data_7254 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7254 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Investigation of p53 tetramerization domain' 'Mutant comparison' ; The data from the entries that make up this study were used to compare the structure of p53 tetramerization domain mutants. ; 7254 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 7254 1 . p53TD 7254 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7254 _Entry.Title ; 1H chemical shift assignments for p53 tetramerization domain mutant Y327S T329G Q331G ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-08 _Entry.Accession_date 2006-08-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rodrigo Carbajo . J. . 7254 2 Puig Mora . . . 7254 3 Manuel 'Sanchez del Pino' . M. . 7254 4 Enrique 'Perez Paya' . . . 7254 5 Antonio Pineda-Lucena . . . 7254 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CIPF . 7254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 216 7254 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 . . 2008-07-17 2006-08-08 update BMRB 'complete entry citation' 7254 1 . . 2008-02-05 2006-08-08 original author 'original release' 7254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 7251 'wild type p53 tetramerization domain' 7254 . 7252 'p53 tetramerization domain (mutant T329F Q331K)' 7254 . 7253 'p53 tetramerization domain (mutant T329V Q331K)' 7254 . 7255 'p53 tetramerization domain (mutant Y327S T329E Q331G)' 7254 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7254 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18076077 _Citation.Full_citation . _Citation.Title 'Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53-A structural and combinatorial approach' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 71 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1670 _Citation.Page_last 1685 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 Puig Mora . . . 7254 1 2 Rodrigo Carbajo . J. . 7254 1 3 Antonio Pineda-Lucena . . . 7254 1 4 Manuel 'Sanchez del Pino' . M. . 7254 1 5 Enrique 'Perez Paya' . . . 7254 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 7254 1 p53TD 7254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7254 _Assembly.ID 1 _Assembly.Name 'p53 tetramerization domain' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'p53 tetramerization domain (residues 326-356) mutant Y327S T329G Q331G' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7254 1 stop_ 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 'subunit 1' 1 $p53TD_Y327S_T329G_Q331G . . yes native no no 1 . . 7254 1 2 'subunit 2' 1 $p53TD_Y327S_T329G_Q331G . . yes native no no 1 . . 7254 1 3 'subunit 3' 1 $p53TD_Y327S_T329G_Q331G . . yes native no no 1 . . 7254 1 4 'subunit 4' 1 $p53TD_Y327S_T329G_Q331G . . yes native no no 1 . . 7254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53TD_Y327S_T329G_Q331G _Entity.Sf_category entity _Entity.Sf_framecode p53TD_Y327S_T329G_Q331G _Entity.Entry_ID 7254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53TD _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 ; ESFGLGIRGRERFEMFRELN EALELKDAQAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 326-356 p53 tetramerization domain mutant Y327S T329G Q331G' _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2J11 . "P53 Tetramerization Domain Mutant Y327s T329g Q331g" . . . . . 100.00 31 100.00 100.00 4.95e-11 . . . . 7254 1 2 no GB AAP30003 . "tumor suppressor tp53 [Homo sapiens]" . . . . . 80.65 35 100.00 100.00 4.67e-07 . . . . 7254 1 3 no GB EAW90141 . "tumor protein p53 (Li-Fraumeni syndrome), isoform CRA_b [Homo sapiens]" . . . . . 54.84 54 100.00 100.00 7.99e-02 . . . . 7254 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p53TD . 7254 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID p53TD 7254 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 1 326 GLU . 7254 1 2 327 SER . 7254 1 3 328 PHE . 7254 1 4 329 GLY . 7254 1 5 330 LEU . 7254 1 6 331 GLY . 7254 1 7 332 ILE . 7254 1 8 333 ARG . 7254 1 9 334 GLY . 7254 1 10 335 ARG . 7254 1 11 336 GLU . 7254 1 12 337 ARG . 7254 1 13 338 PHE . 7254 1 14 339 GLU . 7254 1 15 340 MET . 7254 1 16 341 PHE . 7254 1 17 342 ARG . 7254 1 18 343 GLU . 7254 1 19 344 LEU . 7254 1 20 345 ASN . 7254 1 21 346 GLU . 7254 1 22 347 ALA . 7254 1 23 348 LEU . 7254 1 24 349 GLU . 7254 1 25 350 LEU . 7254 1 26 351 LYS . 7254 1 27 352 ASP . 7254 1 28 353 ALA . 7254 1 29 354 GLN . 7254 1 30 355 ALA . 7254 1 31 356 GLY . 7254 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 . GLU 1 1 7254 1 . SER 2 2 7254 1 . PHE 3 3 7254 1 . GLY 4 4 7254 1 . LEU 5 5 7254 1 . GLY 6 6 7254 1 . ILE 7 7 7254 1 . ARG 8 8 7254 1 . GLY 9 9 7254 1 . ARG 10 10 7254 1 . GLU 11 11 7254 1 . ARG 12 12 7254 1 . PHE 13 13 7254 1 . GLU 14 14 7254 1 . MET 15 15 7254 1 . PHE 16 16 7254 1 . ARG 17 17 7254 1 . GLU 18 18 7254 1 . LEU 19 19 7254 1 . ASN 20 20 7254 1 . GLU 21 21 7254 1 . ALA 22 22 7254 1 . LEU 23 23 7254 1 . GLU 24 24 7254 1 . LEU 25 25 7254 1 . LYS 26 26 7254 1 . ASP 27 27 7254 1 . ALA 28 28 7254 1 . GLN 29 29 7254 1 . ALA 30 30 7254 1 . GLY 31 31 7254 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7254 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p53TD_Y327S_T329G_Q331G . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7254 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7254 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p53TD_Y327S_T329G_Q331G . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7254 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 p53TD . . . 1 $p53TD_Y327S_T329G_Q331G . protein 0.5 . . mM . . . . 7254 1 2 'phosphate buffer' . . . . . . buffer 40 . . mM . . . . 7254 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7254 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 pH 7254 1 temperature 300 0.1 K 7254 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7254 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7254 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 7254 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7254 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 7254 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7254 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7254 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculations' 7254 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 7254 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '1H,1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 7254 1 2 '1H,1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 7254 1 stop_ save_ save_1H-1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-1H_NOESY _NMR_spec_expt.Entry_ID 7254 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H,1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-1H_TOCSY _NMR_spec_expt.Entry_ID 7254 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H,1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7254 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 7254 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7254 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7254 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.31 0.01 . 1 . . . . 1 GLU H . 7254 1 2 . 1 1 1 1 GLU HA H 1 4.15 0.01 . 1 . . . . 1 GLU HA . 7254 1 3 . 1 1 1 1 GLU HB2 H 1 1.85 0.01 . 1 . . . . 1 GLU HB2 . 7254 1 4 . 1 1 1 1 GLU HB3 H 1 1.85 0.01 . 1 . . . . 1 GLU HB3 . 7254 1 5 . 1 1 1 1 GLU HG2 H 1 2.03 0.01 . 2 . . . . 1 GLU HG2 . 7254 1 6 . 1 1 1 1 GLU HG3 H 1 2.18 0.01 . 2 . . . . 1 GLU HG3 . 7254 1 7 . 1 1 2 2 SER H H 1 7.90 0.01 . 1 . . . . 2 SER H . 7254 1 8 . 1 1 2 2 SER HA H 1 4.87 0.01 . 1 . . . . 2 SER HA . 7254 1 9 . 1 1 2 2 SER HB2 H 1 3.50 0.01 . 2 . . . . 2 SER HB2 . 7254 1 10 . 1 1 2 2 SER HB3 H 1 3.53 0.01 . 2 . . . . 2 SER HB3 . 7254 1 11 . 1 1 3 3 PHE H H 1 9.12 0.01 . 1 . . . . 3 PHE H . 7254 1 12 . 1 1 3 3 PHE HA H 1 4.32 0.01 . 1 . . . . 3 PHE HA . 7254 1 13 . 1 1 3 3 PHE HB2 H 1 1.95 0.01 . 2 . . . . 3 PHE HB2 . 7254 1 14 . 1 1 3 3 PHE HB3 H 1 2.24 0.01 . 2 . . . . 3 PHE HB3 . 7254 1 15 . 1 1 3 3 PHE HD1 H 1 6.79 0.01 . 1 . . . . 3 PHE HD1 . 7254 1 16 . 1 1 3 3 PHE HD2 H 1 6.79 0.01 . 1 . . . . 3 PHE HD2 . 7254 1 17 . 1 1 3 3 PHE HE1 H 1 7.04 0.01 . 1 . . . . 3 PHE HE1 . 7254 1 18 . 1 1 3 3 PHE HE2 H 1 7.04 0.01 . 1 . . . . 3 PHE HE2 . 7254 1 19 . 1 1 3 3 PHE HZ H 1 7.14 0.01 . 1 . . . . 3 PHE HZ . 7254 1 20 . 1 1 4 4 GLY H H 1 8.37 0.01 . 1 . . . . 4 GLY H . 7254 1 21 . 1 1 4 4 GLY HA2 H 1 3.44 0.01 . 2 . . . . 4 GLY HA2 . 7254 1 22 . 1 1 4 4 GLY HA3 H 1 4.81 0.01 . 2 . . . . 4 GLY HA3 . 7254 1 23 . 1 1 5 5 LEU H H 1 8.93 0.01 . 1 . . . . 5 LEU H . 7254 1 24 . 1 1 5 5 LEU HA H 1 4.81 0.01 . 1 . . . . 5 LEU HA . 7254 1 25 . 1 1 5 5 LEU HB3 H 1 1.89 0.01 . 2 . . . . 5 LEU HB3 . 7254 1 26 . 1 1 5 5 LEU HG H 1 1.39 0.01 . 1 . . . . 5 LEU HG . 7254 1 27 . 1 1 5 5 LEU HD11 H 1 0.49 0.01 . 2 . . . . 5 LEU HD1 . 7254 1 28 . 1 1 5 5 LEU HD12 H 1 0.49 0.01 . 2 . . . . 5 LEU HD1 . 7254 1 29 . 1 1 5 5 LEU HD13 H 1 0.49 0.01 . 2 . . . . 5 LEU HD1 . 7254 1 30 . 1 1 5 5 LEU HD21 H 1 0.87 0.01 . 2 . . . . 5 LEU HD2 . 7254 1 31 . 1 1 5 5 LEU HD22 H 1 0.87 0.01 . 2 . . . . 5 LEU HD2 . 7254 1 32 . 1 1 5 5 LEU HD23 H 1 0.87 0.01 . 2 . . . . 5 LEU HD2 . 7254 1 33 . 1 1 6 6 GLY H H 1 8.66 0.01 . 1 . . . . 6 GLY H . 7254 1 34 . 1 1 6 6 GLY HA2 H 1 3.42 0.01 . 2 . . . . 6 GLY HA2 . 7254 1 35 . 1 1 6 6 GLY HA3 H 1 4.60 0.01 . 2 . . . . 6 GLY HA3 . 7254 1 36 . 1 1 7 7 ILE H H 1 8.98 0.01 . 1 . . . . 7 ILE H . 7254 1 37 . 1 1 7 7 ILE HA H 1 4.31 0.01 . 1 . . . . 7 ILE HA . 7254 1 38 . 1 1 7 7 ILE HB H 1 1.88 0.01 . 1 . . . . 7 ILE HB . 7254 1 39 . 1 1 7 7 ILE HG12 H 1 1.11 0.01 . 2 . . . . 7 ILE HG12 . 7254 1 40 . 1 1 7 7 ILE HG13 H 1 1.39 0.01 . 2 . . . . 7 ILE HG13 . 7254 1 41 . 1 1 7 7 ILE HG21 H 1 0.96 0.01 . 1 . . . . 7 ILE HG2 . 7254 1 42 . 1 1 7 7 ILE HG22 H 1 0.96 0.01 . 1 . . . . 7 ILE HG2 . 7254 1 43 . 1 1 7 7 ILE HG23 H 1 0.96 0.01 . 1 . . . . 7 ILE HG2 . 7254 1 44 . 1 1 7 7 ILE HD11 H 1 0.67 0.01 . 1 . . . . 7 ILE HD1 . 7254 1 45 . 1 1 7 7 ILE HD12 H 1 0.67 0.01 . 1 . . . . 7 ILE HD1 . 7254 1 46 . 1 1 7 7 ILE HD13 H 1 0.67 0.01 . 1 . . . . 7 ILE HD1 . 7254 1 47 . 1 1 8 8 ARG H H 1 9.66 0.01 . 1 . . . . 8 ARG H . 7254 1 48 . 1 1 8 8 ARG HA H 1 4.70 0.01 . 1 . . . . 8 ARG HA . 7254 1 49 . 1 1 8 8 ARG HB2 H 1 1.74 0.01 . 2 . . . . 8 ARG HB2 . 7254 1 50 . 1 1 8 8 ARG HB3 H 1 1.79 0.01 . 2 . . . . 8 ARG HB3 . 7254 1 51 . 1 1 8 8 ARG HG2 H 1 1.49 0.01 . 2 . . . . 8 ARG HG2 . 7254 1 52 . 1 1 8 8 ARG HG3 H 1 1.63 0.01 . 2 . . . . 8 ARG HG3 . 7254 1 53 . 1 1 8 8 ARG HD2 H 1 3.15 0.01 . 1 . . . . 8 ARG HD2 . 7254 1 54 . 1 1 8 8 ARG HD3 H 1 3.15 0.01 . 1 . . . . 8 ARG HD3 . 7254 1 55 . 1 1 9 9 GLY H H 1 8.59 0.01 . 1 . . . . 9 GLY H . 7254 1 56 . 1 1 9 9 GLY HA2 H 1 3.84 0.01 . 2 . . . . 9 GLY HA2 . 7254 1 57 . 1 1 9 9 GLY HA3 H 1 4.74 0.01 . 2 . . . . 9 GLY HA3 . 7254 1 58 . 1 1 10 10 ARG H H 1 8.92 0.01 . 1 . . . . 10 ARG H . 7254 1 59 . 1 1 10 10 ARG HA H 1 3.34 0.01 . 1 . . . . 10 ARG HA . 7254 1 60 . 1 1 10 10 ARG HB2 H 1 1.76 0.01 . 2 . . . . 10 ARG HB2 . 7254 1 61 . 1 1 10 10 ARG HB3 H 1 1.88 0.01 . 2 . . . . 10 ARG HB3 . 7254 1 62 . 1 1 10 10 ARG HG2 H 1 1.43 0.01 . 2 . . . . 10 ARG HG2 . 7254 1 63 . 1 1 10 10 ARG HG3 H 1 1.58 0.01 . 2 . . . . 10 ARG HG3 . 7254 1 64 . 1 1 10 10 ARG HD2 H 1 3.02 0.01 . 2 . . . . 10 ARG HD2 . 7254 1 65 . 1 1 10 10 ARG HD3 H 1 3.09 0.01 . 2 . . . . 10 ARG HD3 . 7254 1 66 . 1 1 11 11 GLU H H 1 8.87 0.01 . 1 . . . . 11 GLU H . 7254 1 67 . 1 1 11 11 GLU HA H 1 3.94 0.01 . 1 . . . . 11 GLU HA . 7254 1 68 . 1 1 11 11 GLU HB2 H 1 1.97 0.01 . 2 . . . . 11 GLU HB2 . 7254 1 69 . 1 1 11 11 GLU HB3 H 1 2.07 0.01 . 2 . . . . 11 GLU HB3 . 7254 1 70 . 1 1 11 11 GLU HG2 H 1 2.29 0.01 . 2 . . . . 11 GLU HG2 . 7254 1 71 . 1 1 11 11 GLU HG3 H 1 2.41 0.01 . 2 . . . . 11 GLU HG3 . 7254 1 72 . 1 1 12 12 ARG H H 1 7.98 0.01 . 1 . . . . 12 ARG H . 7254 1 73 . 1 1 12 12 ARG HA H 1 3.89 0.01 . 1 . . . . 12 ARG HA . 7254 1 74 . 1 1 12 12 ARG HB2 H 1 2.00 0.01 . 2 . . . . 12 ARG HB2 . 7254 1 75 . 1 1 12 12 ARG HB3 H 1 2.05 0.01 . 2 . . . . 12 ARG HB3 . 7254 1 76 . 1 1 12 12 ARG HG2 H 1 1.67 0.01 . 2 . . . . 12 ARG HG2 . 7254 1 77 . 1 1 12 12 ARG HD2 H 1 3.47 0.01 . 2 . . . . 12 ARG HD2 . 7254 1 78 . 1 1 12 12 ARG HD3 H 1 3.66 0.01 . 2 . . . . 12 ARG HD3 . 7254 1 79 . 1 1 12 12 ARG HE H 1 7.36 0.01 . 1 . . . . 12 ARG HE . 7254 1 80 . 1 1 13 13 PHE H H 1 8.41 0.01 . 1 . . . . 13 PHE H . 7254 1 81 . 1 1 13 13 PHE HA H 1 4.13 0.01 . 1 . . . . 13 PHE HA . 7254 1 82 . 1 1 13 13 PHE HB2 H 1 2.81 0.01 . 2 . . . . 13 PHE HB2 . 7254 1 83 . 1 1 13 13 PHE HB3 H 1 2.85 0.01 . 2 . . . . 13 PHE HB3 . 7254 1 84 . 1 1 13 13 PHE HD1 H 1 6.80 0.01 . 1 . . . . 13 PHE HD1 . 7254 1 85 . 1 1 13 13 PHE HD2 H 1 6.80 0.01 . 1 . . . . 13 PHE HD2 . 7254 1 86 . 1 1 13 13 PHE HE1 H 1 7.18 0.01 . 1 . . . . 13 PHE HE1 . 7254 1 87 . 1 1 13 13 PHE HE2 H 1 7.18 0.01 . 1 . . . . 13 PHE HE2 . 7254 1 88 . 1 1 13 13 PHE HZ H 1 7.35 0.01 . 1 . . . . 13 PHE HZ . 7254 1 89 . 1 1 14 14 GLU H H 1 8.52 0.01 . 1 . . . . 14 GLU H . 7254 1 90 . 1 1 14 14 GLU HA H 1 3.54 0.01 . 1 . . . . 14 GLU HA . 7254 1 91 . 1 1 14 14 GLU HB2 H 1 1.95 0.01 . 1 . . . . 14 GLU HB2 . 7254 1 92 . 1 1 14 14 GLU HB3 H 1 1.95 0.01 . 1 . . . . 14 GLU HB3 . 7254 1 93 . 1 1 14 14 GLU HG2 H 1 2.32 0.01 . 2 . . . . 14 GLU HG2 . 7254 1 94 . 1 1 14 14 GLU HG3 H 1 2.45 0.01 . 2 . . . . 14 GLU HG3 . 7254 1 95 . 1 1 15 15 MET H H 1 7.63 0.01 . 1 . . . . 15 MET H . 7254 1 96 . 1 1 15 15 MET HA H 1 4.06 0.01 . 1 . . . . 15 MET HA . 7254 1 97 . 1 1 15 15 MET HB2 H 1 1.93 0.01 . 2 . . . . 15 MET HB2 . 7254 1 98 . 1 1 15 15 MET HB3 H 1 2.21 0.01 . 2 . . . . 15 MET HB3 . 7254 1 99 . 1 1 15 15 MET HG2 H 1 2.00 0.01 . 2 . . . . 15 MET HG2 . 7254 1 100 . 1 1 15 15 MET HG3 H 1 2.52 0.01 . 2 . . . . 15 MET HG3 . 7254 1 101 . 1 1 15 15 MET HE1 H 1 1.48 0.01 . 1 . . . . 15 MET HE . 7254 1 102 . 1 1 15 15 MET HE2 H 1 1.48 0.01 . 1 . . . . 15 MET HE . 7254 1 103 . 1 1 15 15 MET HE3 H 1 1.48 0.01 . 1 . . . . 15 MET HE . 7254 1 104 . 1 1 16 16 PHE H H 1 8.05 0.01 . 1 . . . . 16 PHE H . 7254 1 105 . 1 1 16 16 PHE HA H 1 4.10 0.01 . 1 . . . . 16 PHE HA . 7254 1 106 . 1 1 16 16 PHE HB2 H 1 2.64 0.01 . 2 . . . . 16 PHE HB2 . 7254 1 107 . 1 1 16 16 PHE HB3 H 1 2.86 0.01 . 2 . . . . 16 PHE HB3 . 7254 1 108 . 1 1 16 16 PHE HD1 H 1 7.12 0.01 . 1 . . . . 16 PHE HD1 . 7254 1 109 . 1 1 16 16 PHE HD2 H 1 7.12 0.01 . 1 . . . . 16 PHE HD2 . 7254 1 110 . 1 1 16 16 PHE HE1 H 1 7.28 0.01 . 1 . . . . 16 PHE HE1 . 7254 1 111 . 1 1 16 16 PHE HE2 H 1 7.28 0.01 . 1 . . . . 16 PHE HE2 . 7254 1 112 . 1 1 16 16 PHE HZ H 1 6.89 0.01 . 1 . . . . 16 PHE HZ . 7254 1 113 . 1 1 17 17 ARG H H 1 9.21 0.01 . 1 . . . . 17 ARG H . 7254 1 114 . 1 1 17 17 ARG HA H 1 3.65 0.01 . 1 . . . . 17 ARG HA . 7254 1 115 . 1 1 17 17 ARG HB2 H 1 1.47 0.01 . 1 . . . . 17 ARG HB2 . 7254 1 116 . 1 1 17 17 ARG HB3 H 1 1.51 0.01 . 1 . . . . 17 ARG HB3 . 7254 1 117 . 1 1 17 17 ARG HG2 H 1 1.38 0.01 . 1 . . . . 17 ARG HG2 . 7254 1 118 . 1 1 17 17 ARG HG3 H 1 1.38 0.01 . 1 . . . . 17 ARG HG3 . 7254 1 119 . 1 1 17 17 ARG HD2 H 1 2.76 0.01 . 2 . . . . 17 ARG HD2 . 7254 1 120 . 1 1 17 17 ARG HD3 H 1 3.17 0.01 . 2 . . . . 17 ARG HD3 . 7254 1 121 . 1 1 18 18 GLU H H 1 7.87 0.01 . 1 . . . . 18 GLU H . 7254 1 122 . 1 1 18 18 GLU HA H 1 3.99 0.01 . 1 . . . . 18 GLU HA . 7254 1 123 . 1 1 18 18 GLU HB2 H 1 2.05 0.01 . 1 . . . . 18 GLU HB2 . 7254 1 124 . 1 1 18 18 GLU HB3 H 1 2.05 0.01 . 1 . . . . 18 GLU HB3 . 7254 1 125 . 1 1 18 18 GLU HG2 H 1 2.15 0.01 . 2 . . . . 18 GLU HG2 . 7254 1 126 . 1 1 18 18 GLU HG3 H 1 2.22 0.01 . 2 . . . . 18 GLU HG3 . 7254 1 127 . 1 1 19 19 LEU H H 1 7.84 0.01 . 1 . . . . 19 LEU H . 7254 1 128 . 1 1 19 19 LEU HA H 1 4.05 0.01 . 1 . . . . 19 LEU HA . 7254 1 129 . 1 1 19 19 LEU HB2 H 1 1.52 0.01 . 2 . . . . 19 LEU HB2 . 7254 1 130 . 1 1 19 19 LEU HB3 H 1 2.21 0.01 . 2 . . . . 19 LEU HB3 . 7254 1 131 . 1 1 19 19 LEU HG H 1 2.02 0.01 . 1 . . . . 19 LEU HG . 7254 1 132 . 1 1 19 19 LEU HD11 H 1 0.74 0.01 . 2 . . . . 19 LEU HD1 . 7254 1 133 . 1 1 19 19 LEU HD12 H 1 0.74 0.01 . 2 . . . . 19 LEU HD1 . 7254 1 134 . 1 1 19 19 LEU HD13 H 1 0.74 0.01 . 2 . . . . 19 LEU HD1 . 7254 1 135 . 1 1 19 19 LEU HD21 H 1 0.88 0.01 . 2 . . . . 19 LEU HD2 . 7254 1 136 . 1 1 19 19 LEU HD22 H 1 0.88 0.01 . 2 . . . . 19 LEU HD2 . 7254 1 137 . 1 1 19 19 LEU HD23 H 1 0.88 0.01 . 2 . . . . 19 LEU HD2 . 7254 1 138 . 1 1 20 20 ASN H H 1 8.78 0.01 . 1 . . . . 20 ASN H . 7254 1 139 . 1 1 20 20 ASN HA H 1 4.52 0.01 . 1 . . . . 20 ASN HA . 7254 1 140 . 1 1 20 20 ASN HB2 H 1 2.34 0.01 . 2 . . . . 20 ASN HB2 . 7254 1 141 . 1 1 20 20 ASN HB3 H 1 2.76 0.01 . 2 . . . . 20 ASN HB3 . 7254 1 142 . 1 1 20 20 ASN HD21 H 1 6.29 0.01 . 2 . . . . 20 ASN HD21 . 7254 1 143 . 1 1 20 20 ASN HD22 H 1 7.62 0.01 . 2 . . . . 20 ASN HD22 . 7254 1 144 . 1 1 21 21 GLU H H 1 8.76 0.01 . 1 . . . . 21 GLU H . 7254 1 145 . 1 1 21 21 GLU HA H 1 3.99 0.01 . 1 . . . . 21 GLU HA . 7254 1 146 . 1 1 21 21 GLU HB2 H 1 2.06 0.01 . 2 . . . . 21 GLU HB2 . 7254 1 147 . 1 1 21 21 GLU HB3 H 1 2.15 0.01 . 2 . . . . 21 GLU HB3 . 7254 1 148 . 1 1 21 21 GLU HG2 H 1 2.20 0.01 . 2 . . . . 21 GLU HG2 . 7254 1 149 . 1 1 21 21 GLU HG3 H 1 2.49 0.01 . 2 . . . . 21 GLU HG3 . 7254 1 150 . 1 1 22 22 ALA H H 1 8.09 0.01 . 1 . . . . 22 ALA H . 7254 1 151 . 1 1 22 22 ALA HA H 1 4.05 0.01 . 1 . . . . 22 ALA HA . 7254 1 152 . 1 1 22 22 ALA HB1 H 1 1.51 0.01 . 1 . . . . 22 ALA HB . 7254 1 153 . 1 1 22 22 ALA HB2 H 1 1.51 0.01 . 1 . . . . 22 ALA HB . 7254 1 154 . 1 1 22 22 ALA HB3 H 1 1.51 0.01 . 1 . . . . 22 ALA HB . 7254 1 155 . 1 1 23 23 LEU H H 1 8.03 0.01 . 1 . . . . 23 LEU H . 7254 1 156 . 1 1 23 23 LEU HA H 1 4.01 0.01 . 1 . . . . 23 LEU HA . 7254 1 157 . 1 1 23 23 LEU HB2 H 1 1.39 0.01 . 2 . . . . 23 LEU HB2 . 7254 1 158 . 1 1 23 23 LEU HB3 H 1 2.17 0.01 . 2 . . . . 23 LEU HB3 . 7254 1 159 . 1 1 23 23 LEU HG H 1 2.00 0.01 . 1 . . . . 23 LEU HG . 7254 1 160 . 1 1 23 23 LEU HD11 H 1 0.85 0.01 . 2 . . . . 23 LEU HD1 . 7254 1 161 . 1 1 23 23 LEU HD12 H 1 0.85 0.01 . 2 . . . . 23 LEU HD1 . 7254 1 162 . 1 1 23 23 LEU HD13 H 1 0.85 0.01 . 2 . . . . 23 LEU HD1 . 7254 1 163 . 1 1 23 23 LEU HD21 H 1 0.97 0.01 . 2 . . . . 23 LEU HD2 . 7254 1 164 . 1 1 23 23 LEU HD22 H 1 0.97 0.01 . 2 . . . . 23 LEU HD2 . 7254 1 165 . 1 1 23 23 LEU HD23 H 1 0.97 0.01 . 2 . . . . 23 LEU HD2 . 7254 1 166 . 1 1 24 24 GLU H H 1 8.38 0.01 . 1 . . . . 24 GLU H . 7254 1 167 . 1 1 24 24 GLU HA H 1 4.19 0.01 . 1 . . . . 24 GLU HA . 7254 1 168 . 1 1 24 24 GLU HB2 H 1 2.05 0.01 . 2 . . . . 24 GLU HB2 . 7254 1 169 . 1 1 24 24 GLU HB3 H 1 2.16 0.01 . 2 . . . . 24 GLU HB3 . 7254 1 170 . 1 1 24 24 GLU HG2 H 1 2.74 0.01 . 2 . . . . 24 GLU HG2 . 7254 1 171 . 1 1 25 25 LEU H H 1 8.20 0.01 . 1 . . . . 25 LEU H . 7254 1 172 . 1 1 25 25 LEU HA H 1 4.24 0.01 . 1 . . . . 25 LEU HA . 7254 1 173 . 1 1 25 25 LEU HB2 H 1 1.78 0.01 . 2 . . . . 25 LEU HB2 . 7254 1 174 . 1 1 25 25 LEU HB3 H 1 1.93 0.01 . 2 . . . . 25 LEU HB3 . 7254 1 175 . 1 1 25 25 LEU HG H 1 1.67 0.01 . 1 . . . . 25 LEU HG . 7254 1 176 . 1 1 25 25 LEU HD11 H 1 0.87 0.01 . 2 . . . . 25 LEU HD1 . 7254 1 177 . 1 1 25 25 LEU HD12 H 1 0.87 0.01 . 2 . . . . 25 LEU HD1 . 7254 1 178 . 1 1 25 25 LEU HD13 H 1 0.87 0.01 . 2 . . . . 25 LEU HD1 . 7254 1 179 . 1 1 25 25 LEU HD21 H 1 0.93 0.01 . 2 . . . . 25 LEU HD2 . 7254 1 180 . 1 1 25 25 LEU HD22 H 1 0.93 0.01 . 2 . . . . 25 LEU HD2 . 7254 1 181 . 1 1 25 25 LEU HD23 H 1 0.93 0.01 . 2 . . . . 25 LEU HD2 . 7254 1 182 . 1 1 26 26 LYS H H 1 7.88 0.01 . 1 . . . . 26 LYS H . 7254 1 183 . 1 1 26 26 LYS HA H 1 3.95 0.01 . 1 . . . . 26 LYS HA . 7254 1 184 . 1 1 26 26 LYS HB2 H 1 1.80 0.01 . 2 . . . . 26 LYS HB2 . 7254 1 185 . 1 1 26 26 LYS HB3 H 1 2.28 0.01 . 2 . . . . 26 LYS HB3 . 7254 1 186 . 1 1 26 26 LYS HG2 H 1 1.49 0.01 . 2 . . . . 26 LYS HG2 . 7254 1 187 . 1 1 26 26 LYS HG3 H 1 1.55 0.01 . 2 . . . . 26 LYS HG3 . 7254 1 188 . 1 1 26 26 LYS HD2 H 1 1.63 0.01 . 2 . . . . 26 LYS HD2 . 7254 1 189 . 1 1 26 26 LYS HD3 H 1 1.68 0.01 . 2 . . . . 26 LYS HD3 . 7254 1 190 . 1 1 26 26 LYS HE2 H 1 2.98 0.01 . 1 . . . . 26 LYS HE2 . 7254 1 191 . 1 1 26 26 LYS HE3 H 1 2.98 0.01 . 1 . . . . 26 LYS HE3 . 7254 1 192 . 1 1 27 27 ASP H H 1 8.20 0.01 . 1 . . . . 27 ASP H . 7254 1 193 . 1 1 27 27 ASP HA H 1 4.36 0.01 . 1 . . . . 27 ASP HA . 7254 1 194 . 1 1 27 27 ASP HB2 H 1 2.74 0.01 . 2 . . . . 27 ASP HB2 . 7254 1 195 . 1 1 27 27 ASP HB3 H 1 2.96 0.01 . 2 . . . . 27 ASP HB3 . 7254 1 196 . 1 1 28 28 ALA H H 1 7.70 0.01 . 1 . . . . 28 ALA H . 7254 1 197 . 1 1 28 28 ALA HA H 1 4.24 0.01 . 1 . . . . 28 ALA HA . 7254 1 198 . 1 1 28 28 ALA HB1 H 1 1.56 0.01 . 1 . . . . 28 ALA HB . 7254 1 199 . 1 1 28 28 ALA HB2 H 1 1.56 0.01 . 1 . . . . 28 ALA HB . 7254 1 200 . 1 1 28 28 ALA HB3 H 1 1.56 0.01 . 1 . . . . 28 ALA HB . 7254 1 201 . 1 1 29 29 GLN H H 1 7.89 0.01 . 1 . . . . 29 GLN H . 7254 1 202 . 1 1 29 29 GLN HA H 1 4.24 0.01 . 1 . . . . 29 GLN HA . 7254 1 203 . 1 1 29 29 GLN HB2 H 1 2.09 0.01 . 2 . . . . 29 GLN HB2 . 7254 1 204 . 1 1 29 29 GLN HB3 H 1 2.24 0.01 . 2 . . . . 29 GLN HB3 . 7254 1 205 . 1 1 29 29 GLN HG2 H 1 2.50 0.01 . 1 . . . . 29 GLN HG2 . 7254 1 206 . 1 1 29 29 GLN HG3 H 1 2.50 0.01 . 1 . . . . 29 GLN HG3 . 7254 1 207 . 1 1 29 29 GLN HE21 H 1 6.92 0.01 . 2 . . . . 29 GLN HE21 . 7254 1 208 . 1 1 29 29 GLN HE22 H 1 7.45 0.01 . 2 . . . . 29 GLN HE22 . 7254 1 209 . 1 1 30 30 ALA H H 1 7.96 0.01 . 1 . . . . 30 ALA H . 7254 1 210 . 1 1 30 30 ALA HA H 1 4.32 0.01 . 1 . . . . 30 ALA HA . 7254 1 211 . 1 1 30 30 ALA HB1 H 1 1.48 0.01 . 1 . . . . 30 ALA HB . 7254 1 212 . 1 1 30 30 ALA HB2 H 1 1.48 0.01 . 1 . . . . 30 ALA HB . 7254 1 213 . 1 1 30 30 ALA HB3 H 1 1.48 0.01 . 1 . . . . 30 ALA HB . 7254 1 214 . 1 1 31 31 GLY H H 1 8.16 0.01 . 1 . . . . 31 GLY H . 7254 1 215 . 1 1 31 31 GLY HA2 H 1 3.92 0.01 . 1 . . . . 31 GLY HA2 . 7254 1 216 . 1 1 31 31 GLY HA3 H 1 3.92 0.01 . 1 . . . . 31 GLY HA3 . 7254 1 stop_ save_