data_51603 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51603 _Entry.Title ; Backbone 1H, 15N, 13C chemical Shift Assignments for the wild-type human MDMX acidic domain, residues 170-260 ; _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 wild-type MDMX acidic domain, residues 170-260' _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. . . 51603 2 Wade Borcherds . M. . . 51603 3 Lihong Chen . . . . 51603 4 Asokan Anbanandam . . . . 51603 5 Jiandong Chen . . . . 51603 6 Gary Daughdrill . W. . . 51603 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' . 51603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 51603 '15N chemical shifts' 92 51603 '1H chemical shifts' 92 51603 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' 51603 1 . . 2022-10-07 2022-08-31 original author 'original release' 51603 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51604 'mutant human MDMX acidic domain, residues 170-260 W200S/W201G' 51603 BMRB 51605 'mutant human MDMX acidic domain, residues 170-260 W239S/W240S' 51603 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51603 _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. . . . 51603 1 2 Wade Borcherds W. . . . 51603 1 3 Lihong Chen L. . . . 51603 1 4 Asokan Anbanandam A. . . . 51603 1 5 Robin Levy R. . . . 51603 1 6 Jiandong Chen J. . . . 51603 1 7 Gary Daughdrill G. . . . 51603 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein disorder, p53 mimicry, Autoinhibition, DNA binding, NMR, Effective concentration' 51603 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51603 _Assembly.ID 1 _Assembly.Name 'Wide Type human MDMX acidic domain, residues 170-260' _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 10547.33 _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 . . . 51603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51603 _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 DVGTAIVSDTTDDLWFLNES VSEQLGVGIKVEAADT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The MDMX acidic domain, residues 170-260; 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 'human MDMX acidic domain WT, residues 170-260' _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' 51603 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 . 51603 1 2 166 PRO . 51603 1 3 167 LEU . 51603 1 4 168 GLY . 51603 1 5 169 SER . 51603 1 6 170 GLU . 51603 1 7 171 ASP . 51603 1 8 172 GLU . 51603 1 9 173 ASP . 51603 1 10 174 LEU . 51603 1 11 175 ILE . 51603 1 12 176 GLU . 51603 1 13 177 ASN . 51603 1 14 178 LEU . 51603 1 15 179 ALA . 51603 1 16 180 GLN . 51603 1 17 181 ASP . 51603 1 18 182 GLU . 51603 1 19 183 THR . 51603 1 20 184 SER . 51603 1 21 185 ARG . 51603 1 22 186 LEU . 51603 1 23 187 ASP . 51603 1 24 188 LEU . 51603 1 25 189 GLY . 51603 1 26 190 PHE . 51603 1 27 191 GLU . 51603 1 28 192 GLU . 51603 1 29 193 TRP . 51603 1 30 194 ASP . 51603 1 31 195 VAL . 51603 1 32 196 ALA . 51603 1 33 197 GLY . 51603 1 34 198 LEU . 51603 1 35 199 PRO . 51603 1 36 200 TRP . 51603 1 37 201 TRP . 51603 1 38 202 PHE . 51603 1 39 203 LEU . 51603 1 40 204 GLY . 51603 1 41 205 ASN . 51603 1 42 206 LEU . 51603 1 43 207 ARG . 51603 1 44 208 SER . 51603 1 45 209 ASN . 51603 1 46 210 TYR . 51603 1 47 211 THR . 51603 1 48 212 PRO . 51603 1 49 213 ARG . 51603 1 50 214 SER . 51603 1 51 215 ASN . 51603 1 52 216 GLY . 51603 1 53 217 SER . 51603 1 54 218 THR . 51603 1 55 219 ASP . 51603 1 56 220 LEU . 51603 1 57 221 GLN . 51603 1 58 222 THR . 51603 1 59 223 ASN . 51603 1 60 224 GLN . 51603 1 61 225 ASP . 51603 1 62 226 VAL . 51603 1 63 227 GLY . 51603 1 64 228 THR . 51603 1 65 229 ALA . 51603 1 66 230 ILE . 51603 1 67 231 VAL . 51603 1 68 232 SER . 51603 1 69 233 ASP . 51603 1 70 234 THR . 51603 1 71 235 THR . 51603 1 72 236 ASP . 51603 1 73 237 ASP . 51603 1 74 238 LEU . 51603 1 75 239 TRP . 51603 1 76 240 PHE . 51603 1 77 241 LEU . 51603 1 78 242 ASN . 51603 1 79 243 GLU . 51603 1 80 244 SER . 51603 1 81 245 VAL . 51603 1 82 246 SER . 51603 1 83 247 GLU . 51603 1 84 248 GLN . 51603 1 85 249 LEU . 51603 1 86 250 GLY . 51603 1 87 251 VAL . 51603 1 88 252 GLY . 51603 1 89 253 ILE . 51603 1 90 254 LYS . 51603 1 91 255 VAL . 51603 1 92 256 GLU . 51603 1 93 257 ALA . 51603 1 94 258 ALA . 51603 1 95 259 ASP . 51603 1 96 260 THR . 51603 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 51603 1 . PRO 2 2 51603 1 . LEU 3 3 51603 1 . GLY 4 4 51603 1 . SER 5 5 51603 1 . GLU 6 6 51603 1 . ASP 7 7 51603 1 . GLU 8 8 51603 1 . ASP 9 9 51603 1 . LEU 10 10 51603 1 . ILE 11 11 51603 1 . GLU 12 12 51603 1 . ASN 13 13 51603 1 . LEU 14 14 51603 1 . ALA 15 15 51603 1 . GLN 16 16 51603 1 . ASP 17 17 51603 1 . GLU 18 18 51603 1 . THR 19 19 51603 1 . SER 20 20 51603 1 . ARG 21 21 51603 1 . LEU 22 22 51603 1 . ASP 23 23 51603 1 . LEU 24 24 51603 1 . GLY 25 25 51603 1 . PHE 26 26 51603 1 . GLU 27 27 51603 1 . GLU 28 28 51603 1 . TRP 29 29 51603 1 . ASP 30 30 51603 1 . VAL 31 31 51603 1 . ALA 32 32 51603 1 . GLY 33 33 51603 1 . LEU 34 34 51603 1 . PRO 35 35 51603 1 . TRP 36 36 51603 1 . TRP 37 37 51603 1 . PHE 38 38 51603 1 . LEU 39 39 51603 1 . GLY 40 40 51603 1 . ASN 41 41 51603 1 . LEU 42 42 51603 1 . ARG 43 43 51603 1 . SER 44 44 51603 1 . ASN 45 45 51603 1 . TYR 46 46 51603 1 . THR 47 47 51603 1 . PRO 48 48 51603 1 . ARG 49 49 51603 1 . SER 50 50 51603 1 . ASN 51 51 51603 1 . GLY 52 52 51603 1 . SER 53 53 51603 1 . THR 54 54 51603 1 . ASP 55 55 51603 1 . LEU 56 56 51603 1 . GLN 57 57 51603 1 . THR 58 58 51603 1 . ASN 59 59 51603 1 . GLN 60 60 51603 1 . ASP 61 61 51603 1 . VAL 62 62 51603 1 . GLY 63 63 51603 1 . THR 64 64 51603 1 . ALA 65 65 51603 1 . ILE 66 66 51603 1 . VAL 67 67 51603 1 . SER 68 68 51603 1 . ASP 69 69 51603 1 . THR 70 70 51603 1 . THR 71 71 51603 1 . ASP 72 72 51603 1 . ASP 73 73 51603 1 . LEU 74 74 51603 1 . TRP 75 75 51603 1 . PHE 76 76 51603 1 . LEU 77 77 51603 1 . ASN 78 78 51603 1 . GLU 79 79 51603 1 . SER 80 80 51603 1 . VAL 81 81 51603 1 . SER 82 82 51603 1 . GLU 83 83 51603 1 . GLN 84 84 51603 1 . LEU 85 85 51603 1 . GLY 86 86 51603 1 . VAL 87 87 51603 1 . GLY 88 88 51603 1 . ILE 89 89 51603 1 . LYS 90 90 51603 1 . VAL 91 91 51603 1 . GLU 92 92 51603 1 . ALA 93 93 51603 1 . ALA 94 94 51603 1 . ASP 95 95 51603 1 . THR 96 96 51603 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 51603 _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 . . . . . . . . . . . . . 51603 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 51603 _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' . . . 51603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51603 _Sample.ID 1 _Sample.Name 'Wide Type human MDMX acidic domain, residues 170-260' _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 . . . . 51603 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 51603 1 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51603 1 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 51603 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51603 1 6 'sodium chloride' 'natural abundance' . . . . . . 66 . . mM . . . . 51603 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 51603 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 51603 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Wide Type human MDMX acidic domain, residues 170-260' _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 51603 1 pH 6.8 . pH 51603 1 pressure 1 . atm 51603 1 temperature 298 . K 51603 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51603 _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' . 51603 1 'data analysis' . 51603 1 'peak picking' . 51603 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51603 _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 . 51603 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51603 _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 . 51603 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 51603 _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 51603 _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 . . . . . . . . . . . . . . . . . 51603 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51603 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51603 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 51603 _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 . . . . . 51603 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . 51603 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51603 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 51603 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Wide Type human MDMX acidic domain, residues 170-260' _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' . . . 51603 1 2 '3D HNCACB' . . . 51603 1 3 '3D HNCO' . . . 51603 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 . . 51603 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 13 176.9897919 . . . . . . . . 166 P CO . 51603 1 2 . 1 . 1 2 2 PRO CA C 13 62.99559021 . . . . . . . . 166 P CA . 51603 1 3 . 1 . 1 2 2 PRO CB C 13 32.14561081 . . . . . . . . 166 P CB . 51603 1 4 . 1 . 1 3 3 LEU H H 1 8.675359726 . . . . . . . . 167 L H . 51603 1 5 . 1 . 1 3 3 LEU C C 13 177.8981476 . . . . . . . . 167 L CO . 51603 1 6 . 1 . 1 3 3 LEU CA C 13 55.26710892 . . . . . . . . 167 L CA . 51603 1 7 . 1 . 1 3 3 LEU CB C 13 41.81718063 . . . . . . . . 167 L CB . 51603 1 8 . 1 . 1 3 3 LEU N N 15 121.9436798 . . . . . . . . 167 L N . 51603 1 9 . 1 . 1 4 4 GLY H H 1 8.514590263 . . . . . . . . 168 G H . 51603 1 10 . 1 . 1 4 4 GLY C C 13 174.2153931 . . . . . . . . 168 G CO . 51603 1 11 . 1 . 1 4 4 GLY CA C 13 45.09635162 . . . . . . . . 168 G CA . 51603 1 12 . 1 . 1 4 4 GLY N N 15 110.6101303 . . . . . . . . 168 G N . 51603 1 13 . 1 . 1 5 5 SER H H 1 8.138054848 . . . . . . . . 169 S H . 51603 1 14 . 1 . 1 5 5 SER C C 13 174.8161163 . . . . . . . . 169 S CO . 51603 1 15 . 1 . 1 5 5 SER CA C 13 58.08599854 . . . . . . . . 169 S CA . 51603 1 16 . 1 . 1 5 5 SER CB C 13 63.72174072 . . . . . . . . 169 S CB . 51603 1 17 . 1 . 1 5 5 SER N N 15 115.6876526 . . . . . . . . 169 S N . 51603 1 18 . 1 . 1 6 6 GLU H H 1 8.730569839 . . . . . . . . 170 E H . 51603 1 19 . 1 . 1 6 6 GLU C C 13 176.3614807 . . . . . . . . 170 E CO . 51603 1 20 . 1 . 1 6 6 GLU CA C 13 56.87969971 . . . . . . . . 170 E CA . 51603 1 21 . 1 . 1 6 6 GLU CB C 13 29.64164925 . . . . . . . . 170 E CB . 51603 1 22 . 1 . 1 6 6 GLU N N 15 122.4995422 . . . . . . . . 170 E N . 51603 1 23 . 1 . 1 7 7 ASP H H 1 8.256679535 . . . . . . . . 171 D H . 51603 1 24 . 1 . 1 7 7 ASP C C 13 176.353241 . . . . . . . . 171 D CO . 51603 1 25 . 1 . 1 7 7 ASP CA C 13 54.42238998 . . . . . . . . 171 D CA . 51603 1 26 . 1 . 1 7 7 ASP CB C 13 40.82489014 . . . . . . . . 171 D CB . 51603 1 27 . 1 . 1 7 7 ASP N N 15 120.3182831 . . . . . . . . 171 D N . 51603 1 28 . 1 . 1 8 8 GLU H H 1 8.239769936 . . . . . . . . 172 E H . 51603 1 29 . 1 . 1 8 8 GLU C C 13 176.2578735 . . . . . . . . 172 E CO . 51603 1 30 . 1 . 1 8 8 GLU CA C 13 56.71892929 . . . . . . . . 172 E CA . 51603 1 31 . 1 . 1 8 8 GLU CB C 13 30.26841927 . . . . . . . . 172 E CB . 51603 1 32 . 1 . 1 8 8 GLU N N 15 121.0516129 . . . . . . . . 172 E N . 51603 1 33 . 1 . 1 9 9 ASP H H 1 8.349729538 . . . . . . . . 173 D H . 51603 1 34 . 1 . 1 9 9 ASP C C 13 176.0275574 . . . . . . . . 173 D CO . 51603 1 35 . 1 . 1 9 9 ASP CA C 13 54.36743164 . . . . . . . . 173 D CA . 51603 1 36 . 1 . 1 9 9 ASP CB C 13 40.78340912 . . . . . . . . 173 D CB . 51603 1 37 . 1 . 1 9 9 ASP N N 15 120.9648438 . . . . . . . . 173 D N . 51603 1 38 . 1 . 1 10 10 LEU H H 1 8.021173477 . . . . . . . . 174 L H . 51603 1 39 . 1 . 1 10 10 LEU C C 13 177.279541 . . . . . . . . 174 L CO . 51603 1 40 . 1 . 1 10 10 LEU CA C 13 54.9896698 . . . . . . . . 174 L CA . 51603 1 41 . 1 . 1 10 10 LEU CB C 13 42.03836823 . . . . . . . . 174 L CB . 51603 1 42 . 1 . 1 10 10 LEU N N 15 122.1895599 . . . . . . . . 174 L N . 51603 1 43 . 1 . 1 11 11 ILE H H 1 8.054120064 . . . . . . . . 175 I H . 51603 1 44 . 1 . 1 11 11 ILE C C 13 176.3538818 . . . . . . . . 175 I CO . 51603 1 45 . 1 . 1 11 11 ILE CA C 13 61.16197968 . . . . . . . . 175 I CA . 51603 1 46 . 1 . 1 11 11 ILE CB C 13 38.28255081 . . . . . . . . 175 I CB . 51603 1 47 . 1 . 1 11 11 ILE N N 15 122.1185303 . . . . . . . . 175 I N . 51603 1 48 . 1 . 1 12 12 GLU H H 1 8.430290222 . . . . . . . . 176 E H . 51603 1 49 . 1 . 1 12 12 GLU C C 13 176.0286102 . . . . . . . . 176 E CO . 51603 1 50 . 1 . 1 12 12 GLU CA C 13 56.57820892 . . . . . . . . 176 E CA . 51603 1 51 . 1 . 1 12 12 GLU CB C 13 30.19944 . . . . . . . . 176 E CB . 51603 1 52 . 1 . 1 12 12 GLU N N 15 124.5456772 . . . . . . . . 176 E N . 51603 1 53 . 1 . 1 13 13 ASN H H 1 8.401358604 . . . . . . . . 177 N H . 51603 1 54 . 1 . 1 13 13 ASN C C 13 175.074707 . . . . . . . . 177 N CO . 51603 1 55 . 1 . 1 13 13 ASN CA C 13 53.01958084 . . . . . . . . 177 N CA . 51603 1 56 . 1 . 1 13 13 ASN CB C 13 38.61623001 . . . . . . . . 177 N CB . 51603 1 57 . 1 . 1 13 13 ASN N N 15 119.9289322 . . . . . . . . 177 N N . 51603 1 58 . 1 . 1 14 14 LEU H H 1 8.188969612 . . . . . . . . 178 L H . 51603 1 59 . 1 . 1 14 14 LEU C C 13 177.1269226 . . . . . . . . 178 L CO . 51603 1 60 . 1 . 1 14 14 LEU CA C 13 54.99300003 . . . . . . . . 178 L CA . 51603 1 61 . 1 . 1 14 14 LEU CB C 13 42.11724854 . . . . . . . . 178 L CB . 51603 1 62 . 1 . 1 14 14 LEU N N 15 123.0292969 . . . . . . . . 178 L N . 51603 1 63 . 1 . 1 15 15 ALA H H 1 8.245800018 . . . . . . . . 179 A H . 51603 1 64 . 1 . 1 15 15 ALA C C 13 177.6615906 . . . . . . . . 179 A CO . 51603 1 65 . 1 . 1 15 15 ALA CA C 13 52.30015182 . . . . . . . . 179 A CA . 51603 1 66 . 1 . 1 15 15 ALA CB C 13 18.83090973 . . . . . . . . 179 A CB . 51603 1 67 . 1 . 1 15 15 ALA N N 15 124.6459503 . . . . . . . . 179 A N . 51603 1 68 . 1 . 1 16 16 GLN H H 1 8.257240295 . . . . . . . . 180 Q H . 51603 1 69 . 1 . 1 16 16 GLN C C 13 175.5132751 . . . . . . . . 180 Q CO . 51603 1 70 . 1 . 1 16 16 GLN CA C 13 55.59690094 . . . . . . . . 180 Q CA . 51603 1 71 . 1 . 1 16 16 GLN CB C 13 29.34263039 . . . . . . . . 180 Q CB . 51603 1 72 . 1 . 1 16 16 GLN N N 15 119.5539169 . . . . . . . . 180 Q N . 51603 1 73 . 1 . 1 17 17 ASP H H 1 8.383090019 . . . . . . . . 181 D H . 51603 1 74 . 1 . 1 17 17 ASP C C 13 176.5118103 . . . . . . . . 181 D CO . 51603 1 75 . 1 . 1 17 17 ASP CA C 13 54.19961166 . . . . . . . . 181 D CA . 51603 1 76 . 1 . 1 17 17 ASP CB C 13 40.93603897 . . . . . . . . 181 D CB . 51603 1 77 . 1 . 1 17 17 ASP N N 15 121.751503 . . . . . . . . 181 D N . 51603 1 78 . 1 . 1 18 18 GLU H H 1 8.542550087 . . . . . . . . 182 E H . 51603 1 79 . 1 . 1 18 18 GLU C C 13 177.1344147 . . . . . . . . 182 E CO . 51603 1 80 . 1 . 1 18 18 GLU CA C 13 57.02299881 . . . . . . . . 182 E CA . 51603 1 81 . 1 . 1 18 18 GLU CB C 13 29.82774925 . . . . . . . . 182 E CB . 51603 1 82 . 1 . 1 18 18 GLU N N 15 121.9221878 . . . . . . . . 182 E N . 51603 1 83 . 1 . 1 19 19 THR H H 1 8.245929718 . . . . . . . . 183 T H . 51603 1 84 . 1 . 1 19 19 THR C C 13 175.0834808 . . . . . . . . 183 T CO . 51603 1 85 . 1 . 1 19 19 THR CA C 13 62.69662857 . . . . . . . . 183 T CA . 51603 1 86 . 1 . 1 19 19 THR CB C 13 69.23821259 . . . . . . . . 183 T CB . 51603 1 87 . 1 . 1 19 19 THR N N 15 114.2650681 . . . . . . . . 183 T N . 51603 1 88 . 1 . 1 20 20 SER H H 1 8.223790169 . . . . . . . . 184 S H . 51603 1 89 . 1 . 1 20 20 SER C C 13 174.5433197 . . . . . . . . 184 S CO . 51603 1 90 . 1 . 1 20 20 SER CA C 13 58.58008957 . . . . . . . . 184 S CA . 51603 1 91 . 1 . 1 20 20 SER CB C 13 63.3717804 . . . . . . . . 184 S CB . 51603 1 92 . 1 . 1 20 20 SER N N 15 118.009697 . . . . . . . . 184 S N . 51603 1 93 . 1 . 1 21 21 ARG H H 1 8.140621185 . . . . . . . . 185 R H . 51603 1 94 . 1 . 1 21 21 ARG C C 13 176.2646637 . . . . . . . . 185 R CO . 51603 1 95 . 1 . 1 21 21 ARG CA C 13 56.0785408 . . . . . . . . 185 R CA . 51603 1 96 . 1 . 1 21 21 ARG CB C 13 30.43675041 . . . . . . . . 185 R CB . 51603 1 97 . 1 . 1 21 21 ARG N N 15 122.5790558 . . . . . . . . 185 R N . 51603 1 98 . 1 . 1 22 22 LEU H H 1 8.134750366 . . . . . . . . 186 L H . 51603 1 99 . 1 . 1 22 22 LEU C C 13 176.9663391 . . . . . . . . 186 L CO . 51603 1 100 . 1 . 1 22 22 LEU CA C 13 55.14305115 . . . . . . . . 186 L CA . 51603 1 101 . 1 . 1 22 22 LEU CB C 13 42.14310074 . . . . . . . . 186 L CB . 51603 1 102 . 1 . 1 22 22 LEU N N 15 122.5619736 . . . . . . . . 186 L N . 51603 1 103 . 1 . 1 23 23 ASP H H 1 8.279999733 . . . . . . . . 187 D H . 51603 1 104 . 1 . 1 23 23 ASP C C 13 176.0697021 . . . . . . . . 187 D CO . 51603 1 105 . 1 . 1 23 23 ASP CA C 13 53.99565887 . . . . . . . . 187 D CA . 51603 1 106 . 1 . 1 23 23 ASP CB C 13 40.79700089 . . . . . . . . 187 D CB . 51603 1 107 . 1 . 1 23 23 ASP N N 15 120.6861725 . . . . . . . . 187 D N . 51603 1 108 . 1 . 1 24 24 LEU H H 1 8.009522438 . . . . . . . . 188 L H . 51603 1 109 . 1 . 1 24 24 LEU C C 13 177.7370453 . . . . . . . . 188 L CO . 51603 1 110 . 1 . 1 24 24 LEU CA C 13 55.00777817 . . . . . . . . 188 L CA . 51603 1 111 . 1 . 1 24 24 LEU CB C 13 42.08234024 . . . . . . . . 188 L CB . 51603 1 112 . 1 . 1 24 24 LEU N N 15 122.1639099 . . . . . . . . 188 L N . 51603 1 113 . 1 . 1 25 25 GLY H H 1 8.350090027 . . . . . . . . 189 G H . 51603 1 114 . 1 . 1 25 25 GLY C C 13 173.9273529 . . . . . . . . 189 G CO . 51603 1 115 . 1 . 1 25 25 GLY CA C 13 45.12789154 . . . . . . . . 189 G CA . 51603 1 116 . 1 . 1 25 25 GLY N N 15 108.7639694 . . . . . . . . 189 G N . 51603 1 117 . 1 . 1 26 26 PHE H H 1 7.873069763 . . . . . . . . 190 F H . 51603 1 118 . 1 . 1 26 26 PHE C C 13 175.7123413 . . . . . . . . 190 F CO . 51603 1 119 . 1 . 1 26 26 PHE CA C 13 57.42380142 . . . . . . . . 190 F CA . 51603 1 120 . 1 . 1 26 26 PHE CB C 13 39.28984833 . . . . . . . . 190 F CB . 51603 1 121 . 1 . 1 26 26 PHE N N 15 119.3714218 . . . . . . . . 190 F N . 51603 1 122 . 1 . 1 27 27 GLU H H 1 8.448730469 . . . . . . . . 191 E H . 51603 1 123 . 1 . 1 27 27 GLU C C 13 176.415741 . . . . . . . . 191 E CO . 51603 1 124 . 1 . 1 27 27 GLU CA C 13 56.5909996 . . . . . . . . 191 E CA . 51603 1 125 . 1 . 1 27 27 GLU CB C 13 29.7882309 . . . . . . . . 191 E CB . 51603 1 126 . 1 . 1 27 27 GLU N N 15 121.6716995 . . . . . . . . 191 E N . 51603 1 127 . 1 . 1 28 28 GLU H H 1 8.204999924 . . . . . . . . 192 E H . 51603 1 128 . 1 . 1 28 28 GLU C C 13 176.1348267 . . . . . . . . 192 E CO . 51603 1 129 . 1 . 1 28 28 GLU CA C 13 56.58700943 . . . . . . . . 192 E CA . 51603 1 130 . 1 . 1 28 28 GLU CB C 13 29.83814049 . . . . . . . . 192 E CB . 51603 1 131 . 1 . 1 28 28 GLU N N 15 120.4338226 . . . . . . . . 192 E N . 51603 1 132 . 1 . 1 29 29 TRP H H 1 7.814249992 . . . . . . . . 193 W H . 51603 1 133 . 1 . 1 29 29 TRP C C 13 175.8666992 . . . . . . . . 193 W CO . 51603 1 134 . 1 . 1 29 29 TRP CA C 13 56.67399979 . . . . . . . . 193 W CA . 51603 1 135 . 1 . 1 29 29 TRP CB C 13 29.5652504 . . . . . . . . 193 W CB . 51603 1 136 . 1 . 1 29 29 TRP N N 15 120.3884506 . . . . . . . . 193 W N . 51603 1 137 . 1 . 1 30 30 ASP H H 1 8.127120018 . . . . . . . . 194 D H . 51603 1 138 . 1 . 1 30 30 ASP C C 13 176.5769043 . . . . . . . . 194 D CO . 51603 1 139 . 1 . 1 30 30 ASP CA C 13 53.97164917 . . . . . . . . 194 D CA . 51603 1 140 . 1 . 1 30 30 ASP CB C 13 40.81990051 . . . . . . . . 194 D CB . 51603 1 141 . 1 . 1 30 30 ASP N N 15 121.7952118 . . . . . . . . 194 D N . 51603 1 142 . 1 . 1 31 31 VAL H H 1 7.832369804 . . . . . . . . 195 V H . 51603 1 143 . 1 . 1 31 31 VAL C C 13 176.243454 . . . . . . . . 195 V CO . 51603 1 144 . 1 . 1 31 31 VAL CA C 13 62.55435181 . . . . . . . . 195 V CA . 51603 1 145 . 1 . 1 31 31 VAL CB C 13 32.0864296 . . . . . . . . 195 V CB . 51603 1 146 . 1 . 1 31 31 VAL N N 15 119.5210724 . . . . . . . . 195 V N . 51603 1 147 . 1 . 1 32 32 ALA H H 1 8.157110214 . . . . . . . . 196 A H . 51603 1 148 . 1 . 1 32 32 ALA C C 13 178.1420593 . . . . . . . . 196 A CO . 51603 1 149 . 1 . 1 32 32 ALA CA C 13 52.74552155 . . . . . . . . 196 A CA . 51603 1 150 . 1 . 1 32 32 ALA CB C 13 18.74751091 . . . . . . . . 196 A CB . 51603 1 151 . 1 . 1 32 32 ALA N N 15 124.7431107 . . . . . . . . 196 A N . 51603 1 152 . 1 . 1 33 33 GLY H H 1 8.041219711 . . . . . . . . 197 G H . 51603 1 153 . 1 . 1 33 33 GLY C C 13 173.7351074 . . . . . . . . 197 G CO . 51603 1 154 . 1 . 1 33 33 GLY CA C 13 44.84930038 . . . . . . . . 197 G CA . 51603 1 155 . 1 . 1 33 33 GLY N N 15 106.9204865 . . . . . . . . 197 G N . 51603 1 156 . 1 . 1 34 34 LEU H H 1 7.686369896 . . . . . . . . 198 L H . 51603 1 157 . 1 . 1 34 34 LEU CA C 13 52.50138092 . . . . . . . . 198 L CA . 51603 1 158 . 1 . 1 34 34 LEU CB C 13 41.44948959 . . . . . . . . 198 L CB . 51603 1 159 . 1 . 1 34 34 LEU N N 15 122.0408707 . . . . . . . . 198 L N . 51603 1 160 . 1 . 1 35 35 PRO C C 13 177.8116913 . . . . . . . . 199 P CO . 51603 1 161 . 1 . 1 35 35 PRO CA C 13 62.36289978 . . . . . . . . 199 P CA . 51603 1 162 . 1 . 1 35 35 PRO CB C 13 30.9116497 . . . . . . . . 199 P CB . 51603 1 163 . 1 . 1 36 36 TRP H H 1 7.915289879 . . . . . . . . 200 W H . 51603 1 164 . 1 . 1 36 36 TRP C C 13 176.7953644 . . . . . . . . 200 W CO . 51603 1 165 . 1 . 1 36 36 TRP CA C 13 58.24629974 . . . . . . . . 200 W CA . 51603 1 166 . 1 . 1 36 36 TRP CB C 13 28.30067062 . . . . . . . . 200 W CB . 51603 1 167 . 1 . 1 36 36 TRP N N 15 120.0618668 . . . . . . . . 200 W N . 51603 1 168 . 1 . 1 37 37 TRP H H 1 6.475319862 . . . . . . . . 201 W H . 51603 1 169 . 1 . 1 37 37 TRP C C 13 176.2457275 . . . . . . . . 201 W CO . 51603 1 170 . 1 . 1 37 37 TRP CA C 13 56.96039963 . . . . . . . . 201 W CA . 51603 1 171 . 1 . 1 37 37 TRP CB C 13 27.41010094 . . . . . . . . 201 W CB . 51603 1 172 . 1 . 1 37 37 TRP N N 15 117.9304962 . . . . . . . . 201 W N . 51603 1 173 . 1 . 1 38 38 PHE H H 1 7.21284008 . . . . . . . . 202 F H . 51603 1 174 . 1 . 1 38 38 PHE C C 13 175.8777008 . . . . . . . . 202 F CO . 51603 1 175 . 1 . 1 38 38 PHE CA C 13 58.37268066 . . . . . . . . 202 F CA . 51603 1 176 . 1 . 1 38 38 PHE CB C 13 39.06428909 . . . . . . . . 202 F CB . 51603 1 177 . 1 . 1 38 38 PHE N N 15 121.4762268 . . . . . . . . 202 F N . 51603 1 178 . 1 . 1 39 39 LEU H H 1 7.74255991 . . . . . . . . 203 L H . 51603 1 179 . 1 . 1 39 39 LEU C C 13 177.8166962 . . . . . . . . 203 L CO . 51603 1 180 . 1 . 1 39 39 LEU CA C 13 55.42552948 . . . . . . . . 203 L CA . 51603 1 181 . 1 . 1 39 39 LEU CB C 13 41.8144989 . . . . . . . . 203 L CB . 51603 1 182 . 1 . 1 39 39 LEU N N 15 121.4275284 . . . . . . . . 203 L N . 51603 1 183 . 1 . 1 40 40 GLY H H 1 7.859920025 . . . . . . . . 204 G H . 51603 1 184 . 1 . 1 40 40 GLY C C 13 174.1308289 . . . . . . . . 204 G CO . 51603 1 185 . 1 . 1 40 40 GLY CA C 13 45.58990097 . . . . . . . . 204 G CA . 51603 1 186 . 1 . 1 40 40 GLY N N 15 107.3709412 . . . . . . . . 204 G N . 51603 1 187 . 1 . 1 41 41 ASN H H 1 8.083200455 . . . . . . . . 205 N H . 51603 1 188 . 1 . 1 41 41 ASN C C 13 175.3156433 . . . . . . . . 205 N CO . 51603 1 189 . 1 . 1 41 41 ASN CA C 13 53.2686615 . . . . . . . . 205 N CA . 51603 1 190 . 1 . 1 41 41 ASN CB C 13 38.58750153 . . . . . . . . 205 N CB . 51603 1 191 . 1 . 1 41 41 ASN N N 15 118.4107437 . . . . . . . . 205 N N . 51603 1 192 . 1 . 1 42 42 LEU H H 1 8.027979851 . . . . . . . . 206 L H . 51603 1 193 . 1 . 1 42 42 LEU C C 13 177.4574127 . . . . . . . . 206 L CO . 51603 1 194 . 1 . 1 42 42 LEU CA C 13 55.47451019 . . . . . . . . 206 L CA . 51603 1 195 . 1 . 1 42 42 LEU CB C 13 41.9679985 . . . . . . . . 206 L CB . 51603 1 196 . 1 . 1 42 42 LEU N N 15 121.4106827 . . . . . . . . 206 L N . 51603 1 197 . 1 . 1 43 43 ARG H H 1 8.146289825 . . . . . . . . 207 R H . 51603 1 198 . 1 . 1 43 43 ARG C C 13 176.4344635 . . . . . . . . 207 R CO . 51603 1 199 . 1 . 1 43 43 ARG CA C 13 56.14223862 . . . . . . . . 207 R CA . 51603 1 200 . 1 . 1 43 43 ARG CB C 13 30.36689949 . . . . . . . . 207 R CB . 51603 1 201 . 1 . 1 43 43 ARG N N 15 120.2883072 . . . . . . . . 207 R N . 51603 1 202 . 1 . 1 44 44 SER H H 1 8.128084183 . . . . . . . . 208 S H . 51603 1 203 . 1 . 1 44 44 SER C C 13 174.1802521 . . . . . . . . 208 S CO . 51603 1 204 . 1 . 1 44 44 SER CA C 13 58.24539185 . . . . . . . . 208 S CA . 51603 1 205 . 1 . 1 44 44 SER CB C 13 63.43883896 . . . . . . . . 208 S CB . 51603 1 206 . 1 . 1 44 44 SER N N 15 115.6005325 . . . . . . . . 208 S N . 51603 1 207 . 1 . 1 45 45 ASN H H 1 8.286520004 . . . . . . . . 209 N H . 51603 1 208 . 1 . 1 45 45 ASN C C 13 174.4636078 . . . . . . . . 209 N CO . 51603 1 209 . 1 . 1 45 45 ASN CA C 13 53.05799866 . . . . . . . . 209 N CA . 51603 1 210 . 1 . 1 45 45 ASN CB C 13 38.54988098 . . . . . . . . 209 N CB . 51603 1 211 . 1 . 1 45 45 ASN N N 15 119.7638931 . . . . . . . . 209 N N . 51603 1 212 . 1 . 1 46 46 TYR H H 1 8.010629654 . . . . . . . . 210 Y H . 51603 1 213 . 1 . 1 46 46 TYR C C 13 175.0762024 . . . . . . . . 210 Y CO . 51603 1 214 . 1 . 1 46 46 TYR CA C 13 57.72293091 . . . . . . . . 210 Y CA . 51603 1 215 . 1 . 1 46 46 TYR CB C 13 38.74979019 . . . . . . . . 210 Y CB . 51603 1 216 . 1 . 1 46 46 TYR N N 15 120.6974716 . . . . . . . . 210 Y N . 51603 1 217 . 1 . 1 47 47 THR H H 1 7.917737484 . . . . . . . . 211 T H . 51603 1 218 . 1 . 1 47 47 THR CA C 13 58.9903183 . . . . . . . . 211 T CA . 51603 1 219 . 1 . 1 47 47 THR CB C 13 69.7689209 . . . . . . . . 211 T CB . 51603 1 220 . 1 . 1 47 47 THR N N 15 120.2190018 . . . . . . . . 211 T N . 51603 1 221 . 1 . 1 48 48 PRO C C 13 176.6495056 . . . . . . . . 212 P CO . 51603 1 222 . 1 . 1 48 48 PRO CA C 13 62.7638092 . . . . . . . . 212 P CA . 51603 1 223 . 1 . 1 48 48 PRO CB C 13 31.83986092 . . . . . . . . 212 P CB . 51603 1 224 . 1 . 1 49 49 ARG H H 1 8.370079994 . . . . . . . . 213 R H . 51603 1 225 . 1 . 1 49 49 ARG C C 13 176.3697357 . . . . . . . . 213 R CO . 51603 1 226 . 1 . 1 49 49 ARG CA C 13 55.78099823 . . . . . . . . 213 R CA . 51603 1 227 . 1 . 1 49 49 ARG CB C 13 30.6691494 . . . . . . . . 213 R CB . 51603 1 228 . 1 . 1 49 49 ARG N N 15 121.1627884 . . . . . . . . 213 R N . 51603 1 229 . 1 . 1 50 50 SER H H 1 8.353739738 . . . . . . . . 214 S H . 51603 1 230 . 1 . 1 50 50 SER C C 13 174.3865051 . . . . . . . . 214 S CO . 51603 1 231 . 1 . 1 50 50 SER CA C 13 57.90832138 . . . . . . . . 214 S CA . 51603 1 232 . 1 . 1 50 50 SER CB C 13 63.62284851 . . . . . . . . 214 S CB . 51603 1 233 . 1 . 1 50 50 SER N N 15 116.8800583 . . . . . . . . 214 S N . 51603 1 234 . 1 . 1 51 51 ASN H H 1 8.540040016 . . . . . . . . 215 N H . 51603 1 235 . 1 . 1 51 51 ASN C C 13 175.6512451 . . . . . . . . 215 N CO . 51603 1 236 . 1 . 1 51 51 ASN CA C 13 53.05360031 . . . . . . . . 215 N CA . 51603 1 237 . 1 . 1 51 51 ASN CB C 13 38.5605011 . . . . . . . . 215 N CB . 51603 1 238 . 1 . 1 51 51 ASN N N 15 120.9744263 . . . . . . . . 215 N N . 51603 1 239 . 1 . 1 52 52 GLY H H 1 8.389109612 . . . . . . . . 216 G H . 51603 1 240 . 1 . 1 52 52 GLY C C 13 174.2002258 . . . . . . . . 216 G CO . 51603 1 241 . 1 . 1 52 52 GLY CA C 13 45.17646027 . . . . . . . . 216 G CA . 51603 1 242 . 1 . 1 52 52 GLY N N 15 109.2506027 . . . . . . . . 216 G N . 51603 1 243 . 1 . 1 53 53 SER H H 1 8.210870743 . . . . . . . . 217 S H . 51603 1 244 . 1 . 1 53 53 SER C C 13 174.9981842 . . . . . . . . 217 S CO . 51603 1 245 . 1 . 1 53 53 SER CA C 13 58.18400955 . . . . . . . . 217 S CA . 51603 1 246 . 1 . 1 53 53 SER CB C 13 63.65412903 . . . . . . . . 217 S CB . 51603 1 247 . 1 . 1 53 53 SER N N 15 115.6144638 . . . . . . . . 217 S N . 51603 1 248 . 1 . 1 54 54 THR H H 1 8.244729996 . . . . . . . . 218 T H . 51603 1 249 . 1 . 1 54 54 THR C C 13 174.2635498 . . . . . . . . 218 T CO . 51603 1 250 . 1 . 1 54 54 THR CA C 13 61.71324921 . . . . . . . . 218 T CA . 51603 1 251 . 1 . 1 54 54 THR CB C 13 69.36569214 . . . . . . . . 218 T CB . 51603 1 252 . 1 . 1 54 54 THR N N 15 115.4320984 . . . . . . . . 218 T N . 51603 1 253 . 1 . 1 55 55 ASP H H 1 8.294449806 . . . . . . . . 219 D H . 51603 1 254 . 1 . 1 55 55 ASP C C 13 176.0493164 . . . . . . . . 219 D CO . 51603 1 255 . 1 . 1 55 55 ASP CA C 13 54.24200058 . . . . . . . . 219 D CA . 51603 1 256 . 1 . 1 55 55 ASP CB C 13 40.85667038 . . . . . . . . 219 D CB . 51603 1 257 . 1 . 1 55 55 ASP N N 15 122.6709824 . . . . . . . . 219 D N . 51603 1 258 . 1 . 1 56 56 LEU H H 1 8.138311386 . . . . . . . . 220 L H . 51603 1 259 . 1 . 1 56 56 LEU C C 13 177.3972931 . . . . . . . . 220 L CO . 51603 1 260 . 1 . 1 56 56 LEU CA C 13 55.16400146 . . . . . . . . 220 L CA . 51603 1 261 . 1 . 1 56 56 LEU CB C 13 42.09729004 . . . . . . . . 220 L CB . 51603 1 262 . 1 . 1 56 56 LEU N N 15 122.2936478 . . . . . . . . 220 L N . 51603 1 263 . 1 . 1 57 57 GLN H H 1 8.369389534 . . . . . . . . 221 Q H . 51603 1 264 . 1 . 1 57 57 GLN C C 13 176.1896057 . . . . . . . . 221 Q CO . 51603 1 265 . 1 . 1 57 57 GLN CA C 13 55.74386978 . . . . . . . . 221 Q CA . 51603 1 266 . 1 . 1 57 57 GLN CB C 13 29.03457069 . . . . . . . . 221 Q CB . 51603 1 267 . 1 . 1 57 57 GLN N N 15 120.7693481 . . . . . . . . 221 Q N . 51603 1 268 . 1 . 1 58 58 THR H H 1 8.129039764 . . . . . . . . 222 T H . 51603 1 269 . 1 . 1 58 58 THR C C 13 174.3083038 . . . . . . . . 222 T CO . 51603 1 270 . 1 . 1 58 58 THR CA C 13 61.65261078 . . . . . . . . 222 T CA . 51603 1 271 . 1 . 1 58 58 THR CB C 13 69.5005722 . . . . . . . . 222 T CB . 51603 1 272 . 1 . 1 58 58 THR N N 15 114.6643829 . . . . . . . . 222 T N . 51603 1 273 . 1 . 1 59 59 ASN H H 1 8.435020447 . . . . . . . . 223 N H . 51603 1 274 . 1 . 1 59 59 ASN C C 13 175.0629425 . . . . . . . . 223 N CO . 51603 1 275 . 1 . 1 59 59 ASN CA C 13 53.19807053 . . . . . . . . 223 N CA . 51603 1 276 . 1 . 1 59 59 ASN CB C 13 38.58269119 . . . . . . . . 223 N CB . 51603 1 277 . 1 . 1 59 59 ASN N N 15 120.7921906 . . . . . . . . 223 N N . 51603 1 278 . 1 . 1 60 60 GLN H H 1 8.353172302 . . . . . . . . 224 Q H . 51603 1 279 . 1 . 1 60 60 GLN C C 13 175.668869 . . . . . . . . 224 Q CO . 51603 1 280 . 1 . 1 60 60 GLN CA C 13 55.5478096 . . . . . . . . 224 Q CA . 51603 1 281 . 1 . 1 60 60 GLN CB C 13 29.24821091 . . . . . . . . 224 Q CB . 51603 1 282 . 1 . 1 60 60 GLN N N 15 120.6311111 . . . . . . . . 224 Q N . 51603 1 283 . 1 . 1 61 61 ASP H H 1 8.321290016 . . . . . . . . 225 D H . 51603 1 284 . 1 . 1 61 61 ASP C C 13 176.3343964 . . . . . . . . 225 D CO . 51603 1 285 . 1 . 1 61 61 ASP CA C 13 54.11186981 . . . . . . . . 225 D CA . 51603 1 286 . 1 . 1 61 61 ASP CB C 13 41.03461838 . . . . . . . . 225 D CB . 51603 1 287 . 1 . 1 61 61 ASP N N 15 121.3779297 . . . . . . . . 225 D N . 51603 1 288 . 1 . 1 62 62 VAL H H 1 8.068829536 . . . . . . . . 226 V H . 51603 1 289 . 1 . 1 62 62 VAL C C 13 176.7651062 . . . . . . . . 226 V CO . 51603 1 290 . 1 . 1 62 62 VAL CA C 13 62.22214127 . . . . . . . . 226 V CA . 51603 1 291 . 1 . 1 62 62 VAL CB C 13 32.27254868 . . . . . . . . 226 V CB . 51603 1 292 . 1 . 1 62 62 VAL N N 15 119.8019104 . . . . . . . . 226 V N . 51603 1 293 . 1 . 1 63 63 GLY H H 1 8.45510006 . . . . . . . . 227 G H . 51603 1 294 . 1 . 1 63 63 GLY C C 13 174.2686462 . . . . . . . . 227 G CO . 51603 1 295 . 1 . 1 63 63 GLY CA C 13 45.13399887 . . . . . . . . 227 G CA . 51603 1 296 . 1 . 1 63 63 GLY N N 15 111.7147369 . . . . . . . . 227 G N . 51603 1 297 . 1 . 1 64 64 THR H H 1 7.963940144 . . . . . . . . 228 T H . 51603 1 298 . 1 . 1 64 64 THR C C 13 174.119278 . . . . . . . . 228 T CO . 51603 1 299 . 1 . 1 64 64 THR CA C 13 61.51892853 . . . . . . . . 228 T CA . 51603 1 300 . 1 . 1 64 64 THR CB C 13 69.52599335 . . . . . . . . 228 T CB . 51603 1 301 . 1 . 1 64 64 THR N N 15 113.8402634 . . . . . . . . 228 T N . 51603 1 302 . 1 . 1 65 65 ALA H H 1 8.254070282 . . . . . . . . 229 A H . 51603 1 303 . 1 . 1 65 65 ALA C C 13 177.2630615 . . . . . . . . 229 A CO . 51603 1 304 . 1 . 1 65 65 ALA CA C 13 52.19800186 . . . . . . . . 229 A CA . 51603 1 305 . 1 . 1 65 65 ALA CB C 13 19.04529953 . . . . . . . . 229 A CB . 51603 1 306 . 1 . 1 65 65 ALA N N 15 126.8803787 . . . . . . . . 229 A N . 51603 1 307 . 1 . 1 66 66 ILE H H 1 8.147270203 . . . . . . . . 230 I H . 51603 1 308 . 1 . 1 66 66 ILE C C 13 176.209137 . . . . . . . . 230 I CO . 51603 1 309 . 1 . 1 66 66 ILE CA C 13 60.71313858 . . . . . . . . 230 I CA . 51603 1 310 . 1 . 1 66 66 ILE CB C 13 38.3551712 . . . . . . . . 230 I CB . 51603 1 311 . 1 . 1 66 66 ILE N N 15 121.0782166 . . . . . . . . 230 I N . 51603 1 312 . 1 . 1 67 67 VAL H H 1 8.263910294 . . . . . . . . 231 V H . 51603 1 313 . 1 . 1 67 67 VAL C C 13 175.8354187 . . . . . . . . 231 V CO . 51603 1 314 . 1 . 1 67 67 VAL CA C 13 61.78474045 . . . . . . . . 231 V CA . 51603 1 315 . 1 . 1 67 67 VAL CB C 13 32.63711929 . . . . . . . . 231 V CB . 51603 1 316 . 1 . 1 67 67 VAL N N 15 125.3578568 . . . . . . . . 231 V N . 51603 1 317 . 1 . 1 68 68 SER H H 1 8.395874023 . . . . . . . . 232 S H . 51603 1 318 . 1 . 1 68 68 SER C C 13 173.9746399 . . . . . . . . 232 S CO . 51603 1 319 . 1 . 1 68 68 SER CA C 13 57.74271011 . . . . . . . . 232 S CA . 51603 1 320 . 1 . 1 68 68 SER CB C 13 63.75220871 . . . . . . . . 232 S CB . 51603 1 321 . 1 . 1 68 68 SER N N 15 120.1424637 . . . . . . . . 232 S N . 51603 1 322 . 1 . 1 69 69 ASP H H 1 8.411939621 . . . . . . . . 233 D H . 51603 1 323 . 1 . 1 69 69 ASP C C 13 176.3486023 . . . . . . . . 233 D CO . 51603 1 324 . 1 . 1 69 69 ASP CA C 13 54.12958145 . . . . . . . . 233 D CA . 51603 1 325 . 1 . 1 69 69 ASP CB C 13 41.03815079 . . . . . . . . 233 D CB . 51603 1 326 . 1 . 1 69 69 ASP N N 15 122.9471664 . . . . . . . . 233 D N . 51603 1 327 . 1 . 1 70 70 THR H H 1 8.169839859 . . . . . . . . 234 T H . 51603 1 328 . 1 . 1 70 70 THR C C 13 174.752533 . . . . . . . . 234 T CO . 51603 1 329 . 1 . 1 70 70 THR CA C 13 61.34091187 . . . . . . . . 234 T CA . 51603 1 330 . 1 . 1 70 70 THR CB C 13 69.48761749 . . . . . . . . 234 T CB . 51603 1 331 . 1 . 1 70 70 THR N N 15 114.053627 . . . . . . . . 234 T N . 51603 1 332 . 1 . 1 71 71 THR H H 1 8.193530083 . . . . . . . . 235 T H . 51603 1 333 . 1 . 1 71 71 THR C C 13 174.364151 . . . . . . . . 235 T CO . 51603 1 334 . 1 . 1 71 71 THR CA C 13 61.80905151 . . . . . . . . 235 T CA . 51603 1 335 . 1 . 1 71 71 THR CB C 13 69.46235657 . . . . . . . . 235 T CB . 51603 1 336 . 1 . 1 71 71 THR N N 15 115.9419708 . . . . . . . . 235 T N . 51603 1 337 . 1 . 1 72 72 ASP H H 1 8.258359909 . . . . . . . . 236 D H . 51603 1 338 . 1 . 1 72 72 ASP C C 13 175.9708862 . . . . . . . . 236 D CO . 51603 1 339 . 1 . 1 72 72 ASP CA C 13 54.3367691 . . . . . . . . 236 D CA . 51603 1 340 . 1 . 1 72 72 ASP CB C 13 41.09700012 . . . . . . . . 236 D CB . 51603 1 341 . 1 . 1 72 72 ASP N N 15 122.6661377 . . . . . . . . 236 D N . 51603 1 342 . 1 . 1 73 73 ASP H H 1 8.274689674 . . . . . . . . 237 D H . 51603 1 343 . 1 . 1 73 73 ASP C C 13 176.4775238 . . . . . . . . 237 D CO . 51603 1 344 . 1 . 1 73 73 ASP CA C 13 54.43497086 . . . . . . . . 237 D CA . 51603 1 345 . 1 . 1 73 73 ASP CB C 13 41.01869965 . . . . . . . . 237 D CB . 51603 1 346 . 1 . 1 73 73 ASP N N 15 120.6592407 . . . . . . . . 237 D N . 51603 1 347 . 1 . 1 74 74 LEU H H 1 8.059260368 . . . . . . . . 238 L H . 51603 1 348 . 1 . 1 74 74 LEU C C 13 177.5635986 . . . . . . . . 238 L CO . 51603 1 349 . 1 . 1 74 74 LEU CA C 13 55.17679977 . . . . . . . . 238 L CA . 51603 1 350 . 1 . 1 74 74 LEU CB C 13 41.33399963 . . . . . . . . 238 L CB . 51603 1 351 . 1 . 1 74 74 LEU N N 15 121.4034348 . . . . . . . . 238 L N . 51603 1 352 . 1 . 1 75 75 TRP H H 1 7.872119904 . . . . . . . . 239 W H . 51603 1 353 . 1 . 1 75 75 TRP C C 13 176.2024994 . . . . . . . . 239 W CO . 51603 1 354 . 1 . 1 75 75 TRP CA C 13 57.7335701 . . . . . . . . 239 W CA . 51603 1 355 . 1 . 1 75 75 TRP CB C 13 28.97537994 . . . . . . . . 239 W CB . 51603 1 356 . 1 . 1 75 75 TRP N N 15 120.6690826 . . . . . . . . 239 W N . 51603 1 357 . 1 . 1 76 76 PHE H H 1 7.378769875 . . . . . . . . 240 F H . 51603 1 358 . 1 . 1 76 76 PHE C C 13 175.447464 . . . . . . . . 240 F CO . 51603 1 359 . 1 . 1 76 76 PHE CA C 13 57.56100082 . . . . . . . . 240 F CA . 51603 1 360 . 1 . 1 76 76 PHE CB C 13 38.77019119 . . . . . . . . 240 F CB . 51603 1 361 . 1 . 1 76 76 PHE N N 15 119.3869934 . . . . . . . . 240 F N . 51603 1 362 . 1 . 1 77 77 LEU H H 1 7.71683979 . . . . . . . . 241 L H . 51603 1 363 . 1 . 1 77 77 LEU C C 13 176.8892975 . . . . . . . . 241 L CO . 51603 1 364 . 1 . 1 77 77 LEU CA C 13 55.13745117 . . . . . . . . 241 L CA . 51603 1 365 . 1 . 1 77 77 LEU CB C 13 41.95278931 . . . . . . . . 241 L CB . 51603 1 366 . 1 . 1 77 77 LEU N N 15 122.455452 . . . . . . . . 241 L N . 51603 1 367 . 1 . 1 78 78 ASN H H 1 8.107789993 . . . . . . . . 242 N H . 51603 1 368 . 1 . 1 78 78 ASN C C 13 175.2534943 . . . . . . . . 242 N CO . 51603 1 369 . 1 . 1 78 78 ASN CA C 13 53.22032166 . . . . . . . . 242 N CA . 51603 1 370 . 1 . 1 78 78 ASN CB C 13 38.78697968 . . . . . . . . 242 N CB . 51603 1 371 . 1 . 1 78 78 ASN N N 15 119.1751633 . . . . . . . . 242 N N . 51603 1 372 . 1 . 1 79 79 GLU H H 1 8.308022499 . . . . . . . . 243 E H . 51603 1 373 . 1 . 1 79 79 GLU C C 13 176.5370026 . . . . . . . . 243 E CO . 51603 1 374 . 1 . 1 79 79 GLU CA C 13 56.74081039 . . . . . . . . 243 E CA . 51603 1 375 . 1 . 1 79 79 GLU CB C 13 30.06893921 . . . . . . . . 243 E CB . 51603 1 376 . 1 . 1 79 79 GLU N N 15 121.2870789 . . . . . . . . 243 E N . 51603 1 377 . 1 . 1 80 80 SER H H 1 8.282819748 . . . . . . . . 244 S H . 51603 1 378 . 1 . 1 80 80 SER C C 13 174.7189484 . . . . . . . . 244 S CO . 51603 1 379 . 1 . 1 80 80 SER CA C 13 58.39888 . . . . . . . . 244 S CA . 51603 1 380 . 1 . 1 80 80 SER CB C 13 63.4004097 . . . . . . . . 244 S CB . 51603 1 381 . 1 . 1 80 80 SER N N 15 116.513237 . . . . . . . . 244 S N . 51603 1 382 . 1 . 1 81 81 VAL H H 1 8.06155014 . . . . . . . . 245 V H . 51603 1 383 . 1 . 1 81 81 VAL C C 13 176.3787842 . . . . . . . . 245 V CO . 51603 1 384 . 1 . 1 81 81 VAL CA C 13 62.33945084 . . . . . . . . 245 V CA . 51603 1 385 . 1 . 1 81 81 VAL CB C 13 32.4260788 . . . . . . . . 245 V CB . 51603 1 386 . 1 . 1 81 81 VAL N N 15 121.4137268 . . . . . . . . 245 V N . 51603 1 387 . 1 . 1 82 82 SER H H 1 8.274040222 . . . . . . . . 246 S H . 51603 1 388 . 1 . 1 82 82 SER C C 13 174.845871 . . . . . . . . 246 S CO . 51603 1 389 . 1 . 1 82 82 SER CA C 13 58.53033829 . . . . . . . . 246 S CA . 51603 1 390 . 1 . 1 82 82 SER CB C 13 63.4500885 . . . . . . . . 246 S CB . 51603 1 391 . 1 . 1 82 82 SER N N 15 118.6925278 . . . . . . . . 246 S N . 51603 1 392 . 1 . 1 83 83 GLU H H 1 8.387760162 . . . . . . . . 247 E H . 51603 1 393 . 1 . 1 83 83 GLU C C 13 176.5574036 . . . . . . . . 247 E CO . 51603 1 394 . 1 . 1 83 83 GLU CA C 13 56.76535034 . . . . . . . . 247 E CA . 51603 1 395 . 1 . 1 83 83 GLU CB C 13 29.96223068 . . . . . . . . 247 E CB . 51603 1 396 . 1 . 1 83 83 GLU N N 15 122.9289093 . . . . . . . . 247 E N . 51603 1 397 . 1 . 1 84 84 GLN H H 1 8.299090385 . . . . . . . . 248 Q H . 51603 1 398 . 1 . 1 84 84 GLN C C 13 176.0170746 . . . . . . . . 248 Q CO . 51603 1 399 . 1 . 1 84 84 GLN CA C 13 55.73106003 . . . . . . . . 248 Q CA . 51603 1 400 . 1 . 1 84 84 GLN CB C 13 29.02633095 . . . . . . . . 248 Q CB . 51603 1 401 . 1 . 1 84 84 GLN N N 15 120.7554321 . . . . . . . . 248 Q N . 51603 1 402 . 1 . 1 85 85 LEU H H 1 8.210320473 . . . . . . . . 249 L H . 51603 1 403 . 1 . 1 85 85 LEU C C 13 177.9136963 . . . . . . . . 249 L CO . 51603 1 404 . 1 . 1 85 85 LEU CA C 13 55.23624039 . . . . . . . . 249 L CA . 51603 1 405 . 1 . 1 85 85 LEU CB C 13 42.16638947 . . . . . . . . 249 L CB . 51603 1 406 . 1 . 1 85 85 LEU N N 15 122.8928833 . . . . . . . . 249 L N . 51603 1 407 . 1 . 1 86 86 GLY H H 1 8.353699684 . . . . . . . . 250 G H . 51603 1 408 . 1 . 1 86 86 GLY C C 13 174.1130219 . . . . . . . . 250 G CO . 51603 1 409 . 1 . 1 86 86 GLY CA C 13 45.13294983 . . . . . . . . 250 G CA . 51603 1 410 . 1 . 1 86 86 GLY N N 15 109.4180298 . . . . . . . . 250 G N . 51603 1 411 . 1 . 1 87 87 VAL H H 1 7.908860207 . . . . . . . . 251 V H . 51603 1 412 . 1 . 1 87 87 VAL C C 13 176.6523285 . . . . . . . . 251 V CO . 51603 1 413 . 1 . 1 87 87 VAL CA C 13 62.10649872 . . . . . . . . 251 V CA . 51603 1 414 . 1 . 1 87 87 VAL CB C 13 32.3861084 . . . . . . . . 251 V CB . 51603 1 415 . 1 . 1 87 87 VAL N N 15 118.7393188 . . . . . . . . 251 V N . 51603 1 416 . 1 . 1 88 88 GLY H H 1 8.461560249 . . . . . . . . 252 G H . 51603 1 417 . 1 . 1 88 88 GLY C C 13 173.7438049 . . . . . . . . 252 G CO . 51603 1 418 . 1 . 1 88 88 GLY CA C 13 44.9799614 . . . . . . . . 252 G CA . 51603 1 419 . 1 . 1 88 88 GLY N N 15 112.307373 . . . . . . . . 252 G N . 51603 1 420 . 1 . 1 89 89 ILE H H 1 7.8917799 . . . . . . . . 253 I H . 51603 1 421 . 1 . 1 89 89 ILE C C 13 175.9204865 . . . . . . . . 253 I CO . 51603 1 422 . 1 . 1 89 89 ILE CA C 13 60.65248108 . . . . . . . . 253 I CA . 51603 1 423 . 1 . 1 89 89 ILE CB C 13 38.58786011 . . . . . . . . 253 I CB . 51603 1 424 . 1 . 1 89 89 ILE N N 15 120.2461624 . . . . . . . . 253 I N . 51603 1 425 . 1 . 1 90 90 LYS H H 1 8.395620346 . . . . . . . . 254 K H . 51603 1 426 . 1 . 1 90 90 LYS C C 13 176.0246429 . . . . . . . . 254 K CO . 51603 1 427 . 1 . 1 90 90 LYS CA C 13 55.74990845 . . . . . . . . 254 K CA . 51603 1 428 . 1 . 1 90 90 LYS CB C 13 32.89076996 . . . . . . . . 254 K CB . 51603 1 429 . 1 . 1 90 90 LYS N N 15 126.4834976 . . . . . . . . 254 K N . 51603 1 430 . 1 . 1 91 91 VAL H H 1 8.280119896 . . . . . . . . 255 V H . 51603 1 431 . 1 . 1 91 91 VAL C C 13 175.9742889 . . . . . . . . 255 V CO . 51603 1 432 . 1 . 1 91 91 VAL CA C 13 61.89611053 . . . . . . . . 255 V CA . 51603 1 433 . 1 . 1 91 91 VAL CB C 13 32.62005997 . . . . . . . . 255 V CB . 51603 1 434 . 1 . 1 91 91 VAL N N 15 123.5140762 . . . . . . . . 255 V N . 51603 1 435 . 1 . 1 92 92 GLU H H 1 8.529959679 . . . . . . . . 256 E H . 51603 1 436 . 1 . 1 92 92 GLU C C 13 175.8613586 . . . . . . . . 256 E CO . 51603 1 437 . 1 . 1 92 92 GLU CA C 13 55.98548126 . . . . . . . . 256 E CA . 51603 1 438 . 1 . 1 92 92 GLU CB C 13 30.16983986 . . . . . . . . 256 E CB . 51603 1 439 . 1 . 1 92 92 GLU N N 15 125.5662384 . . . . . . . . 256 E N . 51603 1 440 . 1 . 1 93 93 ALA H H 1 8.367910385 . . . . . . . . 257 A H . 51603 1 441 . 1 . 1 93 93 ALA C C 13 177.1111908 . . . . . . . . 257 A CO . 51603 1 442 . 1 . 1 93 93 ALA CA C 13 52.05337906 . . . . . . . . 257 A CA . 51603 1 443 . 1 . 1 93 93 ALA CB C 13 19.1998806 . . . . . . . . 257 A CB . 51603 1 444 . 1 . 1 93 93 ALA N N 15 125.8206482 . . . . . . . . 257 A N . 51603 1 445 . 1 . 1 94 94 ALA H H 1 8.304900169 . . . . . . . . 258 A H . 51603 1 446 . 1 . 1 94 94 ALA C C 13 177.2875519 . . . . . . . . 258 A CO . 51603 1 447 . 1 . 1 94 94 ALA CA C 13 52.04299927 . . . . . . . . 258 A CA . 51603 1 448 . 1 . 1 94 94 ALA CB C 13 19.31299973 . . . . . . . . 258 A CB . 51603 1 449 . 1 . 1 94 94 ALA N N 15 123.7470093 . . . . . . . . 258 A N . 51603 1 450 . 1 . 1 95 95 ASP H H 1 8.348119736 . . . . . . . . 259 D H . 51603 1 451 . 1 . 1 95 95 ASP C C 13 175.5235138 . . . . . . . . 259 D CO . 51603 1 452 . 1 . 1 95 95 ASP CA C 13 54.17567825 . . . . . . . . 259 D CA . 51603 1 453 . 1 . 1 95 95 ASP CB C 13 40.81156921 . . . . . . . . 259 D CB . 51603 1 454 . 1 . 1 95 95 ASP N N 15 119.9957428 . . . . . . . . 259 D N . 51603 1 455 . 1 . 1 96 96 THR H H 1 7.663680077 . . . . . . . . 260 T H . 51603 1 456 . 1 . 1 96 96 THR CA C 13 62.86254883 . . . . . . . . 260 T CA . 51603 1 457 . 1 . 1 96 96 THR CB C 13 70.58052063 . . . . . . . . 260 T CB . 51603 1 458 . 1 . 1 96 96 THR N N 15 118.6941528 . . . . . . . . 260 T N . 51603 1 stop_ save_