . . . 171 D N . 51605 1 28 . 1 . 1 8 8 GLU H H 1 8.246800423 . . . . . . . . 172 E H . 51605 1 29 . 1 . 1 8 8 GLU C C 13 176.2784729 . . . . . . . . 172 E CO . 51605 1 30 . 1 . 1 8 8 GLU CA C 13 56.75574875 . . . . . . . . 172 E CA . 51605 1 31 . 1 . 1 8 8 GLU CB C 13 30.23110008 . . . . . . . . 172 E CB . 51605 1 32 . 1 . 1 8 8 GLU N N 15 121.0342712 . . . . . . . . 172 E N . 51605 1 33 . 1 . 1 9 9 ASP H H 1 8.354120255 . . . . . . . . 173 D H . 51605 1 34 . 1 . 1 9 9 ASP C C 13 176.0603485 . . . . . . . . 173 D CO . 51605 1 35 . 1 . 1 9 9 ASP CA C 13 54.36289978 . . . . . . . . 173 D CA . 51605 1 36 . 1 . 1 9 9 ASP CB C 13 40.77857971 . . . . . . . . 173 D CB . 51605 1 37 . 1 . 1 9 9 ASP N N 15 120.9107437 . . . . . . . . 173 D N . 51605 1 38 . 1 . 1 10 10 LEU H H 1 8.025449753 . . . . . . . . 174 L H . 51605 1 39 . 1 . 1 10 10 LEU C C 13 177.309845 . . . . . . . . 174 L CO . 51605 1 40 . 1 . 1 10 10 LEU CA C 13 55.10223007 . . . . . . . . 174 L CA . 51605 1 41 . 1 . 1 10 10 LEU CB C 13 42.03559875 . . . . . . . . 174 L CB . 51605 1 42 . 1 . 1 10 10 LEU N N 15 122.1791382 . . . . . . . . 174 L N . 51605 1 43 . 1 . 1 11 11 ILE H H 1 8.054080009 . . . . . . . . 175 I H . 51605 1 44 . 1 . 1 11 11 ILE C C 13 176.3961334 . . . . . . . . 175 I CO . 51605 1 45 . 1 . 1 11 11 ILE CA C 13 61.19110107 . . . . . . . . 175 I CA . 51605 1 46 . 1 . 1 11 11 ILE CB C 13 38.26145935 . . . . . . . . 175 I CB . 51605 1 47 . 1 . 1 11 11 ILE N N 15 122.0142593 . . . . . . . . 175 I N . 51605 1 48 . 1 . 1 12 12 GLU H H 1 8.4292202 . . . . . . . . 176 E H . 51605 1 49 . 1 . 1 12 12 GLU C C 13 176.0751648 . . . . . . . . 176 E CO . 51605 1 50 . 1 . 1 12 12 GLU CA C 13 56.59465027 . . . . . . . . 176 E CA . 51605 1 51 . 1 . 1 12 12 GLU CB C 13 30.17383957 . . . . . . . . 176 E CB . 51605 1 52 . 1 . 1 12 12 GLU N N 15 124.4459381 . . . . . . . . 176 E N . 51605 1 53 . 1 . 1 13 13 ASN H H 1 8.397999763 . . . . . . . . 177 N H . 51605 1 54 . 1 . 1 13 13 ASN C C 13 175.1031799 . . . . . . . . 177 N CO . 51605 1 55 . 1 . 1 13 13 ASN CA C 13 53.04681015 . . . . . . . . 177 N CA . 51605 1 56 . 1 . 1 13 13 ASN CB C 13 38.62845993 . . . . . . . . 177 N CB . 51605 1 57 . 1 . 1 13 13 ASN N N 15 119.8732224 . . . . . . . . 177 N N . 51605 1 58 . 1 . 1 14 14 LEU H H 1 8.18803978 . . . . . . . . 178 L H . 51605 1 59 . 1 . 1 14 14 LEU C C 13 177.1513367 . . . . . . . . 178 L CO . 51605 1 60 . 1 . 1 14 14 LEU CA C 13 55.07057953 . . . . . . . . 178 L CA . 51605 1 61 . 1 . 1 14 14 LEU CB C 13 42.1064682 . . . . . . . . 178 L CB . 51605 1 62 . 1 . 1 14 14 LEU N N 15 123.0002823 . . . . . . . . 178 L N . 51605 1 63 . 1 . 1 15 15 ALA H H 1 8.248129845 . . . . . . . . 179 A H . 51605 1 64 . 1 . 1 15 15 ALA C C 13 177.6833344 . . . . . . . . 179 A CO . 51605 1 65 . 1 . 1 15 15 ALA CA C 13 52.30614853 . . . . . . . . 179 A CA . 51605 1 66 . 1 . 1 15 15 ALA CB C 13 18.8568306 . . . . . . . . 179 A CB . 51605 1 67 . 1 . 1 15 15 ALA N N 15 124.5984268 . . . . . . . . 179 A N . 51605 1 68 . 1 . 1 16 16 GLN H H 1 8.256899834 . . . . . . . . 180 Q H . 51605 1 69 . 1 . 1 16 16 GLN C C 13 175.5354614 . . . . . . . . 180 Q CO . 51605 1 70 . 1 . 1 16 16 GLN CA C 13 55.63573074 . . . . . . . . 180 Q CA . 51605 1 71 . 1 . 1 16 16 GLN CB C 13 29.37207985 . . . . . . . . 180 Q CB . 51605 1 72 . 1 . 1 16 16 GLN N N 15 119.5191422 . . . . . . . . 180 Q N . 51605 1 73 . 1 . 1 17 17 ASP H H 1 8.394260406 . . . . . . . . 181 D H . 51605 1 74 . 1 . 1 17 17 ASP C C 13 176.5406494 . . . . . . . . 181 D CO . 51605 1 75 . 1 . 1 17 17 ASP CA C 13 54.19406128 . . . . . . . . 181 D CA . 51605 1 76 . 1 . 1 17 17 ASP CB C 13 40.93778992 . . . . . . . . 181 D CB . 51605 1 77 . 1 . 1 17 17 ASP N N 15 121.7851791 . . . . . . . . 181 D N . 51605 1 78 . 1 . 1 18 18 GLU H H 1 8.547320366 . . . . . . . . 182 E H . 51605 1 79 . 1 . 1 18 18 GLU C C 13 177.1632385 . . . . . . . . 182 E CO . 51605 1 80 . 1 . 1 18 18 GLU CA C 13 57.06613922 . . . . . . . . 182 E CA . 51605 1 81 . 1 . 1 18 18 GLU CB C 13 29.8216095 . . . . . . . . 182 E CB . 51605 1 82 . 1 . 1 18 18 GLU N N 15 121.8934784 . . . . . . . . 182 E N . 51605 1 83 . 1 . 1 19 19 THR H H 1 8.250510216 . . . . . . . . 183 T H . 51605 1 84 . 1 . 1 19 19 THR C C 13 175.1183167 . . . . . . . . 183 T CO . 51605 1 85 . 1 . 1 19 19 THR CA C 13 62.74792862 . . . . . . . . 183 T CA . 51605 1 86 . 1 . 1 19 19 THR CB C 13 69.23605347 . . . . . . . . 183 T CB . 51605 1 87 . 1 . 1 19 19 THR N N 15 114.2063675 . . . . . . . . 183 T N . 51605 1 88 . 1 . 1 20 20 SER H H 1 8.224849701 . . . . . . . . 184 S H . 51605 1 89 . 1 . 1 20 20 SER C C 13 174.5788574 . . . . . . . . 184 S CO . 51605 1 90 . 1 . 1 20 20 SER CA C 13 58.62894058 . . . . . . . . 184 S CA . 51605 1 91 . 1 . 1 20 20 SER CB C 13 63.36885071 . . . . . . . . 184 S CB . 51605 1 92 . 1 . 1 20 20 SER N N 15 117.9630127 . . . . . . . . 184 S N . 51605 1 93 . 1 . 1 21 21 ARG H H 1 8.140219688 . . . . . . . . 185 R H . 51605 1 94 . 1 . 1 21 21 ARG C C 13 176.2978058 . . . . . . . . 185 R CO . 51605 1 95 . 1 . 1 21 21 ARG CA C 13 56.07260895 . . . . . . . . 185 R CA . 51605 1 96 . 1 . 1 21 21 ARG CB C 13 30.43144989 . . . . . . . . 185 R CB . 51605 1 97 . 1 . 1 21 21 ARG N N 15 122.5056686 . . . . . . . . 185 R N . 51605 1 98 . 1 . 1 22 22 LEU H H 1 8.140760422 . . . . . . . . 186 L H . 51605 1 99 . 1 . 1 22 22 LEU C C 13 176.9991608 . . . . . . . . 186 L CO . 51605 1 100 . 1 . 1 22 22 LEU CA C 13 55.18069839 . . . . . . . . 186 L CA . 51605 1 101 . 1 . 1 22 22 LEU CB C 13 42.1268692 . . . . . . . . 186 L CB . 51605 1 102 . 1 . 1 22 22 LEU N N 15 122.5048065 . . . . . . . . 186 L N . 51605 1 103 . 1 . 1 23 23 ASP H H 1 8.288430214 . . . . . . . . 187 D H . 51605 1 104 . 1 . 1 23 23 ASP C C 13 176.0862122 . . . . . . . . 187 D CO . 51605 1 105 . 1 . 1 23 23 ASP CA C 13 53.96358871 . . . . . . . . 187 D CA . 51605 1 106 . 1 . 1 23 23 ASP CB C 13 40.70866013 . . . . . . . . 187 D CB . 51605 1 107 . 1 . 1 23 23 ASP N N 15 120.6382828 . . . . . . . . 187 D N . 51605 1 108 . 1 . 1 24 24 LEU H H 1 8.010439873 . . . . . . . . 188 L H . 51605 1 109 . 1 . 1 24 24 LEU C C 13 177.7545166 . . . . . . . . 188 L CO . 51605 1 110 . 1 . 1 24 24 LEU CA C 13 54.98567963 . . . . . . . . 188 L CA . 51605 1 111 . 1 . 1 24 24 LEU CB C 13 42.1231308 . . . . . . . . 188 L CB . 51605 1 112 . 1 . 1 24 24 LEU N N 15 122.0803223 . . . . . . . . 188 L N . 51605 1 113 . 1 . 1 25 25 GLY H H 1 8.354040146 . . . . . . . . 189 G H . 51605 1 114 . 1 . 1 25 25 GLY C C 13 173.9584808 . . . . . . . . 189 G CO . 51605 1 115 . 1 . 1 25 25 GLY CA C 13 45.14484024 . . . . . . . . 189 G CA . 51605 1 116 . 1 . 1 25 25 GLY N N 15 108.7372284 . . . . . . . . 189 G N . 51605 1 117 . 1 . 1 26 26 PHE H H 1 7.87830019 . . . . . . . . 190 F H . 51605 1 118 . 1 . 1 26 26 PHE C C 13 175.7396393 . . . . . . . . 190 F CO . 51605 1 119 . 1 . 1 26 26 PHE CA C 13 57.45679855 . . . . . . . . 190 F CA . 51605 1 120 . 1 . 1 26 26 PHE CB C 13 39.31111908 . . . . . . . . 190 F CB . 51605 1 121 . 1 . 1 26 26 PHE N N 15 119.3590622 . . . . . . . . 190 F N . 51605 1 122 . 1 . 1 27 27 GLU H H 1 8.449910164 . . . . . . . . 191 E H . 51605 1 123 . 1 . 1 27 27 GLU C C 13 176.4343719 . . . . . . . . 191 E CO . 51605 1 124 . 1 . 1 27 27 GLU CA C 13 56.58135986 . . . . . . . . 191 E CA . 51605 1 125 . 1 . 1 27 27 GLU CB C 13 29.78224945 . . . . . . . . 191 E CB . 51605 1 126 . 1 . 1 27 27 GLU N N 15 121.6422501 . . . . . . . . 191 E N . 51605 1 127 . 1 . 1 28 28 GLU H H 1 8.206359863 . . . . . . . . 192 E H . 51605 1 128 . 1 . 1 28 28 GLU C C 13 176.1464691 . . . . . . . . 192 E CO . 51605 1 129 . 1 . 1 28 28 GLU CA C 13 56.59785843 . . . . . . . . 192 E CA . 51605 1 130 . 1 . 1 28 28 GLU CB C 13 29.8339901 . . . . . . . . 192 E CB . 51605 1 131 . 1 . 1 28 28 GLU N N 15 120.4115982 . . . . . . . . 192 E N . 51605 1 132 . 1 . 1 29 29 TRP H H 1 7.818510056 . . . . . . . . 193 W H . 51605 1 133 . 1 . 1 29 29 TRP C C 13 175.9123535 . . . . . . . . 193 W CO . 51605 1 134 . 1 . 1 29 29 TRP CA C 13 56.69839096 . . . . . . . . 193 W CA . 51605 1 135 . 1 . 1 29 29 TRP CB C 13 29.57263947 . . . . . . . . 193 W CB . 51605 1 136 . 1 . 1 29 29 TRP N N 15 120.3666229 . . . . . . . . 193 W N . 51605 1 137 . 1 . 1 30 30 ASP H H 1 8.135560036 . . . . . . . . 194 D H . 51605 1 138 . 1 . 1 30 30 ASP C C 13 176.5962524 . . . . . . . . 194 D CO . 51605 1 139 . 1 . 1 30 30 ASP CA C 13 53.9668808 . . . . . . . . 194 D CA . 51605 1 140 . 1 . 1 30 30 ASP CB C 13 40.80767059 . . . . . . . . 194 D CB . 51605 1 141 . 1 . 1 30 30 ASP N N 15 121.760643 . . . . . . . . 194 D N . 51605 1 142 . 1 . 1 31 31 VAL H H 1 7.836120129 . . . . . . . . 195 V H . 51605 1 143 . 1 . 1 31 31 VAL C C 13 176.2640686 . . . . . . . . 195 V CO . 51605 1 144 . 1 . 1 31 31 VAL CA C 13 62.58610916 . . . . . . . . 195 V CA . 51605 1 145 . 1 . 1 31 31 VAL CB C 13 32.08374023 . . . . . . . . 195 V CB . 51605 1 146 . 1 . 1 31 31 VAL N N 15 119.480072 . . . . . . . . 195 V N . 51605 1 147 . 1 . 1 32 32 ALA H H 1 8.163319588 . . . . . . . . 196 A H . 51605 1 148 . 1 . 1 32 32 ALA C C 13 178.1691742 . . . . . . . . 196 A CO . 51605 1 149 . 1 . 1 32 32 ALA CA C 13 52.74349976 . . . . . . . . 196 A CA . 51605 1 150 . 1 . 1 32 32 ALA CB C 13 18.72983932 . . . . . . . . 196 A CB . 51605 1 151 . 1 . 1 32 32 ALA N N 15 124.7227707 . . . . . . . . 196 A N . 51605 1 152 . 1 . 1 33 33 GLY H H 1 8.049030304 . . . . . . . . 197 G H . 51605 1 153 . 1 . 1 33 33 GLY C C 13 173.761795 . . . . . . . . 197 G CO . 51605 1 154 . 1 . 1 33 33 GLY CA C 13 44.8712883 . . . . . . . . 197 G CA . 51605 1 155 . 1 . 1 33 33 GLY N N 15 106.928627 . . . . . . . . 197 G N . 51605 1 156 . 1 . 1 34 34 LEU H H 1 7.695049763 . . . . . . . . 198 L H . 51605 1 157 . 1 . 1 34 34 LEU CA C 13 52.52819061 . . . . . . . . 198 L CA . 51605 1 158 . 1 . 1 34 34 LEU CB C 13 41.47583008 . . . . . . . . 198 L CB . 51605 1 159 . 1 . 1 34 34 LEU N N 15 122.0703964 . . . . . . . . 198 L N . 51605 1 160 . 1 . 1 35 35 PRO C C 13 177.8245239 . . . . . . . . 199 P CO . 51605 1 161 . 1 . 1 35 35 PRO CA C 13 62.37490082 . . . . . . . . 199 P CA . 51605 1 162 . 1 . 1 35 35 PRO CB C 13 30.9193306 . . . . . . . . 199 P CB . 51605 1 163 . 1 . 1 36 36 TRP H H 1 7.914410114 . . . . . . . . 200 W H . 51605 1 164 . 1 . 1 36 36 TRP C C 13 176.8109894 . . . . . . . . 200 W CO . 51605 1 165 . 1 . 1 36 36 TRP CA C 13 58.2419281 . . . . . . . . 200 W CA . 51605 1 166 . 1 . 1 36 36 TRP CB C 13 28.32254028 . . . . . . . . 200 W CB . 51605 1 167 . 1 . 1 36 36 TRP N N 15 120.0085297 . . . . . . . . 200 W N . 51605 1 168 . 1 . 1 37 37 TRP H H 1 6.502449989 . . . . . . . . 201 W H . 51605 1 169 . 1 . 1 37 37 TRP C C 13 176.2730255 . . . . . . . . 201 W CO . 51605 1 170 . 1 . 1 37 37 TRP CA C 13 57.01258087 . . . . . . . . 201 W CA . 51605 1 171 . 1 . 1 37 37 TRP CB C 13 27.48081017 . . . . . . . . 201 W CB . 51605 1 172 . 1 . 1 37 37 TRP N N 15 117.9782562 . . . . . . . . 201 W N . 51605 1 173 . 1 . 1 38 38 PHE H H 1 7.236010075 . . . . . . . . 202 F H . 51605 1 174 . 1 . 1 38 38 PHE C C 13 175.9044037 . . . . . . . . 202 F CO . 51605 1 175 . 1 . 1 38 38 PHE CA C 13 58.37097168 . . . . . . . . 202 F CA . 51605 1 176 . 1 . 1 38 38 PHE CB C 13 39.08684921 . . . . . . . . 202 F CB . 51605 1 177 . 1 . 1 38 38 PHE N N 15 121.4692917 . . . . . . . . 202 F N . 51605 1 178 . 1 . 1 39 39 LEU H H 1 7.752759933 . . . . . . . . 203 L H . 51605 1 179 . 1 . 1 39 39 LEU C C 13 177.8349304 . . . . . . . . 203 L CO . 51605 1 180 . 1 . 1 39 39 LEU CA C 13 55.44178009 . . . . . . . . 203 L CA . 51605 1 181 . 1 . 1 39 39 LEU CB C 13 41.82950974 . . . . . . . . 203 L CB . 51605 1 182 . 1 . 1 39 39 LEU N N 15 121.4712219 . . . . . . . . 203 L N . 51605 1 183 . 1 . 1 40 40 GLY H H 1 7.869589806 . . . . . . . . 204 G H . 51605 1 184 . 1 . 1 40 40 GLY C C 13 174.1530304 . . . . . . . . 204 G CO . 51605 1 185 . 1 . 1 40 40 GLY CA C 13 45.60216904 . . . . . . . . 204 G CA . 51605 1 186 . 1 . 1 40 40 GLY N N 15 107.4126587 . . . . . . . . 204 G N . 51605 1 187 . 1 . 1 41 41 ASN H H 1 8.098199844 . . . . . . . . 205 N H . 51605 1 188 . 1 . 1 41 41 ASN C C 13 175.3301392 . . . . . . . . 205 N CO . 51605 1 189 . 1 . 1 41 41 ASN CA C 13 53.27194977 . . . . . . . . 205 N CA . 51605 1 190 . 1 . 1 41 41 ASN CB C 13 38.58058167 . . . . . . . . 205 N CB . 51605 1 191 . 1 . 1 41 41 ASN N N 15 118.4107819 . . . . . . . . 205 N N . 51605 1 192 . 1 . 1 42 42 LEU H H 1 8.039449692 . . . . . . . . 206 L H . 51605 1 193 . 1 . 1 42 42 LEU C C 13 177.4720001 . . . . . . . . 206 L CO . 51605 1 194 . 1 . 1 42 42 LEU CA C 13 55.47237015 . . . . . . . . 206 L CA . 51605 1 195 . 1 . 1 42 42 LEU CB C 13 42.01391983 . . . . . . . . 206 L CB . 51605 1 196 . 1 . 1 42 42 LEU N N 15 121.4425812 . . . . . . . . 206 L N . 51605 1 197 . 1 . 1 43 43 ARG H H 1 8.157549858 . . . . . . . . 207 R H . 51605 1 198 . 1 . 1 43 43 ARG C C 13 176.444931 . . . . . . . . 207 R CO . 51605 1 199 . 1 . 1 43 43 ARG CA C 13 56.13428879 . . . . . . . . 207 R CA . 51605 1 200 . 1 . 1 43 43 ARG CB C 13 30.39558029 . . . . . . . . 207 R CB . 51605 1 201 . 1 . 1 43 43 ARG N N 15 120.3383102 . . . . . . . . 207 R N . 51605 1 202 . 1 . 1 44 44 SER H H 1 8.141030312 . . . . . . . . 208 S H . 51605 1 203 . 1 . 1 44 44 SER C C 13 174.211792 . . . . . . . . 208 S CO . 51605 1 204 . 1 . 1 44 44 SER CA C 13 58.26805115 . . . . . . . . 208 S CA . 51605 1 205 . 1 . 1 44 44 SER CB C 13 63.59896851 . . . . . . . . 208 S CB . 51605 1 206 . 1 . 1 44 44 SER N N 15 115.6224136 . . . . . . . . 208 S N . 51605 1 207 . 1 . 1 45 45 ASN H H 1 8.303370476 . . . . . . . . 209 N H . 51605 1 208 . 1 . 1 45 45 ASN C C 13 174.5010223 . . . . . . . . 209 N CO . 51605 1 209 . 1 . 1 45 45 ASN CA C 13 53.06644821 . . . . . . . . 209 N CA . 51605 1 210 . 1 . 1 45 45 ASN CB C 13 38.53707123 . . . . . . . . 209 N CB . 51605 1 211 . 1 . 1 45 45 ASN N N 15 119.8340988 . . . . . . . . 209 N N . 51605 1 212 . 1 . 1 46 46 TYR H H 1 8.024180412 . . . . . . . . 210 Y H . 51605 1 213 . 1 . 1 46 46 TYR C C 13 175.1071472 . . . . . . . . 210 Y CO . 51605 1 214 . 1 . 1 46 46 TYR CA C 13 57.73097992 . . . . . . . . 210 Y CA . 51605 1 215 . 1 . 1 46 46 TYR CB C 13 38.83589935 . . . . . . . . 210 Y CB . 51605 1 216 . 1 . 1 46 46 TYR N N 15 120.7296677 . . . . . . . . 210 Y N . 51605 1 217 . 1 . 1 47 47 THR H H 1 7.928030014 . . . . . . . . 211 T H . 51605 1 218 . 1 . 1 47 47 THR CA C 13 59.02568054 . . . . . . . . 211 T CA . 51605 1 219 . 1 . 1 47 47 THR CB C 13 69.78323364 . . . . . . . . 211 T CB . 51605 1 220 . 1 . 1 47 47 THR N N 15 120.2281113 . . . . . . . . 211 T N . 51605 1 221 . 1 . 1 48 48 PRO C C 13 176.6757202 . . . . . . . . 212 P CO . 51605 1 222 . 1 . 1 48 48 PRO CA C 13 62.7816391 . . . . . . . . 212 P CA . 51605 1 223 . 1 . 1 48 48 PRO CB C 13 31.87358093 . . . . . . . . 212 P CB . 51605 1 224 . 1 . 1 49 49 ARG H H 1 8.377490044 . . . . . . . . 213 R H . 51605 1 225 . 1 . 1 49 49 ARG C C 13 176.3527832 . . . . . . . . 213 R CO . 51605 1 226 . 1 . 1 49 49 ARG CA C 13 55.79079056 . . . . . . . . 213 R CA . 51605 1 227 . 1 . 1 49 49 ARG CB C 13 30.67679977 . . . . . . . . 213 R CB . 51605 1 228 . 1 . 1 49 49 ARG N N 15 121.1781998 . . . . . . . . 213 R N . 51605 1 229 . 1 . 1 50 50 SER H H 1 8.359680176 . . . . . . . . 214 S H . 51605 1 230 . 1 . 1 50 50 SER C C 13 174.3957062 . . . . . . . . 214 S CO . 51605 1 231 . 1 . 1 50 50 SER CA C 13 57.8762207 . . . . . . . . 214 S CA . 51605 1 232 . 1 . 1 50 50 SER CB C 13 63.57881165 . . . . . . . . 214 S CB . 51605 1 233 . 1 . 1 50 50 SER N N 15 116.8712082 . . . . . . . . 214 S N . 51605 1 234 . 1 . 1 51 51 ASN H H 1 8.549650192 . . . . . . . . 215 N H . 51605 1 235 . 1 . 1 51 51 ASN C C 13 175.6854401 . . . . . . . . 215 N CO . 51605 1 236 . 1 . 1 51 51 ASN CA C 13 53.10142899 . . . . . . . . 215 N CA . 51605 1 237 . 1 . 1 51 51 ASN CB C 13 38.6511116 . . . . . . . . 215 N CB . 51605 1 238 . 1 . 1 51 51 ASN N N 15 120.9955978 . . . . . . . . 215 N N . 51605 1 239 . 1 . 1 52 52 GLY H H 1 8.399640083 . . . . . . . . 216 G H . 51605 1 240 . 1 . 1 52 52 GLY C C 13 174.2222443 . . . . . . . . 216 G CO . 51605 1 241 . 1 . 1 52 52 GLY CA C 13 45.14651871 . . . . . . . . 216 G CA . 51605 1 242 . 1 . 1 52 52 GLY N N 15 109.2462997 . . . . . . . . 216 G N . 51605 1 243 . 1 . 1 53 53 SER H H 1 8.224840164 . . . . . . . . 217 S H . 51605 1 244 . 1 . 1 53 53 SER C C 13 175.023056 . . . . . . . . 217 S CO . 51605 1 245 . 1 . 1 53 53 SER CA C 13 58.20009995 . . . . . . . . 217 S CA . 51605 1 246 . 1 . 1 53 53 SER CB C 13 63.64476013 . . . . . . . . 217 S CB . 51605 1 247 . 1 . 1 53 53 SER N N 15 115.6245499 . . . . . . . . 217 S N . 51605 1 248 . 1 . 1 54 54 THR H H 1 8.251930237 . . . . . . . . 218 T H . 51605 1 249 . 1 . 1 54 54 THR C C 13 174.292511 . . . . . . . . 218 T CO . 51605 1 250 . 1 . 1 54 54 THR CA C 13 61.71953964 . . . . . . . . 218 T CA . 51605 1 251 . 1 . 1 54 54 THR CB C 13 69.37683868 . . . . . . . . 218 T CB . 51605 1 252 . 1 . 1 54 54 THR N N 15 115.4347763 . . . . . . . . 218 T N . 51605 1 253 . 1 . 1 55 55 ASP H H 1 8.306220055 . . . . . . . . 219 D H . 51605 1 254 . 1 . 1 55 55 ASP C C 13 176.0641174 . . . . . . . . 219 D CO . 51605 1 255 . 1 . 1 55 55 ASP CA C 13 54.26226044 . . . . . . . . 219 D CA . 51605 1 256 . 1 . 1 55 55 ASP CB C 13 40.85678101 . . . . . . . . 219 D CB . 51605 1 257 . 1 . 1 55 55 ASP N N 15 122.7167435 . . . . . . . . 219 D N . 51605 1 258 . 1 . 1 56 56 LEU H H 1 8.146579742 . . . . . . . . 220 L H . 51605 1 259 . 1 . 1 56 56 LEU C C 13 177.4077301 . . . . . . . . 220 L CO . 51605 1 260 . 1 . 1 56 56 LEU CA C 13 55.25127029 . . . . . . . . 220 L CA . 51605 1 261 . 1 . 1 56 56 LEU CB C 13 42.12368011 . . . . . . . . 220 L CB . 51605 1 262 . 1 . 1 56 56 LEU N N 15 122.3406525 . . . . . . . . 220 L N . 51605 1 263 . 1 . 1 57 57 GLN H H 1 8.377980232 . . . . . . . . 221 Q H . 51605 1 264 . 1 . 1 57 57 GLN C C 13 176.2098236 . . . . . . . . 221 Q CO . 51605 1 265 . 1 . 1 57 57 GLN CA C 13 55.70870972 . . . . . . . . 221 Q CA . 51605 1 266 . 1 . 1 57 57 GLN CB C 13 29.17731094 . . . . . . . . 221 Q CB . 51605 1 267 . 1 . 1 57 57 GLN N N 15 120.8030396 . . . . . . . . 221 Q N . 51605 1 268 . 1 . 1 58 58 THR H H 1 8.139650345 . . . . . . . . 222 T H . 51605 1 269 . 1 . 1 58 58 THR C C 13 174.3316803 . . . . . . . . 222 T CO . 51605 1 270 . 1 . 1 58 58 THR CA C 13 61.6485405 . . . . . . . . 222 T CA . 51605 1 271 . 1 . 1 58 58 THR CB C 13 69.51006317 . . . . . . . . 222 T CB . 51605 1 272 . 1 . 1 58 58 THR N N 15 114.710762 . . . . . . . . 222 T N . 51605 1 273 . 1 . 1 59 59 ASN H H 1 8.445919991 . . . . . . . . 223 N H . 51605 1 274 . 1 . 1 59 59 ASN C C 13 175.0845947 . . . . . . . . 223 N CO . 51605 1 275 . 1 . 1 59 59 ASN CA C 13 53.20959091 . . . . . . . . 223 N CA . 51605 1 276 . 1 . 1 59 59 ASN CB C 13 38.59928894 . . . . . . . . 223 N CB . 51605 1 277 . 1 . 1 59 59 ASN N N 15 120.8269424 . . . . . . . . 223 N N . 51605 1 278 . 1 . 1 60 60 GLN H H 1 8.364999771 . . . . . . . . 224 Q H . 51605 1 279 . 1 . 1 60 60 GLN C C 13 175.6949768 . . . . . . . . 224 Q CO . 51605 1 280 . 1 . 1 60 60 GLN CA C 13 55.64191055 . . . . . . . . 224 Q CA . 51605 1 281 . 1 . 1 60 60 GLN CB C 13 29.2797699 . . . . . . . . 224 Q CB . 51605 1 282 . 1 . 1 60 60 GLN N N 15 120.6000366 . . . . . . . . 224 Q N . 51605 1 283 . 1 . 1 61 61 ASP H H 1 8.330010414 . . . . . . . . 225 D H . 51605 1 284 . 1 . 1 61 61 ASP C C 13 176.3529968 . . . . . . . . 225 D CO . 51605 1 285 . 1 . 1 61 61 ASP CA C 13 54.1452713 . . . . . . . . 225 D CA . 51605 1 286 . 1 . 1 61 61 ASP CB C 13 41.03004837 . . . . . . . . 225 D CB . 51605 1 287 . 1 . 1 61 61 ASP N N 15 121.3279572 . . . . . . . . 225 D N . 51605 1 288 . 1 . 1 62 62 VAL H H 1 8.077480316 . . . . . . . . 226 V H . 51605 1 289 . 1 . 1 62 62 VAL C C 13 176.7861023 . . . . . . . . 226 V CO . 51605 1 290 . 1 . 1 62 62 VAL CA C 13 62.23112106 . . . . . . . . 226 V CA . 51605 1 291 . 1 . 1 62 62 VAL CB C 13 32.29954147 . . . . . . . . 226 V CB . 51605 1 292 . 1 . 1 62 62 VAL N N 15 119.8279572 . . . . . . . . 226 V N . 51605 1 293 . 1 . 1 63 63 GLY H H 1 8.46560955 . . . . . . . . 227 G H . 51605 1 294 . 1 . 1 63 63 GLY C C 13 174.2947083 . . . . . . . . 227 G CO . 51605 1 295 . 1 . 1 63 63 GLY CA C 13 45.18785858 . . . . . . . . 227 G CA . 51605 1 296 . 1 . 1 63 63 GLY N N 15 111.758667 . . . . . . . . 227 G N . 51605 1 297 . 1 . 1 64 64 THR H H 1 7.97728014 . . . . . . . . 228 T H . 51605 1 298 . 1 . 1 64 64 THR C C 13 174.1502838 . . . . . . . . 228 T CO . 51605 1 299 . 1 . 1 64 64 THR CA C 13 61.52593994 . . . . . . . . 228 T CA . 51605 1 300 . 1 . 1 64 64 THR CB C 13 69.5443573 . . . . . . . . 228 T CB . 51605 1 301 . 1 . 1 64 64 THR N N 15 113.8901825 . . . . . . . . 228 T N . 51605 1 302 . 1 . 1 65 65 ALA H H 1 8.269229889 . . . . . . . . 229 A H . 51605 1 303 . 1 . 1 65 65 ALA C C 13 177.2943268 . . . . . . . . 229 A CO . 51605 1 304 . 1 . 1 65 65 ALA CA C 13 52.17670059 . . . . . . . . 229 A CA . 51605 1 305 . 1 . 1 65 65 ALA CB C 13 19.03112984 . . . . . . . . 229 A CB . 51605 1 306 . 1 . 1 65 65 ALA N N 15 126.9350586 . . . . . . . . 229 A N . 51605 1 307 . 1 . 1 66 66 ILE H H 1 8.160770416 . . . . . . . . 230 I H . 51605 1 308 . 1 . 1 66 66 ILE C C 13 176.2606506 . . . . . . . . 230 I CO . 51605 1 309 . 1 . 1 66 66 ILE CA C 13 60.725811 . . . . . . . . 230 I CA . 51605 1 310 . 1 . 1 66 66 ILE CB C 13 38.36983871 . . . . . . . . 230 I CB . 51605 1 311 . 1 . 1 66 66 ILE N N 15 121.1433029 . . . . . . . . 230 I N . 51605 1 312 . 1 . 1 67 67 VAL H H 1 8.284970284 . . . . . . . . 231 V H . 51605 1 313 . 1 . 1 67 67 VAL C C 13 175.8898315 . . . . . . . . 231 V CO . 51605 1 314 . 1 . 1 67 67 VAL CA C 13 61.79714966 . . . . . . . . 231 V CA . 51605 1 315 . 1 . 1 67 67 VAL CB C 13 32.65034866 . . . . . . . . 231 V CB . 51605 1 316 . 1 . 1 67 67 VAL N N 15 125.470253 . . . . . . . . 231 V N . 51605 1 317 . 1 . 1 68 68 SER H H 1 8.421279907 . . . . . . . . 232 S H . 51605 1 318 . 1 . 1 68 68 SER C C 13 174.0087585 . . . . . . . . 232 S CO . 51605 1 319 . 1 . 1 68 68 SER CA C 13 57.74568939 . . . . . . . . 232 S CA . 51605 1 320 . 1 . 1 68 68 SER CB C 13 63.77054977 . . . . . . . . 232 S CB . 51605 1 321 . 1 . 1 68 68 SER N N 15 120.2497101 . . . . . . . . 232 S N . 51605 1 322 . 1 . 1 69 69 ASP H H 1 8.436309814 . . . . . . . . 233 D H . 51605 1 323 . 1 . 1 69 69 ASP C C 13 176.3648071 . . . . . . . . 233 D CO . 51605 1 324 . 1 . 1 69 69 ASP CA C 13 54.12934113 . . . . . . . . 233 D CA . 51605 1 325 . 1 . 1 69 69 ASP CB C 13 41.04122925 . . . . . . . . 233 D CB . 51605 1 326 . 1 . 1 69 69 ASP N N 15 123.0578766 . . . . . . . . 233 D N . 51605 1 327 . 1 . 1 70 70 THR H H 1 8.200710297 . . . . . . . . 234 T H . 51605 1 328 . 1 . 1 70 70 THR C C 13 174.7548065 . . . . . . . . 234 T CO . 51605 1 329 . 1 . 1 70 70 THR CA C 13 61.35255051 . . . . . . . . 234 T CA . 51605 1 330 . 1 . 1 70 70 THR CB C 13 69.50961304 . . . . . . . . 234 T CB . 51605 1 331 . 1 . 1 70 70 THR N N 15 114.2480392 . . . . . . . . 234 T N . 51605 1 332 . 1 . 1 71 71 THR H H 1 8.235179901 . . . . . . . . 235 T H . 51605 1 333 . 1 . 1 71 71 THR C C 13 174.3093567 . . . . . . . . 235 T CO . 51605 1 334 . 1 . 1 71 71 THR CA C 13 61.73014832 . . . . . . . . 235 T CA . 51605 1 335 . 1 . 1 71 71 THR CB C 13 69.50070953 . . . . . . . . 235 T CB . 51605 1 336 . 1 . 1 71 71 THR N N 15 116.3088226 . . . . . . . . 235 T N . 51605 1 337 . 1 . 1 72 72 ASP H H 1 8.329219818 . . . . . . . . 236 D H . 51605 1 338 . 1 . 1 72 72 ASP C C 13 175.8381958 . . . . . . . . 236 D CO . 51605 1 339 . 1 . 1 72 72 ASP CA C 13 54.20214081 . . . . . . . . 236 D CA . 51605 1 340 . 1 . 1 72 72 ASP CB C 13 41.2109108 . . . . . . . . 236 D CB . 51605 1 341 . 1 . 1 72 72 ASP N N 15 122.9322205 . . . . . . . . 236 D N . 51605 1 342 . 1 . 1 73 73 ASP H H 1 8.325240135 . . . . . . . . 237 D H . 51605 1 343 . 1 . 1 73 73 ASP C C 13 176.6213074 . . . . . . . . 237 D CO . 51605 1 344 . 1 . 1 73 73 ASP CA C 13 54.16164017 . . . . . . . . 237 D CA . 51605 1 345 . 1 . 1 73 73 ASP CB C 13 40.85480881 . . . . . . . . 237 D CB . 51605 1 346 . 1 . 1 73 73 ASP N N 15 120.9153595 . . . . . . . . 237 D N . 51605 1 347 . 1 . 1 74 74 LEU H H 1 8.329099655 . . . . . . . . 238 L H . 51605 1 348 . 1 . 1 74 74 LEU C C 13 178.1458893 . . . . . . . . 238 L CO . 51605 1 349 . 1 . 1 74 74 LEU CA C 13 55.39717865 . . . . . . . . 238 L CA . 51605 1 350 . 1 . 1 74 74 LEU CB C 13 41.52373123 . . . . . . . . 238 L CB . 51605 1 351 . 1 . 1 74 74 LEU N N 15 122.947113 . . . . . . . . 238 L N . 51605 1 352 . 1 . 1 75 75 SER H H 1 8.319890022 . . . . . . . . 239 S H . 51605 1 353 . 1 . 1 75 75 SER C C 13 175.166626 . . . . . . . . 239 S CO . 51605 1 354 . 1 . 1 75 75 SER CA C 13 59.30672073 . . . . . . . . 239 S CA . 51605 1 355 . 1 . 1 75 75 SER CB C 13 63.23976135 . . . . . . . . 239 S CB . 51605 1 356 . 1 . 1 75 75 SER N N 15 116.2630005 . . . . . . . . 239 S N . 51605 1 357 . 1 . 1 76 76 SER H H 1 8.187419891 . . . . . . . . 240 S H . 51605 1 358 . 1 . 1 76 76 SER C C 13 174.6761627 . . . . . . . . 240 S CO . 51605 1 359 . 1 . 1 76 76 SER CA C 13 58.50479126 . . . . . . . . 240 S CA . 51605 1 360 . 1 . 1 76 76 SER CB C 13 63.3055191 . . . . . . . . 240 S CB . 51605 1 361 . 1 . 1 76 76 SER N N 15 117.2884369 . . . . . . . . 240 S N . 51605 1 362 . 1 . 1 77 77 LEU H H 1 8.015339851 . . . . . . . . 241 L H . 51605 1 363 . 1 . 1 77 77 LEU C C 13 177.2203522 . . . . . . . . 241 L CO . 51605 1 364 . 1 . 1 77 77 LEU CA C 13 55.35480881 . . . . . . . . 241 L CA . 51605 1 365 . 1 . 1 77 77 LEU CB C 13 41.97893143 . . . . . . . . 241 L CB . 51605 1 366 . 1 . 1 77 77 LEU N N 15 123.2822876 . . . . . . . . 241 L N . 51605 1 367 . 1 . 1 78 78 ASN H H 1 8.282239914 . . . . . . . . 242 N H . 51605 1 368 . 1 . 1 78 78 ASN C C 13 175.2281189 . . . . . . . . 242 N CO . 51605 1 369 . 1 . 1 78 78 ASN CA C 13 53.18196106 . . . . . . . . 242 N CA . 51605 1 370 . 1 . 1 78 78 ASN CB C 13 38.78342819 . . . . . . . . 242 N CB . 51605 1 371 . 1 . 1 78 78 ASN N N 15 119.0338593 . . . . . . . . 242 N N . 51605 1 372 . 1 . 1 79 79 GLU H H 1 8.33946991 . . . . . . . . 243 E H . 51605 1 373 . 1 . 1 79 79 GLU C C 13 176.4994507 . . . . . . . . 243 E CO . 51605 1 374 . 1 . 1 79 79 GLU CA C 13 56.63378906 . . . . . . . . 243 E CA . 51605 1 375 . 1 . 1 79 79 GLU CB C 13 30.10043907 . . . . . . . . 243 E CB . 51605 1 376 . 1 . 1 79 79 GLU N N 15 121.3431473 . . . . . . . . 243 E N . 51605 1 377 . 1 . 1 80 80 SER H H 1 8.353739738 . . . . . . . . 244 S H . 51605 1 378 . 1 . 1 80 80 SER C C 13 174.6947479 . . . . . . . . 244 S CO . 51605 1 379 . 1 . 1 80 80 SER CA C 13 58.23443985 . . . . . . . . 244 S CA . 51605 1 380 . 1 . 1 80 80 SER CB C 13 63.48331833 . . . . . . . . 244 S CB . 51605 1 381 . 1 . 1 80 80 SER N N 15 116.8780365 . . . . . . . . 244 S N . 51605 1 382 . 1 . 1 81 81 VAL H H 1 8.140720367 . . . . . . . . 245 V H . 51605 1 383 . 1 . 1 81 81 VAL C C 13 176.3811798 . . . . . . . . 245 V CO . 51605 1 384 . 1 . 1 81 81 VAL CA C 13 62.2742691 . . . . . . . . 245 V CA . 51605 1 385 . 1 . 1 81 81 VAL CB C 13 32.48099899 . . . . . . . . 245 V CB . 51605 1 386 . 1 . 1 81 81 VAL N N 15 121.6703262 . . . . . . . . 245 V N . 51605 1 387 . 1 . 1 82 82 SER H H 1 8.318510056 . . . . . . . . 246 S H . 51605 1 388 . 1 . 1 82 82 SER C C 13 174.8119507 . . . . . . . . 246 S CO . 51605 1 389 . 1 . 1 82 82 SER CA C 13 58.44723892 . . . . . . . . 246 S CA . 51605 1 390 . 1 . 1 82 82 SER CB C 13 63.49785995 . . . . . . . . 246 S CB . 51605 1 391 . 1 . 1 82 82 SER N N 15 118.9224625 . . . . . . . . 246 S N . 51605 1 392 . 1 . 1 83 83 GLU H H 1 8.418109894 . . . . . . . . 247 E H . 51605 1 393 . 1 . 1 83 83 GLU C C 13 176.5195313 . . . . . . . . 247 E CO . 51605 1 394 . 1 . 1 83 83 GLU CA C 13 56.71194839 . . . . . . . . 247 E CA . 51605 1 395 . 1 . 1 83 83 GLU CB C 13 30.00811005 . . . . . . . . 247 E CB . 51605 1 396 . 1 . 1 83 83 GLU N N 15 123.0632935 . . . . . . . . 247 E N . 51605 1 397 . 1 . 1 84 84 GLN H H 1 8.335249901 . . . . . . . . 248 Q H . 51605 1 398 . 1 . 1 84 84 GLN C C 13 175.9920044 . . . . . . . . 248 Q CO . 51605 1 399 . 1 . 1 84 84 GLN CA C 13 55.7085495 . . . . . . . . 248 Q CA . 51605 1 400 . 1 . 1 84 84 GLN CB C 13 29.04738998 . . . . . . . . 248 Q CB . 51605 1 401 . 1 . 1 84 84 GLN N N 15 120.9154129 . . . . . . . . 248 Q N . 51605 1 402 . 1 . 1 85 85 LEU H H 1 8.237709999 . . . . . . . . 249 L H . 51605 1 403 . 1 . 1 85 85 LEU C C 13 177.9452667 . . . . . . . . 249 L CO . 51605 1 404 . 1 . 1 85 85 LEU CA C 13 55.24831009 . . . . . . . . 249 L CA . 51605 1 405 . 1 . 1 85 85 LEU CB C 13 42.20009995 . . . . . . . . 249 L CB . 51605 1 406 . 1 . 1 85 85 LEU N N 15 123.069458 . . . . . . . . 249 L N . 51605 1 407 . 1 . 1 86 86 GLY H H 1 8.382109642 . . . . . . . . 250 G H . 51605 1 408 . 1 . 1 86 86 GLY C C 13 174.1422424 . . . . . . . . 250 G CO . 51605 1 409 . 1 . 1 86 86 GLY CA C 13 45.18664169 . . . . . . . . 250 G CA . 51605 1 410 . 1 . 1 86 86 GLY N N 15 109.5028534 . . . . . . . . 250 G N . 51605 1 411 . 1 . 1 87 87 VAL H H 1 7.927179813 . . . . . . . . 251 V H . 51605 1 412 . 1 . 1 87 87 VAL C C 13 176.6976318 . . . . . . . . 251 V CO . 51605 1 413 . 1 . 1 87 87 VAL CA C 13 62.12615967 . . . . . . . . 251 V CA . 51605 1 414 . 1 . 1 87 87 VAL CB C 13 32.42773056 . . . . . . . . 251 V CB . 51605 1 415 . 1 . 1 87 87 VAL N N 15 118.783371 . . . . . . . . 251 V N . 51605 1 416 . 1 . 1 88 88 GLY H H 1 8.479109764 . . . . . . . . 252 G H . 51605 1 417 . 1 . 1 88 88 GLY C C 13 173.7832336 . . . . . . . . 252 G CO . 51605 1 418 . 1 . 1 88 88 GLY CA C 13 44.98968124 . . . . . . . . 252 G CA . 51605 1 419 . 1 . 1 88 88 GLY N N 15 112.3504105 . . . . . . . . 252 G N . 51605 1 420 . 1 . 1 89 89 ILE H H 1 7.902850151 . . . . . . . . 253 I H . 51605 1 421 . 1 . 1 89 89 ILE C C 13 175.9568481 . . . . . . . . 253 I CO . 51605 1 422 . 1 . 1 89 89 ILE CA C 13 60.67313004 . . . . . . . . 253 I CA . 51605 1 423 . 1 . 1 89 89 ILE CB C 13 38.61014938 . . . . . . . . 253 I CB . 51605 1 424 . 1 . 1 89 89 ILE N N 15 120.2544022 . . . . . . . . 253 I N . 51605 1 425 . 1 . 1 90 90 LYS H H 1 8.405369759 . . . . . . . . 254 K H . 51605 1 426 . 1 . 1 90 90 LYS C C 13 176.0493164 . . . . . . . . 254 K CO . 51605 1 427 . 1 . 1 90 90 LYS CA C 13 55.75965881 . . . . . . . . 254 K CA . 51605 1 428 . 1 . 1 90 90 LYS CB C 13 32.89165115 . . . . . . . . 254 K CB . 51605 1 429 . 1 . 1 90 90 LYS N N 15 126.4813766 . . . . . . . . 254 K N . 51605 1 430 . 1 . 1 91 91 VAL H H 1 8.288169861 . . . . . . . . 255 V H . 51605 1 431 . 1 . 1 91 91 VAL C C 13 176.0009308 . . . . . . . . 255 V CO . 51605 1 432 . 1 . 1 91 91 VAL CA C 13 61.96469116 . . . . . . . . 255 V CA . 51605 1 433 . 1 . 1 91 91 VAL CB C 13 32.75949097 . . . . . . . . 255 V CB . 51605 1 434 . 1 . 1 91 91 VAL N N 15 123.492981 . . . . . . . . 255 V N . 51605 1 435 . 1 . 1 92 92 GLU H H 1 8.537540436 . . . . . . . . 256 E H . 51605 1 436 . 1 . 1 92 92 GLU C C 13 175.8865814 . . . . . . . . 256 E CO . 51605 1 437 . 1 . 1 92 92 GLU CA C 13 56.00748062 . . . . . . . . 256 E CA . 51605 1 438 . 1 . 1 92 92 GLU CB C 13 30.15446091 . . . . . . . . 256 E CB . 51605 1 439 . 1 . 1 92 92 GLU N N 15 125.5566635 . . . . . . . . 256 E N . 51605 1 440 . 1 . 1 93 93 ALA H H 1 8.370779991 . . . . . . . . 257 A H . 51605 1 441 . 1 . 1 93 93 ALA C C 13 177.1260376 . . . . . . . . 257 A CO . 51605 1 442 . 1 . 1 93 93 ALA CA C 13 52.07896042 . . . . . . . . 257 A CA . 51605 1 443 . 1 . 1 93 93 ALA CB C 13 19.20360947 . . . . . . . . 257 A CB . 51605 1 444 . 1 . 1 93 93 ALA N N 15 125.8070831 . . . . . . . . 257 A N . 51605 1 445 . 1 . 1 94 94 ALA H H 1 8.309260368 . . . . . . . . 258 A H . 51605 1 446 . 1 . 1 94 94 ALA C C 13 177.31073 . . . . . . . . 258 A CO . 51605 1 447 . 1 . 1 94 94 ALA CA C 13 52.0608902 . . . . . . . . 258 A CA . 51605 1 448 . 1 . 1 94 94 ALA CB C 13 19.32725906 . . . . . . . . 258 A CB . 51605 1 449 . 1 . 1 94 94 ALA N N 15 123.7379913 . . . . . . . . 258 A N . 51605 1 450 . 1 . 1 95 95 ASP H H 1 8.354539871 . . . . . . . . 259 D H . 51605 1 451 . 1 . 1 95 95 ASP C C 13 175.5407257 . . . . . . . . 259 D CO . 51605 1 452 . 1 . 1 95 95 ASP CA C 13 54.18442154 . . . . . . . . 259 D CA . 51605 1 453 . 1 . 1 95 95 ASP CB C 13 40.80855179 . . . . . . . . 259 D CB . 51605 1 454 . 1 . 1 95 95 ASP N N 15 119.975647 . . . . . . . . 259 D N . 51605 1 455 . 1 . 1 96 96 THR H H 1 7.672200203 . . . . . . . . 260 T H . 51605 1 456 . 1 . 1 96 96 THR CA C 13 62.86846161 . . . . . . . . 260 T CA . 51605 1 457 . 1 . 1 96 96 THR CB C 13 70.60410309 . . . . . . . . 260 T CB . 51605 1 458 . 1 . 1 96 96 THR N N 15 118.6950073 . . . . . . . . 260 T N . 51605 1 stop_ save_