data_19125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19125 _Entry.Title ; Molecular Basis of Histone Acetyllysine Recognition by the BRPF1 Bromodomain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-28 _Entry.Accession_date 2013-03-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Amanda Poplawski . . . 19125 2 Kaifeng Hu . . . 19125 3 Woonghee Lee . . . 19125 4 Danni Peng . . . 19125 5 Samuel Carlson . . . 19125 6 Elizabeth Neuhardt . . . 19125 7 Xiaobing Shi . . . 19125 8 John Markley . L. . 19125 9 Karen Glass . C. . 19125 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'ACPHS: Glass group' . 19125 2 . 'National Magnetic Resonance Facilities At Madison' . 19125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 19125 '15N chemical shifts' 99 19125 '1H chemical shifts' 99 19125 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 . . 2014-05-04 2013-03-28 update BMRB 'update entry citation' 19125 1 . . 2014-02-12 2013-03-28 original author 'original release' 19125 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9E 'solution structure of the bromodomain of Peregrin' 19125 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24333487 _Citation.Full_citation . _Citation.Title 'Molecular Insights into the Recognition of N-Terminal Histone Modifications by the BRPF1 Bromodomain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 8 _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 1661 _Citation.Page_last 1676 _Citation.Year 2014 _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 Amanda Poplawski . . . 19125 1 2 Kaifeng Hu . . . 19125 1 3 Woonghee Lee . . . 19125 1 4 Senthil Natesan . . . 19125 1 5 Danni Peng . . . 19125 1 6 Samuel Carlson . . . 19125 1 7 Xiaobing Shi . . . 19125 1 8 Stefan Balaz . . . 19125 1 9 John Markley . L. . 19125 1 10 Karen Glass . C. . 19125 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'binding affinity' 19125 1 bromodomain 19125 1 Epigenetics 19125 1 'histone acetyltransferase' 19125 1 'nuclear magnetic resonance' 19125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19125 _Assembly.ID 1 _Assembly.Name 'BRPF1 momomer' _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 . _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 BRPF1 1 $BRPF1_bromodomain A . yes native no no . . . 19125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRPF1_bromodomain _Entity.Sf_category entity _Entity.Sf_framecode BRPF1_bromodomain _Entity.Entry_ID 19125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BRPF1_bromodomain _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 ; GPLQLTPFLILLRKTLEQLQ EKDTGNIFSEPVPLSEVPDY LDHIKKPMDFFTMKQNLEAY RYLNFDDFEEDFNLIVSNCL KYNAKDTIFYRAAVRLREQG GAVLRQARRQAEKMGID ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 4LC2 . "Crystal Structure Of The Bromodomain Of Human Brpf1b" . . . . . 96.58 116 99.12 100.00 9.03e-76 . . . . 19125 1 2 no PDB 4QYD . "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With A Histone H4k12ac Peptide" . . . . . 100.00 117 100.00 100.00 2.80e-79 . . . . 19125 1 3 no PDB 4QYL . "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With A Histone H2ak5ac Peptide" . . . . . 100.00 117 100.00 100.00 2.80e-79 . . . . 19125 1 4 no PDB 4UYE . "Bromodomain Of Human Brpf1 With N-1,3-dimethyl-2-oxo-6-( Piperidin-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-5-yl-2- Methoxybenzamid" . . . . . 94.87 118 99.10 100.00 7.56e-74 . . . . 19125 1 5 no PDB 5C7N . "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With Bromosporine" . . . . . 96.58 116 99.12 100.00 9.03e-76 . . . . 19125 1 6 no DBJ BAC31528 . "unnamed protein product [Mus musculus]" . . . . . 98.29 807 99.13 100.00 3.82e-70 . . . . 19125 1 7 no DBJ BAE33691 . "unnamed protein product [Mus musculus]" . . . . . 98.29 1247 99.13 100.00 1.21e-69 . . . . 19125 1 8 no DBJ BAG10583 . "peregrin [synthetic construct]" . . . . . 98.29 1214 99.13 100.00 1.01e-69 . . . . 19125 1 9 no DBJ BAG57257 . "unnamed protein product [Homo sapiens]" . . . . . 98.29 1119 99.13 100.00 4.86e-70 . . . . 19125 1 10 no EMBL CAD28495 . "hypothetical protein [Homo sapiens]" . . . . . 98.29 1213 99.13 100.00 1.01e-69 . . . . 19125 1 11 no GB AAB02119 . "Br140 [Homo sapiens]" . . . . . 98.29 1214 98.26 100.00 2.84e-69 . . . . 19125 1 12 no GB AAF19605 . "putative 8-hydroxyguanine DNA glycosylase [Homo sapiens]" . . . . . 98.29 1214 99.13 100.00 1.01e-69 . . . . 19125 1 13 no GB AAH05647 . "Brpf1 protein, partial [Mus musculus]" . . . . . 98.29 706 99.13 100.00 4.05e-70 . . . . 19125 1 14 no GB AAH46521 . "Bromodomain and PHD finger containing, 1 [Mus musculus]" . . . . . 98.29 1246 99.13 100.00 1.21e-69 . . . . 19125 1 15 no GB AAI38362 . "Brpf1 protein [Mus musculus]" . . . . . 98.29 1212 99.13 100.00 1.11e-69 . . . . 19125 1 16 no REF NP_001178501 . "peregrin [Rattus norvegicus]" . . . . . 98.29 1246 99.13 100.00 1.21e-69 . . . . 19125 1 17 no REF NP_001269055 . "peregrin isoform 1 [Mus musculus]" . . . . . 98.29 1247 99.13 100.00 1.21e-69 . . . . 19125 1 18 no REF NP_001269056 . "peregrin isoform 3 [Mus musculus]" . . . . . 98.29 1212 99.13 100.00 1.11e-69 . . . . 19125 1 19 no REF NP_004625 . "peregrin isoform 2 [Homo sapiens]" . . . . . 98.29 1214 99.13 100.00 1.01e-69 . . . . 19125 1 20 no REF NP_084454 . "peregrin isoform 2 [Mus musculus]" . . . . . 98.29 1246 99.13 100.00 1.21e-69 . . . . 19125 1 21 no SP P55201 . "RecName: Full=Peregrin; AltName: Full=Bromodomain and PHD finger-containing protein 1; AltName: Full=Protein Br140" . . . . . 98.29 1214 99.13 100.00 1.01e-69 . . . . 19125 1 22 no TPG DAA17219 . "TPA: bromodomain and PHD finger containing, 1-like isoform 2 [Bos taurus]" . . . . . 98.29 1213 99.13 100.00 1.11e-69 . . . . 19125 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 1 GLY . 19125 1 2 2 PRO . 19125 1 3 3 LEU . 19125 1 4 4 GLN . 19125 1 5 5 LEU . 19125 1 6 6 THR . 19125 1 7 7 PRO . 19125 1 8 8 PHE . 19125 1 9 9 LEU . 19125 1 10 10 ILE . 19125 1 11 11 LEU . 19125 1 12 12 LEU . 19125 1 13 13 ARG . 19125 1 14 14 LYS . 19125 1 15 15 THR . 19125 1 16 16 LEU . 19125 1 17 17 GLU . 19125 1 18 18 GLN . 19125 1 19 19 LEU . 19125 1 20 20 GLN . 19125 1 21 21 GLU . 19125 1 22 22 LYS . 19125 1 23 23 ASP . 19125 1 24 24 THR . 19125 1 25 25 GLY . 19125 1 26 26 ASN . 19125 1 27 27 ILE . 19125 1 28 28 PHE . 19125 1 29 29 SER . 19125 1 30 30 GLU . 19125 1 31 31 PRO . 19125 1 32 32 VAL . 19125 1 33 33 PRO . 19125 1 34 34 LEU . 19125 1 35 35 SER . 19125 1 36 36 GLU . 19125 1 37 37 VAL . 19125 1 38 38 PRO . 19125 1 39 39 ASP . 19125 1 40 40 TYR . 19125 1 41 41 LEU . 19125 1 42 42 ASP . 19125 1 43 43 HIS . 19125 1 44 44 ILE . 19125 1 45 45 LYS . 19125 1 46 46 LYS . 19125 1 47 47 PRO . 19125 1 48 48 MET . 19125 1 49 49 ASP . 19125 1 50 50 PHE . 19125 1 51 51 PHE . 19125 1 52 52 THR . 19125 1 53 53 MET . 19125 1 54 54 LYS . 19125 1 55 55 GLN . 19125 1 56 56 ASN . 19125 1 57 57 LEU . 19125 1 58 58 GLU . 19125 1 59 59 ALA . 19125 1 60 60 TYR . 19125 1 61 61 ARG . 19125 1 62 62 TYR . 19125 1 63 63 LEU . 19125 1 64 64 ASN . 19125 1 65 65 PHE . 19125 1 66 66 ASP . 19125 1 67 67 ASP . 19125 1 68 68 PHE . 19125 1 69 69 GLU . 19125 1 70 70 GLU . 19125 1 71 71 ASP . 19125 1 72 72 PHE . 19125 1 73 73 ASN . 19125 1 74 74 LEU . 19125 1 75 75 ILE . 19125 1 76 76 VAL . 19125 1 77 77 SER . 19125 1 78 78 ASN . 19125 1 79 79 CYS . 19125 1 80 80 LEU . 19125 1 81 81 LYS . 19125 1 82 82 TYR . 19125 1 83 83 ASN . 19125 1 84 84 ALA . 19125 1 85 85 LYS . 19125 1 86 86 ASP . 19125 1 87 87 THR . 19125 1 88 88 ILE . 19125 1 89 89 PHE . 19125 1 90 90 TYR . 19125 1 91 91 ARG . 19125 1 92 92 ALA . 19125 1 93 93 ALA . 19125 1 94 94 VAL . 19125 1 95 95 ARG . 19125 1 96 96 LEU . 19125 1 97 97 ARG . 19125 1 98 98 GLU . 19125 1 99 99 GLN . 19125 1 100 100 GLY . 19125 1 101 101 GLY . 19125 1 102 102 ALA . 19125 1 103 103 VAL . 19125 1 104 104 LEU . 19125 1 105 105 ARG . 19125 1 106 106 GLN . 19125 1 107 107 ALA . 19125 1 108 108 ARG . 19125 1 109 109 ARG . 19125 1 110 110 GLN . 19125 1 111 111 ALA . 19125 1 112 112 GLU . 19125 1 113 113 LYS . 19125 1 114 114 MET . 19125 1 115 115 GLY . 19125 1 116 116 ILE . 19125 1 117 117 ASP . 19125 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 19125 1 . PRO 2 2 19125 1 . LEU 3 3 19125 1 . GLN 4 4 19125 1 . LEU 5 5 19125 1 . THR 6 6 19125 1 . PRO 7 7 19125 1 . PHE 8 8 19125 1 . LEU 9 9 19125 1 . ILE 10 10 19125 1 . LEU 11 11 19125 1 . LEU 12 12 19125 1 . ARG 13 13 19125 1 . LYS 14 14 19125 1 . THR 15 15 19125 1 . LEU 16 16 19125 1 . GLU 17 17 19125 1 . GLN 18 18 19125 1 . LEU 19 19 19125 1 . GLN 20 20 19125 1 . GLU 21 21 19125 1 . LYS 22 22 19125 1 . ASP 23 23 19125 1 . THR 24 24 19125 1 . GLY 25 25 19125 1 . ASN 26 26 19125 1 . ILE 27 27 19125 1 . PHE 28 28 19125 1 . SER 29 29 19125 1 . GLU 30 30 19125 1 . PRO 31 31 19125 1 . VAL 32 32 19125 1 . PRO 33 33 19125 1 . LEU 34 34 19125 1 . SER 35 35 19125 1 . GLU 36 36 19125 1 . VAL 37 37 19125 1 . PRO 38 38 19125 1 . ASP 39 39 19125 1 . TYR 40 40 19125 1 . LEU 41 41 19125 1 . ASP 42 42 19125 1 . HIS 43 43 19125 1 . ILE 44 44 19125 1 . LYS 45 45 19125 1 . LYS 46 46 19125 1 . PRO 47 47 19125 1 . MET 48 48 19125 1 . ASP 49 49 19125 1 . PHE 50 50 19125 1 . PHE 51 51 19125 1 . THR 52 52 19125 1 . MET 53 53 19125 1 . LYS 54 54 19125 1 . GLN 55 55 19125 1 . ASN 56 56 19125 1 . LEU 57 57 19125 1 . GLU 58 58 19125 1 . ALA 59 59 19125 1 . TYR 60 60 19125 1 . ARG 61 61 19125 1 . TYR 62 62 19125 1 . LEU 63 63 19125 1 . ASN 64 64 19125 1 . PHE 65 65 19125 1 . ASP 66 66 19125 1 . ASP 67 67 19125 1 . PHE 68 68 19125 1 . GLU 69 69 19125 1 . GLU 70 70 19125 1 . ASP 71 71 19125 1 . PHE 72 72 19125 1 . ASN 73 73 19125 1 . LEU 74 74 19125 1 . ILE 75 75 19125 1 . VAL 76 76 19125 1 . SER 77 77 19125 1 . ASN 78 78 19125 1 . CYS 79 79 19125 1 . LEU 80 80 19125 1 . LYS 81 81 19125 1 . TYR 82 82 19125 1 . ASN 83 83 19125 1 . ALA 84 84 19125 1 . LYS 85 85 19125 1 . ASP 86 86 19125 1 . THR 87 87 19125 1 . ILE 88 88 19125 1 . PHE 89 89 19125 1 . TYR 90 90 19125 1 . ARG 91 91 19125 1 . ALA 92 92 19125 1 . ALA 93 93 19125 1 . VAL 94 94 19125 1 . ARG 95 95 19125 1 . LEU 96 96 19125 1 . ARG 97 97 19125 1 . GLU 98 98 19125 1 . GLN 99 99 19125 1 . GLY 100 100 19125 1 . GLY 101 101 19125 1 . ALA 102 102 19125 1 . VAL 103 103 19125 1 . LEU 104 104 19125 1 . ARG 105 105 19125 1 . GLN 106 106 19125 1 . ALA 107 107 19125 1 . ARG 108 108 19125 1 . ARG 109 109 19125 1 . GLN 110 110 19125 1 . ALA 111 111 19125 1 . GLU 112 112 19125 1 . LYS 113 113 19125 1 . MET 114 114 19125 1 . GLY 115 115 19125 1 . ILE 116 116 19125 1 . ASP 117 117 19125 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 19125 _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 $BRPF1_bromodomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19125 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 19125 _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 $BRPF1_bromodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST15 . . . . . . 19125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Tris HCl' 'natural abundance' . . . . . . 20 . . mM . . . . 19125 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19125 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19125 1 4 BRPF1_bromodomain '[U-13C; U-15N]' . . 1 $BRPF1_bromodomain . . 0 . . mM . . . . 19125 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19125 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19125 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 19125 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 19125 1 pressure 1 . atm 19125 1 temperature 298 . K 19125 1 stop_ save_ ############################ # Computer software used # ############################ save_ADAPT-NMR _Software.Sf_category software _Software.Sf_framecode ADAPT-NMR _Software.Entry_ID 19125 _Software.ID 1 _Software.Name ADAPT-NMR _Software.Version . _Software.Details 'ADAPT-NMR on Bruker for reduced dimensionality' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID (ADAPT-NMR)-NMRFAM . . 19125 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19125 1 collection 19125 1 'peak picking' 19125 1 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 19125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19125 _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 III' . 500 . . . 19125 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 19125 _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 . . . . . . . . . . . . . . . . 19125 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19125 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 19125 _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 water 'methyl carbons' . . . . ppm 0.00 internal direct 1.00000 . . . . . . . . . 19125 1 H 1 water protons . . . . ppm 0.00 internal direct 1.00000 . . . . . . . . . 19125 1 N 15 water nitrogen . . . . ppm 0.00 internal direct 1.00000 . . . . . . . . . 19125 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 19125 _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' . . . 19125 1 2 '3D HNCO' . . . 19125 1 3 '3D HN(CO)CA' . . . 19125 1 4 '3D HNCA' . . . 19125 1 6 '3D CBCA(CO)NH' . . . 19125 1 8 '3D HN(CA)CO' . . . 19125 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 2 2 PRO C C 13 174.324 0.20 . 1 . . . . 2 PRO C . 19125 1 2 . 1 1 2 2 PRO CA C 13 60.300 0.200 . 1 . . . . 2 PRO CA . 19125 1 3 . 1 1 2 2 PRO CB C 13 29.300 0.200 . 1 . . . . 2 PRO CB . 19125 1 4 . 1 1 3 3 LEU H H 1 8.376 0.02 . 1 . . . . 3 LEU H . 19125 1 5 . 1 1 3 3 LEU C C 13 174.828 0.20 . 1 . . . . 3 LEU C . 19125 1 6 . 1 1 3 3 LEU CA C 13 52.900 0.200 . 1 . . . . 3 LEU CA . 19125 1 7 . 1 1 3 3 LEU CB C 13 39.300 0.200 . 1 . . . . 3 LEU CB . 19125 1 8 . 1 1 3 3 LEU N N 15 122.392 0.20 . 1 . . . . 3 LEU N . 19125 1 9 . 1 1 4 4 GLN H H 1 8.243 0.02 . 1 . . . . 4 GLN H . 19125 1 10 . 1 1 4 4 GLN C C 13 172.963 0.20 . 1 . . . . 4 GLN C . 19125 1 11 . 1 1 4 4 GLN CA C 13 52.700 0.200 . 1 . . . . 4 GLN CA . 19125 1 12 . 1 1 4 4 GLN CB C 13 26.200 0.200 . 1 . . . . 4 GLN CB . 19125 1 13 . 1 1 4 4 GLN N N 15 121.278 0.20 . 1 . . . . 4 GLN N . 19125 1 14 . 1 1 5 5 LEU H H 1 8.149 0.02 . 1 . . . . 5 LEU H . 19125 1 15 . 1 1 5 5 LEU C C 13 174.185 0.20 . 1 . . . . 5 LEU C . 19125 1 16 . 1 1 5 5 LEU CA C 13 55.500 0.200 . 1 . . . . 5 LEU CA . 19125 1 17 . 1 1 5 5 LEU N N 15 123.013 0.20 . 1 . . . . 5 LEU N . 19125 1 18 . 1 1 6 6 THR H H 1 8.016 0.02 . 1 . . . . 6 THR H . 19125 1 19 . 1 1 6 6 THR N N 15 119.734 0.20 . 1 . . . . 6 THR N . 19125 1 20 . 1 1 8 8 PHE C C 13 174.986 0.20 . 1 . . . . 8 PHE C . 19125 1 21 . 1 1 8 8 PHE CA C 13 62.400 0.200 . 1 . . . . 8 PHE CA . 19125 1 22 . 1 1 8 8 PHE CB C 13 36.200 0.200 . 1 . . . . 8 PHE CB . 19125 1 23 . 1 1 9 9 LEU H H 1 8.181 0.02 . 1 . . . . 9 LEU H . 19125 1 24 . 1 1 9 9 LEU C C 13 175.589 0.20 . 1 . . . . 9 LEU C . 19125 1 25 . 1 1 9 9 LEU CA C 13 57.200 0.200 . 1 . . . . 9 LEU CA . 19125 1 26 . 1 1 9 9 LEU CB C 13 37.900 0.200 . 1 . . . . 9 LEU CB . 19125 1 27 . 1 1 9 9 LEU N N 15 116.478 0.20 . 1 . . . . 9 LEU N . 19125 1 28 . 1 1 10 10 ILE H H 1 7.930 0.02 . 1 . . . . 10 ILE H . 19125 1 29 . 1 1 10 10 ILE C C 13 175.297 0.20 . 1 . . . . 10 ILE C . 19125 1 30 . 1 1 10 10 ILE CA C 13 60.400 0.200 . 1 . . . . 10 ILE CA . 19125 1 31 . 1 1 10 10 ILE CB C 13 36.700 0.200 . 1 . . . . 10 ILE CB . 19125 1 32 . 1 1 10 10 ILE N N 15 122.803 0.20 . 1 . . . . 10 ILE N . 19125 1 33 . 1 1 11 11 LEU H H 1 8.048 0.02 . 1 . . . . 11 LEU H . 19125 1 34 . 1 1 11 11 LEU C C 13 175.284 0.20 . 1 . . . . 11 LEU C . 19125 1 35 . 1 1 11 11 LEU CA C 13 52.400 0.200 . 1 . . . . 11 LEU CA . 19125 1 36 . 1 1 11 11 LEU CB C 13 36.900 0.200 . 1 . . . . 11 LEU CB . 19125 1 37 . 1 1 11 11 LEU N N 15 113.191 0.20 . 1 . . . . 11 LEU N . 19125 1 38 . 1 1 12 12 LEU H H 1 7.539 0.02 . 1 . . . . 12 LEU H . 19125 1 39 . 1 1 12 12 LEU C C 13 176.228 0.20 . 1 . . . . 12 LEU C . 19125 1 40 . 1 1 12 12 LEU CA C 13 55.600 0.200 . 1 . . . . 12 LEU CA . 19125 1 41 . 1 1 12 12 LEU CB C 13 38.600 0.200 . 1 . . . . 12 LEU CB . 19125 1 42 . 1 1 12 12 LEU N N 15 118.456 0.20 . 1 . . . . 12 LEU N . 19125 1 43 . 1 1 13 13 ARG H H 1 8.189 0.02 . 1 . . . . 13 ARG H . 19125 1 44 . 1 1 13 13 ARG C C 13 176.483 0.20 . 1 . . . . 13 ARG C . 19125 1 45 . 1 1 13 13 ARG CA C 13 57.400 0.200 . 1 . . . . 13 ARG CA . 19125 1 46 . 1 1 13 13 ARG CB C 13 27.200 0.200 . 1 . . . . 13 ARG CB . 19125 1 47 . 1 1 13 13 ARG CD C 13 43.300 0.200 . 1 . . . . 13 ARG CD . 19125 1 48 . 1 1 13 13 ARG N N 15 119.449 0.20 . 1 . . . . 13 ARG N . 19125 1 49 . 1 1 14 14 LYS H H 1 7.915 0.02 . 1 . . . . 14 LYS H . 19125 1 50 . 1 1 14 14 LYS C C 13 176.149 0.20 . 1 . . . . 14 LYS C . 19125 1 51 . 1 1 14 14 LYS CA C 13 55.700 0.200 . 1 . . . . 14 LYS CA . 19125 1 52 . 1 1 14 14 LYS CB C 13 28.900 0.200 . 1 . . . . 14 LYS CB . 19125 1 53 . 1 1 14 14 LYS CE C 13 42.100 0.200 . 1 . . . . 14 LYS CE . 19125 1 54 . 1 1 14 14 LYS N N 15 119.273 0.20 . 1 . . . . 14 LYS N . 19125 1 55 . 1 1 15 15 THR H H 1 8.212 0.02 . 1 . . . . 15 THR H . 19125 1 56 . 1 1 15 15 THR C C 13 173.010 0.20 . 1 . . . . 15 THR C . 19125 1 57 . 1 1 15 15 THR CA C 13 64.200 0.200 . 1 . . . . 15 THR CA . 19125 1 58 . 1 1 15 15 THR CB C 13 64.800 0.200 . 1 . . . . 15 THR CB . 19125 1 59 . 1 1 15 15 THR N N 15 117.210 0.20 . 1 . . . . 15 THR N . 19125 1 60 . 1 1 16 16 LEU H H 1 8.752 0.02 . 1 . . . . 16 LEU H . 19125 1 61 . 1 1 16 16 LEU C C 13 175.411 0.20 . 1 . . . . 16 LEU C . 19125 1 62 . 1 1 16 16 LEU CA C 13 55.800 0.200 . 1 . . . . 16 LEU CA . 19125 1 63 . 1 1 16 16 LEU CB C 13 38.700 0.200 . 1 . . . . 16 LEU CB . 19125 1 64 . 1 1 16 16 LEU N N 15 122.936 0.20 . 1 . . . . 16 LEU N . 19125 1 65 . 1 1 17 17 GLU H H 1 7.696 0.02 . 1 . . . . 17 GLU H . 19125 1 66 . 1 1 17 17 GLU C C 13 176.990 0.20 . 1 . . . . 17 GLU C . 19125 1 67 . 1 1 17 17 GLU CA C 13 56.900 0.200 . 1 . . . . 17 GLU CA . 19125 1 68 . 1 1 17 17 GLU CB C 13 26.600 0.200 . 1 . . . . 17 GLU CB . 19125 1 69 . 1 1 17 17 GLU N N 15 118.162 0.20 . 1 . . . . 17 GLU N . 19125 1 70 . 1 1 18 18 GLN H H 1 7.868 0.02 . 1 . . . . 18 GLN H . 19125 1 71 . 1 1 18 18 GLN C C 13 176.470 0.20 . 1 . . . . 18 GLN C . 19125 1 72 . 1 1 18 18 GLN CA C 13 56.100 0.200 . 1 . . . . 18 GLN CA . 19125 1 73 . 1 1 18 18 GLN CB C 13 27.000 0.200 . 1 . . . . 18 GLN CB . 19125 1 74 . 1 1 18 18 GLN N N 15 118.507 0.20 . 1 . . . . 18 GLN N . 19125 1 75 . 1 1 19 19 LEU H H 1 8.259 0.02 . 1 . . . . 19 LEU H . 19125 1 76 . 1 1 19 19 LEU C C 13 175.642 0.20 . 1 . . . . 19 LEU C . 19125 1 77 . 1 1 19 19 LEU CA C 13 55.000 0.200 . 1 . . . . 19 LEU CA . 19125 1 78 . 1 1 19 19 LEU CB C 13 39.600 0.200 . 1 . . . . 19 LEU CB . 19125 1 79 . 1 1 19 19 LEU N N 15 119.926 0.20 . 1 . . . . 19 LEU N . 19125 1 80 . 1 1 20 20 GLN H H 1 8.063 0.02 . 1 . . . . 20 GLN H . 19125 1 81 . 1 1 20 20 GLN C C 13 176.993 0.20 . 1 . . . . 20 GLN C . 19125 1 82 . 1 1 20 20 GLN CA C 13 56.600 0.200 . 1 . . . . 20 GLN CA . 19125 1 83 . 1 1 20 20 GLN CB C 13 25.500 0.200 . 1 . . . . 20 GLN CB . 19125 1 84 . 1 1 20 20 GLN N N 15 117.247 0.20 . 1 . . . . 20 GLN N . 19125 1 85 . 1 1 21 21 GLU H H 1 7.657 0.02 . 1 . . . . 21 GLU H . 19125 1 86 . 1 1 21 21 GLU C C 13 175.659 0.20 . 1 . . . . 21 GLU C . 19125 1 87 . 1 1 21 21 GLU CA C 13 55.600 0.200 . 1 . . . . 21 GLU CA . 19125 1 88 . 1 1 21 21 GLU CB C 13 31.200 0.200 . 1 . . . . 21 GLU CB . 19125 1 89 . 1 1 21 21 GLU N N 15 118.967 0.20 . 1 . . . . 21 GLU N . 19125 1 90 . 1 1 22 22 LYS H H 1 7.367 0.02 . 1 . . . . 22 LYS H . 19125 1 91 . 1 1 22 22 LYS C C 13 174.978 0.20 . 1 . . . . 22 LYS C . 19125 1 92 . 1 1 22 22 LYS CA C 13 52.100 0.200 . 1 . . . . 22 LYS CA . 19125 1 93 . 1 1 22 22 LYS CB C 13 32.800 0.200 . 1 . . . . 22 LYS CB . 19125 1 94 . 1 1 22 22 LYS CE C 13 42.100 0.200 . 1 . . . . 22 LYS CE . 19125 1 95 . 1 1 22 22 LYS N N 15 113.145 0.20 . 1 . . . . 22 LYS N . 19125 1 96 . 1 1 23 23 ASP H H 1 7.649 0.02 . 1 . . . . 23 ASP H . 19125 1 97 . 1 1 23 23 ASP C C 13 174.419 0.20 . 1 . . . . 23 ASP C . 19125 1 98 . 1 1 23 23 ASP CA C 13 49.200 0.200 . 1 . . . . 23 ASP CA . 19125 1 99 . 1 1 23 23 ASP CB C 13 37.300 0.200 . 1 . . . . 23 ASP CB . 19125 1 100 . 1 1 23 23 ASP N N 15 121.218 0.20 . 1 . . . . 23 ASP N . 19125 1 101 . 1 1 24 24 THR H H 1 7.813 0.02 . 1 . . . . 24 THR H . 19125 1 102 . 1 1 24 24 THR C C 13 173.773 0.20 . 1 . . . . 24 THR C . 19125 1 103 . 1 1 24 24 THR CA C 13 61.600 0.200 . 1 . . . . 24 THR CA . 19125 1 104 . 1 1 24 24 THR CB C 13 65.600 0.200 . 1 . . . . 24 THR CB . 19125 1 105 . 1 1 24 24 THR N N 15 116.759 0.20 . 1 . . . . 24 THR N . 19125 1 106 . 1 1 25 25 GLY H H 1 8.815 0.02 . 1 . . . . 25 GLY H . 19125 1 107 . 1 1 25 25 GLY C C 13 175.297 0.20 . 1 . . . . 25 GLY C . 19125 1 108 . 1 1 25 25 GLY CA C 13 42.000 0.200 . 1 . . . . 25 GLY CA . 19125 1 109 . 1 1 25 25 GLY N N 15 109.309 0.20 . 1 . . . . 25 GLY N . 19125 1 110 . 1 1 26 26 ASN H H 1 8.056 0.02 . 1 . . . . 26 ASN H . 19125 1 111 . 1 1 26 26 ASN C C 13 172.710 0.20 . 1 . . . . 26 ASN C . 19125 1 112 . 1 1 26 26 ASN CA C 13 51.800 0.200 . 1 . . . . 26 ASN CA . 19125 1 113 . 1 1 26 26 ASN CB C 13 34.100 0.200 . 1 . . . . 26 ASN CB . 19125 1 114 . 1 1 26 26 ASN N N 15 118.539 0.20 . 1 . . . . 26 ASN N . 19125 1 115 . 1 1 27 27 ILE H H 1 9.323 0.02 . 1 . . . . 27 ILE H . 19125 1 116 . 1 1 27 27 ILE C C 13 175.451 0.20 . 1 . . . . 27 ILE C . 19125 1 117 . 1 1 27 27 ILE CA C 13 59.800 0.200 . 1 . . . . 27 ILE CA . 19125 1 118 . 1 1 27 27 ILE CB C 13 35.500 0.200 . 1 . . . . 27 ILE CB . 19125 1 119 . 1 1 27 27 ILE N N 15 120.609 0.20 . 1 . . . . 27 ILE N . 19125 1 120 . 1 1 28 28 PHE H H 1 10.145 0.02 . 1 . . . . 28 PHE H . 19125 1 121 . 1 1 28 28 PHE C C 13 172.530 0.20 . 1 . . . . 28 PHE C . 19125 1 122 . 1 1 28 28 PHE CA C 13 54.400 0.200 . 1 . . . . 28 PHE CA . 19125 1 123 . 1 1 28 28 PHE CB C 13 36.500 0.200 . 1 . . . . 28 PHE CB . 19125 1 124 . 1 1 28 28 PHE N N 15 122.311 0.20 . 1 . . . . 28 PHE N . 19125 1 125 . 1 1 29 29 SER H H 1 7.328 0.02 . 1 . . . . 29 SER H . 19125 1 126 . 1 1 29 29 SER C C 13 170.606 0.20 . 1 . . . . 29 SER C . 19125 1 127 . 1 1 29 29 SER CA C 13 59.200 0.200 . 1 . . . . 29 SER CA . 19125 1 128 . 1 1 29 29 SER CB C 13 61.500 0.200 . 1 . . . . 29 SER CB . 19125 1 129 . 1 1 29 29 SER N N 15 114.799 0.20 . 1 . . . . 29 SER N . 19125 1 130 . 1 1 30 30 GLU H H 1 8.095 0.02 . 1 . . . . 30 GLU H . 19125 1 131 . 1 1 30 30 GLU CA C 13 58.900 0.200 . 1 . . . . 30 GLU CA . 19125 1 132 . 1 1 30 30 GLU CB C 13 27.700 0.200 . 1 . . . . 30 GLU CB . 19125 1 133 . 1 1 30 30 GLU N N 15 118.788 0.20 . 1 . . . . 30 GLU N . 19125 1 134 . 1 1 31 31 PRO CB C 13 30.100 0.200 . 1 . . . . 31 PRO CB . 19125 1 135 . 1 1 33 33 PRO C C 13 174.378 0.20 . 1 . . . . 33 PRO C . 19125 1 136 . 1 1 33 33 PRO CA C 13 63.000 0.200 . 1 . . . . 33 PRO CA . 19125 1 137 . 1 1 33 33 PRO CB C 13 28.000 0.200 . 1 . . . . 33 PRO CB . 19125 1 138 . 1 1 34 34 LEU H H 1 8.079 0.02 . 1 . . . . 34 LEU H . 19125 1 139 . 1 1 34 34 LEU C C 13 176.056 0.20 . 1 . . . . 34 LEU C . 19125 1 140 . 1 1 34 34 LEU CA C 13 54.000 0.200 . 1 . . . . 34 LEU CA . 19125 1 141 . 1 1 34 34 LEU CB C 13 37.900 0.200 . 1 . . . . 34 LEU CB . 19125 1 142 . 1 1 34 34 LEU N N 15 128.228 0.20 . 1 . . . . 34 LEU N . 19125 1 143 . 1 1 35 35 SER H H 1 8.149 0.02 . 1 . . . . 35 SER H . 19125 1 144 . 1 1 35 35 SER C C 13 172.980 0.20 . 1 . . . . 35 SER C . 19125 1 145 . 1 1 35 35 SER CA C 13 57.600 0.200 . 1 . . . . 35 SER CA . 19125 1 146 . 1 1 35 35 SER CB C 13 59.300 0.200 . 1 . . . . 35 SER CB . 19125 1 147 . 1 1 35 35 SER N N 15 111.324 0.20 . 1 . . . . 35 SER N . 19125 1 148 . 1 1 36 36 GLU H H 1 7.250 0.02 . 1 . . . . 36 GLU H . 19125 1 149 . 1 1 36 36 GLU C C 13 173.716 0.20 . 1 . . . . 36 GLU C . 19125 1 150 . 1 1 36 36 GLU CA C 13 53.700 0.200 . 1 . . . . 36 GLU CA . 19125 1 151 . 1 1 36 36 GLU CB C 13 28.200 0.200 . 1 . . . . 36 GLU CB . 19125 1 152 . 1 1 36 36 GLU N N 15 118.869 0.20 . 1 . . . . 36 GLU N . 19125 1 153 . 1 1 37 37 VAL H H 1 7.250 0.02 . 1 . . . . 37 VAL H . 19125 1 154 . 1 1 37 37 VAL N N 15 117.135 0.20 . 1 . . . . 37 VAL N . 19125 1 155 . 1 1 38 38 PRO C C 13 173.664 0.20 . 1 . . . . 38 PRO C . 19125 1 156 . 1 1 38 38 PRO CA C 13 62.800 0.200 . 1 . . . . 38 PRO CA . 19125 1 157 . 1 1 39 39 ASP H H 1 8.259 0.02 . 1 . . . . 39 ASP H . 19125 1 158 . 1 1 39 39 ASP CB C 13 39.200 0.200 . 1 . . . . 39 ASP CB . 19125 1 159 . 1 1 39 39 ASP N N 15 119.926 0.20 . 1 . . . . 39 ASP N . 19125 1 160 . 1 1 40 40 TYR C C 13 174.986 0.20 . 1 . . . . 40 TYR C . 19125 1 161 . 1 1 40 40 TYR CA C 13 54.600 0.200 . 1 . . . . 40 TYR CA . 19125 1 162 . 1 1 40 40 TYR CB C 13 38.300 0.200 . 1 . . . . 40 TYR CB . 19125 1 163 . 1 1 41 41 LEU H H 1 6.663 0.02 . 1 . . . . 41 LEU H . 19125 1 164 . 1 1 41 41 LEU C C 13 172.909 0.20 . 1 . . . . 41 LEU C . 19125 1 165 . 1 1 41 41 LEU CA C 13 57.400 0.200 . 1 . . . . 41 LEU CA . 19125 1 166 . 1 1 41 41 LEU CB C 13 36.700 0.200 . 1 . . . . 41 LEU CB . 19125 1 167 . 1 1 41 41 LEU N N 15 120.025 0.20 . 1 . . . . 41 LEU N . 19125 1 168 . 1 1 42 42 ASP H H 1 8.439 0.02 . 1 . . . . 42 ASP H . 19125 1 169 . 1 1 42 42 ASP C C 13 175.000 0.20 . 1 . . . . 42 ASP C . 19125 1 170 . 1 1 42 42 ASP CA C 13 57.400 0.200 . 1 . . . . 42 ASP CA . 19125 1 171 . 1 1 42 42 ASP N N 15 119.769 0.20 . 1 . . . . 42 ASP N . 19125 1 172 . 1 1 43 43 HIS H H 1 8.353 0.02 . 1 . . . . 43 HIS H . 19125 1 173 . 1 1 43 43 HIS C C 13 176.564 0.20 . 1 . . . . 43 HIS C . 19125 1 174 . 1 1 43 43 HIS CA C 13 56.600 0.200 . 1 . . . . 43 HIS CA . 19125 1 175 . 1 1 43 43 HIS CB C 13 26.100 0.200 . 1 . . . . 43 HIS CB . 19125 1 176 . 1 1 43 43 HIS N N 15 117.504 0.20 . 1 . . . . 43 HIS N . 19125 1 177 . 1 1 44 44 ILE H H 1 6.921 0.02 . 1 . . . . 44 ILE H . 19125 1 178 . 1 1 44 44 ILE C C 13 175.000 0.20 . 1 . . . . 44 ILE C . 19125 1 179 . 1 1 44 44 ILE CA C 13 54.600 0.200 . 1 . . . . 44 ILE CA . 19125 1 180 . 1 1 44 44 ILE CB C 13 35.400 0.200 . 1 . . . . 44 ILE CB . 19125 1 181 . 1 1 44 44 ILE N N 15 120.578 0.20 . 1 . . . . 44 ILE N . 19125 1 182 . 1 1 45 45 LYS H H 1 7.336 0.02 . 1 . . . . 45 LYS H . 19125 1 183 . 1 1 45 45 LYS C C 13 173.769 0.20 . 1 . . . . 45 LYS C . 19125 1 184 . 1 1 45 45 LYS CA C 13 58.800 0.200 . 1 . . . . 45 LYS CA . 19125 1 185 . 1 1 45 45 LYS CB C 13 35.200 0.200 . 1 . . . . 45 LYS CB . 19125 1 186 . 1 1 45 45 LYS CE C 13 42.100 0.200 . 1 . . . . 45 LYS CE . 19125 1 187 . 1 1 45 45 LYS N N 15 120.481 0.20 . 1 . . . . 45 LYS N . 19125 1 188 . 1 1 46 46 LYS H H 1 8.533 0.02 . 1 . . . . 46 LYS H . 19125 1 189 . 1 1 46 46 LYS CB C 13 32.700 0.200 . 1 . . . . 46 LYS CB . 19125 1 190 . 1 1 46 46 LYS CE C 13 42.100 0.200 . 1 . . . . 46 LYS CE . 19125 1 191 . 1 1 46 46 LYS N N 15 115.945 0.20 . 1 . . . . 46 LYS N . 19125 1 192 . 1 1 47 47 PRO C C 13 174.361 0.20 . 1 . . . . 47 PRO C . 19125 1 193 . 1 1 47 47 PRO CA C 13 59.900 0.200 . 1 . . . . 47 PRO CA . 19125 1 194 . 1 1 47 47 PRO CB C 13 28.900 0.200 . 1 . . . . 47 PRO CB . 19125 1 195 . 1 1 48 48 MET H H 1 8.298 0.02 . 1 . . . . 48 MET H . 19125 1 196 . 1 1 48 48 MET CA C 13 55.900 0.200 . 1 . . . . 48 MET CA . 19125 1 197 . 1 1 48 48 MET CB C 13 34.600 0.200 . 1 . . . . 48 MET CB . 19125 1 198 . 1 1 48 48 MET N N 15 126.739 0.20 . 1 . . . . 48 MET N . 19125 1 199 . 1 1 49 49 ASP C C 13 175.284 0.20 . 1 . . . . 49 ASP C . 19125 1 200 . 1 1 49 49 ASP CA C 13 52.400 0.200 . 1 . . . . 49 ASP CA . 19125 1 201 . 1 1 49 49 ASP CB C 13 34.600 0.200 . 1 . . . . 49 ASP CB . 19125 1 202 . 1 1 50 50 PHE H H 1 7.539 0.02 . 1 . . . . 50 PHE H . 19125 1 203 . 1 1 50 50 PHE C C 13 171.335 0.20 . 1 . . . . 50 PHE C . 19125 1 204 . 1 1 50 50 PHE CA C 13 54.400 0.200 . 1 . . . . 50 PHE CA . 19125 1 205 . 1 1 50 50 PHE CB C 13 39.900 0.200 . 1 . . . . 50 PHE CB . 19125 1 206 . 1 1 50 50 PHE N N 15 118.456 0.20 . 1 . . . . 50 PHE N . 19125 1 207 . 1 1 51 51 PHE H H 1 8.267 0.02 . 1 . . . . 51 PHE H . 19125 1 208 . 1 1 51 51 PHE C C 13 174.185 0.20 . 1 . . . . 51 PHE C . 19125 1 209 . 1 1 51 51 PHE CA C 13 63.800 0.200 . 1 . . . . 51 PHE CA . 19125 1 210 . 1 1 51 51 PHE CB C 13 38.700 0.200 . 1 . . . . 51 PHE CB . 19125 1 211 . 1 1 51 51 PHE N N 15 122.945 0.20 . 1 . . . . 51 PHE N . 19125 1 212 . 1 1 52 52 THR H H 1 8.016 0.02 . 1 . . . . 52 THR H . 19125 1 213 . 1 1 52 52 THR CA C 13 63.100 0.200 . 1 . . . . 52 THR CA . 19125 1 214 . 1 1 52 52 THR N N 15 119.734 0.20 . 1 . . . . 52 THR N . 19125 1 215 . 1 1 53 53 MET C C 13 171.468 0.20 . 1 . . . . 53 MET C . 19125 1 216 . 1 1 53 53 MET CA C 13 53.900 0.200 . 1 . . . . 53 MET CA . 19125 1 217 . 1 1 53 53 MET CB C 13 30.100 0.200 . 1 . . . . 53 MET CB . 19125 1 218 . 1 1 54 54 LYS H H 1 7.766 0.02 . 1 . . . . 54 LYS H . 19125 1 219 . 1 1 54 54 LYS C C 13 171.271 0.20 . 1 . . . . 54 LYS C . 19125 1 220 . 1 1 54 54 LYS CA C 13 55.000 0.200 . 1 . . . . 54 LYS CA . 19125 1 221 . 1 1 54 54 LYS CB C 13 33.300 0.200 . 1 . . . . 54 LYS CB . 19125 1 222 . 1 1 54 54 LYS CE C 13 42.100 0.200 . 1 . . . . 54 LYS CE . 19125 1 223 . 1 1 54 54 LYS N N 15 121.540 0.20 . 1 . . . . 54 LYS N . 19125 1 224 . 1 1 55 55 GLN H H 1 7.782 0.02 . 1 . . . . 55 GLN H . 19125 1 225 . 1 1 55 55 GLN C C 13 174.443 0.20 . 1 . . . . 55 GLN C . 19125 1 226 . 1 1 55 55 GLN CA C 13 54.000 0.200 . 1 . . . . 55 GLN CA . 19125 1 227 . 1 1 55 55 GLN CB C 13 29.800 0.200 . 1 . . . . 55 GLN CB . 19125 1 228 . 1 1 55 55 GLN N N 15 123.689 0.20 . 1 . . . . 55 GLN N . 19125 1 229 . 1 1 56 56 ASN H H 1 8.275 0.02 . 1 . . . . 56 ASN H . 19125 1 230 . 1 1 56 56 ASN C C 13 175.284 0.20 . 1 . . . . 56 ASN C . 19125 1 231 . 1 1 56 56 ASN CA C 13 52.700 0.200 . 1 . . . . 56 ASN CA . 19125 1 232 . 1 1 56 56 ASN N N 15 120.474 0.20 . 1 . . . . 56 ASN N . 19125 1 233 . 1 1 57 57 LEU H H 1 7.539 0.02 . 1 . . . . 57 LEU H . 19125 1 234 . 1 1 57 57 LEU C C 13 174.234 0.20 . 1 . . . . 57 LEU C . 19125 1 235 . 1 1 57 57 LEU CA C 13 53.400 0.200 . 1 . . . . 57 LEU CA . 19125 1 236 . 1 1 57 57 LEU N N 15 118.456 0.20 . 1 . . . . 57 LEU N . 19125 1 237 . 1 1 58 58 GLU H H 1 7.273 0.02 . 1 . . . . 58 GLU H . 19125 1 238 . 1 1 58 58 GLU CA C 13 53.800 0.200 . 1 . . . . 58 GLU CA . 19125 1 239 . 1 1 58 58 GLU CB C 13 30.200 0.200 . 1 . . . . 58 GLU CB . 19125 1 240 . 1 1 58 58 GLU N N 15 115.346 0.20 . 1 . . . . 58 GLU N . 19125 1 241 . 1 1 59 59 ALA C C 13 173.501 0.20 . 1 . . . . 59 ALA C . 19125 1 242 . 1 1 59 59 ALA CA C 13 48.300 0.200 . 1 . . . . 59 ALA CA . 19125 1 243 . 1 1 59 59 ALA CB C 13 15.500 0.200 . 1 . . . . 59 ALA CB . 19125 1 244 . 1 1 60 60 TYR H H 1 7.610 0.02 . 1 . . . . 60 TYR H . 19125 1 245 . 1 1 60 60 TYR C C 13 173.065 0.20 . 1 . . . . 60 TYR C . 19125 1 246 . 1 1 60 60 TYR CA C 13 56.100 0.200 . 1 . . . . 60 TYR CA . 19125 1 247 . 1 1 60 60 TYR CB C 13 30.600 0.200 . 1 . . . . 60 TYR CB . 19125 1 248 . 1 1 60 60 TYR N N 15 113.721 0.20 . 1 . . . . 60 TYR N . 19125 1 249 . 1 1 61 61 ARG H H 1 7.782 0.02 . 1 . . . . 61 ARG H . 19125 1 250 . 1 1 61 61 ARG C C 13 171.335 0.20 . 1 . . . . 61 ARG C . 19125 1 251 . 1 1 61 61 ARG CA C 13 60.100 0.200 . 1 . . . . 61 ARG CA . 19125 1 252 . 1 1 61 61 ARG CB C 13 29.300 0.200 . 1 . . . . 61 ARG CB . 19125 1 253 . 1 1 61 61 ARG CD C 13 43.300 0.200 . 1 . . . . 61 ARG CD . 19125 1 254 . 1 1 61 61 ARG N N 15 112.782 0.20 . 1 . . . . 61 ARG N . 19125 1 255 . 1 1 62 62 TYR H H 1 8.259 0.02 . 1 . . . . 62 TYR H . 19125 1 256 . 1 1 62 62 TYR C C 13 171.511 0.20 . 1 . . . . 62 TYR C . 19125 1 257 . 1 1 62 62 TYR CA C 13 52.400 0.200 . 1 . . . . 62 TYR CA . 19125 1 258 . 1 1 62 62 TYR CB C 13 35.400 0.200 . 1 . . . . 62 TYR CB . 19125 1 259 . 1 1 62 62 TYR N N 15 118.217 0.20 . 1 . . . . 62 TYR N . 19125 1 260 . 1 1 63 63 LEU H H 1 9.198 0.02 . 1 . . . . 63 LEU H . 19125 1 261 . 1 1 63 63 LEU C C 13 173.406 0.20 . 1 . . . . 63 LEU C . 19125 1 262 . 1 1 63 63 LEU CA C 13 51.500 0.200 . 1 . . . . 63 LEU CA . 19125 1 263 . 1 1 63 63 LEU CB C 13 39.300 0.200 . 1 . . . . 63 LEU CB . 19125 1 264 . 1 1 63 63 LEU N N 15 123.251 0.20 . 1 . . . . 63 LEU N . 19125 1 265 . 1 1 64 64 ASN H H 1 7.883 0.02 . 1 . . . . 64 ASN H . 19125 1 266 . 1 1 64 64 ASN C C 13 171.839 0.20 . 1 . . . . 64 ASN C . 19125 1 267 . 1 1 64 64 ASN CA C 13 49.100 0.200 . 1 . . . . 64 ASN CA . 19125 1 268 . 1 1 64 64 ASN CB C 13 37.600 0.200 . 1 . . . . 64 ASN CB . 19125 1 269 . 1 1 64 64 ASN N N 15 112.793 0.20 . 1 . . . . 64 ASN N . 19125 1 270 . 1 1 65 65 PHE H H 1 9.409 0.02 . 1 . . . . 65 PHE H . 19125 1 271 . 1 1 65 65 PHE C C 13 174.307 0.20 . 1 . . . . 65 PHE C . 19125 1 272 . 1 1 65 65 PHE CA C 13 60.000 0.200 . 1 . . . . 65 PHE CA . 19125 1 273 . 1 1 65 65 PHE CB C 13 37.600 0.200 . 1 . . . . 65 PHE CB . 19125 1 274 . 1 1 65 65 PHE N N 15 120.268 0.20 . 1 . . . . 65 PHE N . 19125 1 275 . 1 1 66 66 ASP H H 1 8.314 0.02 . 1 . . . . 66 ASP H . 19125 1 276 . 1 1 66 66 ASP C C 13 175.760 0.20 . 1 . . . . 66 ASP C . 19125 1 277 . 1 1 66 66 ASP CA C 13 55.400 0.200 . 1 . . . . 66 ASP CA . 19125 1 278 . 1 1 66 66 ASP CB C 13 36.700 0.200 . 1 . . . . 66 ASP CB . 19125 1 279 . 1 1 66 66 ASP N N 15 119.194 0.20 . 1 . . . . 66 ASP N . 19125 1 280 . 1 1 67 67 ASP H H 1 8.439 0.02 . 1 . . . . 67 ASP H . 19125 1 281 . 1 1 67 67 ASP C C 13 174.963 0.20 . 1 . . . . 67 ASP C . 19125 1 282 . 1 1 67 67 ASP CA C 13 55.600 0.200 . 1 . . . . 67 ASP CA . 19125 1 283 . 1 1 67 67 ASP CB C 13 38.700 0.200 . 1 . . . . 67 ASP CB . 19125 1 284 . 1 1 67 67 ASP N N 15 119.424 0.20 . 1 . . . . 67 ASP N . 19125 1 285 . 1 1 68 68 PHE H H 1 8.016 0.02 . 1 . . . . 68 PHE H . 19125 1 286 . 1 1 68 68 PHE C C 13 175.612 0.20 . 1 . . . . 68 PHE C . 19125 1 287 . 1 1 68 68 PHE CA C 13 58.200 0.200 . 1 . . . . 68 PHE CA . 19125 1 288 . 1 1 68 68 PHE N N 15 119.734 0.20 . 1 . . . . 68 PHE N . 19125 1 289 . 1 1 69 69 GLU H H 1 8.142 0.02 . 1 . . . . 69 GLU H . 19125 1 290 . 1 1 69 69 GLU C C 13 175.589 0.20 . 1 . . . . 69 GLU C . 19125 1 291 . 1 1 69 69 GLU CA C 13 57.200 0.200 . 1 . . . . 69 GLU CA . 19125 1 292 . 1 1 69 69 GLU CB C 13 29.100 0.200 . 1 . . . . 69 GLU CB . 19125 1 293 . 1 1 69 69 GLU N N 15 120.959 0.20 . 1 . . . . 69 GLU N . 19125 1 294 . 1 1 70 70 GLU H H 1 7.923 0.02 . 1 . . . . 70 GLU H . 19125 1 295 . 1 1 70 70 GLU C C 13 176.914 0.20 . 1 . . . . 70 GLU C . 19125 1 296 . 1 1 70 70 GLU CA C 13 55.700 0.200 . 1 . . . . 70 GLU CA . 19125 1 297 . 1 1 70 70 GLU CB C 13 25.800 0.200 . 1 . . . . 70 GLU CB . 19125 1 298 . 1 1 70 70 GLU N N 15 118.012 0.20 . 1 . . . . 70 GLU N . 19125 1 299 . 1 1 71 71 ASP H H 1 8.548 0.02 . 1 . . . . 71 ASP H . 19125 1 300 . 1 1 71 71 ASP C C 13 173.969 0.20 . 1 . . . . 71 ASP C . 19125 1 301 . 1 1 71 71 ASP CA C 13 52.400 0.200 . 1 . . . . 71 ASP CA . 19125 1 302 . 1 1 71 71 ASP CB C 13 34.600 0.200 . 1 . . . . 71 ASP CB . 19125 1 303 . 1 1 71 71 ASP N N 15 119.352 0.20 . 1 . . . . 71 ASP N . 19125 1 304 . 1 1 72 72 PHE H H 1 8.689 0.02 . 1 . . . . 72 PHE H . 19125 1 305 . 1 1 72 72 PHE CA C 13 55.300 0.200 . 1 . . . . 72 PHE CA . 19125 1 306 . 1 1 72 72 PHE CB C 13 39.900 0.200 . 1 . . . . 72 PHE CB . 19125 1 307 . 1 1 72 72 PHE N N 15 123.818 0.20 . 1 . . . . 72 PHE N . 19125 1 308 . 1 1 73 73 ASN C C 13 169.565 0.20 . 1 . . . . 73 ASN C . 19125 1 309 . 1 1 73 73 ASN CA C 13 50.300 0.200 . 1 . . . . 73 ASN CA . 19125 1 310 . 1 1 74 74 LEU H H 1 7.179 0.02 . 1 . . . . 74 LEU H . 19125 1 311 . 1 1 74 74 LEU C C 13 172.705 0.20 . 1 . . . . 74 LEU C . 19125 1 312 . 1 1 74 74 LEU CA C 13 50.600 0.200 . 1 . . . . 74 LEU CA . 19125 1 313 . 1 1 74 74 LEU CB C 13 41.000 0.200 . 1 . . . . 74 LEU CB . 19125 1 314 . 1 1 74 74 LEU N N 15 118.024 0.20 . 1 . . . . 74 LEU N . 19125 1 315 . 1 1 75 75 ILE H H 1 9.026 0.02 . 1 . . . . 75 ILE H . 19125 1 316 . 1 1 75 75 ILE C C 13 174.730 0.20 . 1 . . . . 75 ILE C . 19125 1 317 . 1 1 75 75 ILE CA C 13 59.600 0.200 . 1 . . . . 75 ILE CA . 19125 1 318 . 1 1 75 75 ILE CB C 13 35.900 0.200 . 1 . . . . 75 ILE CB . 19125 1 319 . 1 1 75 75 ILE N N 15 117.670 0.20 . 1 . . . . 75 ILE N . 19125 1 320 . 1 1 76 76 VAL H H 1 8.799 0.02 . 1 . . . . 76 VAL H . 19125 1 321 . 1 1 76 76 VAL C C 13 173.442 0.20 . 1 . . . . 76 VAL C . 19125 1 322 . 1 1 76 76 VAL CA C 13 59.400 0.200 . 1 . . . . 76 VAL CA . 19125 1 323 . 1 1 76 76 VAL CB C 13 35.600 0.200 . 1 . . . . 76 VAL CB . 19125 1 324 . 1 1 76 76 VAL N N 15 125.774 0.20 . 1 . . . . 76 VAL N . 19125 1 325 . 1 1 77 77 SER H H 1 6.874 0.02 . 1 . . . . 77 SER H . 19125 1 326 . 1 1 77 77 SER C C 13 175.051 0.20 . 1 . . . . 77 SER C . 19125 1 327 . 1 1 77 77 SER CA C 13 59.400 0.200 . 1 . . . . 77 SER CA . 19125 1 328 . 1 1 77 77 SER N N 15 111.899 0.20 . 1 . . . . 77 SER N . 19125 1 329 . 1 1 78 78 ASN H H 1 8.963 0.02 . 1 . . . . 78 ASN H . 19125 1 330 . 1 1 78 78 ASN C C 13 173.442 0.20 . 1 . . . . 78 ASN C . 19125 1 331 . 1 1 78 78 ASN CA C 13 52.300 0.200 . 1 . . . . 78 ASN CA . 19125 1 332 . 1 1 78 78 ASN CB C 13 34.900 0.200 . 1 . . . . 78 ASN CB . 19125 1 333 . 1 1 78 78 ASN N N 15 121.337 0.20 . 1 . . . . 78 ASN N . 19125 1 334 . 1 1 79 79 CYS H H 1 6.874 0.02 . 1 . . . . 79 CYS H . 19125 1 335 . 1 1 79 79 CYS C C 13 174.978 0.20 . 1 . . . . 79 CYS C . 19125 1 336 . 1 1 79 79 CYS CA C 13 54.800 0.200 . 1 . . . . 79 CYS CA . 19125 1 337 . 1 1 79 79 CYS N N 15 119.207 0.20 . 1 . . . . 79 CYS N . 19125 1 338 . 1 1 80 80 LEU H H 1 7.641 0.02 . 1 . . . . 80 LEU H . 19125 1 339 . 1 1 80 80 LEU C C 13 174.937 0.20 . 1 . . . . 80 LEU C . 19125 1 340 . 1 1 80 80 LEU CA C 13 53.800 0.200 . 1 . . . . 80 LEU CA . 19125 1 341 . 1 1 80 80 LEU CB C 13 37.800 0.200 . 1 . . . . 80 LEU CB . 19125 1 342 . 1 1 80 80 LEU N N 15 120.126 0.20 . 1 . . . . 80 LEU N . 19125 1 343 . 1 1 81 81 LYS H H 1 7.711 0.02 . 1 . . . . 81 LYS H . 19125 1 344 . 1 1 81 81 LYS C C 13 175.517 0.20 . 1 . . . . 81 LYS C . 19125 1 345 . 1 1 81 81 LYS CA C 13 59.500 0.200 . 1 . . . . 81 LYS CA . 19125 1 346 . 1 1 81 81 LYS CB C 13 30.100 0.200 . 1 . . . . 81 LYS CB . 19125 1 347 . 1 1 81 81 LYS CE C 13 42.100 0.200 . 1 . . . . 81 LYS CE . 19125 1 348 . 1 1 81 81 LYS N N 15 116.997 0.20 . 1 . . . . 81 LYS N . 19125 1 349 . 1 1 82 82 TYR H H 1 7.993 0.02 . 1 . . . . 82 TYR H . 19125 1 350 . 1 1 82 82 TYR C C 13 172.663 0.20 . 1 . . . . 82 TYR C . 19125 1 351 . 1 1 82 82 TYR CA C 13 58.500 0.200 . 1 . . . . 82 TYR CA . 19125 1 352 . 1 1 82 82 TYR CB C 13 37.900 0.200 . 1 . . . . 82 TYR CB . 19125 1 353 . 1 1 82 82 TYR N N 15 116.810 0.20 . 1 . . . . 82 TYR N . 19125 1 354 . 1 1 83 83 ASN H H 1 7.750 0.02 . 1 . . . . 83 ASN H . 19125 1 355 . 1 1 83 83 ASN C C 13 170.997 0.20 . 1 . . . . 83 ASN C . 19125 1 356 . 1 1 83 83 ASN CA C 13 50.400 0.200 . 1 . . . . 83 ASN CA . 19125 1 357 . 1 1 83 83 ASN CB C 13 39.200 0.200 . 1 . . . . 83 ASN CB . 19125 1 358 . 1 1 83 83 ASN N N 15 114.040 0.20 . 1 . . . . 83 ASN N . 19125 1 359 . 1 1 84 84 ALA H H 1 8.525 0.02 . 1 . . . . 84 ALA H . 19125 1 360 . 1 1 84 84 ALA C C 13 175.022 0.20 . 1 . . . . 84 ALA C . 19125 1 361 . 1 1 84 84 ALA CA C 13 48.900 0.200 . 1 . . . . 84 ALA CA . 19125 1 362 . 1 1 84 84 ALA CB C 13 16.600 0.200 . 1 . . . . 84 ALA CB . 19125 1 363 . 1 1 84 84 ALA N N 15 121.639 0.20 . 1 . . . . 84 ALA N . 19125 1 364 . 1 1 85 85 LYS H H 1 8.126 0.02 . 1 . . . . 85 LYS H . 19125 1 365 . 1 1 85 85 LYS CA C 13 54.600 0.200 . 1 . . . . 85 LYS CA . 19125 1 366 . 1 1 85 85 LYS CE C 13 42.100 0.200 . 1 . . . . 85 LYS CE . 19125 1 367 . 1 1 85 85 LYS N N 15 119.400 0.20 . 1 . . . . 85 LYS N . 19125 1 368 . 1 1 86 86 ASP C C 13 173.413 0.20 . 1 . . . . 86 ASP C . 19125 1 369 . 1 1 86 86 ASP CA C 13 51.200 0.200 . 1 . . . . 86 ASP CA . 19125 1 370 . 1 1 86 86 ASP CB C 13 36.600 0.200 . 1 . . . . 86 ASP CB . 19125 1 371 . 1 1 87 87 THR H H 1 7.508 0.02 . 1 . . . . 87 THR H . 19125 1 372 . 1 1 87 87 THR C C 13 173.081 0.20 . 1 . . . . 87 THR C . 19125 1 373 . 1 1 87 87 THR CA C 13 58.100 0.200 . 1 . . . . 87 THR CA . 19125 1 374 . 1 1 87 87 THR CB C 13 71.300 0.200 . 1 . . . . 87 THR CB . 19125 1 375 . 1 1 87 87 THR N N 15 108.424 0.20 . 1 . . . . 87 THR N . 19125 1 376 . 1 1 88 88 ILE H H 1 8.674 0.02 . 1 . . . . 88 ILE H . 19125 1 377 . 1 1 88 88 ILE CA C 13 61.400 0.200 . 1 . . . . 88 ILE CA . 19125 1 378 . 1 1 88 88 ILE N N 15 119.977 0.20 . 1 . . . . 88 ILE N . 19125 1 379 . 1 1 89 89 PHE C C 13 173.148 0.20 . 1 . . . . 89 PHE C . 19125 1 380 . 1 1 89 89 PHE CA C 13 58.300 0.200 . 1 . . . . 89 PHE CA . 19125 1 381 . 1 1 89 89 PHE CB C 13 36.900 0.200 . 1 . . . . 89 PHE CB . 19125 1 382 . 1 1 90 90 TYR H H 1 7.962 0.02 . 1 . . . . 90 TYR H . 19125 1 383 . 1 1 90 90 TYR CA C 13 55.800 0.200 . 1 . . . . 90 TYR CA . 19125 1 384 . 1 1 90 90 TYR CB C 13 38.600 0.200 . 1 . . . . 90 TYR CB . 19125 1 385 . 1 1 90 90 TYR N N 15 119.807 0.20 . 1 . . . . 90 TYR N . 19125 1 386 . 1 1 91 91 ARG C C 13 176.760 0.20 . 1 . . . . 91 ARG C . 19125 1 387 . 1 1 91 91 ARG CA C 13 57.000 0.200 . 1 . . . . 91 ARG CA . 19125 1 388 . 1 1 91 91 ARG CB C 13 27.600 0.200 . 1 . . . . 91 ARG CB . 19125 1 389 . 1 1 91 91 ARG CD C 13 43.300 0.200 . 1 . . . . 91 ARG CD . 19125 1 390 . 1 1 92 92 ALA H H 1 8.212 0.02 . 1 . . . . 92 ALA H . 19125 1 391 . 1 1 92 92 ALA C C 13 178.101 0.20 . 1 . . . . 92 ALA C . 19125 1 392 . 1 1 92 92 ALA CA C 13 52.200 0.200 . 1 . . . . 92 ALA CA . 19125 1 393 . 1 1 92 92 ALA CB C 13 15.900 0.200 . 1 . . . . 92 ALA CB . 19125 1 394 . 1 1 92 92 ALA N N 15 121.417 0.20 . 1 . . . . 92 ALA N . 19125 1 395 . 1 1 93 93 ALA H H 1 8.415 0.02 . 1 . . . . 93 ALA H . 19125 1 396 . 1 1 93 93 ALA C C 13 176.091 0.20 . 1 . . . . 93 ALA C . 19125 1 397 . 1 1 93 93 ALA CA C 13 52.500 0.200 . 1 . . . . 93 ALA CA . 19125 1 398 . 1 1 93 93 ALA CB C 13 15.600 0.200 . 1 . . . . 93 ALA CB . 19125 1 399 . 1 1 93 93 ALA N N 15 123.221 0.20 . 1 . . . . 93 ALA N . 19125 1 400 . 1 1 94 94 VAL H H 1 8.032 0.02 . 1 . . . . 94 VAL H . 19125 1 401 . 1 1 94 94 VAL C C 13 176.242 0.20 . 1 . . . . 94 VAL C . 19125 1 402 . 1 1 94 94 VAL CA C 13 64.600 0.200 . 1 . . . . 94 VAL CA . 19125 1 403 . 1 1 94 94 VAL CB C 13 36.400 0.200 . 1 . . . . 94 VAL CB . 19125 1 404 . 1 1 94 94 VAL N N 15 119.183 0.20 . 1 . . . . 94 VAL N . 19125 1 405 . 1 1 95 95 ARG H H 1 7.602 0.02 . 1 . . . . 95 ARG H . 19125 1 406 . 1 1 95 95 ARG C C 13 175.589 0.20 . 1 . . . . 95 ARG C . 19125 1 407 . 1 1 95 95 ARG CA C 13 56.700 0.200 . 1 . . . . 95 ARG CA . 19125 1 408 . 1 1 95 95 ARG CB C 13 27.100 0.200 . 1 . . . . 95 ARG CB . 19125 1 409 . 1 1 95 95 ARG CD C 13 43.300 0.200 . 1 . . . . 95 ARG CD . 19125 1 410 . 1 1 95 95 ARG N N 15 119.248 0.20 . 1 . . . . 95 ARG N . 19125 1 411 . 1 1 96 96 LEU H H 1 8.345 0.02 . 1 . . . . 96 LEU H . 19125 1 412 . 1 1 96 96 LEU C C 13 176.903 0.20 . 1 . . . . 96 LEU C . 19125 1 413 . 1 1 96 96 LEU CA C 13 55.200 0.200 . 1 . . . . 96 LEU CA . 19125 1 414 . 1 1 96 96 LEU CB C 13 39.000 0.200 . 1 . . . . 96 LEU CB . 19125 1 415 . 1 1 96 96 LEU N N 15 121.143 0.20 . 1 . . . . 96 LEU N . 19125 1 416 . 1 1 97 97 ARG H H 1 8.603 0.02 . 1 . . . . 97 ARG H . 19125 1 417 . 1 1 97 97 ARG C C 13 176.694 0.20 . 1 . . . . 97 ARG C . 19125 1 418 . 1 1 97 97 ARG CA C 13 57.200 0.200 . 1 . . . . 97 ARG CA . 19125 1 419 . 1 1 97 97 ARG CB C 13 27.300 0.200 . 1 . . . . 97 ARG CB . 19125 1 420 . 1 1 97 97 ARG CD C 13 43.300 0.200 . 1 . . . . 97 ARG CD . 19125 1 421 . 1 1 97 97 ARG N N 15 120.546 0.20 . 1 . . . . 97 ARG N . 19125 1 422 . 1 1 98 98 GLU H H 1 7.829 0.02 . 1 . . . . 98 GLU H . 19125 1 423 . 1 1 98 98 GLU C C 13 177.038 0.20 . 1 . . . . 98 GLU C . 19125 1 424 . 1 1 98 98 GLU CA C 13 56.400 0.200 . 1 . . . . 98 GLU CA . 19125 1 425 . 1 1 98 98 GLU CB C 13 27.100 0.200 . 1 . . . . 98 GLU CB . 19125 1 426 . 1 1 98 98 GLU N N 15 118.956 0.20 . 1 . . . . 98 GLU N . 19125 1 427 . 1 1 99 99 GLN H H 1 8.955 0.02 . 1 . . . . 99 GLN H . 19125 1 428 . 1 1 99 99 GLN C C 13 176.920 0.20 . 1 . . . . 99 GLN C . 19125 1 429 . 1 1 99 99 GLN CA C 13 55.700 0.200 . 1 . . . . 99 GLN CA . 19125 1 430 . 1 1 99 99 GLN CB C 13 26.700 0.200 . 1 . . . . 99 GLN CB . 19125 1 431 . 1 1 99 99 GLN N N 15 117.784 0.20 . 1 . . . . 99 GLN N . 19125 1 432 . 1 1 100 100 GLY H H 1 9.417 0.02 . 1 . . . . 100 GLY H . 19125 1 433 . 1 1 100 100 GLY C C 13 172.576 0.20 . 1 . . . . 100 GLY C . 19125 1 434 . 1 1 100 100 GLY CA C 13 43.400 0.200 . 1 . . . . 100 GLY CA . 19125 1 435 . 1 1 100 100 GLY N N 15 108.845 0.20 . 1 . . . . 100 GLY N . 19125 1 436 . 1 1 101 101 GLY H H 1 7.680 0.02 . 1 . . . . 101 GLY H . 19125 1 437 . 1 1 101 101 GLY C C 13 173.297 0.20 . 1 . . . . 101 GLY C . 19125 1 438 . 1 1 101 101 GLY CA C 13 44.900 0.200 . 1 . . . . 101 GLY CA . 19125 1 439 . 1 1 101 101 GLY N N 15 108.347 0.20 . 1 . . . . 101 GLY N . 19125 1 440 . 1 1 102 102 ALA H H 1 7.320 0.02 . 1 . . . . 102 ALA H . 19125 1 441 . 1 1 102 102 ALA C C 13 177.734 0.20 . 1 . . . . 102 ALA C . 19125 1 442 . 1 1 102 102 ALA CA C 13 52.500 0.200 . 1 . . . . 102 ALA CA . 19125 1 443 . 1 1 102 102 ALA CB C 13 15.400 0.200 . 1 . . . . 102 ALA CB . 19125 1 444 . 1 1 102 102 ALA N N 15 122.453 0.20 . 1 . . . . 102 ALA N . 19125 1 445 . 1 1 103 103 VAL H H 1 7.015 0.02 . 1 . . . . 103 VAL H . 19125 1 446 . 1 1 103 103 VAL C C 13 178.320 0.20 . 1 . . . . 103 VAL C . 19125 1 447 . 1 1 103 103 VAL CA C 13 62.800 0.200 . 1 . . . . 103 VAL CA . 19125 1 448 . 1 1 103 103 VAL CB C 13 33.700 0.200 . 1 . . . . 103 VAL CB . 19125 1 449 . 1 1 103 103 VAL N N 15 118.962 0.20 . 1 . . . . 103 VAL N . 19125 1 450 . 1 1 104 104 LEU H H 1 7.594 0.02 . 1 . . . . 104 LEU H . 19125 1 451 . 1 1 104 104 LEU C C 13 175.589 0.20 . 1 . . . . 104 LEU C . 19125 1 452 . 1 1 104 104 LEU CA C 13 55.100 0.200 . 1 . . . . 104 LEU CA . 19125 1 453 . 1 1 104 104 LEU CB C 13 38.000 0.200 . 1 . . . . 104 LEU CB . 19125 1 454 . 1 1 104 104 LEU N N 15 121.407 0.20 . 1 . . . . 104 LEU N . 19125 1 455 . 1 1 105 105 ARG H H 1 8.353 0.02 . 1 . . . . 105 ARG H . 19125 1 456 . 1 1 105 105 ARG C C 13 176.491 0.20 . 1 . . . . 105 ARG C . 19125 1 457 . 1 1 105 105 ARG CA C 13 57.200 0.200 . 1 . . . . 105 ARG CA . 19125 1 458 . 1 1 105 105 ARG CB C 13 26.800 0.200 . 1 . . . . 105 ARG CB . 19125 1 459 . 1 1 105 105 ARG CD C 13 43.300 0.200 . 1 . . . . 105 ARG CD . 19125 1 460 . 1 1 105 105 ARG N N 15 119.983 0.20 . 1 . . . . 105 ARG N . 19125 1 461 . 1 1 106 106 GLN H H 1 7.383 0.02 . 1 . . . . 106 GLN H . 19125 1 462 . 1 1 106 106 GLN C C 13 175.605 0.20 . 1 . . . . 106 GLN C . 19125 1 463 . 1 1 106 106 GLN CA C 13 55.600 0.200 . 1 . . . . 106 GLN CA . 19125 1 464 . 1 1 106 106 GLN CB C 13 25.100 0.200 . 1 . . . . 106 GLN CB . 19125 1 465 . 1 1 106 106 GLN N N 15 117.527 0.20 . 1 . . . . 106 GLN N . 19125 1 466 . 1 1 107 107 ALA H H 1 8.103 0.02 . 1 . . . . 107 ALA H . 19125 1 467 . 1 1 107 107 ALA C C 13 176.145 0.20 . 1 . . . . 107 ALA C . 19125 1 468 . 1 1 107 107 ALA CA C 13 52.300 0.200 . 1 . . . . 107 ALA CA . 19125 1 469 . 1 1 107 107 ALA CB C 13 16.800 0.200 . 1 . . . . 107 ALA CB . 19125 1 470 . 1 1 107 107 ALA N N 15 123.630 0.20 . 1 . . . . 107 ALA N . 19125 1 471 . 1 1 108 108 ARG H H 1 8.118 0.02 . 1 . . . . 108 ARG H . 19125 1 472 . 1 1 108 108 ARG C C 13 175.753 0.20 . 1 . . . . 108 ARG C . 19125 1 473 . 1 1 108 108 ARG CA C 13 56.600 0.200 . 1 . . . . 108 ARG CA . 19125 1 474 . 1 1 108 108 ARG CB C 13 27.300 0.200 . 1 . . . . 108 ARG CB . 19125 1 475 . 1 1 108 108 ARG CD C 13 43.300 0.200 . 1 . . . . 108 ARG CD . 19125 1 476 . 1 1 108 108 ARG N N 15 118.914 0.20 . 1 . . . . 108 ARG N . 19125 1 477 . 1 1 109 109 ARG H H 1 7.148 0.02 . 1 . . . . 109 ARG H . 19125 1 478 . 1 1 109 109 ARG CA C 13 55.900 0.200 . 1 . . . . 109 ARG CA . 19125 1 479 . 1 1 109 109 ARG CD C 13 43.300 0.200 . 1 . . . . 109 ARG CD . 19125 1 480 . 1 1 109 109 ARG N N 15 116.967 0.20 . 1 . . . . 109 ARG N . 19125 1 481 . 1 1 110 110 GLN C C 13 175.861 0.20 . 1 . . . . 110 GLN C . 19125 1 482 . 1 1 110 110 GLN CA C 13 55.900 0.200 . 1 . . . . 110 GLN CA . 19125 1 483 . 1 1 110 110 GLN CB C 13 25.700 0.200 . 1 . . . . 110 GLN CB . 19125 1 484 . 1 1 111 111 ALA H H 1 8.267 0.02 . 1 . . . . 111 ALA H . 19125 1 485 . 1 1 111 111 ALA C C 13 177.157 0.20 . 1 . . . . 111 ALA C . 19125 1 486 . 1 1 111 111 ALA CA C 13 52.200 0.200 . 1 . . . . 111 ALA CA . 19125 1 487 . 1 1 111 111 ALA CB C 13 14.900 0.200 . 1 . . . . 111 ALA CB . 19125 1 488 . 1 1 111 111 ALA N N 15 122.945 0.20 . 1 . . . . 111 ALA N . 19125 1 489 . 1 1 112 112 GLU H H 1 8.056 0.02 . 1 . . . . 112 GLU H . 19125 1 490 . 1 1 112 112 GLU C C 13 176.805 0.20 . 1 . . . . 112 GLU C . 19125 1 491 . 1 1 112 112 GLU CA C 13 55.900 0.200 . 1 . . . . 112 GLU CA . 19125 1 492 . 1 1 112 112 GLU CB C 13 26.600 0.200 . 1 . . . . 112 GLU CB . 19125 1 493 . 1 1 112 112 GLU N N 15 117.767 0.20 . 1 . . . . 112 GLU N . 19125 1 494 . 1 1 113 113 LYS H H 1 7.555 0.02 . 1 . . . . 113 LYS H . 19125 1 495 . 1 1 113 113 LYS C C 13 174.978 0.20 . 1 . . . . 113 LYS C . 19125 1 496 . 1 1 113 113 LYS CA C 13 54.800 0.200 . 1 . . . . 113 LYS CA . 19125 1 497 . 1 1 113 113 LYS CB C 13 29.500 0.200 . 1 . . . . 113 LYS CB . 19125 1 498 . 1 1 113 113 LYS CE C 13 42.100 0.200 . 1 . . . . 113 LYS CE . 19125 1 499 . 1 1 113 113 LYS N N 15 118.698 0.20 . 1 . . . . 113 LYS N . 19125 1 500 . 1 1 114 114 MET H H 1 7.633 0.02 . 1 . . . . 114 MET H . 19125 1 501 . 1 1 114 114 MET C C 13 173.498 0.20 . 1 . . . . 114 MET C . 19125 1 502 . 1 1 114 114 MET CA C 13 53.700 0.200 . 1 . . . . 114 MET CA . 19125 1 503 . 1 1 114 114 MET CB C 13 30.800 0.200 . 1 . . . . 114 MET CB . 19125 1 504 . 1 1 114 114 MET N N 15 117.105 0.20 . 1 . . . . 114 MET N . 19125 1 505 . 1 1 115 115 GLY H H 1 7.915 0.02 . 1 . . . . 115 GLY H . 19125 1 506 . 1 1 115 115 GLY C C 13 171.468 0.20 . 1 . . . . 115 GLY C . 19125 1 507 . 1 1 115 115 GLY CA C 13 43.000 0.200 . 1 . . . . 115 GLY CA . 19125 1 508 . 1 1 115 115 GLY N N 15 108.310 0.20 . 1 . . . . 115 GLY N . 19125 1 509 . 1 1 116 116 ILE H H 1 7.774 0.02 . 1 . . . . 116 ILE H . 19125 1 510 . 1 1 116 116 ILE C C 13 171.885 0.20 . 1 . . . . 116 ILE C . 19125 1 511 . 1 1 116 116 ILE CA C 13 58.000 0.200 . 1 . . . . 116 ILE CA . 19125 1 512 . 1 1 116 116 ILE CB C 13 35.600 0.200 . 1 . . . . 116 ILE CB . 19125 1 513 . 1 1 116 116 ILE N N 15 119.095 0.20 . 1 . . . . 116 ILE N . 19125 1 514 . 1 1 117 117 ASP H H 1 7.883 0.02 . 1 . . . . 117 ASP H . 19125 1 515 . 1 1 117 117 ASP N N 15 129.346 0.20 . 1 . . . . 117 ASP N . 19125 1 stop_ save_