data_6521 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6521 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Characterization of an amyloid fibril intermediate' 'Structure analysis' 'Data from the entries were used to assign residues for H/D exchange and stability studies at pH 4.0.' 6521 1 2 'Characterization of an amyloid fibril intermediate' 'Structure analysis' 'Data from the entries were used to assign residues at pH 6.0.' 6521 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 p53tet 6521 1 1 'p53 tetramerization domain' 6521 1 1 'Tumor suppressor protein p53 - human' 6521 1 1 'Tetramerization domain of p53 (residues 310 - 360)' 6521 1 1 'Nuclear Magnetic Resonance' 6521 1 1 'Hydrogen exchange studies' 6521 1 1 'Amyloid fibrils' 6521 1 1 Intermediate 6521 1 1 p53tet-wt 6521 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6521 _Entry.Title ; Characterization of an amyloid fibril intermediate ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-02-22 _Entry.Accession_date 2005-02-23 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 'Backbone residue assignments were used for H/D exchange, pKa and stability studies of p53tet-wt.' _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 Charles Galea . A. . 6521 2 Prentice Bowman . . . 6521 3 Richard Kriwacki . W. . 6521 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SJCRH . 6521 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6521 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 98 6521 '15N chemical shifts' 98 6521 '13C chemical shifts' 104 6521 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-29 2005-02-22 original author . 6521 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 4048 'Data were collected at a different pH for this molecular system.' 6521 . 6522 'Mutant p53 tetramerization domain (p53tet-R337H)' 6521 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6521 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16260757 _Citation.Full_citation . _Citation.Title ; Disruption of an intermonomer salt bridge in the p53 tetramerization domain results in an increased propensity to form amyloid fibrils. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 12 _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 2993 _Citation.Page_last 3003 _Citation.Year 2005 _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 Charles Galea . A. . 6521 1 2 Prentice Bowman . . . 6521 1 3 Richard Kriwacki . W. . 6521 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'p53 tetramerization domain' 6521 1 'tumor suppressor protein' 6521 1 'H/D exchange' 6521 1 'Amyloid fibril intermediate' 6521 1 pKa 6521 1 'Nuclear Magnetic Resonance' 6521 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6521 _Assembly.ID 1 _Assembly.Name 'p53 tetramer' _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 25060 _Assembly.Enzyme_commission_number . _Assembly.Details Homotetramer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6521 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 A' 1 $p53_tetramerization_domain_polypeptide . . yes native no no 1 'oligomerization domain' . 6521 1 2 'subunit B' 1 $p53_tetramerization_domain_polypeptide . . yes native no no 1 'oligomerization domain' . 6521 1 3 'subunit C' 1 $p53_tetramerization_domain_polypeptide . . yes native no no 1 'oligomerization domain' . 6521 1 4 'subunit D' 1 $p53_tetramerization_domain_polypeptide . . yes native no no 1 'oligomerization domain' . 6521 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1AIE . . 'X-ray crystallography' 1.5 'Crystal structure of p53 tetramerization domain' . 6521 1 yes PDB 1C26 . . 'X-ray crystallography' 1.7 'Crystal structure of p53 tetramerization domain' . 6521 1 yes PDB 1PES . . NMR . 'NMR solution structure of p53 tetramerization domain' . 6521 1 yes PDB 1PET . . NMR . 'NMR solution structure of p53 tetramerization domain' . 6521 1 yes PDB 1HS5 . . NMR . 'Mutant p53 tetramerization domain designed dimer' . 6521 1 yes PDB 1AIU . . NMR . 'Mutant p53 tetramerization domain dimer' 'Mutants: M40K, F41I, L44Y' 6521 1 yes PDB 1OLG . . NMR . 'NMR solution structure of p53 tetramerization domain' . 6521 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 6521 1 'Oligomerization domain' 6521 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'p53 tetramerization domain' 6521 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53_tetramerization_domain_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode p53_tetramerization_domain_polypeptide _Entity.Entry_ID 6521 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53tet _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 ; GSHMNNTSSSPQPKKKPLDG EYFTLQIRGRERFEMFRELN EALELKDAQAGKEPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 10 to 60 correspond to the residues 310 to 360 of the p53 tetramerization domain.' _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 55 _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 6265 _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 BMRB 4048 . p53tet . . . . . 92.73 66 100.00 100.00 7.71e-28 . . . . 6521 1 2 no BMRB 6522 . Mutant_p53_tetramerization_domain_polypeptide . . . . . 100.00 54 98.18 98.18 1.45e-28 . . . . 6521 1 3 no BMRB 7251 . p53TD_wild_type . . . . . 56.36 31 100.00 100.00 4.61e-12 . . . . 6521 1 4 no PDB 1AIE . "P53 Tetramerization Domain Crystal Structure" . . . . . 56.36 31 100.00 100.00 4.61e-12 . . . . 6521 1 5 no PDB 1C26 . "Crystal Structure Of P53 Tetramerization Domain" . . . . . 58.18 32 100.00 100.00 7.00e-13 . . . . 6521 1 6 no PDB 1OLG . "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 7 no PDB 1OLH . "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 8 no PDB 1PES . "Nmr Solution Structure Of The Tetrameric Minimum Transforming Domain Of P53" . . . . . 56.36 31 100.00 100.00 4.61e-12 . . . . 6521 1 9 no PDB 1PET . "Nmr Solution Structure Of The Tetrameric Minimum Transforming Domain Of P53" . . . . . 56.36 31 100.00 100.00 4.61e-12 . . . . 6521 1 10 no PDB 1SAE . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 11 no PDB 1SAF . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 12 no PDB 1SAK . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 13 no PDB 1SAL . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 14 no PDB 2J0Z . "P53 Tetramerization Domain Wild Type" . . . . . 56.36 31 100.00 100.00 4.61e-12 . . . . 6521 1 15 no PDB 3SAK . "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" . . . . . 76.36 42 100.00 100.00 2.42e-20 . . . . 6521 1 16 no DBJ BAC16799 . "P53 [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 8.89e-26 . . . . 6521 1 17 no DBJ BAD96746 . "tumor protein p53 variant [Homo sapiens]" . . . . . 92.73 158 100.00 100.00 6.88e-27 . . . . 6521 1 18 no DBJ BAG35463 . "unnamed protein product [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.34e-26 . . . . 6521 1 19 no DBJ BAG59884 . "unnamed protein product [Homo sapiens]" . . . . . 92.73 368 100.00 100.00 9.04e-26 . . . . 6521 1 20 no DBJ BAG60244 . "unnamed protein product [Homo sapiens]" . . . . . 92.73 383 100.00 100.00 1.00e-25 . . . . 6521 1 21 no EMBL CAA25652 . "p53 [Homo sapiens]" . . . . . 92.73 293 100.00 100.00 4.37e-26 . . . . 6521 1 22 no EMBL CAA26306 . "unnamed protein product [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.43e-26 . . . . 6521 1 23 no EMBL CAA34420 . "unnamed protein product [Chlorocebus aethiops]" . . . . . 92.73 393 98.04 98.04 4.27e-25 . . . . 6521 1 24 no EMBL CAA38095 . "protein p53 [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.34e-26 . . . . 6521 1 25 no EMBL CAA42626 . "p53 transformation suppressor [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.71e-26 . . . . 6521 1 26 no GB AAA17994 . "p53 [Macaca mulatta]" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 1 27 no GB AAA59987 . "phosphoprotein p53 [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.91e-26 . . . . 6521 1 28 no GB AAA59988 . "phosphoprotein p53 [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.43e-26 . . . . 6521 1 29 no GB AAA59989 . "p53 cellular tumor antigen [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.06e-26 . . . . 6521 1 30 no GB AAA61211 . "p53 antigen [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.24e-26 . . . . 6521 1 31 no PRF 2006287A . "p53 protein" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 1 32 no REF NP_000537 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.43e-26 . . . . 6521 1 33 no REF NP_001040616 . "cellular tumor antigen p53 [Macaca mulatta]" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 1 34 no REF NP_001119584 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 92.73 393 100.00 100.00 9.43e-26 . . . . 6521 1 35 no REF NP_001119587 . "cellular tumor antigen p53 isoform d [Homo sapiens]" . . . . . 92.73 261 100.00 100.00 3.01e-26 . . . . 6521 1 36 no REF NP_001119590 . "cellular tumor antigen p53 isoform g [Homo sapiens]" . . . . . 92.73 354 100.00 100.00 8.42e-26 . . . . 6521 1 37 no SP P04637 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" . . . . . 92.73 393 100.00 100.00 9.43e-26 . . . . 6521 1 38 no SP P13481 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Chlorocebus aethiops]" . . . . . 92.73 393 98.04 98.04 4.27e-25 . . . . 6521 1 39 no SP P56423 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca fascicularis]" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 1 40 no SP P56424 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca mulatta]" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 1 41 no SP P61260 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Macaca fuscata fuscata]" . . . . . 92.73 393 98.04 98.04 4.23e-25 . . . . 6521 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 6 GLY . 6521 1 2 7 SER . 6521 1 3 8 HIS . 6521 1 4 9 MET . 6521 1 5 10 ASN . 6521 1 6 11 ASN . 6521 1 7 12 THR . 6521 1 8 13 SER . 6521 1 9 14 SER . 6521 1 10 15 SER . 6521 1 11 16 PRO . 6521 1 12 17 GLN . 6521 1 13 18 PRO . 6521 1 14 19 LYS . 6521 1 15 20 LYS . 6521 1 16 21 LYS . 6521 1 17 22 PRO . 6521 1 18 23 LEU . 6521 1 19 24 ASP . 6521 1 20 25 GLY . 6521 1 21 26 GLU . 6521 1 22 27 TYR . 6521 1 23 28 PHE . 6521 1 24 29 THR . 6521 1 25 30 LEU . 6521 1 26 31 GLN . 6521 1 27 32 ILE . 6521 1 28 33 ARG . 6521 1 29 34 GLY . 6521 1 30 35 ARG . 6521 1 31 36 GLU . 6521 1 32 37 ARG . 6521 1 33 38 PHE . 6521 1 34 39 GLU . 6521 1 35 40 MET . 6521 1 36 41 PHE . 6521 1 37 42 ARG . 6521 1 38 43 GLU . 6521 1 39 44 LEU . 6521 1 40 45 ASN . 6521 1 41 46 GLU . 6521 1 42 47 ALA . 6521 1 43 48 LEU . 6521 1 44 49 GLU . 6521 1 45 50 LEU . 6521 1 46 51 LYS . 6521 1 47 52 ASP . 6521 1 48 53 ALA . 6521 1 49 54 GLN . 6521 1 50 55 ALA . 6521 1 51 56 GLY . 6521 1 52 57 LYS . 6521 1 53 58 GLU . 6521 1 54 59 PRO . 6521 1 55 60 GLY . 6521 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 6521 1 . SER 2 2 6521 1 . HIS 3 3 6521 1 . MET 4 4 6521 1 . ASN 5 5 6521 1 . ASN 6 6 6521 1 . THR 7 7 6521 1 . SER 8 8 6521 1 . SER 9 9 6521 1 . SER 10 10 6521 1 . PRO 11 11 6521 1 . GLN 12 12 6521 1 . PRO 13 13 6521 1 . LYS 14 14 6521 1 . LYS 15 15 6521 1 . LYS 16 16 6521 1 . PRO 17 17 6521 1 . LEU 18 18 6521 1 . ASP 19 19 6521 1 . GLY 20 20 6521 1 . GLU 21 21 6521 1 . TYR 22 22 6521 1 . PHE 23 23 6521 1 . THR 24 24 6521 1 . LEU 25 25 6521 1 . GLN 26 26 6521 1 . ILE 27 27 6521 1 . ARG 28 28 6521 1 . GLY 29 29 6521 1 . ARG 30 30 6521 1 . GLU 31 31 6521 1 . ARG 32 32 6521 1 . PHE 33 33 6521 1 . GLU 34 34 6521 1 . MET 35 35 6521 1 . PHE 36 36 6521 1 . ARG 37 37 6521 1 . GLU 38 38 6521 1 . LEU 39 39 6521 1 . ASN 40 40 6521 1 . GLU 41 41 6521 1 . ALA 42 42 6521 1 . LEU 43 43 6521 1 . GLU 44 44 6521 1 . LEU 45 45 6521 1 . LYS 46 46 6521 1 . ASP 47 47 6521 1 . ALA 48 48 6521 1 . GLN 49 49 6521 1 . ALA 50 50 6521 1 . GLY 51 51 6521 1 . LYS 52 52 6521 1 . GLU 53 53 6521 1 . PRO 54 54 6521 1 . GLY 55 55 6521 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 6521 _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 $p53_tetramerization_domain_polypeptide . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6521 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 6521 _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 $p53_tetramerization_domain_polypeptide . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pET28a . Novagen . . . . 6521 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6521 _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 p53tet [U-15N] . . 1 $p53_tetramerization_domain_polypeptide . . 4.0 . . mM . . . . 6521 1 2 Na2HPO4 . . . 1 . . . 10 . . mM . . . . 6521 1 3 NaCl . . . 1 . . . 50 . . mM . . . . 6521 1 4 NaN3 . . . 1 . . . 0.02 . . % . . . . 6521 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6521 _Sample.ID 2 _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 p53tet [U-15N] . . 1 $p53_tetramerization_domain_polypeptide . . 4.0 . . mM . . . . 6521 2 2 Na2HPO4 . . . 1 . . . 10 . . mM . . . . 6521 2 3 NaCl . . . 1 . . . 50 . . mM . . . . 6521 2 4 NaN3 . . . 1 . . . 0.02 . . % . . . . 6521 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6521 _Sample.ID 3 _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 p53tet '[U-13C; U-15N]' . . 1 $p53_tetramerization_domain_polypeptide . . 4.0 . . mM . . . . 6521 3 2 Na2HPO4 . . . 1 . . . 10 . . mM . . . . 6521 3 3 NaCl . . . 1 . . . 50 . . mM . . . . 6521 3 4 NaN3 . . . 1 . . . 0.02 . . % . . . . 6521 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6521 _Sample.ID 4 _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 p53tet '[U-13C; U-15N]' . . 1 $p53_tetramerization_domain_polypeptide . . 4.0 . . mM . . . . 6521 4 2 Na2HPO4 . . . 1 . . . 10 . . mM . . . . 6521 4 3 NaCl . . . 1 . . . 50 . . mM . . . . 6521 4 4 NaN3 . . . 1 . . . 0.02 . . % . . . . 6521 4 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 6521 _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 6.0 0.05 pH 6521 1 temperature 293.0 0.1 K 6521 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 6521 _Sample_condition_list.ID 2 _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 4.0 0.05 pH 6521 2 temperature 293.0 0.1 K 6521 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6521 _Software.ID 1 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys ; Accelrys, Inc. 10188 Telesis Court, Suite 100 San Diego, CA 92121 USA Phone: +1 858 799 5000 Fax: +1 858 799 5100 ; http://www.accelrys.com/ 6521 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6521 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 6521 _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 1H15N_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 3 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 4 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 5 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 6 1H15N_NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6521 1 stop_ 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 6521 _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 TSP 'methyl protons' . . . . ppm 0.00 external indirect . . . . . . . . . . 6521 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 6521 _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 chemical shift values for wild type p53tet at pH 4.0.' _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 1H15N_HSQC 2 $sample_1 isotropic 6521 1 2 HNCA 3 $sample_2 isotropic 6521 1 3 HN(CO)CA 3 $sample_2 isotropic 6521 1 4 HNCACB 3 $sample_2 isotropic 6521 1 5 CBCA(CO)NH 3 $sample_2 isotropic 6521 1 6 1H15N_NOESY 2 $sample_1 isotropic 6521 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 . . 6521 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 3 3 HIS H H 1 8.502 . . . . . . . 8 HIS H . 6521 1 2 . 1 1 3 3 HIS N N 15 122.268 . . . . . . . 8 HIS N . 6521 1 3 . 1 1 4 4 MET H H 1 8.255 . . . . . . . 9 MET H . 6521 1 4 . 1 1 4 4 MET CA C 13 55.34815 . . . . . . . 9 MET CA . 6521 1 5 . 1 1 4 4 MET N N 15 122.938 . . . . . . . 9 MET N . 6521 1 6 . 1 1 5 5 ASN H H 1 8.412 . . . . . . . 10 ASN H . 6521 1 7 . 1 1 5 5 ASN N N 15 121.342 . . . . . . . 10 ASN N . 6521 1 8 . 1 1 6 6 ASN H H 1 8.322 . . . . . . . 11 ASN H . 6521 1 9 . 1 1 6 6 ASN CA C 13 53.32227 . . . . . . . 11 ASN CA . 6521 1 10 . 1 1 6 6 ASN N N 15 120.806 . . . . . . . 11 ASN N . 6521 1 11 . 1 1 7 7 THR H H 1 8.05 . . . . . . . 12 THR H . 6521 1 12 . 1 1 7 7 THR CA C 13 61.51926 . . . . . . . 12 THR CA . 6521 1 13 . 1 1 7 7 THR N N 15 115.352 . . . . . . . 12 THR N . 6521 1 14 . 1 1 8 8 SER H H 1 8.211 . . . . . . . 13 SER H . 6521 1 15 . 1 1 8 8 SER CA C 13 58.15683 . . . . . . . 13 SER CA . 6521 1 16 . 1 1 8 8 SER N N 15 119.157 . . . . . . . 13 SER N . 6521 1 17 . 1 1 9 9 SER H H 1 8.181 . . . . . . . 14 SER H . 6521 1 18 . 1 1 9 9 SER CA C 13 58.15683 . . . . . . . 14 SER CA . 6521 1 19 . 1 1 9 9 SER N N 15 118.938 . . . . . . . 14 SER N . 6521 1 20 . 1 1 10 10 SER H H 1 8.113 . . . . . . . 15 SER H . 6521 1 21 . 1 1 10 10 SER CA C 13 56.39097 . . . . . . . 15 SER CA . 6521 1 22 . 1 1 10 10 SER N N 15 120.121 . . . . . . . 15 SER N . 6521 1 23 . 1 1 11 11 PRO CA C 13 63.03533 . . . . . . . 16 PRO CA . 6521 1 24 . 1 1 12 12 GLN H H 1 7.936 . . . . . . . 17 GLN H . 6521 1 25 . 1 1 12 12 GLN N N 15 120.426 . . . . . . . 17 GLN N . 6521 1 26 . 1 1 14 14 LYS H H 1 8.268 . . . . . . . 19 LYS H . 6521 1 27 . 1 1 14 14 LYS CA C 13 56.30585 . . . . . . . 19 LYS CA . 6521 1 28 . 1 1 14 14 LYS N N 15 123.222 . . . . . . . 19 LYS N . 6521 1 29 . 1 1 15 15 LYS H H 1 8.074 . . . . . . . 20 LYS H . 6521 1 30 . 1 1 15 15 LYS CA C 13 56.24077 . . . . . . . 20 LYS CA . 6521 1 31 . 1 1 15 15 LYS N N 15 124.207 . . . . . . . 20 LYS N . 6521 1 32 . 1 1 16 16 LYS H H 1 7.956 . . . . . . . 21 LYS H . 6521 1 33 . 1 1 16 16 LYS CA C 13 54.23303 . . . . . . . 21 LYS CA . 6521 1 34 . 1 1 16 16 LYS N N 15 123.097 . . . . . . . 21 LYS N . 6521 1 35 . 1 1 17 17 PRO CA C 13 63.08745 . . . . . . . 22 PRO CA . 6521 1 36 . 1 1 18 18 LEU H H 1 8.218 . . . . . . . 23 LEU H . 6521 1 37 . 1 1 18 18 LEU CA C 13 55.11242 . . . . . . . 23 LEU CA . 6521 1 38 . 1 1 18 18 LEU N N 15 123.28 . . . . . . . 23 LEU N . 6521 1 39 . 1 1 19 19 ASP H H 1 8.127 . . . . . . . 24 ASP H . 6521 1 40 . 1 1 19 19 ASP CA C 13 54.14381 . . . . . . . 24 ASP CA . 6521 1 41 . 1 1 19 19 ASP N N 15 122.646 . . . . . . . 24 ASP N . 6521 1 42 . 1 1 20 20 GLY H H 1 8.091 . . . . . . . 25 GLY H . 6521 1 43 . 1 1 20 20 GLY CA C 13 44.89923 . . . . . . . 25 GLY CA . 6521 1 44 . 1 1 20 20 GLY N N 15 110.296 . . . . . . . 25 GLY N . 6521 1 45 . 1 1 21 21 GLU H H 1 7.837 . . . . . . . 26 GLU H . 6521 1 46 . 1 1 21 21 GLU CA C 13 56.00053 . . . . . . . 26 GLU CA . 6521 1 47 . 1 1 21 21 GLU N N 15 121.99 . . . . . . . 26 GLU N . 6521 1 48 . 1 1 22 22 TYR H H 1 7.827 . . . . . . . 27 TYR H . 6521 1 49 . 1 1 22 22 TYR CA C 13 57.3091 . . . . . . . 27 TYR CA . 6521 1 50 . 1 1 22 22 TYR N N 15 121.256 . . . . . . . 27 TYR N . 6521 1 51 . 1 1 23 23 PHE H H 1 9.15 . . . . . . . 28 PHE H . 6521 1 52 . 1 1 23 23 PHE CA C 13 56.54295 . . . . . . . 28 PHE CA . 6521 1 53 . 1 1 23 23 PHE N N 15 122.392 . . . . . . . 28 PHE N . 6521 1 54 . 1 1 24 24 THR H H 1 8.25 . . . . . . . 29 THR H . 6521 1 55 . 1 1 24 24 THR CA C 13 61.41326 . . . . . . . 29 THR CA . 6521 1 56 . 1 1 24 24 THR N N 15 115.644 . . . . . . . 29 THR N . 6521 1 57 . 1 1 25 25 LEU H H 1 8.791 . . . . . . . 30 LEU H . 6521 1 58 . 1 1 25 25 LEU CA C 13 53.30207 . . . . . . . 30 LEU CA . 6521 1 59 . 1 1 25 25 LEU N N 15 128.02 . . . . . . . 30 LEU N . 6521 1 60 . 1 1 26 26 GLN H H 1 8.497 . . . . . . . 31 GLN H . 6521 1 61 . 1 1 26 26 GLN CA C 13 54.91596 . . . . . . . 31 GLN CA . 6521 1 62 . 1 1 26 26 GLN N N 15 126.421 . . . . . . . 31 GLN N . 6521 1 63 . 1 1 27 27 ILE H H 1 9.24 . . . . . . . 32 ILE H . 6521 1 64 . 1 1 27 27 ILE CA C 13 59.33935 . . . . . . . 32 ILE CA . 6521 1 65 . 1 1 27 27 ILE N N 15 127.865 . . . . . . . 32 ILE N . 6521 1 66 . 1 1 28 28 ARG H H 1 9.649 . . . . . . . 33 ARG H . 6521 1 67 . 1 1 28 28 ARG CA C 13 56.08375 . . . . . . . 33 ARG CA . 6521 1 68 . 1 1 28 28 ARG N N 15 131.598 . . . . . . . 33 ARG N . 6521 1 69 . 1 1 29 29 GLY H H 1 8.55 . . . . . . . 34 GLY H . 6521 1 70 . 1 1 29 29 GLY CA C 13 44.89077 . . . . . . . 34 GLY CA . 6521 1 71 . 1 1 29 29 GLY N N 15 116.299 . . . . . . . 34 GLY N . 6521 1 72 . 1 1 30 30 ARG H H 1 8.776 . . . . . . . 35 ARG H . 6521 1 73 . 1 1 30 30 ARG CA C 13 58.89011 . . . . . . . 35 ARG CA . 6521 1 74 . 1 1 30 30 ARG N N 15 127.594 . . . . . . . 35 ARG N . 6521 1 75 . 1 1 31 31 GLU H H 1 8.688 . . . . . . . 36 GLU H . 6521 1 76 . 1 1 31 31 GLU CA C 13 60.3909 . . . . . . . 36 GLU CA . 6521 1 77 . 1 1 31 31 GLU N N 15 119.714 . . . . . . . 36 GLU N . 6521 1 78 . 1 1 32 32 ARG H H 1 7.827 . . . . . . . 37 ARG H . 6521 1 79 . 1 1 32 32 ARG CA C 13 56.20694 . . . . . . . 37 ARG CA . 6521 1 80 . 1 1 32 32 ARG N N 15 124.094 . . . . . . . 37 ARG N . 6521 1 81 . 1 1 33 33 PHE H H 1 8.255 . . . . . . . 38 PHE H . 6521 1 82 . 1 1 33 33 PHE CA C 13 61.97559 . . . . . . . 38 PHE CA . 6521 1 83 . 1 1 33 33 PHE N N 15 121.67 . . . . . . . 38 PHE N . 6521 1 84 . 1 1 34 34 GLU H H 1 8.396 . . . . . . . 39 GLU H . 6521 1 85 . 1 1 34 34 GLU CA C 13 58.98247 . . . . . . . 39 GLU CA . 6521 1 86 . 1 1 34 34 GLU N N 15 119.473 . . . . . . . 39 GLU N . 6521 1 87 . 1 1 35 35 MET H H 1 7.425 . . . . . . . 40 MET H . 6521 1 88 . 1 1 35 35 MET CA C 13 58.9635 . . . . . . . 40 MET CA . 6521 1 89 . 1 1 35 35 MET N N 15 121.919 . . . . . . . 40 MET N . 6521 1 90 . 1 1 36 36 PHE H H 1 7.86 . . . . . . . 41 PHE H . 6521 1 91 . 1 1 36 36 PHE CA C 13 60.76184 . . . . . . . 41 PHE CA . 6521 1 92 . 1 1 36 36 PHE N N 15 119.043 . . . . . . . 41 PHE N . 6521 1 93 . 1 1 37 37 ARG H H 1 9.09 . . . . . . . 42 ARG H . 6521 1 94 . 1 1 37 37 ARG CA C 13 59.8272 . . . . . . . 42 ARG CA . 6521 1 95 . 1 1 37 37 ARG N N 15 122.386 . . . . . . . 42 ARG N . 6521 1 96 . 1 1 38 38 GLU H H 1 7.75 . . . . . . . 43 GLU H . 6521 1 97 . 1 1 38 38 GLU CA C 13 59.45067 . . . . . . . 43 GLU CA . 6521 1 98 . 1 1 38 38 GLU N N 15 121.564 . . . . . . . 43 GLU N . 6521 1 99 . 1 1 39 39 LEU H H 1 7.658 . . . . . . . 44 LEU H . 6521 1 100 . 1 1 39 39 LEU CA C 13 57.95821 . . . . . . . 44 LEU CA . 6521 1 101 . 1 1 39 39 LEU N N 15 119.646 . . . . . . . 44 LEU N . 6521 1 102 . 1 1 40 40 ASN H H 1 8.649 . . . . . . . 45 ASN H . 6521 1 103 . 1 1 40 40 ASN CA C 13 57.1855 . . . . . . . 45 ASN CA . 6521 1 104 . 1 1 40 40 ASN N N 15 118.448 . . . . . . . 45 ASN N . 6521 1 105 . 1 1 41 41 GLU H H 1 8.658 . . . . . . . 46 GLU H . 6521 1 106 . 1 1 41 41 GLU CA C 13 59.27851 . . . . . . . 46 GLU CA . 6521 1 107 . 1 1 41 41 GLU N N 15 119.701 . . . . . . . 46 GLU N . 6521 1 108 . 1 1 42 42 ALA H H 1 7.959 . . . . . . . 47 ALA H . 6521 1 109 . 1 1 42 42 ALA CA C 13 55.25634 . . . . . . . 47 ALA CA . 6521 1 110 . 1 1 42 42 ALA N N 15 123.333 . . . . . . . 47 ALA N . 6521 1 111 . 1 1 43 43 LEU H H 1 8.238 . . . . . . . 48 LEU H . 6521 1 112 . 1 1 43 43 LEU CA C 13 57.908 . . . . . . . 48 LEU CA . 6521 1 113 . 1 1 43 43 LEU N N 15 121.453 . . . . . . . 48 LEU N . 6521 1 114 . 1 1 44 44 GLU H H 1 8.255 . . . . . . . 49 GLU H . 6521 1 115 . 1 1 44 44 GLU CA C 13 59.73648 . . . . . . . 49 GLU CA . 6521 1 116 . 1 1 44 44 GLU N N 15 120.053 . . . . . . . 49 GLU N . 6521 1 117 . 1 1 45 45 LEU H H 1 8.041 . . . . . . . 50 LEU H . 6521 1 118 . 1 1 45 45 LEU CA C 13 57.76803 . . . . . . . 50 LEU CA . 6521 1 119 . 1 1 45 45 LEU N N 15 125.08 . . . . . . . 50 LEU N . 6521 1 120 . 1 1 46 46 LYS H H 1 7.739 . . . . . . . 51 LYS H . 6521 1 121 . 1 1 46 46 LYS CA C 13 59.46336 . . . . . . . 51 LYS CA . 6521 1 122 . 1 1 46 46 LYS N N 15 122.909 . . . . . . . 51 LYS N . 6521 1 123 . 1 1 47 47 ASP H H 1 8.109 . . . . . . . 52 ASP H . 6521 1 124 . 1 1 47 47 ASP CA C 13 56.73121 . . . . . . . 52 ASP CA . 6521 1 125 . 1 1 47 47 ASP N N 15 121.535 . . . . . . . 52 ASP N . 6521 1 126 . 1 1 48 48 ALA H H 1 7.539 . . . . . . . 53 ALA H . 6521 1 127 . 1 1 48 48 ALA CA C 13 53.8565 . . . . . . . 53 ALA CA . 6521 1 128 . 1 1 48 48 ALA N N 15 122.322 . . . . . . . 53 ALA N . 6521 1 129 . 1 1 49 49 GLN H H 1 7.729 . . . . . . . 54 GLN H . 6521 1 130 . 1 1 49 49 GLN CA C 13 56.5585 . . . . . . . 54 GLN CA . 6521 1 131 . 1 1 49 49 GLN N N 15 118.236 . . . . . . . 54 GLN N . 6521 1 132 . 1 1 50 50 ALA H H 1 7.693 . . . . . . . 55 ALA H . 6521 1 133 . 1 1 50 50 ALA CA C 13 53.1205 . . . . . . . 55 ALA CA . 6521 1 134 . 1 1 50 50 ALA N N 15 123.961 . . . . . . . 55 ALA N . 6521 1 135 . 1 1 51 51 GLY H H 1 8.06 . . . . . . . 56 GLY H . 6521 1 136 . 1 1 51 51 GLY CA C 13 45.36198 . . . . . . . 56 GLY CA . 6521 1 137 . 1 1 51 51 GLY N N 15 108.609 . . . . . . . 56 GLY N . 6521 1 138 . 1 1 52 52 LYS H H 1 7.786 . . . . . . . 57 LYS H . 6521 1 139 . 1 1 52 52 LYS CA C 13 55.81595 . . . . . . . 57 LYS CA . 6521 1 140 . 1 1 52 52 LYS N N 15 121.835 . . . . . . . 57 LYS N . 6521 1 141 . 1 1 53 53 GLU H H 1 8.283 . . . . . . . 58 GLU H . 6521 1 142 . 1 1 53 53 GLU CA C 13 54.3202 . . . . . . . 58 GLU CA . 6521 1 143 . 1 1 53 53 GLU N N 15 126.176 . . . . . . . 58 GLU N . 6521 1 144 . 1 1 54 54 PRO CA C 13 63.18758 . . . . . . . 59 PRO CA . 6521 1 145 . 1 1 55 55 GLY H H 1 7.879 . . . . . . . 60 GLY H . 6521 1 146 . 1 1 55 55 GLY CA C 13 46.29756 . . . . . . . 60 GLY CA . 6521 1 147 . 1 1 55 55 GLY N N 15 116.629 . . . . . . . 60 GLY N . 6521 1 stop_ save_ save_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 6521 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _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 chemical shift values for wild type p53tet at pH 4.0.' _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 1H15N_HSQC 2 $sample_1 isotropic 6521 2 2 HNCA 3 $sample_2 isotropic 6521 2 3 HN(CO)CA 3 $sample_2 isotropic 6521 2 4 HNCACB 3 $sample_2 isotropic 6521 2 5 CBCA(CO)NH 3 $sample_2 isotropic 6521 2 6 1H15N_NOESY 2 $sample_1 isotropic 6521 2 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 . $method_1 6521 2 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 GLY CA C 13 43.32384 . . . . . . . 6 GLY CA . 6521 2 2 . 1 1 2 2 SER H H 1 8.478 . . . . . . . 7 SER H . 6521 2 3 . 1 1 2 2 SER CA C 13 58.25784 . . . . . . . 7 SER CA . 6521 2 4 . 1 1 2 2 SER N N 15 116.745 . . . . . . . 7 SER N . 6521 2 5 . 1 1 3 3 HIS H H 1 8.543 . . . . . . . 8 HIS H . 6521 2 6 . 1 1 3 3 HIS CA C 13 55.3554 . . . . . . . 8 HIS CA . 6521 2 7 . 1 1 3 3 HIS N N 15 121.776 . . . . . . . 8 HIS N . 6521 2 8 . 1 1 4 4 MET H H 1 8.281 . . . . . . . 9 MET H . 6521 2 9 . 1 1 4 4 MET CA C 13 55.45662 . . . . . . . 9 MET CA . 6521 2 10 . 1 1 4 4 MET N N 15 123.082 . . . . . . . 9 MET N . 6521 2 11 . 1 1 5 5 ASN H H 1 8.399 . . . . . . . 10 ASN H . 6521 2 12 . 1 1 5 5 ASN CA C 13 53.22237 . . . . . . . 10 ASN CA . 6521 2 13 . 1 1 5 5 ASN N N 15 121.499 . . . . . . . 10 ASN N . 6521 2 14 . 1 1 6 6 ASN CA C 13 53.22237 . . . . . . . 11 ASN CA . 6521 2 15 . 1 1 7 7 THR H H 1 8.036 . . . . . . . 12 THR H . 6521 2 16 . 1 1 7 7 THR CA C 13 61.98397 . . . . . . . 12 THR CA . 6521 2 17 . 1 1 7 7 THR N N 15 115.425 . . . . . . . 12 THR N . 6521 2 18 . 1 1 8 8 SER H H 1 8.198 . . . . . . . 13 SER H . 6521 2 19 . 1 1 8 8 SER CA C 13 58.52877 . . . . . . . 13 SER CA . 6521 2 20 . 1 1 8 8 SER N N 15 119.233 . . . . . . . 13 SER N . 6521 2 21 . 1 1 9 9 SER H H 1 8.165 . . . . . . . 14 SER H . 6521 2 22 . 1 1 9 9 SER CA C 13 58.25538 . . . . . . . 14 SER CA . 6521 2 23 . 1 1 9 9 SER N N 15 118.984 . . . . . . . 14 SER N . 6521 2 24 . 1 1 10 10 SER H H 1 8.109 . . . . . . . 15 SER H . 6521 2 25 . 1 1 10 10 SER CA C 13 55.64543 . . . . . . . 15 SER CA . 6521 2 26 . 1 1 10 10 SER N N 15 120.168 . . . . . . . 15 SER N . 6521 2 27 . 1 1 11 11 PRO CA C 13 63.47912 . . . . . . . 16 PRO CA . 6521 2 28 . 1 1 12 12 GLN H H 1 7.921 . . . . . . . 17 GLN H . 6521 2 29 . 1 1 12 12 GLN CA C 13 52.91788 . . . . . . . 17 GLN CA . 6521 2 30 . 1 1 12 12 GLN N N 15 120.482 . . . . . . . 17 GLN N . 6521 2 31 . 1 1 13 13 PRO CA C 13 62.92472 . . . . . . . 18 PRO CA . 6521 2 32 . 1 1 14 14 LYS H H 1 8.255 . . . . . . . 19 LYS H . 6521 2 33 . 1 1 14 14 LYS CA C 13 56.20256 . . . . . . . 19 LYS CA . 6521 2 34 . 1 1 14 14 LYS N N 15 123.247 . . . . . . . 19 LYS N . 6521 2 35 . 1 1 15 15 LYS H H 1 8.152 . . . . . . . 20 LYS H . 6521 2 36 . 1 1 15 15 LYS CA C 13 56.20201 . . . . . . . 20 LYS CA . 6521 2 37 . 1 1 15 15 LYS N N 15 124.356 . . . . . . . 20 LYS N . 6521 2 38 . 1 1 16 16 LYS H H 1 8.04 . . . . . . . 21 LYS H . 6521 2 39 . 1 1 16 16 LYS CA C 13 54.14919 . . . . . . . 21 LYS CA . 6521 2 40 . 1 1 16 16 LYS N N 15 124.178 . . . . . . . 21 LYS N . 6521 2 41 . 1 1 17 17 PRO CA C 13 63.10479 . . . . . . . 22 PRO CA . 6521 2 42 . 1 1 18 18 LEU H H 1 8.192 . . . . . . . 23 LEU H . 6521 2 43 . 1 1 18 18 LEU CA C 13 55.26946 . . . . . . . 23 LEU CA . 6521 2 44 . 1 1 18 18 LEU N N 15 123.417 . . . . . . . 23 LEU N . 6521 2 45 . 1 1 19 19 ASP H H 1 8.154 . . . . . . . 24 ASP H . 6521 2 46 . 1 1 19 19 ASP CA C 13 54.15028 . . . . . . . 24 ASP CA . 6521 2 47 . 1 1 19 19 ASP N N 15 122.164 . . . . . . . 24 ASP N . 6521 2 48 . 1 1 20 20 GLY H H 1 8.085 . . . . . . . 25 GLY H . 6521 2 49 . 1 1 20 20 GLY CA C 13 45.18705 . . . . . . . 25 GLY CA . 6521 2 50 . 1 1 20 20 GLY N N 15 110.402 . . . . . . . 25 GLY N . 6521 2 51 . 1 1 21 21 GLU H H 1 7.761 . . . . . . . 26 GLU H . 6521 2 52 . 1 1 21 21 GLU CA C 13 55.91281 . . . . . . . 26 GLU CA . 6521 2 53 . 1 1 21 21 GLU N N 15 121.335 . . . . . . . 26 GLU N . 6521 2 54 . 1 1 22 22 TYR H H 1 7.763 . . . . . . . 27 TYR H . 6521 2 55 . 1 1 22 22 TYR CA C 13 57.32719 . . . . . . . 27 TYR CA . 6521 2 56 . 1 1 22 22 TYR N N 15 120.81 . . . . . . . 27 TYR N . 6521 2 57 . 1 1 23 23 PHE H H 1 9.082 . . . . . . . 28 PHE H . 6521 2 58 . 1 1 23 23 PHE CA C 13 56.5758 . . . . . . . 28 PHE CA . 6521 2 59 . 1 1 23 23 PHE N N 15 122.392 . . . . . . . 28 PHE N . 6521 2 60 . 1 1 24 24 THR H H 1 8.25 . . . . . . . 29 THR H . 6521 2 61 . 1 1 24 24 THR CA C 13 61.23967 . . . . . . . 29 THR CA . 6521 2 62 . 1 1 24 24 THR N N 15 115.81 . . . . . . . 29 THR N . 6521 2 63 . 1 1 25 25 LEU H H 1 8.739 . . . . . . . 30 LEU H . 6521 2 64 . 1 1 25 25 LEU CA C 13 53.39943 . . . . . . . 30 LEU CA . 6521 2 65 . 1 1 25 25 LEU N N 15 127.789 . . . . . . . 30 LEU N . 6521 2 66 . 1 1 26 26 GLN H H 1 8.464 . . . . . . . 31 GLN H . 6521 2 67 . 1 1 26 26 GLN CA C 13 55.26618 . . . . . . . 31 GLN CA . 6521 2 68 . 1 1 26 26 GLN N N 15 126.414 . . . . . . . 31 GLN N . 6521 2 69 . 1 1 27 27 ILE H H 1 9.232 . . . . . . . 32 ILE H . 6521 2 70 . 1 1 27 27 ILE CA C 13 59.56227 . . . . . . . 32 ILE CA . 6521 2 71 . 1 1 27 27 ILE N N 15 127.889 . . . . . . . 32 ILE N . 6521 2 72 . 1 1 28 28 ARG H H 1 9.461 . . . . . . . 33 ARG H . 6521 2 73 . 1 1 28 28 ARG CA C 13 55.45772 . . . . . . . 33 ARG CA . 6521 2 74 . 1 1 28 28 ARG N N 15 131.219 . . . . . . . 33 ARG N . 6521 2 75 . 1 1 29 29 GLY H H 1 8.529 . . . . . . . 34 GLY H . 6521 2 76 . 1 1 29 29 GLY CA C 13 44.62064 . . . . . . . 34 GLY CA . 6521 2 77 . 1 1 29 29 GLY N N 15 116.132 . . . . . . . 34 GLY N . 6521 2 78 . 1 1 30 30 ARG H H 1 8.684 . . . . . . . 35 ARG H . 6521 2 79 . 1 1 30 30 ARG CA C 13 59.56227 . . . . . . . 35 ARG CA . 6521 2 80 . 1 1 30 30 ARG N N 15 127.599 . . . . . . . 35 ARG N . 6521 2 81 . 1 1 31 31 GLU H H 1 8.597 . . . . . . . 36 GLU H . 6521 2 82 . 1 1 31 31 GLU CA C 13 59.75053 . . . . . . . 36 GLU CA . 6521 2 83 . 1 1 31 31 GLU N N 15 120.077 . . . . . . . 36 GLU N . 6521 2 84 . 1 1 32 32 ARG H H 1 8.241 . . . . . . . 37 ARG H . 6521 2 85 . 1 1 32 32 ARG CA C 13 59.553 . . . . . . . 37 ARG CA . 6521 2 86 . 1 1 32 32 ARG N N 15 121.207 . . . . . . . 37 ARG N . 6521 2 87 . 1 1 33 33 PHE H H 1 8.241 . . . . . . . 38 PHE H . 6521 2 88 . 1 1 33 33 PHE CA C 13 61.63393 . . . . . . . 38 PHE CA . 6521 2 89 . 1 1 33 33 PHE N N 15 121.207 . . . . . . . 38 PHE N . 6521 2 90 . 1 1 34 34 GLU H H 1 8.316 . . . . . . . 39 GLU H . 6521 2 91 . 1 1 34 34 GLU CA C 13 58.81743 . . . . . . . 39 GLU CA . 6521 2 92 . 1 1 34 34 GLU N N 15 119.391 . . . . . . . 39 GLU N . 6521 2 93 . 1 1 35 35 MET H H 1 7.465 . . . . . . . 40 MET H . 6521 2 94 . 1 1 35 35 MET CA C 13 58.4431 . . . . . . . 40 MET CA . 6521 2 95 . 1 1 35 35 MET N N 15 121.63 . . . . . . . 40 MET N . 6521 2 96 . 1 1 36 36 PHE H H 1 7.898 . . . . . . . 41 PHE H . 6521 2 97 . 1 1 36 36 PHE CA C 13 61.61128 . . . . . . . 41 PHE CA . 6521 2 98 . 1 1 36 36 PHE N N 15 118.973 . . . . . . . 41 PHE N . 6521 2 99 . 1 1 37 37 ARG H H 1 9.015 . . . . . . . 42 ARG H . 6521 2 100 . 1 1 37 37 ARG CA C 13 59.74916 . . . . . . . 42 ARG CA . 6521 2 101 . 1 1 37 37 ARG N N 15 122.421 . . . . . . . 42 ARG N . 6521 2 102 . 1 1 38 38 GLU H H 1 7.826 . . . . . . . 43 GLU H . 6521 2 103 . 1 1 38 38 GLU CA C 13 59.31126 . . . . . . . 43 GLU CA . 6521 2 104 . 1 1 38 38 GLU N N 15 124.138 . . . . . . . 43 GLU N . 6521 2 105 . 1 1 39 39 LEU H H 1 7.71 . . . . . . . 44 LEU H . 6521 2 106 . 1 1 39 39 LEU CA C 13 58.25593 . . . . . . . 44 LEU CA . 6521 2 107 . 1 1 39 39 LEU N N 15 120.139 . . . . . . . 44 LEU N . 6521 2 108 . 1 1 40 40 ASN H H 1 8.648 . . . . . . . 45 ASN H . 6521 2 109 . 1 1 40 40 ASN CA C 13 57.50727 . . . . . . . 45 ASN CA . 6521 2 110 . 1 1 40 40 ASN N N 15 118.782 . . . . . . . 45 ASN N . 6521 2 111 . 1 1 41 41 GLU H H 1 8.619 . . . . . . . 46 GLU H . 6521 2 112 . 1 1 41 41 GLU CA C 13 59.00023 . . . . . . . 46 GLU CA . 6521 2 113 . 1 1 41 41 GLU N N 15 118.911 . . . . . . . 46 GLU N . 6521 2 114 . 1 1 42 42 ALA H H 1 7.821 . . . . . . . 47 ALA H . 6521 2 115 . 1 1 42 42 ALA CA C 13 55.45717 . . . . . . . 47 ALA CA . 6521 2 116 . 1 1 42 42 ALA N N 15 123.244 . . . . . . . 47 ALA N . 6521 2 117 . 1 1 43 43 LEU H H 1 8.374 . . . . . . . 48 LEU H . 6521 2 118 . 1 1 43 43 LEU CA C 13 58.55933 . . . . . . . 48 LEU CA . 6521 2 119 . 1 1 43 43 LEU N N 15 122.261 . . . . . . . 48 LEU N . 6521 2 120 . 1 1 44 44 GLU H H 1 7.97 . . . . . . . 49 GLU H . 6521 2 121 . 1 1 44 44 GLU CA C 13 58.62126 . . . . . . . 49 GLU CA . 6521 2 122 . 1 1 44 44 GLU N N 15 124.354 . . . . . . . 49 GLU N . 6521 2 123 . 1 1 45 45 LEU H H 1 7.925 . . . . . . . 50 LEU H . 6521 2 124 . 1 1 45 45 LEU CA C 13 57.87887 . . . . . . . 50 LEU CA . 6521 2 125 . 1 1 45 45 LEU N N 15 124.591 . . . . . . . 50 LEU N . 6521 2 126 . 1 1 46 46 LYS H H 1 7.669 . . . . . . . 51 LYS H . 6521 2 127 . 1 1 46 46 LYS CA C 13 59.37594 . . . . . . . 51 LYS CA . 6521 2 128 . 1 1 46 46 LYS N N 15 122.423 . . . . . . . 51 LYS N . 6521 2 129 . 1 1 47 47 ASP H H 1 8.019 . . . . . . . 52 ASP H . 6521 2 130 . 1 1 47 47 ASP CA C 13 56.94304 . . . . . . . 52 ASP CA . 6521 2 131 . 1 1 47 47 ASP N N 15 121.25 . . . . . . . 52 ASP N . 6521 2 132 . 1 1 48 48 ALA H H 1 7.55 . . . . . . . 53 ALA H . 6521 2 133 . 1 1 48 48 ALA CA C 13 53.96693 . . . . . . . 53 ALA CA . 6521 2 134 . 1 1 48 48 ALA N N 15 122.597 . . . . . . . 53 ALA N . 6521 2 135 . 1 1 49 49 GLN H H 1 7.747 . . . . . . . 54 GLN H . 6521 2 136 . 1 1 49 49 GLN CA C 13 56.76515 . . . . . . . 54 GLN CA . 6521 2 137 . 1 1 49 49 GLN N N 15 118.492 . . . . . . . 54 GLN N . 6521 2 138 . 1 1 50 50 ALA H H 1 7.711 . . . . . . . 55 ALA H . 6521 2 139 . 1 1 50 50 ALA CA C 13 53.21745 . . . . . . . 55 ALA CA . 6521 2 140 . 1 1 50 50 ALA N N 15 123.831 . . . . . . . 55 ALA N . 6521 2 141 . 1 1 51 51 GLY H H 1 8.008 . . . . . . . 56 GLY H . 6521 2 142 . 1 1 51 51 GLY CA C 13 45.56602 . . . . . . . 56 GLY CA . 6521 2 143 . 1 1 51 51 GLY N N 15 108.585 . . . . . . . 56 GLY N . 6521 2 144 . 1 1 52 52 LYS H H 1 7.77 . . . . . . . 57 LYS H . 6521 2 145 . 1 1 52 52 LYS CA C 13 56.01921 . . . . . . . 57 LYS CA . 6521 2 146 . 1 1 52 52 LYS N N 15 121.798 . . . . . . . 57 LYS N . 6521 2 147 . 1 1 53 53 GLU H H 1 8.256 . . . . . . . 58 GLU H . 6521 2 148 . 1 1 53 53 GLU CA C 13 54.33881 . . . . . . . 58 GLU CA . 6521 2 149 . 1 1 53 53 GLU N N 15 126.149 . . . . . . . 58 GLU N . 6521 2 150 . 1 1 54 54 PRO CA C 13 63.48021 . . . . . . . 59 PRO CA . 6521 2 151 . 1 1 55 55 GLY H H 1 7.918 . . . . . . . 60 GLY H . 6521 2 152 . 1 1 55 55 GLY CA C 13 45.94007 . . . . . . . 60 GLY CA . 6521 2 153 . 1 1 55 55 GLY N N 15 115.481 . . . . . . . 60 GLY N . 6521 2 stop_ save_