data_27216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27216 _Entry.Title ; Chemical shift assignments of prothymosin alpha in complex with Histone H1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-14 _Entry.Accession_date 2017-08-14 _Entry.Last_release_date 2017-08-14 _Entry.Original_release_date 2017-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Chemical shift assignments of prothymosin alpha in complex with Histone H1 at 10 degrees celcius, pH 7.4 and 165 mM ionic strength. ; _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.ORCID _Entry_author.Entry_ID 1 Katrine Bugge . . . . 27216 2 Birthe Kragelund . B. . . 27216 3 Catarina Fernandes . B. . . 27216 4 Alessandro Borgia . . . . 27216 5 Madeleine Borgia . B. . . 27216 6 Petur Heidarsson . O. . . 27216 7 Benjamin Schuler . . . . 27216 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Copenhagen' . 27216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 172 27216 '15N chemical shifts' 102 27216 '1H chemical shifts' 99 27216 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 . . 2018-03-28 2017-08-14 update BMRB 'update entry citation' 27216 1 . . 2018-02-12 2017-08-14 original author 'original release' 27216 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27215 'prothymosin alpha' 27216 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nature25762 _Citation.PubMed_ID 29466338 _Citation.Full_citation . _Citation.Title ; Extreme disorder in an ultrahigh-affinity protein complex. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 555 _Citation.Journal_issue 7694 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 61 _Citation.Page_last 66 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alessandro Borgia . . . . 27216 1 2 Madeleine Borgia . B. . . 27216 1 3 Katrine Bugge . . . . 27216 1 4 Vera Kissling . M. . . 27216 1 5 Petur Heidarsson . O. . . 27216 1 6 Catarina Fernandes . B. . . 27216 1 7 Andrea Sottini . . . . 27216 1 8 Andrea Soranno . . . . 27216 1 9 Karin Buholzer . J. . . 27216 1 10 Daniel Nettels . . . . 27216 1 11 Birthe Kragelund . B. . . 27216 1 12 Robert Best . B. . . 27216 1 13 Benjamin Schuler . . . . 27216 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'high affinity' 27216 1 'intrinsically disordered' 27216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27216 _Assembly.ID 1 _Assembly.Name 'prothymosin alpha in complex with Histone H1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Prothymosin alpha' 1 $Prothymosin_alpha A . yes 'intrinsically disordered' no no . . . 27216 1 2 'Histone H1' 2 $Histone_H1 A . no 'partially disordered' no no . . . 27216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prothymosin_alpha _Entity.Sf_category entity _Entity.Sf_framecode Prothymosin_alpha _Entity.Entry_ID 27216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prothymosin_alpha _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 ; GPMSDAAVDTSSEITTKDLK EKKEVVEEAENGRDAPANGN ANEENGEQEADNEVDEEEEE GGEEEEEEEEGDGEEEDGDE DEEAESATGKRAAEDDEDDD VDTKKQKTDEDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GP is leftover from cleavage from a tag, and residue numbering does not include these first two residues.' _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 27216 1 2 0 PRO . 27216 1 3 1 MET . 27216 1 4 2 SER . 27216 1 5 3 ASP . 27216 1 6 4 ALA . 27216 1 7 5 ALA . 27216 1 8 6 VAL . 27216 1 9 7 ASP . 27216 1 10 8 THR . 27216 1 11 9 SER . 27216 1 12 10 SER . 27216 1 13 11 GLU . 27216 1 14 12 ILE . 27216 1 15 13 THR . 27216 1 16 14 THR . 27216 1 17 15 LYS . 27216 1 18 16 ASP . 27216 1 19 17 LEU . 27216 1 20 18 LYS . 27216 1 21 19 GLU . 27216 1 22 20 LYS . 27216 1 23 21 LYS . 27216 1 24 22 GLU . 27216 1 25 23 VAL . 27216 1 26 24 VAL . 27216 1 27 25 GLU . 27216 1 28 26 GLU . 27216 1 29 27 ALA . 27216 1 30 28 GLU . 27216 1 31 29 ASN . 27216 1 32 30 GLY . 27216 1 33 31 ARG . 27216 1 34 32 ASP . 27216 1 35 33 ALA . 27216 1 36 34 PRO . 27216 1 37 35 ALA . 27216 1 38 36 ASN . 27216 1 39 37 GLY . 27216 1 40 38 ASN . 27216 1 41 39 ALA . 27216 1 42 40 ASN . 27216 1 43 41 GLU . 27216 1 44 42 GLU . 27216 1 45 43 ASN . 27216 1 46 44 GLY . 27216 1 47 45 GLU . 27216 1 48 46 GLN . 27216 1 49 47 GLU . 27216 1 50 48 ALA . 27216 1 51 49 ASP . 27216 1 52 50 ASN . 27216 1 53 51 GLU . 27216 1 54 52 VAL . 27216 1 55 53 ASP . 27216 1 56 54 GLU . 27216 1 57 55 GLU . 27216 1 58 56 GLU . 27216 1 59 57 GLU . 27216 1 60 58 GLU . 27216 1 61 59 GLY . 27216 1 62 60 GLY . 27216 1 63 61 GLU . 27216 1 64 62 GLU . 27216 1 65 63 GLU . 27216 1 66 64 GLU . 27216 1 67 65 GLU . 27216 1 68 66 GLU . 27216 1 69 67 GLU . 27216 1 70 68 GLU . 27216 1 71 69 GLY . 27216 1 72 70 ASP . 27216 1 73 71 GLY . 27216 1 74 72 GLU . 27216 1 75 73 GLU . 27216 1 76 74 GLU . 27216 1 77 75 ASP . 27216 1 78 76 GLY . 27216 1 79 77 ASP . 27216 1 80 78 GLU . 27216 1 81 79 ASP . 27216 1 82 80 GLU . 27216 1 83 81 GLU . 27216 1 84 82 ALA . 27216 1 85 83 GLU . 27216 1 86 84 SER . 27216 1 87 85 ALA . 27216 1 88 86 THR . 27216 1 89 87 GLY . 27216 1 90 88 LYS . 27216 1 91 89 ARG . 27216 1 92 90 ALA . 27216 1 93 91 ALA . 27216 1 94 92 GLU . 27216 1 95 93 ASP . 27216 1 96 94 ASP . 27216 1 97 95 GLU . 27216 1 98 96 ASP . 27216 1 99 97 ASP . 27216 1 100 98 ASP . 27216 1 101 99 VAL . 27216 1 102 100 ASP . 27216 1 103 101 THR . 27216 1 104 102 LYS . 27216 1 105 103 LYS . 27216 1 106 104 GLN . 27216 1 107 105 LYS . 27216 1 108 106 THR . 27216 1 109 107 ASP . 27216 1 110 108 GLU . 27216 1 111 109 ASP . 27216 1 112 110 ASP . 27216 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 27216 1 . PRO 2 2 27216 1 . MET 3 3 27216 1 . SER 4 4 27216 1 . ASP 5 5 27216 1 . ALA 6 6 27216 1 . ALA 7 7 27216 1 . VAL 8 8 27216 1 . ASP 9 9 27216 1 . THR 10 10 27216 1 . SER 11 11 27216 1 . SER 12 12 27216 1 . GLU 13 13 27216 1 . ILE 14 14 27216 1 . THR 15 15 27216 1 . THR 16 16 27216 1 . LYS 17 17 27216 1 . ASP 18 18 27216 1 . LEU 19 19 27216 1 . LYS 20 20 27216 1 . GLU 21 21 27216 1 . LYS 22 22 27216 1 . LYS 23 23 27216 1 . GLU 24 24 27216 1 . VAL 25 25 27216 1 . VAL 26 26 27216 1 . GLU 27 27 27216 1 . GLU 28 28 27216 1 . ALA 29 29 27216 1 . GLU 30 30 27216 1 . ASN 31 31 27216 1 . GLY 32 32 27216 1 . ARG 33 33 27216 1 . ASP 34 34 27216 1 . ALA 35 35 27216 1 . PRO 36 36 27216 1 . ALA 37 37 27216 1 . ASN 38 38 27216 1 . GLY 39 39 27216 1 . ASN 40 40 27216 1 . ALA 41 41 27216 1 . ASN 42 42 27216 1 . GLU 43 43 27216 1 . GLU 44 44 27216 1 . ASN 45 45 27216 1 . GLY 46 46 27216 1 . GLU 47 47 27216 1 . GLN 48 48 27216 1 . GLU 49 49 27216 1 . ALA 50 50 27216 1 . ASP 51 51 27216 1 . ASN 52 52 27216 1 . GLU 53 53 27216 1 . VAL 54 54 27216 1 . ASP 55 55 27216 1 . GLU 56 56 27216 1 . GLU 57 57 27216 1 . GLU 58 58 27216 1 . GLU 59 59 27216 1 . GLU 60 60 27216 1 . GLY 61 61 27216 1 . GLY 62 62 27216 1 . GLU 63 63 27216 1 . GLU 64 64 27216 1 . GLU 65 65 27216 1 . GLU 66 66 27216 1 . GLU 67 67 27216 1 . GLU 68 68 27216 1 . GLU 69 69 27216 1 . GLU 70 70 27216 1 . GLY 71 71 27216 1 . ASP 72 72 27216 1 . GLY 73 73 27216 1 . GLU 74 74 27216 1 . GLU 75 75 27216 1 . GLU 76 76 27216 1 . ASP 77 77 27216 1 . GLY 78 78 27216 1 . ASP 79 79 27216 1 . GLU 80 80 27216 1 . ASP 81 81 27216 1 . GLU 82 82 27216 1 . GLU 83 83 27216 1 . ALA 84 84 27216 1 . GLU 85 85 27216 1 . SER 86 86 27216 1 . ALA 87 87 27216 1 . THR 88 88 27216 1 . GLY 89 89 27216 1 . LYS 90 90 27216 1 . ARG 91 91 27216 1 . ALA 92 92 27216 1 . ALA 93 93 27216 1 . GLU 94 94 27216 1 . ASP 95 95 27216 1 . ASP 96 96 27216 1 . GLU 97 97 27216 1 . ASP 98 98 27216 1 . ASP 99 99 27216 1 . ASP 100 100 27216 1 . VAL 101 101 27216 1 . ASP 102 102 27216 1 . THR 103 103 27216 1 . LYS 104 104 27216 1 . LYS 105 105 27216 1 . GLN 106 106 27216 1 . LYS 107 107 27216 1 . THR 108 108 27216 1 . ASP 109 109 27216 1 . GLU 110 110 27216 1 . ASP 111 111 27216 1 . ASP 112 112 27216 1 stop_ save_ save_Histone_H1 _Entity.Sf_category entity _Entity.Sf_framecode Histone_H1 _Entity.Entry_ID 27216 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Histone_H1 _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 ; TENSTSAPAAKPKRAKASKK STDHPKYSDMIVAAIQAEKN RAGSSRQSIQKYIKSHYKVG ENADSQIKLSIKRLVTTGVL KQTKGVGASGSFRLAKSDEP KKSVAFKKTKKEIKKVATPK KASKPKKAASKAPTKKPKAT PVKKAKKKLAATPKKAKKPK TVKAKPVKASKPKKAKPVKP KAKSSAKRAGKKKGGPR ; _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 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . THR . 27216 2 2 . GLU . 27216 2 3 . ASN . 27216 2 4 . SER . 27216 2 5 . THR . 27216 2 6 . SER . 27216 2 7 . ALA . 27216 2 8 . PRO . 27216 2 9 . ALA . 27216 2 10 . ALA . 27216 2 11 . LYS . 27216 2 12 . PRO . 27216 2 13 . LYS . 27216 2 14 . ARG . 27216 2 15 . ALA . 27216 2 16 . LYS . 27216 2 17 . ALA . 27216 2 18 . SER . 27216 2 19 . LYS . 27216 2 20 . LYS . 27216 2 21 . SER . 27216 2 22 . THR . 27216 2 23 . ASP . 27216 2 24 . HIS . 27216 2 25 . PRO . 27216 2 26 . LYS . 27216 2 27 . TYR . 27216 2 28 . SER . 27216 2 29 . ASP . 27216 2 30 . MET . 27216 2 31 . ILE . 27216 2 32 . VAL . 27216 2 33 . ALA . 27216 2 34 . ALA . 27216 2 35 . ILE . 27216 2 36 . GLN . 27216 2 37 . ALA . 27216 2 38 . GLU . 27216 2 39 . LYS . 27216 2 40 . ASN . 27216 2 41 . ARG . 27216 2 42 . ALA . 27216 2 43 . GLY . 27216 2 44 . SER . 27216 2 45 . SER . 27216 2 46 . ARG . 27216 2 47 . GLN . 27216 2 48 . SER . 27216 2 49 . ILE . 27216 2 50 . GLN . 27216 2 51 . LYS . 27216 2 52 . TYR . 27216 2 53 . ILE . 27216 2 54 . LYS . 27216 2 55 . SER . 27216 2 56 . HIS . 27216 2 57 . TYR . 27216 2 58 . LYS . 27216 2 59 . VAL . 27216 2 60 . GLY . 27216 2 61 . GLU . 27216 2 62 . ASN . 27216 2 63 . ALA . 27216 2 64 . ASP . 27216 2 65 . SER . 27216 2 66 . GLN . 27216 2 67 . ILE . 27216 2 68 . LYS . 27216 2 69 . LEU . 27216 2 70 . SER . 27216 2 71 . ILE . 27216 2 72 . LYS . 27216 2 73 . ARG . 27216 2 74 . LEU . 27216 2 75 . VAL . 27216 2 76 . THR . 27216 2 77 . THR . 27216 2 78 . GLY . 27216 2 79 . VAL . 27216 2 80 . LEU . 27216 2 81 . LYS . 27216 2 82 . GLN . 27216 2 83 . THR . 27216 2 84 . LYS . 27216 2 85 . GLY . 27216 2 86 . VAL . 27216 2 87 . GLY . 27216 2 88 . ALA . 27216 2 89 . SER . 27216 2 90 . GLY . 27216 2 91 . SER . 27216 2 92 . PHE . 27216 2 93 . ARG . 27216 2 94 . LEU . 27216 2 95 . ALA . 27216 2 96 . LYS . 27216 2 97 . SER . 27216 2 98 . ASP . 27216 2 99 . GLU . 27216 2 100 . PRO . 27216 2 101 . LYS . 27216 2 102 . LYS . 27216 2 103 . SER . 27216 2 104 . VAL . 27216 2 105 . ALA . 27216 2 106 . PHE . 27216 2 107 . LYS . 27216 2 108 . LYS . 27216 2 109 . THR . 27216 2 110 . LYS . 27216 2 111 . LYS . 27216 2 112 . GLU . 27216 2 113 . ILE . 27216 2 114 . LYS . 27216 2 115 . LYS . 27216 2 116 . VAL . 27216 2 117 . ALA . 27216 2 118 . THR . 27216 2 119 . PRO . 27216 2 120 . LYS . 27216 2 121 . LYS . 27216 2 122 . ALA . 27216 2 123 . SER . 27216 2 124 . LYS . 27216 2 125 . PRO . 27216 2 126 . LYS . 27216 2 127 . LYS . 27216 2 128 . ALA . 27216 2 129 . ALA . 27216 2 130 . SER . 27216 2 131 . LYS . 27216 2 132 . ALA . 27216 2 133 . PRO . 27216 2 134 . THR . 27216 2 135 . LYS . 27216 2 136 . LYS . 27216 2 137 . PRO . 27216 2 138 . LYS . 27216 2 139 . ALA . 27216 2 140 . THR . 27216 2 141 . PRO . 27216 2 142 . VAL . 27216 2 143 . LYS . 27216 2 144 . LYS . 27216 2 145 . ALA . 27216 2 146 . LYS . 27216 2 147 . LYS . 27216 2 148 . LYS . 27216 2 149 . LEU . 27216 2 150 . ALA . 27216 2 151 . ALA . 27216 2 152 . THR . 27216 2 153 . PRO . 27216 2 154 . LYS . 27216 2 155 . LYS . 27216 2 156 . ALA . 27216 2 157 . LYS . 27216 2 158 . LYS . 27216 2 159 . PRO . 27216 2 160 . LYS . 27216 2 161 . THR . 27216 2 162 . VAL . 27216 2 163 . LYS . 27216 2 164 . ALA . 27216 2 165 . LYS . 27216 2 166 . PRO . 27216 2 167 . VAL . 27216 2 168 . LYS . 27216 2 169 . ALA . 27216 2 170 . SER . 27216 2 171 . LYS . 27216 2 172 . PRO . 27216 2 173 . LYS . 27216 2 174 . LYS . 27216 2 175 . ALA . 27216 2 176 . LYS . 27216 2 177 . PRO . 27216 2 178 . VAL . 27216 2 179 . LYS . 27216 2 180 . PRO . 27216 2 181 . LYS . 27216 2 182 . ALA . 27216 2 183 . LYS . 27216 2 184 . SER . 27216 2 185 . SER . 27216 2 186 . ALA . 27216 2 187 . LYS . 27216 2 188 . ARG . 27216 2 189 . ALA . 27216 2 190 . GLY . 27216 2 191 . LYS . 27216 2 192 . LYS . 27216 2 193 . LYS . 27216 2 194 . GLY . 27216 2 195 . GLY . 27216 2 196 . PRO . 27216 2 197 . ARG . 27216 2 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 . THR 1 1 27216 2 . GLU 2 2 27216 2 . ASN 3 3 27216 2 . SER 4 4 27216 2 . THR 5 5 27216 2 . SER 6 6 27216 2 . ALA 7 7 27216 2 . PRO 8 8 27216 2 . ALA 9 9 27216 2 . ALA 10 10 27216 2 . LYS 11 11 27216 2 . PRO 12 12 27216 2 . LYS 13 13 27216 2 . ARG 14 14 27216 2 . ALA 15 15 27216 2 . LYS 16 16 27216 2 . ALA 17 17 27216 2 . SER 18 18 27216 2 . LYS 19 19 27216 2 . LYS 20 20 27216 2 . SER 21 21 27216 2 . THR 22 22 27216 2 . ASP 23 23 27216 2 . HIS 24 24 27216 2 . PRO 25 25 27216 2 . LYS 26 26 27216 2 . TYR 27 27 27216 2 . SER 28 28 27216 2 . ASP 29 29 27216 2 . MET 30 30 27216 2 . ILE 31 31 27216 2 . VAL 32 32 27216 2 . ALA 33 33 27216 2 . ALA 34 34 27216 2 . ILE 35 35 27216 2 . GLN 36 36 27216 2 . ALA 37 37 27216 2 . GLU 38 38 27216 2 . LYS 39 39 27216 2 . ASN 40 40 27216 2 . ARG 41 41 27216 2 . ALA 42 42 27216 2 . GLY 43 43 27216 2 . SER 44 44 27216 2 . SER 45 45 27216 2 . ARG 46 46 27216 2 . GLN 47 47 27216 2 . SER 48 48 27216 2 . ILE 49 49 27216 2 . GLN 50 50 27216 2 . LYS 51 51 27216 2 . TYR 52 52 27216 2 . ILE 53 53 27216 2 . LYS 54 54 27216 2 . SER 55 55 27216 2 . HIS 56 56 27216 2 . TYR 57 57 27216 2 . LYS 58 58 27216 2 . VAL 59 59 27216 2 . GLY 60 60 27216 2 . GLU 61 61 27216 2 . ASN 62 62 27216 2 . ALA 63 63 27216 2 . ASP 64 64 27216 2 . SER 65 65 27216 2 . GLN 66 66 27216 2 . ILE 67 67 27216 2 . LYS 68 68 27216 2 . LEU 69 69 27216 2 . SER 70 70 27216 2 . ILE 71 71 27216 2 . LYS 72 72 27216 2 . ARG 73 73 27216 2 . LEU 74 74 27216 2 . VAL 75 75 27216 2 . THR 76 76 27216 2 . THR 77 77 27216 2 . GLY 78 78 27216 2 . VAL 79 79 27216 2 . LEU 80 80 27216 2 . LYS 81 81 27216 2 . GLN 82 82 27216 2 . THR 83 83 27216 2 . LYS 84 84 27216 2 . GLY 85 85 27216 2 . VAL 86 86 27216 2 . GLY 87 87 27216 2 . ALA 88 88 27216 2 . SER 89 89 27216 2 . GLY 90 90 27216 2 . SER 91 91 27216 2 . PHE 92 92 27216 2 . ARG 93 93 27216 2 . LEU 94 94 27216 2 . ALA 95 95 27216 2 . LYS 96 96 27216 2 . SER 97 97 27216 2 . ASP 98 98 27216 2 . GLU 99 99 27216 2 . PRO 100 100 27216 2 . LYS 101 101 27216 2 . LYS 102 102 27216 2 . SER 103 103 27216 2 . VAL 104 104 27216 2 . ALA 105 105 27216 2 . PHE 106 106 27216 2 . LYS 107 107 27216 2 . LYS 108 108 27216 2 . THR 109 109 27216 2 . LYS 110 110 27216 2 . LYS 111 111 27216 2 . GLU 112 112 27216 2 . ILE 113 113 27216 2 . LYS 114 114 27216 2 . LYS 115 115 27216 2 . VAL 116 116 27216 2 . ALA 117 117 27216 2 . THR 118 118 27216 2 . PRO 119 119 27216 2 . LYS 120 120 27216 2 . LYS 121 121 27216 2 . ALA 122 122 27216 2 . SER 123 123 27216 2 . LYS 124 124 27216 2 . PRO 125 125 27216 2 . LYS 126 126 27216 2 . LYS 127 127 27216 2 . ALA 128 128 27216 2 . ALA 129 129 27216 2 . SER 130 130 27216 2 . LYS 131 131 27216 2 . ALA 132 132 27216 2 . PRO 133 133 27216 2 . THR 134 134 27216 2 . LYS 135 135 27216 2 . LYS 136 136 27216 2 . PRO 137 137 27216 2 . LYS 138 138 27216 2 . ALA 139 139 27216 2 . THR 140 140 27216 2 . PRO 141 141 27216 2 . VAL 142 142 27216 2 . LYS 143 143 27216 2 . LYS 144 144 27216 2 . ALA 145 145 27216 2 . LYS 146 146 27216 2 . LYS 147 147 27216 2 . LYS 148 148 27216 2 . LEU 149 149 27216 2 . ALA 150 150 27216 2 . ALA 151 151 27216 2 . THR 152 152 27216 2 . PRO 153 153 27216 2 . LYS 154 154 27216 2 . LYS 155 155 27216 2 . ALA 156 156 27216 2 . LYS 157 157 27216 2 . LYS 158 158 27216 2 . PRO 159 159 27216 2 . LYS 160 160 27216 2 . THR 161 161 27216 2 . VAL 162 162 27216 2 . LYS 163 163 27216 2 . ALA 164 164 27216 2 . LYS 165 165 27216 2 . PRO 166 166 27216 2 . VAL 167 167 27216 2 . LYS 168 168 27216 2 . ALA 169 169 27216 2 . SER 170 170 27216 2 . LYS 171 171 27216 2 . PRO 172 172 27216 2 . LYS 173 173 27216 2 . LYS 174 174 27216 2 . ALA 175 175 27216 2 . LYS 176 176 27216 2 . PRO 177 177 27216 2 . VAL 178 178 27216 2 . LYS 179 179 27216 2 . PRO 180 180 27216 2 . LYS 181 181 27216 2 . ALA 182 182 27216 2 . LYS 183 183 27216 2 . SER 184 184 27216 2 . SER 185 185 27216 2 . ALA 186 186 27216 2 . LYS 187 187 27216 2 . ARG 188 188 27216 2 . ALA 189 189 27216 2 . GLY 190 190 27216 2 . LYS 191 191 27216 2 . LYS 192 192 27216 2 . LYS 193 193 27216 2 . GLY 194 194 27216 2 . GLY 195 195 27216 2 . PRO 196 196 27216 2 . ARG 197 197 27216 2 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 27216 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Prothymosin_alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27216 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 27216 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Prothymosin_alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET47b . . . 27216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labeled prothymosin alpha in complex with unlabeled Histone H1' _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 'Prothymosin alpha' '[U-100% 13C; U-100% 15N]' . . 1 $Prothymosin_alpha . . 100 . . uM . . . . 27216 1 2 'Histone H1' 'natural abundance' . . 2 $Histone_H1 . . 80 . . uM . . . . 27216 1 3 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 27216 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27216 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27216 1 6 'TBS buffer' 'natural abundance' . . . . . . 165 . . mM . . . . 27216 1 7 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 27216 1 8 KCl 'natural abundance' . . . . . . 155 . . mM . . . . 27216 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 27216 _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' 165 . mM 27216 1 pH 7.4 . pH 27216 1 pressure 1 . atm 27216 1 temperature 283 . K 27216 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27216 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27216 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27216 1 stop_ save_ save_Ccpnmr_Analysis _Software.Sf_category software _Software.Sf_framecode Ccpnmr_Analysis _Software.Entry_ID 27216 _Software.ID 2 _Software.Type . _Software.Name Ccpnmr_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27216 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27216 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 27216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27216 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27216 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 27216 _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 . 600 . . . 27216 1 2 spectrometer_2 Bruker Avance . 750 . . . 27216 1 3 spectrometer_3 Varian INOVA . 800 . . . 27216 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 27216 _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 . . . . . . . . . . . . . . . . . . . . . 27216 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27216 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27216 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27216 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27216 1 6 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27216 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 27216 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27216 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27216 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27216 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 27216 _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' . . . 27216 1 2 '3D HNCACB' . . . 27216 1 3 '3D CBCA(CO)NH' . . . 27216 1 4 '3D HN(CO)CA' . . . 27216 1 5 '3D HNCO' . . . 27216 1 6 '3D HN(CA)NNH' . . . 27216 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27216 1 2 $Ccpnmr_Analysis . . 27216 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET CA C 13 55.619 0.000 . 1 . . . . . 1 Met CA . 27216 1 2 . 1 1 3 3 MET CB C 13 32.604 0.000 . 1 . . . . . 1 Met CB . 27216 1 3 . 1 1 3 3 MET H H 1 8.720 0.009 . 1 . . . . . 1 Met H . 27216 1 4 . 1 1 3 3 MET N N 15 120.539 0.047 . 1 . . . . . 1 Met N . 27216 1 5 . 1 1 4 4 SER CA C 13 58.604 0.000 . 1 . . . . . 2 Ser CA . 27216 1 6 . 1 1 4 4 SER CB C 13 63.811 0.000 . 1 . . . . . 2 Ser CB . 27216 1 7 . 1 1 4 4 SER H H 1 8.368 0.009 . 1 . . . . . 2 Ser H . 27216 1 8 . 1 1 4 4 SER N N 15 117.038 0.051 . 1 . . . . . 2 Ser N . 27216 1 9 . 1 1 5 5 ASP CA C 13 54.486 0.023 . 1 . . . . . 3 Asp CA . 27216 1 10 . 1 1 5 5 ASP CB C 13 41.085 0.017 . 1 . . . . . 3 Asp CB . 27216 1 11 . 1 1 5 5 ASP H H 1 8.442 0.008 . 1 . . . . . 3 Asp H . 27216 1 12 . 1 1 5 5 ASP N N 15 122.872 0.062 . 1 . . . . . 3 Asp N . 27216 1 13 . 1 1 6 6 ALA CA C 13 52.627 0.001 . 1 . . . . . 4 Ala CA . 27216 1 14 . 1 1 6 6 ALA CB C 13 19.338 0.015 . 1 . . . . . 4 Ala CB . 27216 1 15 . 1 1 6 6 ALA H H 1 8.188 0.006 . 1 . . . . . 4 Ala H . 27216 1 16 . 1 1 6 6 ALA N N 15 124.164 0.048 . 1 . . . . . 4 Ala N . 27216 1 17 . 1 1 7 7 ALA CA C 13 52.517 0.028 . 1 . . . . . 5 Ala CA . 27216 1 18 . 1 1 7 7 ALA CB C 13 19.221 0.020 . 1 . . . . . 5 Ala CB . 27216 1 19 . 1 1 7 7 ALA H H 1 8.318 0.007 . 1 . . . . . 5 Ala H . 27216 1 20 . 1 1 7 7 ALA N N 15 123.538 0.047 . 1 . . . . . 5 Ala N . 27216 1 21 . 1 1 8 8 VAL CA C 13 62.270 0.028 . 1 . . . . . 6 Val CA . 27216 1 22 . 1 1 8 8 VAL CB C 13 33.025 0.021 . 1 . . . . . 6 Val CB . 27216 1 23 . 1 1 8 8 VAL H H 1 8.132 0.007 . 1 . . . . . 6 Val H . 27216 1 24 . 1 1 8 8 VAL N N 15 119.553 0.048 . 1 . . . . . 6 Val N . 27216 1 25 . 1 1 9 9 ASP CA C 13 54.106 0.026 . 1 . . . . . 7 Asp CA . 27216 1 26 . 1 1 9 9 ASP CB C 13 41.314 0.081 . 1 . . . . . 7 Asp CB . 27216 1 27 . 1 1 9 9 ASP H H 1 8.550 0.008 . 1 . . . . . 7 Asp H . 27216 1 28 . 1 1 9 9 ASP N N 15 124.566 0.054 . 1 . . . . . 7 Asp N . 27216 1 29 . 1 1 10 10 THR CA C 13 62.029 0.082 . 1 . . . . . 8 Thr CA . 27216 1 30 . 1 1 10 10 THR CB C 13 69.417 0.016 . 1 . . . . . 8 Thr CB . 27216 1 31 . 1 1 10 10 THR H H 1 8.374 0.008 . 1 . . . . . 8 Thr H . 27216 1 32 . 1 1 10 10 THR N N 15 115.803 0.048 . 1 . . . . . 8 Thr N . 27216 1 33 . 1 1 11 11 SER CA C 13 59.227 0.023 . 1 . . . . . 9 Ser CA . 27216 1 34 . 1 1 11 11 SER CB C 13 63.803 0.014 . 1 . . . . . 9 Ser CB . 27216 1 35 . 1 1 11 11 SER H H 1 8.517 0.007 . 1 . . . . . 9 Ser H . 27216 1 36 . 1 1 11 11 SER N N 15 118.625 0.048 . 1 . . . . . 9 Ser N . 27216 1 37 . 1 1 12 12 SER CA C 13 58.683 0.000 . 1 . . . . . 10 Ser CA . 27216 1 38 . 1 1 12 12 SER CB C 13 63.802 0.028 . 1 . . . . . 10 Ser CB . 27216 1 39 . 1 1 12 12 SER H H 1 8.383 0.008 . 1 . . . . . 10 Ser H . 27216 1 40 . 1 1 12 12 SER N N 15 117.889 0.067 . 1 . . . . . 10 Ser N . 27216 1 41 . 1 1 13 13 GLU CA C 13 56.726 0.047 . 1 . . . . . 11 Glu CA . 27216 1 42 . 1 1 13 13 GLU CB C 13 30.296 0.014 . 1 . . . . . 11 Glu CB . 27216 1 43 . 1 1 13 13 GLU H H 1 8.387 0.010 . 1 . . . . . 11 Glu H . 27216 1 44 . 1 1 13 13 GLU N N 15 122.841 0.052 . 1 . . . . . 11 Glu N . 27216 1 45 . 1 1 14 14 ILE CA C 13 61.381 0.036 . 1 . . . . . 12 Ile CA . 27216 1 46 . 1 1 14 14 ILE CB C 13 38.492 0.046 . 1 . . . . . 12 Ile CB . 27216 1 47 . 1 1 14 14 ILE H H 1 8.286 0.007 . 1 . . . . . 12 Ile H . 27216 1 48 . 1 1 14 14 ILE N N 15 122.364 0.049 . 1 . . . . . 12 Ile N . 27216 1 49 . 1 1 15 15 THR CA C 13 62.001 0.091 . 1 . . . . . 13 Thr CA . 27216 1 50 . 1 1 15 15 THR CB C 13 69.936 0.025 . 1 . . . . . 13 Thr CB . 27216 1 51 . 1 1 15 15 THR H H 1 8.382 0.008 . 1 . . . . . 13 Thr H . 27216 1 52 . 1 1 15 15 THR N N 15 118.646 0.042 . 1 . . . . . 13 Thr N . 27216 1 53 . 1 1 16 16 THR CA C 13 62.250 0.015 . 1 . . . . . 14 Thr CA . 27216 1 54 . 1 1 16 16 THR CB C 13 69.703 0.054 . 1 . . . . . 14 Thr CB . 27216 1 55 . 1 1 16 16 THR H H 1 8.234 0.008 . 1 . . . . . 14 Thr H . 27216 1 56 . 1 1 16 16 THR N N 15 116.813 0.048 . 1 . . . . . 14 Thr N . 27216 1 57 . 1 1 17 17 LYS CA C 13 56.792 0.008 . 1 . . . . . 15 Lys CA . 27216 1 58 . 1 1 17 17 LYS CB C 13 33.055 0.014 . 1 . . . . . 15 Lys CB . 27216 1 59 . 1 1 17 17 LYS H H 1 8.355 0.008 . 1 . . . . . 15 Lys H . 27216 1 60 . 1 1 17 17 LYS N N 15 123.782 0.058 . 1 . . . . . 15 Lys N . 27216 1 61 . 1 1 18 18 ASP CA C 13 54.598 0.026 . 1 . . . . . 16 Asp CA . 27216 1 62 . 1 1 18 18 ASP CB C 13 41.169 0.051 . 1 . . . . . 16 Asp CB . 27216 1 63 . 1 1 18 18 ASP H H 1 8.395 0.007 . 1 . . . . . 16 Asp H . 27216 1 64 . 1 1 18 18 ASP N N 15 121.444 0.052 . 1 . . . . . 16 Asp N . 27216 1 65 . 1 1 19 19 LEU CA C 13 55.487 0.025 . 1 . . . . . 17 Leu CA . 27216 1 66 . 1 1 19 19 LEU CB C 13 42.127 0.043 . 1 . . . . . 17 Leu CB . 27216 1 67 . 1 1 19 19 LEU H H 1 8.254 0.007 . 1 . . . . . 17 Leu H . 27216 1 68 . 1 1 19 19 LEU N N 15 123.158 0.048 . 1 . . . . . 17 Leu N . 27216 1 69 . 1 1 20 20 LYS CA C 13 56.565 0.000 . 1 . . . . . 18 Lys CA . 27216 1 70 . 1 1 20 20 LYS CB C 13 32.763 0.001 . 1 . . . . . 18 Lys CB . 27216 1 71 . 1 1 20 20 LYS H H 1 8.348 0.009 . 1 . . . . . 18 Lys H . 27216 1 72 . 1 1 20 20 LYS N N 15 121.753 0.059 . 1 . . . . . 18 Lys N . 27216 1 73 . 1 1 21 21 GLU CA C 13 56.588 0.092 . 1 . . . . . 19 Glu CA . 27216 1 74 . 1 1 21 21 GLU CB C 13 30.441 0.020 . 1 . . . . . 19 Glu CB . 27216 1 75 . 1 1 21 21 GLU H H 1 8.360 0.009 . 1 . . . . . 19 Glu H . 27216 1 76 . 1 1 21 21 GLU N N 15 121.785 0.061 . 1 . . . . . 19 Glu N . 27216 1 77 . 1 1 22 22 LYS CA C 13 56.295 0.053 . 1 . . . . . 20 Lys CA . 27216 1 78 . 1 1 22 22 LYS CB C 13 33.056 0.084 . 1 . . . . . 20 Lys CB . 27216 1 79 . 1 1 22 22 LYS H H 1 8.420 0.008 . 1 . . . . . 20 Lys H . 27216 1 80 . 1 1 22 22 LYS N N 15 123.438 0.051 . 1 . . . . . 20 Lys N . 27216 1 81 . 1 1 23 23 LYS H H 1 8.451 0.007 . 1 . . . . . 21 Lys H . 27216 1 82 . 1 1 23 23 LYS N N 15 123.958 0.050 . 1 . . . . . 21 Lys N . 27216 1 83 . 1 1 24 24 GLU CA C 13 56.533 0.000 . 1 . . . . . 22 Glu CA . 27216 1 84 . 1 1 24 24 GLU CB C 13 30.458 0.000 . 1 . . . . . 22 Glu CB . 27216 1 85 . 1 1 24 24 GLU N N 15 123.160 0.005 . 1 . . . . . 22 Glu N . 27216 1 86 . 1 1 25 25 VAL CA C 13 62.393 0.033 . 1 . . . . . 23 Val CA . 27216 1 87 . 1 1 25 25 VAL CB C 13 32.927 0.071 . 1 . . . . . 23 Val CB . 27216 1 88 . 1 1 25 25 VAL H H 1 8.370 0.008 . 1 . . . . . 23 Val H . 27216 1 89 . 1 1 25 25 VAL N N 15 122.858 0.053 . 1 . . . . . 23 Val N . 27216 1 90 . 1 1 26 26 VAL CA C 13 62.279 0.033 . 1 . . . . . 24 Val CA . 27216 1 91 . 1 1 26 26 VAL CB C 13 32.877 0.025 . 1 . . . . . 24 Val CB . 27216 1 92 . 1 1 26 26 VAL H H 1 8.409 0.006 . 1 . . . . . 24 Val H . 27216 1 93 . 1 1 26 26 VAL N N 15 125.760 0.038 . 1 . . . . . 24 Val N . 27216 1 94 . 1 1 27 27 GLU CA C 13 56.551 0.000 . 1 . . . . . 25 Glu CA . 27216 1 95 . 1 1 27 27 GLU CB C 13 30.543 0.013 . 1 . . . . . 25 Glu CB . 27216 1 96 . 1 1 27 27 GLU H H 1 8.637 0.008 . 1 . . . . . 25 Glu H . 27216 1 97 . 1 1 27 27 GLU N N 15 125.852 0.033 . 1 . . . . . 25 Glu N . 27216 1 98 . 1 1 28 28 GLU CA C 13 56.569 0.041 . 1 . . . . . 26 Glu CA . 27216 1 99 . 1 1 28 28 GLU CB C 13 30.519 0.008 . 1 . . . . . 26 Glu CB . 27216 1 100 . 1 1 28 28 GLU H H 1 8.579 0.008 . 1 . . . . . 26 Glu H . 27216 1 101 . 1 1 28 28 GLU N N 15 123.102 0.059 . 1 . . . . . 26 Glu N . 27216 1 102 . 1 1 29 29 ALA CA C 13 52.524 0.006 . 1 . . . . . 27 Ala CA . 27216 1 103 . 1 1 29 29 ALA CB C 13 19.628 0.077 . 1 . . . . . 27 Ala CB . 27216 1 104 . 1 1 29 29 ALA H H 1 8.482 0.006 . 1 . . . . . 27 Ala H . 27216 1 105 . 1 1 29 29 ALA N N 15 125.662 0.122 . 1 . . . . . 27 Ala N . 27216 1 106 . 1 1 30 30 GLU CA C 13 56.748 0.000 . 1 . . . . . 28 Glu CA . 27216 1 107 . 1 1 30 30 GLU CB C 13 30.200 0.000 . 1 . . . . . 28 Glu CB . 27216 1 108 . 1 1 30 30 GLU H H 1 8.538 0.007 . 1 . . . . . 28 Glu H . 27216 1 109 . 1 1 30 30 GLU N N 15 120.559 0.114 . 1 . . . . . 28 Glu N . 27216 1 110 . 1 1 31 31 ASN CB C 13 39.063 0.058 . 1 . . . . . 29 Asn CB . 27216 1 111 . 1 1 31 31 ASN H H 1 8.532 0.008 . 1 . . . . . 29 Asn H . 27216 1 112 . 1 1 31 31 ASN N N 15 119.710 0.043 . 1 . . . . . 29 Asn N . 27216 1 113 . 1 1 32 32 GLY CA C 13 45.621 0.000 . 1 . . . . . 30 Gly CA . 27216 1 114 . 1 1 32 32 GLY H H 1 8.518 0.009 . 1 . . . . . 30 Gly H . 27216 1 115 . 1 1 32 32 GLY N N 15 109.586 0.040 . 1 . . . . . 30 Gly N . 27216 1 116 . 1 1 33 33 ARG H H 1 8.195 0.008 . 1 . . . . . 31 Arg H . 27216 1 117 . 1 1 33 33 ARG N N 15 120.460 0.033 . 1 . . . . . 31 Arg N . 27216 1 118 . 1 1 34 34 ASP CA C 13 54.223 0.023 . 1 . . . . . 32 Asp CA . 27216 1 119 . 1 1 34 34 ASP CB C 13 41.153 0.000 . 1 . . . . . 32 Asp CB . 27216 1 120 . 1 1 34 34 ASP H H 1 8.475 0.008 . 1 . . . . . 32 Asp H . 27216 1 121 . 1 1 34 34 ASP N N 15 121.169 0.033 . 1 . . . . . 32 Asp N . 27216 1 122 . 1 1 35 35 ALA CA C 13 50.614 0.000 . 1 . . . . . 33 Ala CA . 27216 1 123 . 1 1 35 35 ALA CB C 13 18.234 0.000 . 1 . . . . . 33 Ala CB . 27216 1 124 . 1 1 35 35 ALA H H 1 8.218 0.003 . 1 . . . . . 33 Ala H . 27216 1 125 . 1 1 35 35 ALA N N 15 125.472 0.039 . 1 . . . . . 33 Ala N . 27216 1 126 . 1 1 36 36 PRO CA C 13 62.912 0.000 . 1 . . . . . 34 Pro CA . 27216 1 127 . 1 1 36 36 PRO CB C 13 32.218 0.000 . 1 . . . . . 34 Pro CB . 27216 1 128 . 1 1 37 37 ALA CA C 13 52.662 0.000 . 1 . . . . . 35 Ala CA . 27216 1 129 . 1 1 37 37 ALA CB C 13 19.206 0.000 . 1 . . . . . 35 Ala CB . 27216 1 130 . 1 1 37 37 ALA H H 1 8.597 0.008 . 1 . . . . . 35 Ala H . 27216 1 131 . 1 1 37 37 ALA N N 15 124.919 0.048 . 1 . . . . . 35 Ala N . 27216 1 132 . 1 1 38 38 ASN CB C 13 39.036 0.000 . 1 . . . . . 36 Asn CB . 27216 1 133 . 1 1 38 38 ASN H H 1 8.520 0.007 . 1 . . . . . 36 Asn H . 27216 1 134 . 1 1 38 38 ASN N N 15 117.884 0.051 . 1 . . . . . 36 Asn N . 27216 1 135 . 1 1 39 39 GLY CA C 13 45.500 0.000 . 1 . . . . . 37 Gly CA . 27216 1 136 . 1 1 39 39 GLY H H 1 8.427 0.008 . 1 . . . . . 37 Gly H . 27216 1 137 . 1 1 39 39 GLY N N 15 109.462 0.061 . 1 . . . . . 37 Gly N . 27216 1 138 . 1 1 40 40 ASN CA C 13 53.176 0.000 . 1 . . . . . 38 Asn CA . 27216 1 139 . 1 1 40 40 ASN CB C 13 39.154 0.000 . 1 . . . . . 38 Asn CB . 27216 1 140 . 1 1 40 40 ASN H H 1 8.411 0.009 . 1 . . . . . 38 Asn H . 27216 1 141 . 1 1 40 40 ASN N N 15 118.849 0.059 . 1 . . . . . 38 Asn N . 27216 1 142 . 1 1 41 41 ALA CA C 13 52.907 0.000 . 1 . . . . . 39 Ala CA . 27216 1 143 . 1 1 41 41 ALA CB C 13 19.174 0.030 . 1 . . . . . 39 Ala CB . 27216 1 144 . 1 1 41 41 ALA H H 1 8.452 0.008 . 1 . . . . . 39 Ala H . 27216 1 145 . 1 1 41 41 ALA N N 15 124.742 0.046 . 1 . . . . . 39 Ala N . 27216 1 146 . 1 1 42 42 ASN CA C 13 53.263 0.006 . 1 . . . . . 40 Asn CA . 27216 1 147 . 1 1 42 42 ASN CB C 13 38.971 0.000 . 1 . . . . . 40 Asn CB . 27216 1 148 . 1 1 42 42 ASN H H 1 8.505 0.009 . 1 . . . . . 40 Asn H . 27216 1 149 . 1 1 42 42 ASN N N 15 117.689 0.043 . 1 . . . . . 40 Asn N . 27216 1 150 . 1 1 43 43 GLU CA C 13 56.782 0.000 . 1 . . . . . 41 Glu CA . 27216 1 151 . 1 1 43 43 GLU CB C 13 30.427 0.000 . 1 . . . . . 41 Glu CB . 27216 1 152 . 1 1 43 43 GLU H H 1 8.487 0.008 . 1 . . . . . 41 Glu H . 27216 1 153 . 1 1 43 43 GLU N N 15 121.572 0.143 . 1 . . . . . 41 Glu N . 27216 1 154 . 1 1 44 44 GLU CA C 13 56.694 0.000 . 1 . . . . . 42 Glu CA . 27216 1 155 . 1 1 44 44 GLU CB C 13 30.237 0.000 . 1 . . . . . 42 Glu CB . 27216 1 156 . 1 1 44 44 GLU H H 1 8.518 0.007 . 1 . . . . . 42 Glu H . 27216 1 157 . 1 1 44 44 GLU N N 15 121.856 0.046 . 1 . . . . . 42 Glu N . 27216 1 158 . 1 1 45 45 ASN CA C 13 53.292 0.018 . 1 . . . . . 43 Asn CA . 27216 1 159 . 1 1 45 45 ASN CB C 13 39.163 0.007 . 1 . . . . . 43 Asn CB . 27216 1 160 . 1 1 45 45 ASN H H 1 8.571 0.007 . 1 . . . . . 43 Asn H . 27216 1 161 . 1 1 45 45 ASN N N 15 119.835 0.056 . 1 . . . . . 43 Asn N . 27216 1 162 . 1 1 46 46 GLY CA C 13 45.543 0.000 . 1 . . . . . 44 Gly CA . 27216 1 163 . 1 1 46 46 GLY H H 1 8.471 0.007 . 1 . . . . . 44 Gly H . 27216 1 164 . 1 1 46 46 GLY N N 15 109.561 0.049 . 1 . . . . . 44 Gly N . 27216 1 165 . 1 1 47 47 GLU CA C 13 56.513 0.019 . 1 . . . . . 45 Glu CA . 27216 1 166 . 1 1 47 47 GLU CB C 13 30.476 0.000 . 1 . . . . . 45 Glu CB . 27216 1 167 . 1 1 47 47 GLU H H 1 8.408 0.007 . 1 . . . . . 45 Glu H . 27216 1 168 . 1 1 47 47 GLU N N 15 120.631 0.026 . 1 . . . . . 45 Glu N . 27216 1 169 . 1 1 48 48 GLN CA C 13 55.715 0.000 . 1 . . . . . 46 Gln CA . 27216 1 170 . 1 1 48 48 GLN H H 1 8.552 0.009 . 1 . . . . . 46 Gln H . 27216 1 171 . 1 1 48 48 GLN N N 15 121.594 0.048 . 1 . . . . . 46 Gln N . 27216 1 172 . 1 1 49 49 GLU N N 15 123.154 0.000 . 1 . . . . . 47 Glu N . 27216 1 173 . 1 1 50 50 ALA CA C 13 52.569 0.000 . 1 . . . . . 48 Ala CA . 27216 1 174 . 1 1 50 50 ALA CB C 13 19.580 0.000 . 1 . . . . . 48 Ala CB . 27216 1 175 . 1 1 50 50 ALA H H 1 8.489 0.009 . 1 . . . . . 48 Ala H . 27216 1 176 . 1 1 50 50 ALA N N 15 125.836 0.110 . 1 . . . . . 48 Ala N . 27216 1 177 . 1 1 51 51 ASP CA C 13 54.357 0.000 . 1 . . . . . 49 Asp CA . 27216 1 178 . 1 1 51 51 ASP CB C 13 41.148 0.000 . 1 . . . . . 49 Asp CB . 27216 1 179 . 1 1 51 51 ASP H H 1 8.450 0.007 . 1 . . . . . 49 Asp H . 27216 1 180 . 1 1 51 51 ASP N N 15 120.148 0.053 . 1 . . . . . 49 Asp N . 27216 1 181 . 1 1 52 52 ASN CA C 13 53.252 0.000 . 1 . . . . . 50 Asn CA . 27216 1 182 . 1 1 52 52 ASN CB C 13 39.325 0.052 . 1 . . . . . 50 Asn CB . 27216 1 183 . 1 1 52 52 ASN H H 1 8.423 0.008 . 1 . . . . . 50 Asn H . 27216 1 184 . 1 1 52 52 ASN N N 15 119.335 0.048 . 1 . . . . . 50 Asn N . 27216 1 185 . 1 1 53 53 GLU CA C 13 56.608 0.000 . 1 . . . . . 51 Glu CA . 27216 1 186 . 1 1 53 53 GLU CB C 13 30.351 0.000 . 1 . . . . . 51 Glu CB . 27216 1 187 . 1 1 53 53 GLU H H 1 8.484 0.006 . 1 . . . . . 51 Glu H . 27216 1 188 . 1 1 53 53 GLU N N 15 121.764 0.046 . 1 . . . . . 51 Glu N . 27216 1 189 . 1 1 54 54 VAL CA C 13 62.096 0.000 . 1 . . . . . 52 Val CA . 27216 1 190 . 1 1 54 54 VAL CB C 13 33.280 0.000 . 1 . . . . . 52 Val CB . 27216 1 191 . 1 1 54 54 VAL H H 1 8.258 0.007 . 1 . . . . . 52 Val H . 27216 1 192 . 1 1 54 54 VAL N N 15 121.273 0.069 . 1 . . . . . 52 Val N . 27216 1 193 . 1 1 55 55 ASP CA C 13 54.297 0.000 . 1 . . . . . 53 Asp CA . 27216 1 194 . 1 1 55 55 ASP CB C 13 41.408 0.000 . 1 . . . . . 53 Asp CB . 27216 1 195 . 1 1 55 55 ASP H H 1 8.550 0.009 . 1 . . . . . 53 Asp H . 27216 1 196 . 1 1 55 55 ASP N N 15 125.094 0.076 . 1 . . . . . 53 Asp N . 27216 1 197 . 1 1 56 56 GLU H H 1 8.529 0.009 . 1 . . . . . 54 Glu H . 27216 1 198 . 1 1 56 56 GLU N N 15 122.332 0.072 . 1 . . . . . 54 Glu N . 27216 1 199 . 1 1 57 57 GLU H H 1 8.569 0.006 . 1 . . . . . 55 Glu H . 27216 1 200 . 1 1 57 57 GLU N N 15 122.205 0.107 . 1 . . . . . 55 Glu N . 27216 1 201 . 1 1 59 59 GLU CA C 13 56.344 0.000 . 1 . . . . . 57 Glu CA . 27216 1 202 . 1 1 59 59 GLU CB C 13 30.714 0.000 . 1 . . . . . 57 Glu CB . 27216 1 203 . 1 1 59 59 GLU H H 1 8.609 0.006 . 1 . . . . . 57 Glu H . 27216 1 204 . 1 1 59 59 GLU N N 15 123.178 0.053 . 1 . . . . . 57 Glu N . 27216 1 205 . 1 1 60 60 GLU CA C 13 56.628 0.081 . 1 . . . . . 58 Glu CA . 27216 1 206 . 1 1 60 60 GLU CB C 13 30.666 0.055 . 1 . . . . . 58 Glu CB . 27216 1 207 . 1 1 60 60 GLU H H 1 8.677 0.012 . 1 . . . . . 58 Glu H . 27216 1 208 . 1 1 60 60 GLU N N 15 123.297 0.057 . 1 . . . . . 58 Glu N . 27216 1 209 . 1 1 61 61 GLY CA C 13 45.426 0.015 . 1 . . . . . 59 Gly CA . 27216 1 210 . 1 1 61 61 GLY H H 1 8.655 0.007 . 1 . . . . . 59 Gly H . 27216 1 211 . 1 1 61 61 GLY N N 15 110.726 0.032 . 1 . . . . . 59 Gly N . 27216 1 212 . 1 1 62 62 GLY CA C 13 45.262 0.015 . 1 . . . . . 60 Gly CA . 27216 1 213 . 1 1 62 62 GLY H H 1 8.442 0.008 . 1 . . . . . 60 Gly H . 27216 1 214 . 1 1 62 62 GLY N N 15 109.085 0.046 . 1 . . . . . 60 Gly N . 27216 1 215 . 1 1 63 63 GLU CA C 13 56.617 0.000 . 1 . . . . . 61 Glu CA . 27216 1 216 . 1 1 63 63 GLU CB C 13 30.531 0.000 . 1 . . . . . 61 Glu CB . 27216 1 217 . 1 1 63 63 GLU H H 1 8.556 0.009 . 1 . . . . . 61 Glu H . 27216 1 218 . 1 1 63 63 GLU N N 15 120.573 0.034 . 1 . . . . . 61 Glu N . 27216 1 219 . 1 1 64 64 GLU N N 15 122.195 0.000 . 1 . . . . . 62 Glu N . 27216 1 220 . 1 1 69 69 GLU N N 15 123.370 0.000 . 1 . . . . . 67 Glu N . 27216 1 221 . 1 1 70 70 GLU CA C 13 56.858 0.000 . 1 . . . . . 68 Glu CA . 27216 1 222 . 1 1 70 70 GLU CB C 13 30.668 0.000 . 1 . . . . . 68 Glu CB . 27216 1 223 . 1 1 70 70 GLU H H 1 8.707 0.007 . 1 . . . . . 68 Glu H . 27216 1 224 . 1 1 70 70 GLU N N 15 123.394 0.057 . 1 . . . . . 68 Glu N . 27216 1 225 . 1 1 71 71 GLY CA C 13 45.227 0.051 . 1 . . . . . 69 Gly CA . 27216 1 226 . 1 1 71 71 GLY H H 1 8.581 0.008 . 1 . . . . . 69 Gly H . 27216 1 227 . 1 1 71 71 GLY N N 15 110.587 0.037 . 1 . . . . . 69 Gly N . 27216 1 228 . 1 1 72 72 ASP CA C 13 54.398 0.023 . 1 . . . . . 70 Asp CA . 27216 1 229 . 1 1 72 72 ASP CB C 13 41.463 0.055 . 1 . . . . . 70 Asp CB . 27216 1 230 . 1 1 72 72 ASP H H 1 8.454 0.006 . 1 . . . . . 70 Asp H . 27216 1 231 . 1 1 72 72 ASP N N 15 120.409 0.069 . 1 . . . . . 70 Asp N . 27216 1 232 . 1 1 73 73 GLY CA C 13 45.436 0.021 . 1 . . . . . 71 Gly CA . 27216 1 233 . 1 1 73 73 GLY H H 1 8.567 0.009 . 1 . . . . . 71 Gly H . 27216 1 234 . 1 1 73 73 GLY N N 15 109.579 0.043 . 1 . . . . . 71 Gly N . 27216 1 235 . 1 1 74 74 GLU CA C 13 56.413 0.000 . 1 . . . . . 72 Glu CA . 27216 1 236 . 1 1 74 74 GLU CB C 13 30.565 0.000 . 1 . . . . . 72 Glu CB . 27216 1 237 . 1 1 74 74 GLU H H 1 8.406 0.006 . 1 . . . . . 72 Glu H . 27216 1 238 . 1 1 74 74 GLU N N 15 120.490 0.022 . 1 . . . . . 72 Glu N . 27216 1 239 . 1 1 75 75 GLU H H 1 8.651 0.008 . 1 . . . . . 73 Glu H . 27216 1 240 . 1 1 75 75 GLU N N 15 122.219 0.057 . 1 . . . . . 73 Glu N . 27216 1 241 . 1 1 76 76 GLU H H 1 8.608 0.009 . 1 . . . . . 74 Glu H . 27216 1 242 . 1 1 76 76 GLU N N 15 122.635 0.056 . 1 . . . . . 74 Glu N . 27216 1 243 . 1 1 77 77 ASP CA C 13 54.604 0.026 . 1 . . . . . 75 Asp CA . 27216 1 244 . 1 1 77 77 ASP CB C 13 41.475 0.029 . 1 . . . . . 75 Asp CB . 27216 1 245 . 1 1 77 77 ASP H H 1 8.589 0.006 . 1 . . . . . 75 Asp H . 27216 1 246 . 1 1 77 77 ASP N N 15 122.373 0.064 . 1 . . . . . 75 Asp N . 27216 1 247 . 1 1 78 78 GLY CA C 13 45.377 0.000 . 1 . . . . . 76 Gly CA . 27216 1 248 . 1 1 78 78 GLY H H 1 8.479 0.008 . 1 . . . . . 76 Gly H . 27216 1 249 . 1 1 78 78 GLY N N 15 109.660 0.045 . 1 . . . . . 76 Gly N . 27216 1 250 . 1 1 79 79 ASP CA C 13 54.280 0.013 . 1 . . . . . 77 Asp CA . 27216 1 251 . 1 1 79 79 ASP CB C 13 41.531 0.000 . 1 . . . . . 77 Asp CB . 27216 1 252 . 1 1 79 79 ASP H H 1 8.412 0.007 . 1 . . . . . 77 Asp H . 27216 1 253 . 1 1 79 79 ASP N N 15 120.716 0.048 . 1 . . . . . 77 Asp N . 27216 1 254 . 1 1 80 80 GLU H H 1 8.589 0.009 . 1 . . . . . 78 Glu H . 27216 1 255 . 1 1 80 80 GLU N N 15 121.440 0.060 . 1 . . . . . 78 Glu N . 27216 1 256 . 1 1 83 83 GLU CA C 13 56.707 0.000 . 1 . . . . . 81 Glu CA . 27216 1 257 . 1 1 83 83 GLU CB C 13 30.232 0.000 . 1 . . . . . 81 Glu CB . 27216 1 258 . 1 1 83 83 GLU H H 1 8.548 0.007 . 1 . . . . . 81 Glu H . 27216 1 259 . 1 1 83 83 GLU N N 15 122.016 0.045 . 1 . . . . . 81 Glu N . 27216 1 260 . 1 1 84 84 ALA CA C 13 52.923 0.037 . 1 . . . . . 82 Ala CA . 27216 1 261 . 1 1 84 84 ALA CB C 13 19.427 0.057 . 1 . . . . . 82 Ala CB . 27216 1 262 . 1 1 84 84 ALA H H 1 8.321 0.006 . 1 . . . . . 82 Ala H . 27216 1 263 . 1 1 84 84 ALA N N 15 125.311 0.040 . 1 . . . . . 82 Ala N . 27216 1 264 . 1 1 85 85 GLU CA C 13 56.923 0.000 . 1 . . . . . 83 Glu CA . 27216 1 265 . 1 1 85 85 GLU CB C 13 30.222 0.000 . 1 . . . . . 83 Glu CB . 27216 1 266 . 1 1 85 85 GLU H H 1 8.514 0.007 . 1 . . . . . 83 Glu H . 27216 1 267 . 1 1 85 85 GLU N N 15 120.230 0.050 . 1 . . . . . 83 Glu N . 27216 1 268 . 1 1 86 86 SER CA C 13 58.597 0.037 . 1 . . . . . 84 Ser CA . 27216 1 269 . 1 1 86 86 SER CB C 13 63.853 0.066 . 1 . . . . . 84 Ser CB . 27216 1 270 . 1 1 86 86 SER H H 1 8.374 0.006 . 1 . . . . . 84 Ser H . 27216 1 271 . 1 1 86 86 SER N N 15 116.686 0.056 . 1 . . . . . 84 Ser N . 27216 1 272 . 1 1 87 87 ALA CA C 13 53.144 0.000 . 1 . . . . . 85 Ala CA . 27216 1 273 . 1 1 87 87 ALA CB C 13 19.253 0.000 . 1 . . . . . 85 Ala CB . 27216 1 274 . 1 1 87 87 ALA H H 1 8.498 0.009 . 1 . . . . . 85 Ala H . 27216 1 275 . 1 1 87 87 ALA N N 15 126.321 0.048 . 1 . . . . . 85 Ala N . 27216 1 276 . 1 1 88 88 THR CA C 13 62.379 0.064 . 1 . . . . . 86 Thr CA . 27216 1 277 . 1 1 88 88 THR CB C 13 69.741 0.044 . 1 . . . . . 86 Thr CB . 27216 1 278 . 1 1 88 88 THR H H 1 8.161 0.007 . 1 . . . . . 86 Thr H . 27216 1 279 . 1 1 88 88 THR N N 15 112.124 0.057 . 1 . . . . . 86 Thr N . 27216 1 280 . 1 1 89 89 GLY CA C 13 45.397 0.013 . 1 . . . . . 87 Gly CA . 27216 1 281 . 1 1 89 89 GLY H H 1 8.373 0.008 . 1 . . . . . 87 Gly H . 27216 1 282 . 1 1 89 89 GLY N N 15 111.240 0.044 . 1 . . . . . 87 Gly N . 27216 1 283 . 1 1 90 90 LYS CA C 13 56.395 0.000 . 1 . . . . . 88 Lys CA . 27216 1 284 . 1 1 90 90 LYS CB C 13 33.226 0.038 . 1 . . . . . 88 Lys CB . 27216 1 285 . 1 1 90 90 LYS H H 1 8.188 0.008 . 1 . . . . . 88 Lys H . 27216 1 286 . 1 1 90 90 LYS N N 15 121.263 0.046 . 1 . . . . . 88 Lys N . 27216 1 287 . 1 1 91 91 ARG CA C 13 56.031 0.000 . 1 . . . . . 89 Arg CA . 27216 1 288 . 1 1 91 91 ARG CB C 13 30.999 0.000 . 1 . . . . . 89 Arg CB . 27216 1 289 . 1 1 91 91 ARG H H 1 8.521 0.008 . 1 . . . . . 89 Arg H . 27216 1 290 . 1 1 91 91 ARG N N 15 123.442 0.083 . 1 . . . . . 89 Arg N . 27216 1 291 . 1 1 92 92 ALA CA C 13 52.523 0.036 . 1 . . . . . 90 Ala CA . 27216 1 292 . 1 1 92 92 ALA CB C 13 19.259 0.053 . 1 . . . . . 90 Ala CB . 27216 1 293 . 1 1 92 92 ALA H H 1 8.551 0.007 . 1 . . . . . 90 Ala H . 27216 1 294 . 1 1 92 92 ALA N N 15 126.382 0.050 . 1 . . . . . 90 Ala N . 27216 1 295 . 1 1 93 93 ALA CA C 13 52.796 0.019 . 1 . . . . . 91 Ala CA . 27216 1 296 . 1 1 93 93 ALA CB C 13 19.328 0.000 . 1 . . . . . 91 Ala CB . 27216 1 297 . 1 1 93 93 ALA H H 1 8.444 0.008 . 1 . . . . . 91 Ala H . 27216 1 298 . 1 1 93 93 ALA N N 15 123.719 0.044 . 1 . . . . . 91 Ala N . 27216 1 299 . 1 1 94 94 GLU CA C 13 56.831 0.003 . 1 . . . . . 92 Glu CA . 27216 1 300 . 1 1 94 94 GLU CB C 13 30.148 0.050 . 1 . . . . . 92 Glu CB . 27216 1 301 . 1 1 94 94 GLU H H 1 8.519 0.008 . 1 . . . . . 92 Glu H . 27216 1 302 . 1 1 94 94 GLU N N 15 119.443 0.048 . 1 . . . . . 92 Glu N . 27216 1 303 . 1 1 95 95 ASP CA C 13 54.557 0.006 . 1 . . . . . 93 Asp CA . 27216 1 304 . 1 1 95 95 ASP CB C 13 41.279 0.000 . 1 . . . . . 93 Asp CB . 27216 1 305 . 1 1 95 95 ASP H H 1 8.308 0.008 . 1 . . . . . 93 Asp H . 27216 1 306 . 1 1 95 95 ASP N N 15 120.596 0.056 . 1 . . . . . 93 Asp N . 27216 1 307 . 1 1 96 96 ASP CB C 13 41.387 0.000 . 1 . . . . . 94 Asp CB . 27216 1 308 . 1 1 96 96 ASP H H 1 8.280 0.007 . 1 . . . . . 94 Asp H . 27216 1 309 . 1 1 96 96 ASP N N 15 120.732 0.052 . 1 . . . . . 94 Asp N . 27216 1 310 . 1 1 97 97 GLU CB C 13 33.230 0.000 . 1 . . . . . 95 Glu CB . 27216 1 311 . 1 1 97 97 GLU H H 1 8.401 0.008 . 1 . . . . . 95 Glu H . 27216 1 312 . 1 1 97 97 GLU N N 15 121.231 0.033 . 1 . . . . . 95 Glu N . 27216 1 313 . 1 1 98 98 ASP CA C 13 54.501 0.000 . 1 . . . . . 96 Asp CA . 27216 1 314 . 1 1 98 98 ASP CB C 13 41.420 0.007 . 1 . . . . . 96 Asp CB . 27216 1 315 . 1 1 98 98 ASP N N 15 121.783 0.004 . 1 . . . . . 96 Asp N . 27216 1 316 . 1 1 99 99 ASP CA C 13 54.487 0.071 . 1 . . . . . 97 Asp CA . 27216 1 317 . 1 1 99 99 ASP CB C 13 41.423 0.000 . 1 . . . . . 97 Asp CB . 27216 1 318 . 1 1 99 99 ASP H H 1 8.389 0.010 . 1 . . . . . 97 Asp H . 27216 1 319 . 1 1 99 99 ASP N N 15 121.384 0.070 . 1 . . . . . 97 Asp N . 27216 1 320 . 1 1 100 100 ASP CA C 13 54.245 0.000 . 1 . . . . . 98 Asp CA . 27216 1 321 . 1 1 100 100 ASP CB C 13 41.200 0.000 . 1 . . . . . 98 Asp CB . 27216 1 322 . 1 1 100 100 ASP H H 1 8.420 0.008 . 1 . . . . . 98 Asp H . 27216 1 323 . 1 1 100 100 ASP N N 15 120.972 0.042 . 1 . . . . . 98 Asp N . 27216 1 324 . 1 1 101 101 VAL CA C 13 63.015 0.026 . 1 . . . . . 99 Val CA . 27216 1 325 . 1 1 101 101 VAL CB C 13 32.586 0.000 . 1 . . . . . 99 Val CB . 27216 1 326 . 1 1 101 101 VAL H H 1 8.077 0.008 . 1 . . . . . 99 Val H . 27216 1 327 . 1 1 101 101 VAL N N 15 120.143 0.040 . 1 . . . . . 99 Val N . 27216 1 328 . 1 1 102 102 ASP CA C 13 54.913 0.005 . 1 . . . . . 100 Asp CA . 27216 1 329 . 1 1 102 102 ASP CB C 13 41.159 0.029 . 1 . . . . . 100 Asp CB . 27216 1 330 . 1 1 102 102 ASP H H 1 8.510 0.009 . 1 . . . . . 100 Asp H . 27216 1 331 . 1 1 102 102 ASP N N 15 122.947 0.095 . 1 . . . . . 100 Asp N . 27216 1 332 . 1 1 103 103 THR CA C 13 62.708 0.005 . 1 . . . . . 101 Thr CA . 27216 1 333 . 1 1 103 103 THR CB C 13 69.429 0.034 . 1 . . . . . 101 Thr CB . 27216 1 334 . 1 1 103 103 THR H H 1 8.111 0.009 . 1 . . . . . 101 Thr H . 27216 1 335 . 1 1 103 103 THR N N 15 115.103 0.053 . 1 . . . . . 101 Thr N . 27216 1 336 . 1 1 104 104 LYS CA C 13 56.797 0.017 . 1 . . . . . 102 Lys CA . 27216 1 337 . 1 1 104 104 LYS CB C 13 32.594 0.040 . 1 . . . . . 102 Lys CB . 27216 1 338 . 1 1 104 104 LYS H H 1 8.289 0.009 . 1 . . . . . 102 Lys H . 27216 1 339 . 1 1 104 104 LYS N N 15 123.259 0.046 . 1 . . . . . 102 Lys N . 27216 1 340 . 1 1 105 105 LYS CA C 13 56.624 0.000 . 1 . . . . . 103 Lys CA . 27216 1 341 . 1 1 105 105 LYS CB C 13 32.924 0.024 . 1 . . . . . 103 Lys CB . 27216 1 342 . 1 1 105 105 LYS H H 1 8.217 0.008 . 1 . . . . . 103 Lys H . 27216 1 343 . 1 1 105 105 LYS N N 15 122.280 0.053 . 1 . . . . . 103 Lys N . 27216 1 344 . 1 1 106 106 GLN CA C 13 55.913 0.067 . 1 . . . . . 104 Gln CA . 27216 1 345 . 1 1 106 106 GLN CB C 13 29.546 0.048 . 1 . . . . . 104 Gln CB . 27216 1 346 . 1 1 106 106 GLN H H 1 8.451 0.008 . 1 . . . . . 104 Gln H . 27216 1 347 . 1 1 106 106 GLN N N 15 122.054 0.040 . 1 . . . . . 104 Gln N . 27216 1 348 . 1 1 107 107 LYS CA C 13 56.552 0.000 . 1 . . . . . 105 Lys CA . 27216 1 349 . 1 1 107 107 LYS CB C 13 33.198 0.000 . 1 . . . . . 105 Lys CB . 27216 1 350 . 1 1 107 107 LYS H H 1 8.530 0.009 . 1 . . . . . 105 Lys H . 27216 1 351 . 1 1 107 107 LYS N N 15 123.748 0.072 . 1 . . . . . 105 Lys N . 27216 1 352 . 1 1 108 108 THR CA C 13 61.615 0.034 . 1 . . . . . 106 Thr CA . 27216 1 353 . 1 1 108 108 THR CB C 13 70.162 0.024 . 1 . . . . . 106 Thr CB . 27216 1 354 . 1 1 108 108 THR H H 1 8.499 0.009 . 1 . . . . . 106 Thr H . 27216 1 355 . 1 1 108 108 THR N N 15 115.764 0.045 . 1 . . . . . 106 Thr N . 27216 1 356 . 1 1 109 109 ASP CA C 13 54.749 0.000 . 1 . . . . . 107 Asp CA . 27216 1 357 . 1 1 109 109 ASP CB C 13 41.184 0.000 . 1 . . . . . 107 Asp CB . 27216 1 358 . 1 1 109 109 ASP H H 1 8.493 0.009 . 1 . . . . . 107 Asp H . 27216 1 359 . 1 1 109 109 ASP N N 15 122.146 0.048 . 1 . . . . . 107 Asp N . 27216 1 360 . 1 1 110 110 GLU CA C 13 56.718 0.014 . 1 . . . . . 108 Glu CA . 27216 1 361 . 1 1 110 110 GLU CB C 13 30.533 0.004 . 1 . . . . . 108 Glu CB . 27216 1 362 . 1 1 110 110 GLU H H 1 8.347 0.008 . 1 . . . . . 108 Glu H . 27216 1 363 . 1 1 110 110 GLU N N 15 120.207 0.053 . 1 . . . . . 108 Glu N . 27216 1 364 . 1 1 111 111 ASP CA C 13 54.585 0.008 . 1 . . . . . 109 Asp CA . 27216 1 365 . 1 1 111 111 ASP CB C 13 41.494 0.008 . 1 . . . . . 109 Asp CB . 27216 1 366 . 1 1 111 111 ASP H H 1 8.333 0.009 . 1 . . . . . 109 Asp H . 27216 1 367 . 1 1 111 111 ASP N N 15 121.468 0.048 . 1 . . . . . 109 Asp N . 27216 1 368 . 1 1 112 112 ASP CA C 13 56.168 0.000 . 1 . . . . . 110 Asp CA . 27216 1 369 . 1 1 112 112 ASP CB C 13 42.131 0.000 . 1 . . . . . 110 Asp CB . 27216 1 370 . 1 1 112 112 ASP H H 1 7.991 0.007 . 1 . . . . . 110 Asp H . 27216 1 371 . 1 1 112 112 ASP N N 15 126.035 0.040 . 1 . . . . . 110 Asp N . 27216 1 stop_ save_