data_2410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2410 _Entry.Title ; Sequence-specific 1H, 15N, and 13C assignment of the N-terminal domain of the human oncoprotein MDM2 that binds to p53 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-30 _Entry.Accession_date 2000-05-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Raphael Stoll . . . 2410 2 Christian Renner . . . 2410 3 Peter Muhlhahn . . . 2410 4 Silke Hansen . . . 2410 5 Ralf Schumacher . . . 2410 6 Friederike Hesse . . . 2410 7 Brigitte Kaluza . . . 2410 8 Richard Engh . A. . 2410 9 Wolfgang Voelter . . . 2410 10 Tad Holak . A. . 2410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 150 2410 '15N chemical shifts' 83 2410 '1H chemical shifts' 131 2410 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2410 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2410 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2410 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2410 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2410 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 15N, and 13C assignment of the N-terminal domain of the human oncoprotein MDM2 that binds to p53 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 92 _Citation.Year 2000 _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 Raphael Stoll . . . 2410 1 2 Christian Renner . . . 2410 1 3 Peter Muhlhahn . . . 2410 1 4 Silke Hansen . . . 2410 1 5 Ralf Schumacher . . . 2410 1 6 Friederike Hesse . . . 2410 1 7 Brigitte Kaluza . . . 2410 1 8 Richard Engh . A. . 2410 1 9 Wolfgang Voelter . . . 2410 1 10 Tad Holak . A. . 2410 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human MDM2' 2410 1 'NMR assignments' 2410 1 p53 2410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_MDM2 _Assembly.Sf_category assembly _Assembly.Sf_framecode MDM2 _Assembly.Entry_ID 2410 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of the human oncoprotein MDM2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 2410 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 'N-terminal domain of human MDM2' 1 $N-terminal_domain_of_human_MDM2 . . . native . . . . . 2410 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MDM2 abbreviation 2410 1 'N-terminal domain of the human oncoprotein MDM2' system 2410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_domain_of_human_MDM2 _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_domain_of_human_MDM2 _Entity.Entry_ID 2410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of the human murine double minute clone 2 protein' _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 ; MCNTNMSVPTDGAVTTSQIP ASEQETLVRPKPLLLKLLKS VGAQKDTYTMKEVLFYLGQY IMTKRLYDEKQQHIVYCSND LLGDLFGVPSFSVKEHRKIY TMIYRNLVVVNQQESSDSS ; _Entity.Polymer_seq_one_letter_code ; MCNTNMSVPTDGAVTTSQIP ASEQETLVRPKPLLLKLLKS VGAQKDTYTMKEVLFYLGQY IMTKRLYDEKQQHIVYCSND LLGDLFGVPSFSVKEHRKIY TMIYRNLVVVNQQESSDSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 11569 . MIP-MDM2 . . . . . 83.19 131 97.98 98.99 5.88e-64 . . . . 2410 1 2 no BMRB 18755 . entity_1 . . . . . 99.16 124 99.15 99.15 9.30e-78 . . . . 2410 1 3 no BMRB 18876 . entity_1 . . . . . 89.92 107 100.00 100.00 8.57e-72 . . . . 2410 1 4 no PDB 1RV1 . "Crystal Structure Of Human Mdm2 With An Imidazoline Inhibitor" . . . . . 71.43 85 98.82 98.82 5.07e-53 . . . . 2410 1 5 no PDB 1T4E . "Structure Of Human Mdm2 In Complex With A Benzodiazepine Inhibitor" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 6 no PDB 1T4F . "Structure Of Human Mdm2 In Complex With An Optimized P53 Peptide" . . . . . 86.55 110 99.03 99.03 2.64e-67 . . . . 2410 1 7 no PDB 1YCR . "Mdm2 Bound To The Transactivation Domain Of P53" . . . . . 85.71 109 100.00 100.00 1.83e-67 . . . . 2410 1 8 no PDB 1Z1M . "Nmr Structure Of Unliganded Mdm2" . . . . . 100.00 119 100.00 100.00 1.71e-81 . . . . 2410 1 9 no PDB 2AXI . "Hdm2 In Complex With A Beta-hairpin" . . . . . 85.71 115 100.00 100.00 1.69e-67 . . . . 2410 1 10 no PDB 2GV2 . "Mdm2 In Complex With An 8-Mer P53 Peptide Analogue" . . . . . 86.55 110 99.03 99.03 2.64e-67 . . . . 2410 1 11 no PDB 2LZG . "Nmr Structure Of Mdm2 (6-125) With Pip-1" . . . . . 99.16 125 100.00 100.00 7.80e-81 . . . . 2410 1 12 no PDB 2M86 . "Solution Structure Of Hdm2 With Engineered Cyclotide" . . . . . 85.71 129 100.00 100.00 1.67e-67 . . . . 2410 1 13 no PDB 2MPS . "Structure Of Complex Of Mdm2(3-109) And P73 Tad(10-25)" . . . . . 89.92 107 100.00 100.00 8.57e-72 . . . . 2410 1 14 no PDB 2RUH . "Chemical Shift Assignments For Mip And Mdm2 In Bound State" . . . . . 83.19 131 97.98 98.99 5.88e-64 . . . . 2410 1 15 no PDB 3EQS . "Crystal Structure Of Human Mdm2 In Complex With A 12-Mer Peptide Inhibitor" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 16 no PDB 3G03 . "Structure Of Human Mdm2 In Complex With High Affinity Peptide" . . . . . 85.71 109 99.02 99.02 9.16e-67 . . . . 2410 1 17 no PDB 3IUX . "Crystal Structure Of Human Mdm2 In Complex With A Potent Miniature Protein Inhibitor (18-Residues)" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 18 no PDB 3IWY . "Crystal Structure Of Human Mdm2 Complexed With D-peptide (12 Residues)" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 19 no PDB 3JZK . "Crystal Structure Of Mdm2 With Chromenotriazolopyrimidine 1" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 20 no PDB 3JZR . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdi6w)" . . . . . 86.55 110 99.03 99.03 2.64e-67 . . . . 2410 1 21 no PDB 3JZS . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdiq)" . . . . . 72.27 86 100.00 100.00 6.15e-55 . . . . 2410 1 22 no PDB 3LBK . "Structure Of Human Mdm2 Protein In Complex With A Small Molecule Inhibitor" . . . . . 78.99 95 98.94 98.94 2.34e-60 . . . . 2410 1 23 no PDB 3LBL . "Structure Of Human Mdm2 Protein In Complex With Mi-63-Analog" . . . . . 78.99 95 100.00 100.00 2.18e-61 . . . . 2410 1 24 no PDB 3LNJ . "Crystal Structure Of Human Mdm2 In Complex With D-Peptide Inhibitor (Dpmi-Alpha)" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 25 no PDB 3LNZ . "Crystal Structure Of Human Mdm2 With A 12-Mer Peptide Inhibitor Pmi (N8a Mutant)" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 26 no PDB 3TJ2 . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 78.99 95 100.00 100.00 2.18e-61 . . . . 2410 1 27 no PDB 3TPX . "Crystal Structure Of Human Mdm2 In Complex With A Trifluoromethylated D-peptide Inhibitor" . . . . . 71.43 85 100.00 100.00 4.88e-54 . . . . 2410 1 28 no PDB 3TU1 . "Exhaustive Fluorine Scanning Towards Potent P53-Mdm2 Antagonist" . . . . . 85.71 108 99.02 99.02 8.79e-67 . . . . 2410 1 29 no PDB 3V3B . "Structure Of The Stapled P53 Peptide Bound To Mdm2" . . . . . 73.11 88 100.00 100.00 1.65e-55 . . . . 2410 1 30 no PDB 3VBG . "Structure Of Hdm2 With Dimer Inducing Indolyl Hydantoin Ro-2443" . . . . . 71.43 85 98.82 98.82 5.07e-53 . . . . 2410 1 31 no PDB 3VZV . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 71.43 87 98.82 98.82 5.03e-53 . . . . 2410 1 32 no PDB 3W69 . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 71.43 87 98.82 98.82 5.03e-53 . . . . 2410 1 33 no PDB 4DIJ . "The Central Valine Concept Provides An Entry In A New Class Of Non Peptide Inhibitors Of The P53-Mdm2 Interaction" . . . . . 79.83 96 98.95 98.95 7.37e-61 . . . . 2410 1 34 no PDB 4ERE . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 23" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 35 no PDB 4ERF . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 29 (Am- 8553)" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 36 no PDB 4HBM . "Ordering Of The N Terminus Of Human Mdm2 By Small Molecule Inhibitors" . . . . . 94.96 120 100.00 100.00 3.35e-76 . . . . 2410 1 37 no PDB 4HFZ . "Crystal Structure Of An Mdm2/p53 Peptide Complex" . . . . . 85.71 109 98.04 98.04 5.91e-66 . . . . 2410 1 38 no PDB 4JV7 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-bromophenyl)-4-methylmorpholin-3-one" . . . . . 78.99 96 100.00 100.00 2.59e-61 . . . . 2410 1 39 no PDB 4JV9 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-chlorophenyl)-4-methylmorpholin-3-one" . . . . . 78.99 96 100.00 100.00 2.59e-61 . . . . 2410 1 40 no PDB 4JVE . "Co-crystal Structure Of Mdm2 With Inhibitor (2r,3e)-2-[(2s,3r,6s)-2,3- Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-" . . . . . 78.99 96 100.00 100.00 2.59e-61 . . . . 2410 1 41 no PDB 4JVR . "Co-crystal Structure Of Mdm2 With Inhibitor (2's,3r,4's,5'r)-n-(2- Aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2- D" . . . . . 78.99 96 100.00 100.00 2.59e-61 . . . . 2410 1 42 no PDB 4JWR . "Co-crystal Structure Of Mdm2 With Inhibitor {(2s,5r,6s)-6-(3- Chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3- " . . . . . 79.83 95 100.00 100.00 5.58e-62 . . . . 2410 1 43 no PDB 4MDN . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 78.15 94 100.00 100.00 2.04e-60 . . . . 2410 1 44 no PDB 4MDQ . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 72.27 86 100.00 100.00 1.05e-54 . . . . 2410 1 45 no PDB 4OAS . "Co-crystal Structure Of Mdm2 (17-111) In Complex With Compound 25" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 46 no PDB 4OBA . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 47 no PDB 4OCC . "Co-crystal Structure Of Mdm2(17-111) In Complex With Compound 48" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 48 no PDB 4ODE . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 88.24 105 100.00 100.00 8.31e-70 . . . . 2410 1 49 no PDB 4ODF . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 47" . . . . . 88.24 105 100.00 100.00 8.31e-70 . . . . 2410 1 50 no PDB 4OGN . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 3" . . . . . 88.24 105 100.00 100.00 8.31e-70 . . . . 2410 1 51 no PDB 4OGT . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 46" . . . . . 88.24 105 100.00 100.00 8.31e-70 . . . . 2410 1 52 no PDB 4OGV . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 49" . . . . . 79.83 95 100.00 100.00 5.58e-62 . . . . 2410 1 53 no PDB 4OQ3 . "Tetra-substituted Imidazoles As A New Class Of Inhibitors Of The P53- Mdm2 Interaction" . . . . . 79.83 96 98.95 98.95 7.37e-61 . . . . 2410 1 54 no PDB 4QO4 . "Co-crystal Structure Of Mdm2 (17-111) With Compound 16, {(3r,5r,6s)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopr" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 55 no PDB 4QOC . "Crystal Structure Of Compound 16 Bound To Mdm2(17-111), {(3r,5r,6s)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropy" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 56 no PDB 4UMN . "Structure Of A Stapled Peptide Antagonist Bound To Nutlin- Resistant Mdm2" . . . . . 94.96 120 99.12 99.12 2.81e-75 . . . . 2410 1 57 no PDB 4WT2 . "Co-crystal Structure Of Mdm2 In Complex With Am-7209" . . . . . 88.24 105 100.00 100.00 8.31e-70 . . . . 2410 1 58 no PDB 4ZYC . "Discovery Of Dihydroisoquinolinone Derivatives As Novel Inhibitors Of The P53-mdm2 Interaction With A Distinct Binding Mode: Hd" . . . . . 79.83 96 98.95 98.95 7.37e-61 . . . . 2410 1 59 no PDB 4ZYF . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 60 no PDB 4ZYI . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 79.83 96 100.00 100.00 6.28e-62 . . . . 2410 1 61 no DBJ BAF83030 . "unnamed protein product [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 3.65e-77 . . . . 2410 1 62 no DBJ BAJ17752 . "Mdm2 p53 binding protein homolog [synthetic construct]" . . . . . 99.16 497 100.00 100.00 3.92e-77 . . . . 2410 1 63 no EMBL CAA78055 . "p53 associated [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 3.65e-77 . . . . 2410 1 64 no EMBL CAD23251 . "MDM2 isoform KB9 [Homo sapiens]" . . . . . 99.16 243 100.00 100.00 3.02e-79 . . . . 2410 1 65 no EMBL CAD36959 . "p53-binding protein [Homo sapiens]" . . . . . 100.00 166 99.16 99.16 4.54e-80 . . . . 2410 1 66 no EMBL CAD79457 . "HDM2-HD3 protein [Homo sapiens]" . . . . . 51.26 69 100.00 100.00 8.92e-35 . . . . 2410 1 67 no EMBL CAH89564 . "hypothetical protein [Pongo abelii]" . . . . . 99.16 497 100.00 100.00 4.09e-77 . . . . 2410 1 68 no GB AAA60568 . "p53 associated [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 3.65e-77 . . . . 2410 1 69 no GB AAI48523 . "Mdm2 p53 binding protein homolog (mouse), partial [synthetic construct]" . . . . . 99.16 497 100.00 100.00 3.92e-77 . . . . 2410 1 70 no GB AAI52385 . "MDM2 protein, partial [Homo sapiens]" . . . . . 99.16 490 100.00 100.00 3.38e-77 . . . . 2410 1 71 no GB AAI52391 . "MDM2 protein, partial [Homo sapiens]" . . . . . 99.16 490 100.00 100.00 3.38e-77 . . . . 2410 1 72 no GB AAI53118 . "Mdm2 p53 binding protein homolog (mouse) [synthetic construct]" . . . . . 99.16 497 100.00 100.00 3.92e-77 . . . . 2410 1 73 no PRF 1814460A . "p53-associated protein" . . . . . 99.16 491 100.00 100.00 3.65e-77 . . . . 2410 1 74 no REF NP_001124685 . "E3 ubiquitin-protein ligase Mdm2 [Pongo abelii]" . . . . . 99.16 497 100.00 100.00 4.09e-77 . . . . 2410 1 75 no REF NP_001138809 . "E3 ubiquitin-protein ligase Mdm2 isoform g [Homo sapiens]" . . . . . 99.16 444 100.00 100.00 1.55e-77 . . . . 2410 1 76 no REF NP_001138811 . "E3 ubiquitin-protein ligase Mdm2 isoform h [Homo sapiens]" . . . . . 95.80 442 100.00 100.00 6.24e-75 . . . . 2410 1 77 no REF NP_001253331 . "E3 ubiquitin-protein ligase Mdm2 [Macaca mulatta]" . . . . . 99.16 497 100.00 100.00 3.52e-77 . . . . 2410 1 78 no REF NP_002383 . "E3 ubiquitin-protein ligase Mdm2 isoform a [Homo sapiens]" . . . . . 99.16 497 100.00 100.00 3.92e-77 . . . . 2410 1 79 no SP Q00987 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Hdm2; AltName: Full=Oncoprotein Md" . . . . . 99.16 491 100.00 100.00 3.65e-77 . . . . 2410 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal domain of human MDM2' abbreviation 2410 1 'N-terminal domain of the human murine double minute clone 2 protein' common 2410 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 . MET . 2410 1 2 . CYS . 2410 1 3 . ASN . 2410 1 4 . THR . 2410 1 5 . ASN . 2410 1 6 . MET . 2410 1 7 . SER . 2410 1 8 . VAL . 2410 1 9 . PRO . 2410 1 10 . THR . 2410 1 11 . ASP . 2410 1 12 . GLY . 2410 1 13 . ALA . 2410 1 14 . VAL . 2410 1 15 . THR . 2410 1 16 . THR . 2410 1 17 . SER . 2410 1 18 . GLN . 2410 1 19 . ILE . 2410 1 20 . PRO . 2410 1 21 . ALA . 2410 1 22 . SER . 2410 1 23 . GLU . 2410 1 24 . GLN . 2410 1 25 . GLU . 2410 1 26 . THR . 2410 1 27 . LEU . 2410 1 28 . VAL . 2410 1 29 . ARG . 2410 1 30 . PRO . 2410 1 31 . LYS . 2410 1 32 . PRO . 2410 1 33 . LEU . 2410 1 34 . LEU . 2410 1 35 . LEU . 2410 1 36 . LYS . 2410 1 37 . LEU . 2410 1 38 . LEU . 2410 1 39 . LYS . 2410 1 40 . SER . 2410 1 41 . VAL . 2410 1 42 . GLY . 2410 1 43 . ALA . 2410 1 44 . GLN . 2410 1 45 . LYS . 2410 1 46 . ASP . 2410 1 47 . THR . 2410 1 48 . TYR . 2410 1 49 . THR . 2410 1 50 . MET . 2410 1 51 . LYS . 2410 1 52 . GLU . 2410 1 53 . VAL . 2410 1 54 . LEU . 2410 1 55 . PHE . 2410 1 56 . TYR . 2410 1 57 . LEU . 2410 1 58 . GLY . 2410 1 59 . GLN . 2410 1 60 . TYR . 2410 1 61 . ILE . 2410 1 62 . MET . 2410 1 63 . THR . 2410 1 64 . LYS . 2410 1 65 . ARG . 2410 1 66 . LEU . 2410 1 67 . TYR . 2410 1 68 . ASP . 2410 1 69 . GLU . 2410 1 70 . LYS . 2410 1 71 . GLN . 2410 1 72 . GLN . 2410 1 73 . HIS . 2410 1 74 . ILE . 2410 1 75 . VAL . 2410 1 76 . TYR . 2410 1 77 . CYS . 2410 1 78 . SER . 2410 1 79 . ASN . 2410 1 80 . ASP . 2410 1 81 . LEU . 2410 1 82 . LEU . 2410 1 83 . GLY . 2410 1 84 . ASP . 2410 1 85 . LEU . 2410 1 86 . PHE . 2410 1 87 . GLY . 2410 1 88 . VAL . 2410 1 89 . PRO . 2410 1 90 . SER . 2410 1 91 . PHE . 2410 1 92 . SER . 2410 1 93 . VAL . 2410 1 94 . LYS . 2410 1 95 . GLU . 2410 1 96 . HIS . 2410 1 97 . ARG . 2410 1 98 . LYS . 2410 1 99 . ILE . 2410 1 100 . TYR . 2410 1 101 . THR . 2410 1 102 . MET . 2410 1 103 . ILE . 2410 1 104 . TYR . 2410 1 105 . ARG . 2410 1 106 . ASN . 2410 1 107 . LEU . 2410 1 108 . VAL . 2410 1 109 . VAL . 2410 1 110 . VAL . 2410 1 111 . ASN . 2410 1 112 . GLN . 2410 1 113 . GLN . 2410 1 114 . GLU . 2410 1 115 . SER . 2410 1 116 . SER . 2410 1 117 . ASP . 2410 1 118 . SER . 2410 1 119 . SER . 2410 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 . MET 1 1 2410 1 . CYS 2 2 2410 1 . ASN 3 3 2410 1 . THR 4 4 2410 1 . ASN 5 5 2410 1 . MET 6 6 2410 1 . SER 7 7 2410 1 . VAL 8 8 2410 1 . PRO 9 9 2410 1 . THR 10 10 2410 1 . ASP 11 11 2410 1 . GLY 12 12 2410 1 . ALA 13 13 2410 1 . VAL 14 14 2410 1 . THR 15 15 2410 1 . THR 16 16 2410 1 . SER 17 17 2410 1 . GLN 18 18 2410 1 . ILE 19 19 2410 1 . PRO 20 20 2410 1 . ALA 21 21 2410 1 . SER 22 22 2410 1 . GLU 23 23 2410 1 . GLN 24 24 2410 1 . GLU 25 25 2410 1 . THR 26 26 2410 1 . LEU 27 27 2410 1 . VAL 28 28 2410 1 . ARG 29 29 2410 1 . PRO 30 30 2410 1 . LYS 31 31 2410 1 . PRO 32 32 2410 1 . LEU 33 33 2410 1 . LEU 34 34 2410 1 . LEU 35 35 2410 1 . LYS 36 36 2410 1 . LEU 37 37 2410 1 . LEU 38 38 2410 1 . LYS 39 39 2410 1 . SER 40 40 2410 1 . VAL 41 41 2410 1 . GLY 42 42 2410 1 . ALA 43 43 2410 1 . GLN 44 44 2410 1 . LYS 45 45 2410 1 . ASP 46 46 2410 1 . THR 47 47 2410 1 . TYR 48 48 2410 1 . THR 49 49 2410 1 . MET 50 50 2410 1 . LYS 51 51 2410 1 . GLU 52 52 2410 1 . VAL 53 53 2410 1 . LEU 54 54 2410 1 . PHE 55 55 2410 1 . TYR 56 56 2410 1 . LEU 57 57 2410 1 . GLY 58 58 2410 1 . GLN 59 59 2410 1 . TYR 60 60 2410 1 . ILE 61 61 2410 1 . MET 62 62 2410 1 . THR 63 63 2410 1 . LYS 64 64 2410 1 . ARG 65 65 2410 1 . LEU 66 66 2410 1 . TYR 67 67 2410 1 . ASP 68 68 2410 1 . GLU 69 69 2410 1 . LYS 70 70 2410 1 . GLN 71 71 2410 1 . GLN 72 72 2410 1 . HIS 73 73 2410 1 . ILE 74 74 2410 1 . VAL 75 75 2410 1 . TYR 76 76 2410 1 . CYS 77 77 2410 1 . SER 78 78 2410 1 . ASN 79 79 2410 1 . ASP 80 80 2410 1 . LEU 81 81 2410 1 . LEU 82 82 2410 1 . GLY 83 83 2410 1 . ASP 84 84 2410 1 . LEU 85 85 2410 1 . PHE 86 86 2410 1 . GLY 87 87 2410 1 . VAL 88 88 2410 1 . PRO 89 89 2410 1 . SER 90 90 2410 1 . PHE 91 91 2410 1 . SER 92 92 2410 1 . VAL 93 93 2410 1 . LYS 94 94 2410 1 . GLU 95 95 2410 1 . HIS 96 96 2410 1 . ARG 97 97 2410 1 . LYS 98 98 2410 1 . ILE 99 99 2410 1 . TYR 100 100 2410 1 . THR 101 101 2410 1 . MET 102 102 2410 1 . ILE 103 103 2410 1 . TYR 104 104 2410 1 . ARG 105 105 2410 1 . ASN 106 106 2410 1 . LEU 107 107 2410 1 . VAL 108 108 2410 1 . VAL 109 109 2410 1 . VAL 110 110 2410 1 . ASN 111 111 2410 1 . GLN 112 112 2410 1 . GLN 113 113 2410 1 . GLU 114 114 2410 1 . SER 115 115 2410 1 . SER 116 116 2410 1 . ASP 117 117 2410 1 . SER 118 118 2410 1 . SER 119 119 2410 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 2410 _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 $N-terminal_domain_of_human_MDM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 2410 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 2410 _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 $N-terminal_domain_of_human_MDM2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 2410 _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 'N-terminal domain of the human murine double minute clone 2 protein' [U-15N] . . 1 $N-terminal_domain_of_human_MDM2 . . . 0.1 0.5 mM . . . . 2410 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 2410 _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 'N-terminal domain of the human murine double minute clone 2 protein' '[U-15N; U-13C]' . . 1 $N-terminal_domain_of_human_MDM2 . . . 0.1 0.5 mM . . . . 2410 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 2410 _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 7.4 0.2 n/a 2410 1 temperature 300 1 K 2410 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 2410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 2410 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 2410 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 2410 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 2410 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AMX . 500 . . . 2410 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 2410 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 2410 1 4 NMR_spectrometer_4 Bruker DMX . 750 . . . 2410 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 2410 _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 . . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 2410 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 2410 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 2410 1 H 1 H2O protons . . . . ppm 4.73 internal direct . internal . . 1 $entry_citation . . 1 $entry_citation 2410 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 2410 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 2410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 2410 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 7 7 SER CA C 13 56.64 0.05 . 1 . . . . . . . . 2410 1 2 . 1 1 7 7 SER CB C 13 61.87 0.05 . 1 . . . . . . . . 2410 1 3 . 1 1 8 8 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 2410 1 4 . 1 1 8 8 VAL HA H 1 4.42 0.02 . 1 . . . . . . . . 2410 1 5 . 1 1 8 8 VAL CA C 13 58.09 0.05 . 1 . . . . . . . . 2410 1 6 . 1 1 8 8 VAL N N 15 124.63 0.05 . 1 . . . . . . . . 2410 1 7 . 1 1 9 9 PRO CA C 13 61.56 0.05 . 1 . . . . . . . . 2410 1 8 . 1 1 9 9 PRO CB C 13 30.29 0.05 . 1 . . . . . . . . 2410 1 9 . 1 1 10 10 THR H H 1 8.17 0.02 . 1 . . . . . . . . 2410 1 10 . 1 1 10 10 THR CA C 13 60.22 0.05 . 1 . . . . . . . . 2410 1 11 . 1 1 10 10 THR CB C 13 67.85 0.05 . 1 . . . . . . . . 2410 1 12 . 1 1 10 10 THR N N 15 116.30 0.05 . 1 . . . . . . . . 2410 1 13 . 1 1 11 11 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 2410 1 14 . 1 1 11 11 ASP CA C 13 52.78 0.05 . 1 . . . . . . . . 2410 1 15 . 1 1 11 11 ASP CB C 13 39.32 0.05 . 1 . . . . . . . . 2410 1 16 . 1 1 11 11 ASP N N 15 124.24 0.05 . 1 . . . . . . . . 2410 1 17 . 1 1 12 12 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 2410 1 18 . 1 1 12 12 GLY CA C 13 43.84 0.05 . 1 . . . . . . . . 2410 1 19 . 1 1 12 12 GLY N N 15 110.94 0.05 . 1 . . . . . . . . 2410 1 20 . 1 1 13 13 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 2410 1 21 . 1 1 13 13 ALA CA C 13 50.89 0.05 . 1 . . . . . . . . 2410 1 22 . 1 1 13 13 ALA CB C 13 17.38 0.05 . 1 . . . . . . . . 2410 1 23 . 1 1 13 13 ALA N N 15 125.20 0.05 . 1 . . . . . . . . 2410 1 24 . 1 1 14 14 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 2410 1 25 . 1 1 14 14 VAL CA C 13 60.61 0.05 . 1 . . . . . . . . 2410 1 26 . 1 1 14 14 VAL CB C 13 29.26 0.05 . 1 . . . . . . . . 2410 1 27 . 1 1 14 14 VAL N N 15 120.79 0.05 . 1 . . . . . . . . 2410 1 28 . 1 1 15 15 THR H H 1 8.22 0.02 . 1 . . . . . . . . 2410 1 29 . 1 1 15 15 THR CA C 13 57.08 0.05 . 1 . . . . . . . . 2410 1 30 . 1 1 15 15 THR N N 15 119.39 0.05 . 1 . . . . . . . . 2410 1 31 . 1 1 21 21 ALA CB C 13 16.58 0.05 . 1 . . . . . . . . 2410 1 32 . 1 1 22 22 SER H H 1 8.44 0.02 . 1 . . . . . . . . 2410 1 33 . 1 1 22 22 SER CA C 13 58.49 0.05 . 1 . . . . . . . . 2410 1 34 . 1 1 22 22 SER N N 15 113.40 0.05 . 1 . . . . . . . . 2410 1 35 . 1 1 25 25 GLU CA C 13 53.99 0.05 . 1 . . . . . . . . 2410 1 36 . 1 1 25 25 GLU CB C 13 27.91 0.05 . 1 . . . . . . . . 2410 1 37 . 1 1 26 26 THR H H 1 7.56 0.02 . 1 . . . . . . . . 2410 1 38 . 1 1 26 26 THR HA H 1 4.41 0.02 . 1 . . . . . . . . 2410 1 39 . 1 1 26 26 THR CA C 13 62.88 0.05 . 1 . . . . . . . . 2410 1 40 . 1 1 26 26 THR CB C 13 68.36 0.05 . 1 . . . . . . . . 2410 1 41 . 1 1 26 26 THR N N 15 119.46 0.05 . 1 . . . . . . . . 2410 1 42 . 1 1 27 27 LEU H H 1 8.46 0.02 . 1 . . . . . . . . 2410 1 43 . 1 1 27 27 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 2410 1 44 . 1 1 27 27 LEU CA C 13 52.9 0.05 . 1 . . . . . . . . 2410 1 45 . 1 1 27 27 LEU CB C 13 41.19 0.05 . 1 . . . . . . . . 2410 1 46 . 1 1 27 27 LEU N N 15 130.06 0.05 . 1 . . . . . . . . 2410 1 47 . 1 1 28 28 VAL H H 1 9.70 0.02 . 1 . . . . . . . . 2410 1 48 . 1 1 28 28 VAL HA H 1 4.84 0.02 . 1 . . . . . . . . 2410 1 49 . 1 1 28 28 VAL CA C 13 57.37 0.05 . 1 . . . . . . . . 2410 1 50 . 1 1 28 28 VAL N N 15 118.32 0.05 . 1 . . . . . . . . 2410 1 51 . 1 1 29 29 ARG H H 1 9.20 0.02 . 1 . . . . . . . . 2410 1 52 . 1 1 29 29 ARG HA H 1 5.09 0.02 . 1 . . . . . . . . 2410 1 53 . 1 1 29 29 ARG CA C 13 50.74 0.05 . 1 . . . . . . . . 2410 1 54 . 1 1 29 29 ARG N N 15 123.69 0.05 . 1 . . . . . . . . 2410 1 55 . 1 1 33 33 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 2410 1 56 . 1 1 33 33 LEU CA C 13 56.65 0.05 . 1 . . . . . . . . 2410 1 57 . 1 1 33 33 LEU CB C 13 39.53 0.05 . 1 . . . . . . . . 2410 1 58 . 1 1 33 33 LEU N N 15 120.36 0.05 . 1 . . . . . . . . 2410 1 59 . 1 1 34 34 LEU H H 1 7.38 0.02 . 1 . . . . . . . . 2410 1 60 . 1 1 34 34 LEU CA C 13 55.00 0.05 . 1 . . . . . . . . 2410 1 61 . 1 1 34 34 LEU CB C 13 38.78 0.05 . 1 . . . . . . . . 2410 1 62 . 1 1 34 34 LEU N N 15 120.13 0.05 . 1 . . . . . . . . 2410 1 63 . 1 1 35 35 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 2410 1 64 . 1 1 35 35 LEU CA C 13 56.44 0.05 . 1 . . . . . . . . 2410 1 65 . 1 1 35 35 LEU N N 15 122.29 0.05 . 1 . . . . . . . . 2410 1 66 . 1 1 36 36 LYS CB C 13 30.28 0.05 . 1 . . . . . . . . 2410 1 67 . 1 1 37 37 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 2410 1 68 . 1 1 37 37 LEU HA H 1 3.68 0.02 . 1 . . . . . . . . 2410 1 69 . 1 1 37 37 LEU CB C 13 39.21 0.05 . 1 . . . . . . . . 2410 1 70 . 1 1 37 37 LEU N N 15 123.00 0.05 . 1 . . . . . . . . 2410 1 71 . 1 1 38 38 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 2410 1 72 . 1 1 38 38 LEU CA C 13 56.24 0.05 . 1 . . . . . . . . 2410 1 73 . 1 1 38 38 LEU CB C 13 37.81 0.05 . 1 . . . . . . . . 2410 1 74 . 1 1 38 38 LEU N N 15 122.23 0.05 . 1 . . . . . . . . 2410 1 75 . 1 1 39 39 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 2410 1 76 . 1 1 39 39 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 2410 1 77 . 1 1 39 39 LYS CA C 13 57.61 0.05 . 1 . . . . . . . . 2410 1 78 . 1 1 39 39 LYS CB C 13 30.21 0.05 . 1 . . . . . . . . 2410 1 79 . 1 1 39 39 LYS N N 15 120.16 0.05 . 1 . . . . . . . . 2410 1 80 . 1 1 40 40 SER H H 1 7.86 0.02 . 1 . . . . . . . . 2410 1 81 . 1 1 40 40 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 2410 1 82 . 1 1 40 40 SER CA C 13 60.04 0.05 . 1 . . . . . . . . 2410 1 83 . 1 1 40 40 SER CB C 13 61.48 0.05 . 1 . . . . . . . . 2410 1 84 . 1 1 40 40 SER N N 15 118.50 0.05 . 1 . . . . . . . . 2410 1 85 . 1 1 41 41 VAL H H 1 7.26 0.02 . 1 . . . . . . . . 2410 1 86 . 1 1 41 41 VAL HA H 1 4.76 0.02 . 1 . . . . . . . . 2410 1 87 . 1 1 41 41 VAL CA C 13 58.76 0.05 . 1 . . . . . . . . 2410 1 88 . 1 1 41 41 VAL CB C 13 28.79 0.05 . 1 . . . . . . . . 2410 1 89 . 1 1 41 41 VAL N N 15 114.35 0.05 . 1 . . . . . . . . 2410 1 90 . 1 1 42 42 GLY H H 1 7.50 0.02 . 1 . . . . . . . . 2410 1 91 . 1 1 42 42 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 2410 1 92 . 1 1 42 42 GLY N N 15 107.97 0.05 . 1 . . . . . . . . 2410 1 93 . 1 1 43 43 ALA H H 1 7.36 0.02 . 1 . . . . . . . . 2410 1 94 . 1 1 43 43 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 2410 1 95 . 1 1 43 43 ALA CA C 13 51.50 0.05 . 1 . . . . . . . . 2410 1 96 . 1 1 43 43 ALA CB C 13 16.42 0.05 . 1 . . . . . . . . 2410 1 97 . 1 1 43 43 ALA N N 15 126.95 0.05 . 1 . . . . . . . . 2410 1 98 . 1 1 44 44 GLN H H 1 8.69 0.02 . 1 . . . . . . . . 2410 1 99 . 1 1 44 44 GLN CA C 13 54.07 0.05 . 1 . . . . . . . . 2410 1 100 . 1 1 44 44 GLN CB C 13 27.46 0.05 . 1 . . . . . . . . 2410 1 101 . 1 1 44 44 GLN N N 15 120.22 0.05 . 1 . . . . . . . . 2410 1 102 . 1 1 45 45 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 2410 1 103 . 1 1 45 45 LYS CA C 13 58.66 0.05 . 1 . . . . . . . . 2410 1 104 . 1 1 45 45 LYS N N 15 118.13 0.05 . 1 . . . . . . . . 2410 1 105 . 1 1 46 46 ASP CA C 13 53.44 0.05 . 1 . . . . . . . . 2410 1 106 . 1 1 46 46 ASP CB C 13 40.33 0.05 . 1 . . . . . . . . 2410 1 107 . 1 1 47 47 THR H H 1 6.99 0.02 . 1 . . . . . . . . 2410 1 108 . 1 1 47 47 THR HA H 1 4.96 0.02 . 1 . . . . . . . . 2410 1 109 . 1 1 47 47 THR CA C 13 58.80 0.05 . 1 . . . . . . . . 2410 1 110 . 1 1 47 47 THR CB C 13 69.69 0.05 . 1 . . . . . . . . 2410 1 111 . 1 1 47 47 THR N N 15 112.77 0.05 . 1 . . . . . . . . 2410 1 112 . 1 1 48 48 TYR H H 1 8.73 0.02 . 1 . . . . . . . . 2410 1 113 . 1 1 48 48 TYR CA C 13 55.513 0.05 . 1 . . . . . . . . 2410 1 114 . 1 1 48 48 TYR CB C 13 43.51 0.05 . 1 . . . . . . . . 2410 1 115 . 1 1 48 48 TYR N N 15 121.87 0.05 . 1 . . . . . . . . 2410 1 116 . 1 1 49 49 THR H H 1 8.95 0.02 . 1 . . . . . . . . 2410 1 117 . 1 1 49 49 THR HA H 1 4.85 0.02 . 1 . . . . . . . . 2410 1 118 . 1 1 49 49 THR CA C 13 59.27 0.05 . 1 . . . . . . . . 2410 1 119 . 1 1 49 49 THR N N 15 112.35 0.05 . 1 . . . . . . . . 2410 1 120 . 1 1 50 50 MET H H 1 8.35 0.02 . 1 . . . . . . . . 2410 1 121 . 1 1 50 50 MET CA C 13 55.79 0.05 . 1 . . . . . . . . 2410 1 122 . 1 1 50 50 MET CB C 13 28.49 0.05 . 1 . . . . . . . . 2410 1 123 . 1 1 50 50 MET N N 15 123.58 0.05 . 1 . . . . . . . . 2410 1 124 . 1 1 51 51 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 2410 1 125 . 1 1 51 51 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 2410 1 126 . 1 1 51 51 LYS CA C 13 58.28 0.05 . 1 . . . . . . . . 2410 1 127 . 1 1 51 51 LYS CB C 13 32.56 0.05 . 1 . . . . . . . . 2410 1 128 . 1 1 51 51 LYS N N 15 119.49 0.05 . 1 . . . . . . . . 2410 1 129 . 1 1 52 52 GLU H H 1 7.87 0.02 . 1 . . . . . . . . 2410 1 130 . 1 1 52 52 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 2410 1 131 . 1 1 52 52 GLU CA C 13 57.76 0.05 . 1 . . . . . . . . 2410 1 132 . 1 1 52 52 GLU CB C 13 29.53 0.05 . 1 . . . . . . . . 2410 1 133 . 1 1 52 52 GLU N N 15 122.09 0.05 . 1 . . . . . . . . 2410 1 134 . 1 1 53 53 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 2410 1 135 . 1 1 53 53 VAL CA C 13 66.27 0.05 . 1 . . . . . . . . 2410 1 136 . 1 1 53 53 VAL N N 15 121.45 0.05 . 1 . . . . . . . . 2410 1 137 . 1 1 54 54 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 2410 1 138 . 1 1 54 54 LEU CA C 13 56.33 0.05 . 1 . . . . . . . . 2410 1 139 . 1 1 54 54 LEU CB C 13 38.89 0.05 . 1 . . . . . . . . 2410 1 140 . 1 1 54 54 LEU N N 15 120.44 0.05 . 1 . . . . . . . . 2410 1 141 . 1 1 55 55 PHE H H 1 8.08 0.02 . 1 . . . . . . . . 2410 1 142 . 1 1 55 55 PHE HA H 1 4.17 0.02 . 1 . . . . . . . . 2410 1 143 . 1 1 55 55 PHE CA C 13 59.70 0.05 . 1 . . . . . . . . 2410 1 144 . 1 1 55 55 PHE CB C 13 36.51 0.05 . 1 . . . . . . . . 2410 1 145 . 1 1 55 55 PHE N N 15 123.77 0.05 . 1 . . . . . . . . 2410 1 146 . 1 1 56 56 TYR H H 1 8.55 0.02 . 1 . . . . . . . . 2410 1 147 . 1 1 56 56 TYR HA H 1 4.04 0.02 . 1 . . . . . . . . 2410 1 148 . 1 1 56 56 TYR CA C 13 61.19 0.05 . 1 . . . . . . . . 2410 1 149 . 1 1 56 56 TYR CB C 13 36.78 0.05 . 1 . . . . . . . . 2410 1 150 . 1 1 56 56 TYR N N 15 121.86 0.05 . 1 . . . . . . . . 2410 1 151 . 1 1 57 57 LEU H H 1 8.82 0.02 . 1 . . . . . . . . 2410 1 152 . 1 1 57 57 LEU CA C 13 56.64 0.05 . 1 . . . . . . . . 2410 1 153 . 1 1 57 57 LEU CB C 13 39.87 0.05 . 1 . . . . . . . . 2410 1 154 . 1 1 57 57 LEU N N 15 123.03 0.05 . 1 . . . . . . . . 2410 1 155 . 1 1 58 58 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 2410 1 156 . 1 1 58 58 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 2410 1 157 . 1 1 58 58 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 2410 1 158 . 1 1 58 58 GLY CA C 13 45.85 0.05 . 1 . . . . . . . . 2410 1 159 . 1 1 58 58 GLY N N 15 107.86 0.05 . 1 . . . . . . . . 2410 1 160 . 1 1 59 59 GLN H H 1 7.76 0.02 . 1 . . . . . . . . 2410 1 161 . 1 1 59 59 GLN HA H 1 3.95 0.02 . 1 . . . . . . . . 2410 1 162 . 1 1 59 59 GLN CA C 13 56.67 0.05 . 1 . . . . . . . . 2410 1 163 . 1 1 59 59 GLN CB C 13 26.43 0.05 . 1 . . . . . . . . 2410 1 164 . 1 1 59 59 GLN N N 15 122.36 0.05 . 1 . . . . . . . . 2410 1 165 . 1 1 60 60 TYR H H 1 8.76 0.02 . 1 . . . . . . . . 2410 1 166 . 1 1 60 60 TYR HA H 1 3.81 0.02 . 1 . . . . . . . . 2410 1 167 . 1 1 60 60 TYR CA C 13 61.14 0.05 . 1 . . . . . . . . 2410 1 168 . 1 1 60 60 TYR N N 15 126.27 0.05 . 1 . . . . . . . . 2410 1 169 . 1 1 61 61 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 2410 1 170 . 1 1 61 61 ILE HA H 1 3.42 0.02 . 1 . . . . . . . . 2410 1 171 . 1 1 61 61 ILE CA C 13 64.41 0.05 . 1 . . . . . . . . 2410 1 172 . 1 1 61 61 ILE CB C 13 36.78 0.05 . 1 . . . . . . . . 2410 1 173 . 1 1 61 61 ILE N N 15 120.64 0.05 . 1 . . . . . . . . 2410 1 174 . 1 1 62 62 MET H H 1 8.01 0.02 . 1 . . . . . . . . 2410 1 175 . 1 1 62 62 MET HA H 1 4.41 0.02 . 1 . . . . . . . . 2410 1 176 . 1 1 62 62 MET CA C 13 56.65 0.05 . 1 . . . . . . . . 2410 1 177 . 1 1 62 62 MET CB C 13 30.35 0.05 . 1 . . . . . . . . 2410 1 178 . 1 1 62 62 MET N N 15 117.71 0.05 . 1 . . . . . . . . 2410 1 179 . 1 1 63 63 THR H H 1 8.57 0.02 . 1 . . . . . . . . 2410 1 180 . 1 1 63 63 THR HA H 1 4.11 0.02 . 1 . . . . . . . . 2410 1 181 . 1 1 63 63 THR CA C 13 64.62 0.05 . 1 . . . . . . . . 2410 1 182 . 1 1 63 63 THR CB C 13 66.83 0.05 . 1 . . . . . . . . 2410 1 183 . 1 1 63 63 THR N N 15 117.93 0.05 . 1 . . . . . . . . 2410 1 184 . 1 1 64 64 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 2410 1 185 . 1 1 64 64 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 2410 1 186 . 1 1 64 64 LYS CA C 13 54.03 0.05 . 1 . . . . . . . . 2410 1 187 . 1 1 64 64 LYS CB C 13 29.03 0.05 . 1 . . . . . . . . 2410 1 188 . 1 1 64 64 LYS N N 15 120.42 0.05 . 1 . . . . . . . . 2410 1 189 . 1 1 65 65 ARG H H 1 7.60 0.02 . 1 . . . . . . . . 2410 1 190 . 1 1 65 65 ARG HA H 1 3.73 0.02 . 1 . . . . . . . . 2410 1 191 . 1 1 65 65 ARG CA C 13 55.12 0.05 . 1 . . . . . . . . 2410 1 192 . 1 1 65 65 ARG CB C 13 24.73 0.05 . 1 . . . . . . . . 2410 1 193 . 1 1 65 65 ARG N N 15 118.00 0.05 . 1 . . . . . . . . 2410 1 194 . 1 1 66 66 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 2410 1 195 . 1 1 66 66 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 2410 1 196 . 1 1 66 66 LEU CA C 13 53.20 0.05 . 1 . . . . . . . . 2410 1 197 . 1 1 66 66 LEU N N 15 116.96 0.05 . 1 . . . . . . . . 2410 1 198 . 1 1 67 67 TYR H H 1 8.74 0.02 . 1 . . . . . . . . 2410 1 199 . 1 1 67 67 TYR HA H 1 5.06 0.02 . 1 . . . . . . . . 2410 1 200 . 1 1 67 67 TYR CA C 13 53.45 0.05 . 1 . . . . . . . . 2410 1 201 . 1 1 67 67 TYR CB C 13 37.56 0.05 . 1 . . . . . . . . 2410 1 202 . 1 1 67 67 TYR N N 15 126.27 0.05 . 1 . . . . . . . . 2410 1 203 . 1 1 68 68 ASP H H 1 8.57 0.02 . 1 . . . . . . . . 2410 1 204 . 1 1 68 68 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 2410 1 205 . 1 1 68 68 ASP CA C 13 52.54 0.05 . 1 . . . . . . . . 2410 1 206 . 1 1 68 68 ASP CB C 13 40.93 0.05 . 1 . . . . . . . . 2410 1 207 . 1 1 68 68 ASP N N 15 125.30 0.05 . 1 . . . . . . . . 2410 1 208 . 1 1 69 69 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 2410 1 209 . 1 1 69 69 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 2410 1 210 . 1 1 69 69 GLU CA C 13 57.59 0.05 . 1 . . . . . . . . 2410 1 211 . 1 1 69 69 GLU CB C 13 28.23 0.05 . 1 . . . . . . . . 2410 1 212 . 1 1 69 69 GLU N N 15 125.89 0.05 . 1 . . . . . . . . 2410 1 213 . 1 1 70 70 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 2410 1 214 . 1 1 70 70 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 2410 1 215 . 1 1 70 70 LYS CA C 13 55.44 0.05 . 1 . . . . . . . . 2410 1 216 . 1 1 70 70 LYS CB C 13 31.56 0.05 . 1 . . . . . . . . 2410 1 217 . 1 1 70 70 LYS N N 15 118.53 0.05 . 1 . . . . . . . . 2410 1 218 . 1 1 71 71 GLN H H 1 8.37 0.02 . 1 . . . . . . . . 2410 1 219 . 1 1 71 71 GLN CA C 13 52.51 0.05 . 1 . . . . . . . . 2410 1 220 . 1 1 71 71 GLN CB C 13 29.23 0.05 . 1 . . . . . . . . 2410 1 221 . 1 1 71 71 GLN N N 15 122.94 0.05 . 1 . . . . . . . . 2410 1 222 . 1 1 72 72 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 2410 1 223 . 1 1 72 72 GLN HA H 1 4.36 0.02 . 1 . . . . . . . . 2410 1 224 . 1 1 72 72 GLN CA C 13 57.18 0.05 . 1 . . . . . . . . 2410 1 225 . 1 1 72 72 GLN CB C 13 25.34 0.05 . 1 . . . . . . . . 2410 1 226 . 1 1 72 72 GLN N N 15 120.76 0.05 . 1 . . . . . . . . 2410 1 227 . 1 1 73 73 HIS H H 1 7.76 0.02 . 1 . . . . . . . . 2410 1 228 . 1 1 73 73 HIS HA H 1 4.55 0.02 . 1 . . . . . . . . 2410 1 229 . 1 1 73 73 HIS CA C 13 54.18 0.05 . 1 . . . . . . . . 2410 1 230 . 1 1 73 73 HIS CB C 13 28.75 0.05 . 1 . . . . . . . . 2410 1 231 . 1 1 73 73 HIS N N 15 114.08 0.05 . 1 . . . . . . . . 2410 1 232 . 1 1 74 74 ILE H H 1 7.69 0.02 . 1 . . . . . . . . 2410 1 233 . 1 1 74 74 ILE CA C 13 58.15 0.05 . 1 . . . . . . . . 2410 1 234 . 1 1 74 74 ILE CB C 13 34.95 0.05 . 1 . . . . . . . . 2410 1 235 . 1 1 74 74 ILE N N 15 124.60 0.05 . 1 . . . . . . . . 2410 1 236 . 1 1 75 75 VAL H H 1 8.34 0.02 . 1 . . . . . . . . 2410 1 237 . 1 1 75 75 VAL CA C 13 59.01 0.05 . 1 . . . . . . . . 2410 1 238 . 1 1 75 75 VAL CB C 13 30.70 0.05 . 1 . . . . . . . . 2410 1 239 . 1 1 75 75 VAL N N 15 128.08 0.05 . 1 . . . . . . . . 2410 1 240 . 1 1 76 76 TYR H H 1 8.31 0.02 . 1 . . . . . . . . 2410 1 241 . 1 1 76 76 TYR CA C 13 55.75 0.05 . 1 . . . . . . . . 2410 1 242 . 1 1 76 76 TYR CB C 13 36.53 0.05 . 1 . . . . . . . . 2410 1 243 . 1 1 76 76 TYR N N 15 127.85 0.05 . 1 . . . . . . . . 2410 1 244 . 1 1 77 77 CYS H H 1 8.38 0.02 . 1 . . . . . . . . 2410 1 245 . 1 1 77 77 CYS CA C 13 54.25 0.05 . 1 . . . . . . . . 2410 1 246 . 1 1 77 77 CYS N N 15 118.95 0.05 . 1 . . . . . . . . 2410 1 247 . 1 1 81 81 LEU CA C 13 56.30 0.05 . 1 . . . . . . . . 2410 1 248 . 1 1 81 81 LEU CB C 13 40.41 0.05 . 1 . . . . . . . . 2410 1 249 . 1 1 82 82 LEU H H 1 9.80 0.02 . 1 . . . . . . . . 2410 1 250 . 1 1 82 82 LEU HA H 1 3.60 0.02 . 1 . . . . . . . . 2410 1 251 . 1 1 82 82 LEU CA C 13 56.74 0.05 . 1 . . . . . . . . 2410 1 252 . 1 1 82 82 LEU CB C 13 40.79 0.05 . 1 . . . . . . . . 2410 1 253 . 1 1 82 82 LEU N N 15 120.48 0.05 . 1 . . . . . . . . 2410 1 254 . 1 1 83 83 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 2410 1 255 . 1 1 83 83 GLY HA2 H 1 4.09 0.02 . 1 . . . . . . . . 2410 1 256 . 1 1 83 83 GLY HA3 H 1 4.09 0.02 . 1 . . . . . . . . 2410 1 257 . 1 1 83 83 GLY CA C 13 46.18 0.05 . 1 . . . . . . . . 2410 1 258 . 1 1 83 83 GLY N N 15 108.28 0.05 . 1 . . . . . . . . 2410 1 259 . 1 1 84 84 ASP H H 1 7.52 0.02 . 1 . . . . . . . . 2410 1 260 . 1 1 84 84 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 2410 1 261 . 1 1 84 84 ASP CA C 13 55.13 0.05 . 1 . . . . . . . . 2410 1 262 . 1 1 84 84 ASP CB C 13 38.34 0.05 . 1 . . . . . . . . 2410 1 263 . 1 1 84 84 ASP N N 15 124.97 0.05 . 1 . . . . . . . . 2410 1 264 . 1 1 85 85 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 2410 1 265 . 1 1 85 85 LEU CA C 13 55.69 0.05 . 1 . . . . . . . . 2410 1 266 . 1 1 85 85 LEU N N 15 120.84 0.05 . 1 . . . . . . . . 2410 1 267 . 1 1 86 86 PHE H H 1 8.38 0.02 . 1 . . . . . . . . 2410 1 268 . 1 1 86 86 PHE CB C 13 36.39 0.05 . 1 . . . . . . . . 2410 1 269 . 1 1 86 86 PHE N N 15 118.28 0.05 . 1 . . . . . . . . 2410 1 270 . 1 1 87 87 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 2410 1 271 . 1 1 87 87 GLY HA2 H 1 4.61 0.02 . 1 . . . . . . . . 2410 1 272 . 1 1 87 87 GLY HA3 H 1 4.61 0.02 . 1 . . . . . . . . 2410 1 273 . 1 1 87 87 GLY CA C 13 44.81 0.05 . 1 . . . . . . . . 2410 1 274 . 1 1 87 87 GLY N N 15 109.90 0.05 . 1 . . . . . . . . 2410 1 275 . 1 1 88 88 VAL H H 1 7.09 0.02 . 1 . . . . . . . . 2410 1 276 . 1 1 88 88 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 2410 1 277 . 1 1 88 88 VAL CA C 13 55.28 0.05 . 1 . . . . . . . . 2410 1 278 . 1 1 88 88 VAL N N 15 110.31 0.05 . 1 . . . . . . . . 2410 1 279 . 1 1 89 89 PRO CA C 13 61.59 0.05 . 1 . . . . . . . . 2410 1 280 . 1 1 89 89 PRO CB C 13 30.04 0.05 . 1 . . . . . . . . 2410 1 281 . 1 1 90 90 SER H H 1 7.23 0.02 . 1 . . . . . . . . 2410 1 282 . 1 1 90 90 SER HA H 1 5.43 0.02 . 1 . . . . . . . . 2410 1 283 . 1 1 90 90 SER CA C 13 54.97 0.05 . 1 . . . . . . . . 2410 1 284 . 1 1 90 90 SER CB C 13 63.20 0.05 . 1 . . . . . . . . 2410 1 285 . 1 1 90 90 SER N N 15 113.11 0.05 . 1 . . . . . . . . 2410 1 286 . 1 1 91 91 PHE H H 1 8.23 0.02 . 1 . . . . . . . . 2410 1 287 . 1 1 91 91 PHE CA C 13 55.11 0.05 . 1 . . . . . . . . 2410 1 288 . 1 1 91 91 PHE CB C 13 37.56 0.05 . 1 . . . . . . . . 2410 1 289 . 1 1 91 91 PHE N N 15 116.50 0.05 . 1 . . . . . . . . 2410 1 290 . 1 1 92 92 SER H H 1 8.70 0.02 . 1 . . . . . . . . 2410 1 291 . 1 1 92 92 SER CA C 13 52.77 0.05 . 1 . . . . . . . . 2410 1 292 . 1 1 92 92 SER CB C 13 62.36 0.05 . 1 . . . . . . . . 2410 1 293 . 1 1 92 92 SER N N 15 114.52 0.05 . 1 . . . . . . . . 2410 1 294 . 1 1 93 93 VAL H H 1 9.44 0.02 . 1 . . . . . . . . 2410 1 295 . 1 1 93 93 VAL HA H 1 5.56 0.02 . 1 . . . . . . . . 2410 1 296 . 1 1 93 93 VAL CA C 13 62.08 0.05 . 1 . . . . . . . . 2410 1 297 . 1 1 93 93 VAL CB C 13 29.50 0.05 . 1 . . . . . . . . 2410 1 298 . 1 1 93 93 VAL N N 15 125.07 0.05 . 1 . . . . . . . . 2410 1 299 . 1 1 94 94 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 2410 1 300 . 1 1 94 94 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 2410 1 301 . 1 1 94 94 LYS CA C 13 55.00 0.05 . 1 . . . . . . . . 2410 1 302 . 1 1 94 94 LYS CB C 13 30.58 0.05 . 1 . . . . . . . . 2410 1 303 . 1 1 94 94 LYS N N 15 118.24 0.05 . 1 . . . . . . . . 2410 1 304 . 1 1 95 95 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 2410 1 305 . 1 1 95 95 GLU HA H 1 4.49 0.02 . 1 . . . . . . . . 2410 1 306 . 1 1 95 95 GLU CA C 13 52.94 0.05 . 1 . . . . . . . . 2410 1 307 . 1 1 95 95 GLU CB C 13 25.65 0.05 . 1 . . . . . . . . 2410 1 308 . 1 1 95 95 GLU N N 15 122.03 0.05 . 1 . . . . . . . . 2410 1 309 . 1 1 96 96 HIS H H 1 7.59 0.02 . 1 . . . . . . . . 2410 1 310 . 1 1 96 96 HIS CA C 13 58.33 0.05 . 1 . . . . . . . . 2410 1 311 . 1 1 96 96 HIS N N 15 122.62 0.05 . 1 . . . . . . . . 2410 1 312 . 1 1 97 97 ARG CA C 13 56.64 0.05 . 1 . . . . . . . . 2410 1 313 . 1 1 97 97 ARG CB C 13 26.11 0.05 . 1 . . . . . . . . 2410 1 314 . 1 1 98 98 LYS H H 1 7.71 0.02 . 1 . . . . . . . . 2410 1 315 . 1 1 98 98 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 2410 1 316 . 1 1 98 98 LYS CA C 13 58.02 0.05 . 1 . . . . . . . . 2410 1 317 . 1 1 98 98 LYS N N 15 122.63 0.05 . 1 . . . . . . . . 2410 1 318 . 1 1 99 99 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 2410 1 319 . 1 1 99 99 ILE CA C 13 63.54 0.05 . 1 . . . . . . . . 2410 1 320 . 1 1 99 99 ILE N N 15 120.88 0.05 . 1 . . . . . . . . 2410 1 321 . 1 1 100 100 TYR H H 1 8.48 0.02 . 1 . . . . . . . . 2410 1 322 . 1 1 100 100 TYR CA C 13 61.01 0.05 . 1 . . . . . . . . 2410 1 323 . 1 1 100 100 TYR CB C 13 35.43 0.05 . 1 . . . . . . . . 2410 1 324 . 1 1 100 100 TYR N N 15 122.55 0.05 . 1 . . . . . . . . 2410 1 325 . 1 1 101 101 THR H H 1 8.09 0.02 . 1 . . . . . . . . 2410 1 326 . 1 1 101 101 THR CA C 13 65.46 0.05 . 1 . . . . . . . . 2410 1 327 . 1 1 101 101 THR N N 15 115.80 0.05 . 1 . . . . . . . . 2410 1 328 . 1 1 102 102 MET H H 1 7.66 0.02 . 1 . . . . . . . . 2410 1 329 . 1 1 102 102 MET CA C 13 57.94 0.05 . 1 . . . . . . . . 2410 1 330 . 1 1 102 102 MET N N 15 121.89 0.05 . 1 . . . . . . . . 2410 1 331 . 1 1 103 103 ILE CA C 13 63.94 0.05 . 1 . . . . . . . . 2410 1 332 . 1 1 103 103 ILE CB C 13 39.12 0.05 . 1 . . . . . . . . 2410 1 333 . 1 1 104 104 TYR H H 1 8.77 0.02 . 1 . . . . . . . . 2410 1 334 . 1 1 104 104 TYR CA C 13 59.55 0.05 . 1 . . . . . . . . 2410 1 335 . 1 1 104 104 TYR N N 15 121.77 0.05 . 1 . . . . . . . . 2410 1 336 . 1 1 107 107 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 2410 1 337 . 1 1 107 107 LEU N N 15 130.74 0.05 . 1 . . . . . . . . 2410 1 338 . 1 1 108 108 VAL H H 1 8.68 0.02 . 5 . . . . . . . . 2410 1 339 . 1 1 108 108 VAL HA H 1 4.29 0.02 . 5 . . . . . . . . 2410 1 340 . 1 1 108 108 VAL N N 15 129.42 0.05 . 5 . . . . . . . . 2410 1 341 . 1 1 109 109 VAL H H 1 8.68 0.02 . 5 . . . . . . . . 2410 1 342 . 1 1 109 109 VAL HA H 1 4.29 0.02 . 5 . . . . . . . . 2410 1 343 . 1 1 109 109 VAL N N 15 129.42 0.05 . 5 . . . . . . . . 2410 1 344 . 1 1 110 110 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 2410 1 345 . 1 1 110 110 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 2410 1 346 . 1 1 110 110 VAL CA C 13 61.32 0.05 . 1 . . . . . . . . 2410 1 347 . 1 1 110 110 VAL CB C 13 30.66 0.05 . 1 . . . . . . . . 2410 1 348 . 1 1 110 110 VAL N N 15 129.05 0.05 . 1 . . . . . . . . 2410 1 349 . 1 1 111 111 ASN H H 1 8.24 0.02 . 1 . . . . . . . . 2410 1 350 . 1 1 111 111 ASN CA C 13 55.05 0.05 . 1 . . . . . . . . 2410 1 351 . 1 1 111 111 ASN N N 15 125.14 0.05 . 1 . . . . . . . . 2410 1 352 . 1 1 116 116 SER CA C 13 56.60 0.05 . 1 . . . . . . . . 2410 1 353 . 1 1 116 116 SER CB C 13 62.03 0.05 . 1 . . . . . . . . 2410 1 354 . 1 1 117 117 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 2410 1 355 . 1 1 117 117 ASP CA C 13 52.78 0.05 . 1 . . . . . . . . 2410 1 356 . 1 1 117 117 ASP CB C 13 39.11 0.05 . 1 . . . . . . . . 2410 1 357 . 1 1 117 117 ASP N N 15 124.33 0.05 . 1 . . . . . . . . 2410 1 358 . 1 1 118 118 SER H H 1 8.20 0.02 . 1 . . . . . . . . 2410 1 359 . 1 1 118 118 SER CA C 13 56.62 0.05 . 1 . . . . . . . . 2410 1 360 . 1 1 118 118 SER CB C 13 62.08 0.05 . 1 . . . . . . . . 2410 1 361 . 1 1 118 118 SER N N 15 118.08 0.05 . 1 . . . . . . . . 2410 1 362 . 1 1 119 119 SER H H 1 7.99 0.02 . 1 . . . . . . . . 2410 1 363 . 1 1 119 119 SER CA C 13 58.50 0.05 . 1 . . . . . . . . 2410 1 364 . 1 1 119 119 SER N N 15 125.40 0.05 . 1 . . . . . . . . 2410 1 stop_ save_