data_16893 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16893 _Entry.Title ; MDM4 binds ligands via an induced fit mechanism in which disordered regions become structured ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-22 _Entry.Accession_date 2010-04-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Maria Sanchez . C. . 16893 2 Jonathan Renshaw . G. . 16893 3 Gareth Davies . O. . 16893 4 Paul Barlow . N. . 16893 5 Martin Vogtherr . . . 16893 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Edinburgh University' . 16893 1 . 'AstraZeneca Pharmaceuticals' . 16893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 16893 '15N chemical shifts' 66 16893 '1H chemical shifts' 66 16893 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-28 2010-04-22 update BMRB 'Complete entry citation' 16893 1 . . 2010-06-16 2010-04-22 original author 'Original release' 16893 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16894 'MDM4-nutlin3 complex' 16893 BMRB 16900 'MDM4-p53 complex' 16893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20515689 _Citation.Full_citation . _Citation.Title 'MDM4 binds ligands via a mechanism in which disordered regions become structured.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 584 _Citation.Journal_issue 14 _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 3035 _Citation.Page_last 3041 _Citation.Year 2010 _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 Maria Sanchez . C. . 16893 1 2 Jonathan Renshaw . G. . 16893 1 3 Gareth Davies . . . 16893 1 4 Paul Barlow . N. . 16893 1 5 Martin Vogtherr . . . 16893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16893 _Assembly.ID 1 _Assembly.Name 'MDM4 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MDM4 1 $MDM4_N-terminal_domain A . yes native no no . . . 16893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MDM4_N-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode MDM4_N-terminal_domain _Entity.Entry_ID 16893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MDM4 N-terminal domain' _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 ; GSHMDSASRISPGQINQVRP KLPLLKILHAAGAQGEMFTV KEVMHYLGQYIMVKQLYDQQ EQHMVYCGGDLLGELLGRQS FSVKDPSPLYDMLRKNLVTL AT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C17S _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 16894 . MDM4_N-terminal_domain . . . . . 100.00 102 100.00 100.00 1.34e-67 . . . . 16893 1 2 no BMRB 16900 . MDM4_N-terminal_domain . . . . . 100.00 102 100.00 100.00 1.34e-67 . . . . 16893 1 3 no PDB 2VYR . "Structure Of Human Mdm4 N-terminal Domain Bound To A Single Domain Antibody" . . . . . 94.12 101 98.96 98.96 3.92e-62 . . . . 16893 1 4 no PDB 3DAB . "Structure Of The Human Mdmx Protein Bound To The P53 Tumor Suppressor Transactivation Domain" . . . . . 87.25 90 100.00 100.00 4.49e-57 . . . . 16893 1 5 no PDB 3FDO . "Structure Of Human Mdmx In Complex With High Affinity Peptide" . . . . . 87.25 90 100.00 100.00 4.49e-57 . . . . 16893 1 6 no PDB 3FE7 . "Crystal Structure Of Hdmx Bound To The P53-Peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-Nh2 At 1.35a" . . . . . 96.08 100 100.00 100.00 4.49e-64 . . . . 16893 1 7 no PDB 3FEA . "Crystal Structure Of Hdmx Bound To The P53-Peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-Nh2 At 1.33a" . . . . . 96.08 100 100.00 100.00 4.49e-64 . . . . 16893 1 8 no PDB 3JZO . "Human Mdmx Liganded With A 12mer Peptide (Pdi)" . . . . . 87.25 89 100.00 100.00 4.12e-57 . . . . 16893 1 9 no PDB 3JZP . "Human Mdmx Liganded With A 12mer Peptide Inhibitor (Pdi6w)" . . . . . 87.25 89 100.00 100.00 4.12e-57 . . . . 16893 1 10 no PDB 3JZQ . "Human Mdmx Liganded With A 12mer Peptide Inhibitor (Pdiq)" . . . . . 87.25 89 100.00 100.00 4.12e-57 . . . . 16893 1 11 no PDB 3LBJ . "Structure Of Human Mdmx Protein In Complex With A Small Molecule Inhibitor" . . . . . 87.25 90 100.00 100.00 4.39e-57 . . . . 16893 1 12 no PDB 3U15 . "Structure Of Hdmx With Dimer Inducing Indolyl Hydantoin Ro-2443" . . . . . 96.08 100 100.00 100.00 4.49e-64 . . . . 16893 1 13 no PDB 4RXZ . "Crystal Structure Of Mdmx Phosporylated Tyr99 In Complex With A 12-mer Peptide" . . . . . 83.33 85 98.82 98.82 5.29e-53 . . . . 16893 1 14 no DBJ BAD96948 . "mouse double minute 4 homolog [Homo sapiens]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 15 no DBJ BAG64634 . "unnamed protein product [Homo sapiens]" . . . . . 99.02 127 97.03 97.03 2.83e-64 . . . . 16893 1 16 no DBJ BAG65468 . "unnamed protein product [Homo sapiens]" . . . . . 99.02 140 97.03 97.03 4.22e-64 . . . . 16893 1 17 no DBJ BAK62829 . "Mdm4 protein [Pan troglodytes]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 18 no EMBL CAE45961 . "hypothetical protein [Homo sapiens]" . . . . . 99.02 153 97.03 97.03 7.98e-64 . . . . 16893 1 19 no EMBL CAH18300 . "hypothetical protein [Homo sapiens]" . . . . . 99.02 140 97.03 97.03 4.22e-64 . . . . 16893 1 20 no GB AAH67299 . "Mdm4 p53 binding protein homolog (mouse) [Homo sapiens]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 21 no GB AAI05107 . "MDM4 protein [Homo sapiens]" . . . . . 99.02 440 97.03 97.03 8.12e-63 . . . . 16893 1 22 no GB AAO13494 . "Mdm4, transformed 3T3 cell double minute 4, p53 binding protein (mouse) [Homo sapiens]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 23 no GB AGJ70143 . "Mdm4 p53 binding protein transcript variant B [Homo sapiens]" . . . . . 99.02 172 97.03 97.03 1.89e-64 . . . . 16893 1 24 no GB AGZ93683 . "MDM4 protein variant G [Homo sapiens]" . . . . . 99.02 140 97.03 97.03 4.22e-64 . . . . 16893 1 25 no REF NP_001191100 . "protein Mdm4 isoform 2 [Homo sapiens]" . . . . . 99.02 440 97.03 97.03 8.12e-63 . . . . 16893 1 26 no REF NP_001265445 . "protein Mdm4 isoform 4 [Homo sapiens]" . . . . . 99.02 140 97.03 97.03 4.22e-64 . . . . 16893 1 27 no REF NP_001265447 . "protein Mdm4 isoform 6 [Homo sapiens]" . . . . . 99.02 116 97.03 97.03 2.82e-64 . . . . 16893 1 28 no REF NP_001267305 . "protein Mdm4 [Pan troglodytes]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 29 no REF NP_002384 . "protein Mdm4 isoform 1 [Homo sapiens]" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 1 30 no SP O15151 . "RecName: Full=Protein Mdm4; AltName: Full=Double minute 4 protein; AltName: Full=Mdm2-like p53-binding protein; AltName: Full=P" . . . . . 99.02 490 97.03 97.03 1.37e-62 . . . . 16893 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 10 GLY . 16893 1 2 11 SER . 16893 1 3 12 HIS . 16893 1 4 13 MET . 16893 1 5 14 ASP . 16893 1 6 15 SER . 16893 1 7 16 ALA . 16893 1 8 17 SER . 16893 1 9 18 ARG . 16893 1 10 19 ILE . 16893 1 11 20 SER . 16893 1 12 21 PRO . 16893 1 13 22 GLY . 16893 1 14 23 GLN . 16893 1 15 24 ILE . 16893 1 16 25 ASN . 16893 1 17 26 GLN . 16893 1 18 27 VAL . 16893 1 19 28 ARG . 16893 1 20 29 PRO . 16893 1 21 30 LYS . 16893 1 22 31 LEU . 16893 1 23 32 PRO . 16893 1 24 33 LEU . 16893 1 25 34 LEU . 16893 1 26 35 LYS . 16893 1 27 36 ILE . 16893 1 28 37 LEU . 16893 1 29 38 HIS . 16893 1 30 39 ALA . 16893 1 31 40 ALA . 16893 1 32 41 GLY . 16893 1 33 42 ALA . 16893 1 34 43 GLN . 16893 1 35 44 GLY . 16893 1 36 45 GLU . 16893 1 37 46 MET . 16893 1 38 47 PHE . 16893 1 39 48 THR . 16893 1 40 49 VAL . 16893 1 41 50 LYS . 16893 1 42 51 GLU . 16893 1 43 52 VAL . 16893 1 44 53 MET . 16893 1 45 54 HIS . 16893 1 46 55 TYR . 16893 1 47 56 LEU . 16893 1 48 57 GLY . 16893 1 49 58 GLN . 16893 1 50 59 TYR . 16893 1 51 60 ILE . 16893 1 52 61 MET . 16893 1 53 62 VAL . 16893 1 54 63 LYS . 16893 1 55 64 GLN . 16893 1 56 65 LEU . 16893 1 57 66 TYR . 16893 1 58 67 ASP . 16893 1 59 68 GLN . 16893 1 60 69 GLN . 16893 1 61 70 GLU . 16893 1 62 71 GLN . 16893 1 63 72 HIS . 16893 1 64 73 MET . 16893 1 65 74 VAL . 16893 1 66 75 TYR . 16893 1 67 76 CYS . 16893 1 68 77 GLY . 16893 1 69 78 GLY . 16893 1 70 79 ASP . 16893 1 71 80 LEU . 16893 1 72 81 LEU . 16893 1 73 82 GLY . 16893 1 74 83 GLU . 16893 1 75 84 LEU . 16893 1 76 85 LEU . 16893 1 77 86 GLY . 16893 1 78 87 ARG . 16893 1 79 88 GLN . 16893 1 80 89 SER . 16893 1 81 90 PHE . 16893 1 82 91 SER . 16893 1 83 92 VAL . 16893 1 84 93 LYS . 16893 1 85 94 ASP . 16893 1 86 95 PRO . 16893 1 87 96 SER . 16893 1 88 97 PRO . 16893 1 89 98 LEU . 16893 1 90 99 TYR . 16893 1 91 100 ASP . 16893 1 92 101 MET . 16893 1 93 102 LEU . 16893 1 94 103 ARG . 16893 1 95 104 LYS . 16893 1 96 105 ASN . 16893 1 97 106 LEU . 16893 1 98 107 VAL . 16893 1 99 108 THR . 16893 1 100 109 LEU . 16893 1 101 110 ALA . 16893 1 102 111 THR . 16893 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 16893 1 . SER 2 2 16893 1 . HIS 3 3 16893 1 . MET 4 4 16893 1 . ASP 5 5 16893 1 . SER 6 6 16893 1 . ALA 7 7 16893 1 . SER 8 8 16893 1 . ARG 9 9 16893 1 . ILE 10 10 16893 1 . SER 11 11 16893 1 . PRO 12 12 16893 1 . GLY 13 13 16893 1 . GLN 14 14 16893 1 . ILE 15 15 16893 1 . ASN 16 16 16893 1 . GLN 17 17 16893 1 . VAL 18 18 16893 1 . ARG 19 19 16893 1 . PRO 20 20 16893 1 . LYS 21 21 16893 1 . LEU 22 22 16893 1 . PRO 23 23 16893 1 . LEU 24 24 16893 1 . LEU 25 25 16893 1 . LYS 26 26 16893 1 . ILE 27 27 16893 1 . LEU 28 28 16893 1 . HIS 29 29 16893 1 . ALA 30 30 16893 1 . ALA 31 31 16893 1 . GLY 32 32 16893 1 . ALA 33 33 16893 1 . GLN 34 34 16893 1 . GLY 35 35 16893 1 . GLU 36 36 16893 1 . MET 37 37 16893 1 . PHE 38 38 16893 1 . THR 39 39 16893 1 . VAL 40 40 16893 1 . LYS 41 41 16893 1 . GLU 42 42 16893 1 . VAL 43 43 16893 1 . MET 44 44 16893 1 . HIS 45 45 16893 1 . TYR 46 46 16893 1 . LEU 47 47 16893 1 . GLY 48 48 16893 1 . GLN 49 49 16893 1 . TYR 50 50 16893 1 . ILE 51 51 16893 1 . MET 52 52 16893 1 . VAL 53 53 16893 1 . LYS 54 54 16893 1 . GLN 55 55 16893 1 . LEU 56 56 16893 1 . TYR 57 57 16893 1 . ASP 58 58 16893 1 . GLN 59 59 16893 1 . GLN 60 60 16893 1 . GLU 61 61 16893 1 . GLN 62 62 16893 1 . HIS 63 63 16893 1 . MET 64 64 16893 1 . VAL 65 65 16893 1 . TYR 66 66 16893 1 . CYS 67 67 16893 1 . GLY 68 68 16893 1 . GLY 69 69 16893 1 . ASP 70 70 16893 1 . LEU 71 71 16893 1 . LEU 72 72 16893 1 . GLY 73 73 16893 1 . GLU 74 74 16893 1 . LEU 75 75 16893 1 . LEU 76 76 16893 1 . GLY 77 77 16893 1 . ARG 78 78 16893 1 . GLN 79 79 16893 1 . SER 80 80 16893 1 . PHE 81 81 16893 1 . SER 82 82 16893 1 . VAL 83 83 16893 1 . LYS 84 84 16893 1 . ASP 85 85 16893 1 . PRO 86 86 16893 1 . SER 87 87 16893 1 . PRO 88 88 16893 1 . LEU 89 89 16893 1 . TYR 90 90 16893 1 . ASP 91 91 16893 1 . MET 92 92 16893 1 . LEU 93 93 16893 1 . ARG 94 94 16893 1 . LYS 95 95 16893 1 . ASN 96 96 16893 1 . LEU 97 97 16893 1 . VAL 98 98 16893 1 . THR 99 99 16893 1 . LEU 100 100 16893 1 . ALA 101 101 16893 1 . THR 102 102 16893 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 16893 _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 $MDM4_N-terminal_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16893 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 16893 _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 $MDM4_N-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28b . . . . . . 16893 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% H2O / 1% DMSO' _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 'MDM4 N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $MDM4_N-terminal_domain . . 0.1 . . mM . . . . 16893 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16893 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 16893 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16893 1 5 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 16893 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 16893 1 7 H2O 'natural abundance' . . . . . . 99 . . % . . . . 16893 1 8 DMSO 'natural abundance' . . . . . . 1 . . % . . . . 16893 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16893 _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 'ionic strength' 0.2 . M 16893 1 pH 6.5 . pH 16893 1 pressure 1 . atm 16893 1 temperature 298 . K 16893 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16893 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16893 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16893 1 processing 16893 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16893 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16893 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16893 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16893 _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 spectrometer_1 Bruker Avance . 800 . . . 16893 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 16893 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16893 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16893 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16893 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16893 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16893 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16893 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16893 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16893 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16893 1 2 '3D HNCO' . . . 16893 1 3 '3D HNCA' . . . 16893 1 4 '3D HNCACB' . . . 16893 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 2 $CARA . . 16893 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 5 5 ASP H H 1 8.169 0.020 . 1 . . . . 14 ASP H . 16893 1 2 . 1 1 5 5 ASP C C 13 175.966 0.3 . 1 . . . . 14 ASP C . 16893 1 3 . 1 1 5 5 ASP CA C 13 53.949 0.3 . 1 . . . . 14 ASP CA . 16893 1 4 . 1 1 5 5 ASP CB C 13 40.823 0.3 . 1 . . . . 14 ASP CB . 16893 1 5 . 1 1 5 5 ASP N N 15 122.094 0.3 . 1 . . . . 14 ASP N . 16893 1 6 . 1 1 6 6 SER H H 1 8.097 0.020 . 1 . . . . 15 SER H . 16893 1 7 . 1 1 6 6 SER CA C 13 58.419 0.3 . 1 . . . . 15 SER CA . 16893 1 8 . 1 1 6 6 SER CB C 13 62.947 0.3 . 1 . . . . 15 SER CB . 16893 1 9 . 1 1 6 6 SER N N 15 116.621 0.3 . 1 . . . . 15 SER N . 16893 1 10 . 1 1 7 7 ALA H H 1 8.109 0.020 . 1 . . . . 16 ALA H . 16893 1 11 . 1 1 7 7 ALA C C 13 177.455 0.3 . 1 . . . . 16 ALA C . 16893 1 12 . 1 1 7 7 ALA CA C 13 52.378 0.3 . 1 . . . . 16 ALA CA . 16893 1 13 . 1 1 7 7 ALA CB C 13 18.366 0.3 . 1 . . . . 16 ALA CB . 16893 1 14 . 1 1 7 7 ALA N N 15 125.501 0.3 . 1 . . . . 16 ALA N . 16893 1 15 . 1 1 8 8 SER H H 1 7.902 0.020 . 1 . . . . 17 SER H . 16893 1 16 . 1 1 8 8 SER C C 13 173.919 0.3 . 1 . . . . 17 SER C . 16893 1 17 . 1 1 8 8 SER CA C 13 58.103 0.3 . 1 . . . . 17 SER CA . 16893 1 18 . 1 1 8 8 SER CB C 13 62.939 0.3 . 1 . . . . 17 SER CB . 16893 1 19 . 1 1 8 8 SER N N 15 114.23 0.3 . 1 . . . . 17 SER N . 16893 1 20 . 1 1 9 9 ARG H H 1 7.931 0.020 . 1 . . . . 18 ARG H . 16893 1 21 . 1 1 9 9 ARG C C 13 175.383 0.3 . 1 . . . . 18 ARG C . 16893 1 22 . 1 1 9 9 ARG CA C 13 55.461 0.3 . 1 . . . . 18 ARG CA . 16893 1 23 . 1 1 9 9 ARG CB C 13 30.261 0.3 . 1 . . . . 18 ARG CB . 16893 1 24 . 1 1 9 9 ARG N N 15 122.544 0.3 . 1 . . . . 18 ARG N . 16893 1 25 . 1 1 10 10 ILE H H 1 7.865 0.020 . 1 . . . . 19 ILE H . 16893 1 26 . 1 1 10 10 ILE C C 13 175.203 0.3 . 1 . . . . 19 ILE C . 16893 1 27 . 1 1 10 10 ILE CA C 13 60.211 0.3 . 1 . . . . 19 ILE CA . 16893 1 28 . 1 1 10 10 ILE CB C 13 37.821 0.3 . 1 . . . . 19 ILE CB . 16893 1 29 . 1 1 10 10 ILE N N 15 121.495 0.3 . 1 . . . . 19 ILE N . 16893 1 30 . 1 1 11 11 SER H H 1 8.133 0.020 . 1 . . . . 20 SER H . 16893 1 31 . 1 1 11 11 SER CA C 13 55.517 0.3 . 1 . . . . 20 SER CA . 16893 1 32 . 1 1 11 11 SER CB C 13 62.824 0.3 . 1 . . . . 20 SER CB . 16893 1 33 . 1 1 11 11 SER N N 15 121.209 0.3 . 1 . . . . 20 SER N . 16893 1 34 . 1 1 12 12 PRO C C 13 176.931 0.3 . 1 . . . . 21 PRO C . 16893 1 35 . 1 1 12 12 PRO CA C 13 63.288 0.3 . 1 . . . . 21 PRO CA . 16893 1 36 . 1 1 12 12 PRO CB C 13 30.929 0.3 . 1 . . . . 21 PRO CB . 16893 1 37 . 1 1 13 13 GLY H H 1 8.218 0.020 . 1 . . . . 22 GLY H . 16893 1 38 . 1 1 13 13 GLY C C 13 173.612 0.3 . 1 . . . . 22 GLY C . 16893 1 39 . 1 1 13 13 GLY CA C 13 44.599 0.3 . 1 . . . . 22 GLY CA . 16893 1 40 . 1 1 13 13 GLY N N 15 108.47 0.3 . 1 . . . . 22 GLY N . 16893 1 41 . 1 1 14 14 GLN H H 1 7.857 0.020 . 1 . . . . 23 GLN H . 16893 1 42 . 1 1 14 14 GLN C C 13 175.587 0.3 . 1 . . . . 23 GLN C . 16893 1 43 . 1 1 14 14 GLN CA C 13 55.414 0.3 . 1 . . . . 23 GLN CA . 16893 1 44 . 1 1 14 14 GLN CB C 13 29.039 0.3 . 1 . . . . 23 GLN CB . 16893 1 45 . 1 1 14 14 GLN N N 15 119.811 0.3 . 1 . . . . 23 GLN N . 16893 1 46 . 1 1 15 15 ILE H H 1 7.973 0.020 . 1 . . . . 24 ILE H . 16893 1 47 . 1 1 15 15 ILE C C 13 175.128 0.3 . 1 . . . . 24 ILE C . 16893 1 48 . 1 1 15 15 ILE CA C 13 60.632 0.3 . 1 . . . . 24 ILE CA . 16893 1 49 . 1 1 15 15 ILE CB C 13 38.233 0.3 . 1 . . . . 24 ILE CB . 16893 1 50 . 1 1 15 15 ILE N N 15 120.837 0.3 . 1 . . . . 24 ILE N . 16893 1 51 . 1 1 16 16 ASN H H 1 8.234 0.020 . 1 . . . . 25 ASN H . 16893 1 52 . 1 1 16 16 ASN C C 13 174.27 0.3 . 1 . . . . 25 ASN C . 16893 1 53 . 1 1 16 16 ASN CA C 13 52.947 0.3 . 1 . . . . 25 ASN CA . 16893 1 54 . 1 1 16 16 ASN CB C 13 38.488 0.3 . 1 . . . . 25 ASN CB . 16893 1 55 . 1 1 16 16 ASN N N 15 121.578 0.3 . 1 . . . . 25 ASN N . 16893 1 56 . 1 1 17 17 GLN H H 1 8.091 0.020 . 1 . . . . 26 GLN H . 16893 1 57 . 1 1 17 17 GLN C C 13 174.709 0.3 . 1 . . . . 26 GLN C . 16893 1 58 . 1 1 17 17 GLN CA C 13 55.026 0.3 . 1 . . . . 26 GLN CA . 16893 1 59 . 1 1 17 17 GLN CB C 13 31.151 0.3 . 1 . . . . 26 GLN CB . 16893 1 60 . 1 1 17 17 GLN N N 15 119.561 0.3 . 1 . . . . 26 GLN N . 16893 1 61 . 1 1 18 18 VAL H H 1 9.282 0.020 . 1 . . . . 27 VAL H . 16893 1 62 . 1 1 18 18 VAL C C 13 173.216 0.3 . 1 . . . . 27 VAL C . 16893 1 63 . 1 1 18 18 VAL CA C 13 58.503 0.3 . 1 . . . . 27 VAL CA . 16893 1 64 . 1 1 18 18 VAL CB C 13 34.628 0.3 . 1 . . . . 27 VAL CB . 16893 1 65 . 1 1 18 18 VAL N N 15 115.167 0.3 . 1 . . . . 27 VAL N . 16893 1 66 . 1 1 19 19 ARG H H 1 8.733 0.020 . 1 . . . . 28 ARG H . 16893 1 67 . 1 1 19 19 ARG CA C 13 51.909 0.3 . 1 . . . . 28 ARG CA . 16893 1 68 . 1 1 19 19 ARG CB C 13 32.307 0.3 . 1 . . . . 28 ARG CB . 16893 1 69 . 1 1 19 19 ARG N N 15 122.603 0.3 . 1 . . . . 28 ARG N . 16893 1 70 . 1 1 20 20 PRO C C 13 175.777 0.3 . 1 . . . . 29 PRO C . 16893 1 71 . 1 1 20 20 PRO CA C 13 61.391 0.3 . 1 . . . . 29 PRO CA . 16893 1 72 . 1 1 20 20 PRO CB C 13 31.87 0.3 . 1 . . . . 29 PRO CB . 16893 1 73 . 1 1 21 21 LYS H H 1 8.249 0.020 . 1 . . . . 30 LYS H . 16893 1 74 . 1 1 21 21 LYS C C 13 176.786 0.3 . 1 . . . . 30 LYS C . 16893 1 75 . 1 1 21 21 LYS CA C 13 56.542 0.3 . 1 . . . . 30 LYS CA . 16893 1 76 . 1 1 21 21 LYS CB C 13 33.529 0.3 . 1 . . . . 30 LYS CB . 16893 1 77 . 1 1 21 21 LYS N N 15 121.241 0.3 . 1 . . . . 30 LYS N . 16893 1 78 . 1 1 22 22 LEU H H 1 8.454 0.020 . 1 . . . . 31 LEU H . 16893 1 79 . 1 1 22 22 LEU CA C 13 59.351 0.3 . 1 . . . . 31 LEU CA . 16893 1 80 . 1 1 22 22 LEU CB C 13 39.044 0.3 . 1 . . . . 31 LEU CB . 16893 1 81 . 1 1 22 22 LEU N N 15 122.106 0.3 . 1 . . . . 31 LEU N . 16893 1 82 . 1 1 23 23 PRO C C 13 177.612 0.3 . 1 . . . . 32 PRO C . 16893 1 83 . 1 1 24 24 LEU H H 1 6.475 0.020 . 1 . . . . 33 LEU H . 16893 1 84 . 1 1 24 24 LEU C C 13 177.088 0.3 . 1 . . . . 33 LEU C . 16893 1 85 . 1 1 24 24 LEU CA C 13 55.367 0.3 . 1 . . . . 33 LEU CA . 16893 1 86 . 1 1 24 24 LEU CB C 13 40.686 0.3 . 1 . . . . 33 LEU CB . 16893 1 87 . 1 1 24 24 LEU N N 15 113.758 0.3 . 1 . . . . 33 LEU N . 16893 1 88 . 1 1 25 25 LEU H H 1 8.258 0.020 . 1 . . . . 34 LEU H . 16893 1 89 . 1 1 25 25 LEU C C 13 176.936 0.3 . 1 . . . . 34 LEU C . 16893 1 90 . 1 1 25 25 LEU CA C 13 57.359 0.3 . 1 . . . . 34 LEU CA . 16893 1 91 . 1 1 25 25 LEU CB C 13 40.823 0.3 . 1 . . . . 34 LEU CB . 16893 1 92 . 1 1 25 25 LEU N N 15 122.267 0.3 . 1 . . . . 34 LEU N . 16893 1 93 . 1 1 26 26 LYS H H 1 7.898 0.020 . 1 . . . . 35 LYS H . 16893 1 94 . 1 1 26 26 LYS C C 13 179.643 0.3 . 1 . . . . 35 LYS C . 16893 1 95 . 1 1 26 26 LYS CA C 13 59.244 0.3 . 1 . . . . 35 LYS CA . 16893 1 96 . 1 1 26 26 LYS CB C 13 31.291 0.3 . 1 . . . . 35 LYS CB . 16893 1 97 . 1 1 26 26 LYS N N 15 115.766 0.3 . 1 . . . . 35 LYS N . 16893 1 98 . 1 1 27 27 ILE H H 1 6.626 0.020 . 1 . . . . 36 ILE H . 16893 1 99 . 1 1 27 27 ILE C C 13 175.845 0.3 . 1 . . . . 36 ILE C . 16893 1 100 . 1 1 27 27 ILE CA C 13 63.541 0.3 . 1 . . . . 36 ILE CA . 16893 1 101 . 1 1 27 27 ILE CB C 13 36.492 0.3 . 1 . . . . 36 ILE CB . 16893 1 102 . 1 1 27 27 ILE N N 15 120.681 0.3 . 1 . . . . 36 ILE N . 16893 1 103 . 1 1 28 28 LEU H H 1 7.537 0.020 . 1 . . . . 37 LEU H . 16893 1 104 . 1 1 28 28 LEU C C 13 179.574 0.3 . 1 . . . . 37 LEU C . 16893 1 105 . 1 1 28 28 LEU CA C 13 57.014 0.3 . 1 . . . . 37 LEU CA . 16893 1 106 . 1 1 28 28 LEU CB C 13 38.505 0.3 . 1 . . . . 37 LEU CB . 16893 1 107 . 1 1 28 28 LEU N N 15 117.534 0.3 . 1 . . . . 37 LEU N . 16893 1 108 . 1 1 29 29 HIS H H 1 8.843 0.020 . 1 . . . . 38 HIS H . 16893 1 109 . 1 1 29 29 HIS C C 13 179.278 0.3 . 1 . . . . 38 HIS C . 16893 1 110 . 1 1 29 29 HIS CA C 13 56.552 0.3 . 1 . . . . 38 HIS CA . 16893 1 111 . 1 1 29 29 HIS CB C 13 29.483 0.3 . 1 . . . . 38 HIS CB . 16893 1 112 . 1 1 29 29 HIS N N 15 118.315 0.3 . 1 . . . . 38 HIS N . 16893 1 113 . 1 1 30 30 ALA H H 1 7.848 0.020 . 1 . . . . 39 ALA H . 16893 1 114 . 1 1 30 30 ALA C C 13 178.046 0.3 . 1 . . . . 39 ALA C . 16893 1 115 . 1 1 30 30 ALA CA C 13 54.228 0.3 . 1 . . . . 39 ALA CA . 16893 1 116 . 1 1 30 30 ALA CB C 13 16.92 0.3 . 1 . . . . 39 ALA CB . 16893 1 117 . 1 1 30 30 ALA N N 15 124.613 0.3 . 1 . . . . 39 ALA N . 16893 1 118 . 1 1 31 31 ALA H H 1 7.514 0.020 . 1 . . . . 40 ALA H . 16893 1 119 . 1 1 31 31 ALA C C 13 175.571 0.3 . 1 . . . . 40 ALA C . 16893 1 120 . 1 1 31 31 ALA CA C 13 51.192 0.3 . 1 . . . . 40 ALA CA . 16893 1 121 . 1 1 31 31 ALA CB C 13 20.256 0.3 . 1 . . . . 40 ALA CB . 16893 1 122 . 1 1 31 31 ALA N N 15 118.671 0.3 . 1 . . . . 40 ALA N . 16893 1 123 . 1 1 32 32 GLY H H 1 7.545 0.020 . 1 . . . . 41 GLY H . 16893 1 124 . 1 1 32 32 GLY C C 13 173.829 0.3 . 1 . . . . 41 GLY C . 16893 1 125 . 1 1 32 32 GLY CA C 13 44.059 0.3 . 1 . . . . 41 GLY CA . 16893 1 126 . 1 1 32 32 GLY N N 15 104.531 0.3 . 1 . . . . 41 GLY N . 16893 1 127 . 1 1 33 33 ALA H H 1 7.45 0.020 . 1 . . . . 42 ALA H . 16893 1 128 . 1 1 33 33 ALA C C 13 175.399 0.3 . 1 . . . . 42 ALA C . 16893 1 129 . 1 1 33 33 ALA CA C 13 51.856 0.3 . 1 . . . . 42 ALA CA . 16893 1 130 . 1 1 33 33 ALA CB C 13 18.699 0.3 . 1 . . . . 42 ALA CB . 16893 1 131 . 1 1 33 33 ALA N N 15 124.155 0.3 . 1 . . . . 42 ALA N . 16893 1 132 . 1 1 34 34 GLN H H 1 8.427 0.020 . 1 . . . . 43 GLN H . 16893 1 133 . 1 1 34 34 GLN C C 13 174.913 0.3 . 1 . . . . 43 GLN C . 16893 1 134 . 1 1 34 34 GLN CA C 13 53.754 0.3 . 1 . . . . 43 GLN CA . 16893 1 135 . 1 1 34 34 GLN CB C 13 31.484 0.3 . 1 . . . . 43 GLN CB . 16893 1 136 . 1 1 34 34 GLN N N 15 118.232 0.3 . 1 . . . . 43 GLN N . 16893 1 137 . 1 1 35 35 GLY H H 1 8.413 0.020 . 1 . . . . 44 GLY H . 16893 1 138 . 1 1 35 35 GLY C C 13 173.552 0.3 . 1 . . . . 44 GLY C . 16893 1 139 . 1 1 35 35 GLY CA C 13 43.756 0.3 . 1 . . . . 44 GLY CA . 16893 1 140 . 1 1 35 35 GLY N N 15 108.728 0.3 . 1 . . . . 44 GLY N . 16893 1 141 . 1 1 36 36 GLU H H 1 8.16 0.020 . 1 . . . . 45 GLU H . 16893 1 142 . 1 1 36 36 GLU C C 13 173.52 0.3 . 1 . . . . 45 GLU C . 16893 1 143 . 1 1 36 36 GLU CA C 13 55.983 0.3 . 1 . . . . 45 GLU CA . 16893 1 144 . 1 1 36 36 GLU CB C 13 32.263 0.3 . 1 . . . . 45 GLU CB . 16893 1 145 . 1 1 36 36 GLU N N 15 115.178 0.3 . 1 . . . . 45 GLU N . 16893 1 146 . 1 1 37 37 MET H H 1 6.721 0.020 . 1 . . . . 46 MET H . 16893 1 147 . 1 1 37 37 MET C C 13 174.037 0.3 . 1 . . . . 46 MET C . 16893 1 148 . 1 1 37 37 MET CA C 13 53.326 0.3 . 1 . . . . 46 MET CA . 16893 1 149 . 1 1 37 37 MET CB C 13 34.82 0.3 . 1 . . . . 46 MET CB . 16893 1 150 . 1 1 37 37 MET N N 15 116.107 0.3 . 1 . . . . 46 MET N . 16893 1 151 . 1 1 38 38 PHE H H 1 8.465 0.020 . 1 . . . . 47 PHE H . 16893 1 152 . 1 1 38 38 PHE C C 13 175.152 0.3 . 1 . . . . 47 PHE C . 16893 1 153 . 1 1 38 38 PHE CA C 13 56.471 0.3 . 1 . . . . 47 PHE CA . 16893 1 154 . 1 1 38 38 PHE CB C 13 46.048 0.3 . 1 . . . . 47 PHE CB . 16893 1 155 . 1 1 38 38 PHE N N 15 119.307 0.3 . 1 . . . . 47 PHE N . 16893 1 156 . 1 1 39 39 THR H H 1 9.085 0.020 . 1 . . . . 48 THR H . 16893 1 157 . 1 1 39 39 THR C C 13 175.908 0.3 . 1 . . . . 48 THR C . 16893 1 158 . 1 1 39 39 THR CA C 13 60.254 0.3 . 1 . . . . 48 THR CA . 16893 1 159 . 1 1 39 39 THR CB C 13 70.132 0.3 . 1 . . . . 48 THR CB . 16893 1 160 . 1 1 39 39 THR N N 15 111.829 0.3 . 1 . . . . 48 THR N . 16893 1 161 . 1 1 40 40 VAL H H 1 8.953 0.020 . 1 . . . . 49 VAL H . 16893 1 162 . 1 1 40 40 VAL C C 13 177.094 0.3 . 1 . . . . 49 VAL C . 16893 1 163 . 1 1 40 40 VAL CA C 13 67.503 0.3 . 1 . . . . 49 VAL CA . 16893 1 164 . 1 1 40 40 VAL CB C 13 30.321 0.3 . 1 . . . . 49 VAL CB . 16893 1 165 . 1 1 40 40 VAL N N 15 122.421 0.3 . 1 . . . . 49 VAL N . 16893 1 166 . 1 1 41 41 LYS H H 1 8.052 0.020 . 1 . . . . 50 LYS H . 16893 1 167 . 1 1 41 41 LYS C C 13 179.409 0.3 . 1 . . . . 50 LYS C . 16893 1 168 . 1 1 41 41 LYS CA C 13 59.464 0.3 . 1 . . . . 50 LYS CA . 16893 1 169 . 1 1 41 41 LYS CB C 13 31.744 0.3 . 1 . . . . 50 LYS CB . 16893 1 170 . 1 1 41 41 LYS N N 15 118.904 0.3 . 1 . . . . 50 LYS N . 16893 1 171 . 1 1 42 42 GLU H H 1 7.79 0.020 . 1 . . . . 51 GLU H . 16893 1 172 . 1 1 42 42 GLU C C 13 178.102 0.3 . 1 . . . . 51 GLU C . 16893 1 173 . 1 1 42 42 GLU CA C 13 58.955 0.3 . 1 . . . . 51 GLU CA . 16893 1 174 . 1 1 42 42 GLU CB C 13 30.595 0.3 . 1 . . . . 51 GLU CB . 16893 1 175 . 1 1 42 42 GLU N N 15 120.402 0.3 . 1 . . . . 51 GLU N . 16893 1 176 . 1 1 43 43 VAL H H 1 8.237 0.020 . 1 . . . . 52 VAL H . 16893 1 177 . 1 1 43 43 VAL C C 13 177.14 0.3 . 1 . . . . 52 VAL C . 16893 1 178 . 1 1 43 43 VAL CA C 13 67.083 0.3 . 1 . . . . 52 VAL CA . 16893 1 179 . 1 1 43 43 VAL CB C 13 30.373 0.3 . 1 . . . . 52 VAL CB . 16893 1 180 . 1 1 43 43 VAL N N 15 119.701 0.3 . 1 . . . . 52 VAL N . 16893 1 181 . 1 1 44 44 MET H H 1 8.128 0.020 . 1 . . . . 53 MET H . 16893 1 182 . 1 1 44 44 MET C C 13 179.194 0.3 . 1 . . . . 53 MET C . 16893 1 183 . 1 1 44 44 MET CA C 13 56.647 0.3 . 1 . . . . 53 MET CA . 16893 1 184 . 1 1 44 44 MET CB C 13 29.087 0.3 . 1 . . . . 53 MET CB . 16893 1 185 . 1 1 44 44 MET N N 15 115.659 0.3 . 1 . . . . 53 MET N . 16893 1 186 . 1 1 45 45 HIS H H 1 8.085 0.020 . 1 . . . . 54 HIS H . 16893 1 187 . 1 1 45 45 HIS C C 13 177.973 0.3 . 1 . . . . 54 HIS C . 16893 1 188 . 1 1 45 45 HIS CA C 13 59.304 0.3 . 1 . . . . 54 HIS CA . 16893 1 189 . 1 1 45 45 HIS N N 15 121.751 0.3 . 1 . . . . 54 HIS N . 16893 1 190 . 1 1 46 46 TYR H H 1 8.479 0.020 . 1 . . . . 55 TYR H . 16893 1 191 . 1 1 46 46 TYR CA C 13 62.946 0.3 . 1 . . . . 55 TYR CA . 16893 1 192 . 1 1 46 46 TYR CB C 13 38.155 0.3 . 1 . . . . 55 TYR CB . 16893 1 193 . 1 1 46 46 TYR N N 15 118.412 0.3 . 1 . . . . 55 TYR N . 16893 1 194 . 1 1 47 47 LEU C C 13 178.116 0.3 . 1 . . . . 56 LEU C . 16893 1 195 . 1 1 47 47 LEU CA C 13 57.643 0.3 . 1 . . . . 56 LEU CA . 16893 1 196 . 1 1 48 48 GLY H H 1 7.663 0.020 . 1 . . . . 57 GLY H . 16893 1 197 . 1 1 48 48 GLY C C 13 176.421 0.3 . 1 . . . . 57 GLY C . 16893 1 198 . 1 1 48 48 GLY CA C 13 46.654 0.3 . 1 . . . . 57 GLY CA . 16893 1 199 . 1 1 48 48 GLY N N 15 105.294 0.3 . 1 . . . . 57 GLY N . 16893 1 200 . 1 1 49 49 GLN H H 1 7.775 0.020 . 1 . . . . 58 GLN H . 16893 1 201 . 1 1 49 49 GLN C C 13 177.542 0.3 . 1 . . . . 58 GLN C . 16893 1 202 . 1 1 49 49 GLN CA C 13 57.738 0.3 . 1 . . . . 58 GLN CA . 16893 1 203 . 1 1 49 49 GLN CB C 13 28.149 0.3 . 1 . . . . 58 GLN CB . 16893 1 204 . 1 1 49 49 GLN N N 15 121.094 0.3 . 1 . . . . 58 GLN N . 16893 1 205 . 1 1 50 50 TYR H H 1 8.486 0.020 . 1 . . . . 59 TYR H . 16893 1 206 . 1 1 50 50 TYR CA C 13 61.77 0.3 . 1 . . . . 59 TYR CA . 16893 1 207 . 1 1 50 50 TYR CB C 13 37.821 0.3 . 1 . . . . 59 TYR CB . 16893 1 208 . 1 1 50 50 TYR N N 15 121.645 0.3 . 1 . . . . 59 TYR N . 16893 1 209 . 1 1 51 51 ILE C C 13 176.594 0.3 . 1 . . . . 60 ILE C . 16893 1 210 . 1 1 51 51 ILE CA C 13 65.138 0.3 . 1 . . . . 60 ILE CA . 16893 1 211 . 1 1 51 51 ILE CB C 13 37.821 0.3 . 1 . . . . 60 ILE CB . 16893 1 212 . 1 1 52 52 MET H H 1 7.609 0.020 . 1 . . . . 61 MET H . 16893 1 213 . 1 1 52 52 MET CA C 13 59.067 0.3 . 1 . . . . 61 MET CA . 16893 1 214 . 1 1 52 52 MET CB C 13 32.707 0.3 . 1 . . . . 61 MET CB . 16893 1 215 . 1 1 52 52 MET N N 15 116.903 0.3 . 1 . . . . 61 MET N . 16893 1 216 . 1 1 53 53 VAL CA C 13 65.328 0.3 . 1 . . . . 62 VAL CA . 16893 1 217 . 1 1 53 53 VAL CB C 13 30.929 0.3 . 1 . . . . 62 VAL CB . 16893 1 218 . 1 1 54 54 LYS C C 13 174.338 0.3 . 1 . . . . 63 LYS C . 16893 1 219 . 1 1 55 55 GLN H H 1 7.522 0.020 . 1 . . . . 64 GLN H . 16893 1 220 . 1 1 55 55 GLN CA C 13 55.983 0.3 . 1 . . . . 64 GLN CA . 16893 1 221 . 1 1 55 55 GLN CB C 13 25.37 0.3 . 1 . . . . 64 GLN CB . 16893 1 222 . 1 1 55 55 GLN N N 15 115.842 0.3 . 1 . . . . 64 GLN N . 16893 1 223 . 1 1 56 56 LEU CA C 13 54.465 0.3 . 1 . . . . 65 LEU CA . 16893 1 224 . 1 1 56 56 LEU CB C 13 41.49 0.3 . 1 . . . . 65 LEU CB . 16893 1 225 . 1 1 57 57 TYR C C 13 175.3 0.3 . 1 . . . . 66 TYR C . 16893 1 226 . 1 1 58 58 ASP H H 1 8.207 0.020 . 1 . . . . 67 ASP H . 16893 1 227 . 1 1 58 58 ASP CA C 13 53.152 0.3 . 1 . . . . 67 ASP CA . 16893 1 228 . 1 1 58 58 ASP N N 15 126.525 0.3 . 1 . . . . 67 ASP N . 16893 1 229 . 1 1 59 59 GLN CA C 13 58.45 0.3 . 1 . . . . 68 GLN CA . 16893 1 230 . 1 1 59 59 GLN CB C 13 27.758 0.3 . 1 . . . . 68 GLN CB . 16893 1 231 . 1 1 60 60 GLN CA C 13 56.315 0.3 . 1 . . . . 69 GLN CA . 16893 1 232 . 1 1 60 60 GLN CB C 13 29.087 0.3 . 1 . . . . 69 GLN CB . 16893 1 233 . 1 1 61 61 GLU C C 13 175.243 0.3 . 1 . . . . 70 GLU C . 16893 1 234 . 1 1 62 62 GLN H H 1 8.065 0.020 . 1 . . . . 71 GLN H . 16893 1 235 . 1 1 62 62 GLN CA C 13 58.023 0.3 . 1 . . . . 71 GLN CA . 16893 1 236 . 1 1 62 62 GLN N N 15 119.799 0.3 . 1 . . . . 71 GLN N . 16893 1 237 . 1 1 63 63 HIS CA C 13 54.987 0.3 . 1 . . . . 72 HIS CA . 16893 1 238 . 1 1 63 63 HIS CB C 13 30.817 0.3 . 1 . . . . 72 HIS CB . 16893 1 239 . 1 1 64 64 MET CA C 13 52.163 0.3 . 1 . . . . 73 MET CA . 16893 1 240 . 1 1 64 64 MET CB C 13 30.15 0.3 . 1 . . . . 73 MET CB . 16893 1 241 . 1 1 65 65 VAL CA C 13 60.679 0.3 . 1 . . . . 74 VAL CA . 16893 1 242 . 1 1 65 65 VAL CB C 13 31.484 0.3 . 1 . . . . 74 VAL CB . 16893 1 243 . 1 1 66 66 TYR C C 13 176.126 0.3 . 1 . . . . 75 TYR C . 16893 1 244 . 1 1 66 66 TYR CA C 13 57.406 0.3 . 1 . . . . 75 TYR CA . 16893 1 245 . 1 1 67 67 CYS H H 1 8.184 0.020 . 1 . . . . 76 CYS H . 16893 1 246 . 1 1 67 67 CYS CA C 13 56.322 0.3 . 1 . . . . 76 CYS CA . 16893 1 247 . 1 1 67 67 CYS CB C 13 29.261 0.3 . 1 . . . . 76 CYS CB . 16893 1 248 . 1 1 67 67 CYS N N 15 117.1 0.3 . 1 . . . . 76 CYS N . 16893 1 249 . 1 1 68 68 GLY CA C 13 46.354 0.3 . 1 . . . . 77 GLY CA . 16893 1 250 . 1 1 69 69 GLY C C 13 172.332 0.3 . 1 . . . . 78 GLY C . 16893 1 251 . 1 1 69 69 GLY CA C 13 44.883 0.3 . 1 . . . . 78 GLY CA . 16893 1 252 . 1 1 70 70 ASP H H 1 7.627 0.020 . 1 . . . . 79 ASP H . 16893 1 253 . 1 1 70 70 ASP CA C 13 52.426 0.3 . 1 . . . . 79 ASP CA . 16893 1 254 . 1 1 70 70 ASP CB C 13 46.16 0.3 . 1 . . . . 79 ASP CB . 16893 1 255 . 1 1 70 70 ASP N N 15 120.272 0.3 . 1 . . . . 79 ASP N . 16893 1 256 . 1 1 71 71 LEU C C 13 178.501 0.3 . 1 . . . . 80 LEU C . 16893 1 257 . 1 1 71 71 LEU CA C 13 57.691 0.3 . 1 . . . . 80 LEU CA . 16893 1 258 . 1 1 71 71 LEU CB C 13 41.824 0.3 . 1 . . . . 80 LEU CB . 16893 1 259 . 1 1 72 72 LEU H H 1 9.802 0.020 . 1 . . . . 81 LEU H . 16893 1 260 . 1 1 72 72 LEU CA C 13 57.691 0.3 . 1 . . . . 81 LEU CA . 16893 1 261 . 1 1 72 72 LEU CB C 13 41.713 0.3 . 1 . . . . 81 LEU CB . 16893 1 262 . 1 1 72 72 LEU N N 15 119.118 0.3 . 1 . . . . 81 LEU N . 16893 1 263 . 1 1 73 73 GLY C C 13 176.213 0.3 . 1 . . . . 82 GLY C . 16893 1 264 . 1 1 73 73 GLY CA C 13 47.169 0.3 . 1 . . . . 82 GLY CA . 16893 1 265 . 1 1 74 74 GLU H H 1 7.385 0.020 . 1 . . . . 83 GLU H . 16893 1 266 . 1 1 74 74 GLU C C 13 178.517 0.3 . 1 . . . . 83 GLU C . 16893 1 267 . 1 1 74 74 GLU CA C 13 58.121 0.3 . 1 . . . . 83 GLU CA . 16893 1 268 . 1 1 74 74 GLU CB C 13 28.816 0.3 . 1 . . . . 83 GLU CB . 16893 1 269 . 1 1 74 74 GLU N N 15 122.219 0.3 . 1 . . . . 83 GLU N . 16893 1 270 . 1 1 75 75 LEU H H 1 7.618 0.020 . 1 . . . . 84 LEU H . 16893 1 271 . 1 1 75 75 LEU C C 13 178.366 0.3 . 1 . . . . 84 LEU C . 16893 1 272 . 1 1 75 75 LEU CA C 13 56.505 0.3 . 1 . . . . 84 LEU CA . 16893 1 273 . 1 1 75 75 LEU CB C 13 41.601 0.3 . 1 . . . . 84 LEU CB . 16893 1 274 . 1 1 75 75 LEU N N 15 119.012 0.3 . 1 . . . . 84 LEU N . 16893 1 275 . 1 1 76 76 LEU H H 1 7.936 0.020 . 1 . . . . 85 LEU H . 16893 1 276 . 1 1 76 76 LEU C C 13 177.262 0.3 . 1 . . . . 85 LEU C . 16893 1 277 . 1 1 76 76 LEU CA C 13 55.215 0.3 . 1 . . . . 85 LEU CA . 16893 1 278 . 1 1 76 76 LEU CB C 13 43.158 0.3 . 1 . . . . 85 LEU CB . 16893 1 279 . 1 1 76 76 LEU N N 15 115.766 0.3 . 1 . . . . 85 LEU N . 16893 1 280 . 1 1 77 77 GLY H H 1 7.85 0.020 . 1 . . . . 86 GLY H . 16893 1 281 . 1 1 77 77 GLY CA C 13 45.547 0.3 . 1 . . . . 86 GLY CA . 16893 1 282 . 1 1 77 77 GLY N N 15 108.32 0.3 . 1 . . . . 86 GLY N . 16893 1 283 . 1 1 86 86 PRO C C 13 176.637 0.3 . 1 . . . . 95 PRO C . 16893 1 284 . 1 1 86 86 PRO CA C 13 62.599 0.3 . 1 . . . . 95 PRO CA . 16893 1 285 . 1 1 86 86 PRO CB C 13 31.151 0.3 . 1 . . . . 95 PRO CB . 16893 1 286 . 1 1 87 87 SER H H 1 8.037 0.020 . 1 . . . . 96 SER H . 16893 1 287 . 1 1 87 87 SER CA C 13 63.472 0.3 . 1 . . . . 96 SER CA . 16893 1 288 . 1 1 87 87 SER CB C 13 60.946 0.3 . 1 . . . . 96 SER CB . 16893 1 289 . 1 1 87 87 SER N N 15 119.273 0.3 . 1 . . . . 96 SER N . 16893 1 290 . 1 1 88 88 PRO C C 13 177.876 0.3 . 1 . . . . 97 PRO C . 16893 1 291 . 1 1 88 88 PRO CA C 13 64.845 0.3 . 1 . . . . 97 PRO CA . 16893 1 292 . 1 1 89 89 LEU H H 1 7.1 0.020 . 1 . . . . 98 LEU H . 16893 1 293 . 1 1 89 89 LEU C C 13 177.648 0.3 . 1 . . . . 98 LEU C . 16893 1 294 . 1 1 89 89 LEU CA C 13 56.695 0.3 . 1 . . . . 98 LEU CA . 16893 1 295 . 1 1 89 89 LEU CB C 13 40.823 0.3 . 1 . . . . 98 LEU CB . 16893 1 296 . 1 1 89 89 LEU N N 15 115.579 0.3 . 1 . . . . 98 LEU N . 16893 1 297 . 1 1 90 90 TYR H H 1 7.442 0.020 . 1 . . . . 99 TYR H . 16893 1 298 . 1 1 90 90 TYR C C 13 177.974 0.3 . 1 . . . . 99 TYR C . 16893 1 299 . 1 1 90 90 TYR CA C 13 60.822 0.3 . 1 . . . . 99 TYR CA . 16893 1 300 . 1 1 90 90 TYR CB C 13 36.703 0.3 . 1 . . . . 99 TYR CB . 16893 1 301 . 1 1 90 90 TYR N N 15 118.938 0.3 . 1 . . . . 99 TYR N . 16893 1 302 . 1 1 91 91 ASP H H 1 8.097 0.020 . 1 . . . . 100 ASP H . 16893 1 303 . 1 1 91 91 ASP C C 13 177.355 0.3 . 1 . . . . 100 ASP C . 16893 1 304 . 1 1 91 91 ASP CA C 13 56.857 0.3 . 1 . . . . 100 ASP CA . 16893 1 305 . 1 1 91 91 ASP CB C 13 40.267 0.3 . 1 . . . . 100 ASP CB . 16893 1 306 . 1 1 91 91 ASP N N 15 119.977 0.3 . 1 . . . . 100 ASP N . 16893 1 307 . 1 1 92 92 MET H H 1 7.209 0.020 . 1 . . . . 101 MET H . 16893 1 308 . 1 1 92 92 MET C C 13 178.953 0.3 . 1 . . . . 101 MET C . 16893 1 309 . 1 1 92 92 MET CA C 13 58.231 0.3 . 1 . . . . 101 MET CA . 16893 1 310 . 1 1 92 92 MET CB C 13 30.484 0.3 . 1 . . . . 101 MET CB . 16893 1 311 . 1 1 92 92 MET N N 15 119.08 0.3 . 1 . . . . 101 MET N . 16893 1 312 . 1 1 93 93 LEU H H 1 8.198 0.020 . 1 . . . . 102 LEU H . 16893 1 313 . 1 1 93 93 LEU C C 13 178.105 0.3 . 1 . . . . 102 LEU C . 16893 1 314 . 1 1 93 93 LEU CA C 13 58.023 0.3 . 1 . . . . 102 LEU CA . 16893 1 315 . 1 1 93 93 LEU CB C 13 40.712 0.3 . 1 . . . . 102 LEU CB . 16893 1 316 . 1 1 93 93 LEU N N 15 122.464 0.3 . 1 . . . . 102 LEU N . 16893 1 317 . 1 1 94 94 ARG H H 1 7.783 0.020 . 1 . . . . 103 ARG H . 16893 1 318 . 1 1 94 94 ARG C C 13 178.04 0.3 . 1 . . . . 103 ARG C . 16893 1 319 . 1 1 94 94 ARG N N 15 117.29 0.3 . 1 . . . . 103 ARG N . 16893 1 320 . 1 1 95 95 LYS H H 1 7.065 0.020 . 1 . . . . 104 LYS H . 16893 1 321 . 1 1 95 95 LYS C C 13 175.44 0.3 . 1 . . . . 104 LYS C . 16893 1 322 . 1 1 95 95 LYS CA C 13 56.736 0.3 . 1 . . . . 104 LYS CA . 16893 1 323 . 1 1 95 95 LYS N N 15 115.012 0.3 . 1 . . . . 104 LYS N . 16893 1 324 . 1 1 96 96 ASN H H 1 7.609 0.020 . 1 . . . . 105 ASN H . 16893 1 325 . 1 1 96 96 ASN C C 13 172.157 0.3 . 1 . . . . 105 ASN C . 16893 1 326 . 1 1 96 96 ASN CA C 13 53.773 0.3 . 1 . . . . 105 ASN CA . 16893 1 327 . 1 1 96 96 ASN CB C 13 41.045 0.3 . 1 . . . . 105 ASN CB . 16893 1 328 . 1 1 96 96 ASN N N 15 116.842 0.3 . 1 . . . . 105 ASN N . 16893 1 329 . 1 1 97 97 LEU H H 1 7.42 0.020 . 1 . . . . 106 LEU H . 16893 1 330 . 1 1 97 97 LEU CA C 13 53.69 0.3 . 1 . . . . 106 LEU CA . 16893 1 331 . 1 1 97 97 LEU CB C 13 42.491 0.3 . 1 . . . . 106 LEU CB . 16893 1 332 . 1 1 97 97 LEU N N 15 119.049 0.3 . 1 . . . . 106 LEU N . 16893 1 333 . 1 1 99 99 THR C C 13 173.533 0.3 . 1 . . . . 108 THR C . 16893 1 334 . 1 1 99 99 THR CA C 13 61.554 0.3 . 1 . . . . 108 THR CA . 16893 1 335 . 1 1 99 99 THR CB C 13 69.174 0.3 . 1 . . . . 108 THR CB . 16893 1 336 . 1 1 100 100 LEU H H 1 8.186 0.020 . 1 . . . . 109 LEU H . 16893 1 337 . 1 1 100 100 LEU CA C 13 54.276 0.3 . 1 . . . . 109 LEU CA . 16893 1 338 . 1 1 100 100 LEU CB C 13 41.601 0.3 . 1 . . . . 109 LEU CB . 16893 1 339 . 1 1 100 100 LEU N N 15 126.112 0.3 . 1 . . . . 109 LEU N . 16893 1 340 . 1 1 101 101 ALA H H 1 8.124 0.020 . 1 . . . . 110 ALA H . 16893 1 341 . 1 1 101 101 ALA CA C 13 51.667 0.3 . 1 . . . . 110 ALA CA . 16893 1 342 . 1 1 101 101 ALA CB C 13 18.922 0.3 . 1 . . . . 110 ALA CB . 16893 1 343 . 1 1 101 101 ALA N N 15 125.736 0.3 . 1 . . . . 110 ALA N . 16893 1 344 . 1 1 102 102 THR H H 1 7.539 0.020 . 1 . . . . 111 THR H . 16893 1 345 . 1 1 102 102 THR CA C 13 62.432 0.3 . 1 . . . . 111 THR CA . 16893 1 346 . 1 1 102 102 THR CB C 13 70.285 0.3 . 1 . . . . 111 THR CB . 16893 1 347 . 1 1 102 102 THR N N 15 118.891 0.3 . 1 . . . . 111 THR N . 16893 1 stop_ save_