data_6098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6098 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the amino terminal domain of the transcriptional cofactor PC4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-13 _Entry.Accession_date 2004-02-13 _Entry.Last_release_date 2004-06-25 _Entry.Original_release_date 2004-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Henry Jonker . . . 6098 2 Gert Folkers . . . 6098 3 Rainer Wechselberger . . . 6098 4 Rolf Boelens . . . 6098 5 Rob Kaptein . . . 6098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 6098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 492 6098 '1H chemical shifts' 217 6098 '15N chemical shifts' 159 6098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-25 2004-02-13 original author . 6098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural and functional studies on transcriptional activation - Interactions of the cofactor PC4 and activator VP16 ; _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 'Utrecht University' _Citation.Thesis_institution_city Utrecht _Citation.Thesis_institution_country 'The Netherlands' _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2003 _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 Henry Jonker . . . 6098 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PC4 cofactor VP16 activator transcription' 6098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PC4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PC4 _Assembly.Entry_ID 6098 _Assembly.ID 1 _Assembly.Name PC4ntd _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Dimeric and higher order for full length PC4.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6098 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PC4ntd, 1' 1 $PC4 . . . native . . 1 . . 6098 1 2 'PC4ctd, 2' 1 $PC4 . . . native . . 1 . . 6098 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PC4ntd system 6098 1 PC4 abbreviation 6098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PC4 _Entity.Sf_category entity _Entity.Sf_framecode PC4 _Entity.Entry_ID 6098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'positive cofactor 4' _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 ; PKSKELVSSSSSGSDSDSEV DKKLKRKKQVAPEKPVKKQK TGETSRALSSSKQSSSSRDD NMFQIGKMRYVSVRDFKGKV LIDIREYWMDPEGEMKPGRK GISLNPEQWSQLKEQISDID DAVRKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 14264 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The amino terminal domain is flexible and unstructured and the carboxy terminal domain is well structured. The amino terminal domain contains a lysine rich region in between two serine rich regions. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PCF . "Human Transcriptional Coactivator Pc4 C-Terminal Domain" . . . . . 51.59 66 100.00 100.00 3.29e-39 . . . . 6098 1 2 no PDB 2C62 . "Crystal Structure Of The Human Transcription Cofactor Pc4 In Complex With Single-Stranded Dna" . . . . . 51.59 66 100.00 100.00 3.29e-39 . . . . 6098 1 3 no PDB 2PHE . "Model For Vp16 Binding To Pc4" . . . . . 51.59 66 100.00 100.00 3.29e-39 . . . . 6098 1 4 no DBJ BAD92522 . "activated RNA polymerase II transcription cofactor 4 variant [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 2.38e-81 . . . . 6098 1 5 no DBJ BAE00374 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 6 no DBJ BAE87869 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 7 no DBJ BAE91489 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 8 no DBJ BAG10763 . "activated RNA polymerase II transcriptional coactivator p15 [synthetic construct]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 9 no EMBL CAA56200 . "PC4, p15 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 10 no EMBL CAG33183 . "PC4 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 11 no EMBL CAH92686 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 12 no GB AAA20980 . "PC4 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 13 no GB AAH09610 . "SUB1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.41e-80 . . . . 6098 1 14 no GB AAH10537 . "SUB1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 15 no GB AAH18189 . "SUB1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 16 no GB AAH22339 . "SUB1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 17 no REF NP_001098877 . "activated RNA polymerase II transcriptional coactivator p15 [Bos taurus]" . . . . . 100.00 127 99.21 99.21 2.10e-80 . . . . 6098 1 18 no REF NP_001126574 . "activated RNA polymerase II transcriptional coactivator p15 [Pongo abelii]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 19 no REF NP_001248140 . "activated RNA polymerase II transcriptional coactivator p15 [Macaca mulatta]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 20 no REF NP_001272042 . "activated RNA polymerase II transcriptional coactivator p15 [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 21 no REF NP_006704 . "activated RNA polymerase II transcriptional coactivator p15 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 22 no SP P53999 . "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=Positive cofactor 4; Short=PC4; AltNam" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 23 no SP Q4R947 . "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=SUB1 homolog [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 24 no SP Q5R6D0 . "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=SUB1 homolog [Pongo abelii]" . . . . . 100.00 127 100.00 100.00 2.84e-81 . . . . 6098 1 25 no TPG DAA17835 . "TPA: activated RNA polymerase II transcription cofactor 4 [Bos taurus]" . . . . . 100.00 127 99.21 99.21 2.10e-80 . . . . 6098 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'positive cofactor 4' common 6098 1 PC4 abbreviation 6098 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 . PRO . 6098 1 2 . LYS . 6098 1 3 . SER . 6098 1 4 . LYS . 6098 1 5 . GLU . 6098 1 6 . LEU . 6098 1 7 . VAL . 6098 1 8 . SER . 6098 1 9 . SER . 6098 1 10 . SER . 6098 1 11 . SER . 6098 1 12 . SER . 6098 1 13 . GLY . 6098 1 14 . SER . 6098 1 15 . ASP . 6098 1 16 . SER . 6098 1 17 . ASP . 6098 1 18 . SER . 6098 1 19 . GLU . 6098 1 20 . VAL . 6098 1 21 . ASP . 6098 1 22 . LYS . 6098 1 23 . LYS . 6098 1 24 . LEU . 6098 1 25 . LYS . 6098 1 26 . ARG . 6098 1 27 . LYS . 6098 1 28 . LYS . 6098 1 29 . GLN . 6098 1 30 . VAL . 6098 1 31 . ALA . 6098 1 32 . PRO . 6098 1 33 . GLU . 6098 1 34 . LYS . 6098 1 35 . PRO . 6098 1 36 . VAL . 6098 1 37 . LYS . 6098 1 38 . LYS . 6098 1 39 . GLN . 6098 1 40 . LYS . 6098 1 41 . THR . 6098 1 42 . GLY . 6098 1 43 . GLU . 6098 1 44 . THR . 6098 1 45 . SER . 6098 1 46 . ARG . 6098 1 47 . ALA . 6098 1 48 . LEU . 6098 1 49 . SER . 6098 1 50 . SER . 6098 1 51 . SER . 6098 1 52 . LYS . 6098 1 53 . GLN . 6098 1 54 . SER . 6098 1 55 . SER . 6098 1 56 . SER . 6098 1 57 . SER . 6098 1 58 . ARG . 6098 1 59 . ASP . 6098 1 60 . ASP . 6098 1 61 . ASN . 6098 1 62 . MET . 6098 1 63 . PHE . 6098 1 64 . GLN . 6098 1 65 . ILE . 6098 1 66 . GLY . 6098 1 67 . LYS . 6098 1 68 . MET . 6098 1 69 . ARG . 6098 1 70 . TYR . 6098 1 71 . VAL . 6098 1 72 . SER . 6098 1 73 . VAL . 6098 1 74 . ARG . 6098 1 75 . ASP . 6098 1 76 . PHE . 6098 1 77 . LYS . 6098 1 78 . GLY . 6098 1 79 . LYS . 6098 1 80 . VAL . 6098 1 81 . LEU . 6098 1 82 . ILE . 6098 1 83 . ASP . 6098 1 84 . ILE . 6098 1 85 . ARG . 6098 1 86 . GLU . 6098 1 87 . TYR . 6098 1 88 . TRP . 6098 1 89 . MET . 6098 1 90 . ASP . 6098 1 91 . PRO . 6098 1 92 . GLU . 6098 1 93 . GLY . 6098 1 94 . GLU . 6098 1 95 . MET . 6098 1 96 . LYS . 6098 1 97 . PRO . 6098 1 98 . GLY . 6098 1 99 . ARG . 6098 1 100 . LYS . 6098 1 101 . GLY . 6098 1 102 . ILE . 6098 1 103 . SER . 6098 1 104 . LEU . 6098 1 105 . ASN . 6098 1 106 . PRO . 6098 1 107 . GLU . 6098 1 108 . GLN . 6098 1 109 . TRP . 6098 1 110 . SER . 6098 1 111 . GLN . 6098 1 112 . LEU . 6098 1 113 . LYS . 6098 1 114 . GLU . 6098 1 115 . GLN . 6098 1 116 . ILE . 6098 1 117 . SER . 6098 1 118 . ASP . 6098 1 119 . ILE . 6098 1 120 . ASP . 6098 1 121 . ASP . 6098 1 122 . ALA . 6098 1 123 . VAL . 6098 1 124 . ARG . 6098 1 125 . LYS . 6098 1 126 . LEU . 6098 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 . PRO 1 1 6098 1 . LYS 2 2 6098 1 . SER 3 3 6098 1 . LYS 4 4 6098 1 . GLU 5 5 6098 1 . LEU 6 6 6098 1 . VAL 7 7 6098 1 . SER 8 8 6098 1 . SER 9 9 6098 1 . SER 10 10 6098 1 . SER 11 11 6098 1 . SER 12 12 6098 1 . GLY 13 13 6098 1 . SER 14 14 6098 1 . ASP 15 15 6098 1 . SER 16 16 6098 1 . ASP 17 17 6098 1 . SER 18 18 6098 1 . GLU 19 19 6098 1 . VAL 20 20 6098 1 . ASP 21 21 6098 1 . LYS 22 22 6098 1 . LYS 23 23 6098 1 . LEU 24 24 6098 1 . LYS 25 25 6098 1 . ARG 26 26 6098 1 . LYS 27 27 6098 1 . LYS 28 28 6098 1 . GLN 29 29 6098 1 . VAL 30 30 6098 1 . ALA 31 31 6098 1 . PRO 32 32 6098 1 . GLU 33 33 6098 1 . LYS 34 34 6098 1 . PRO 35 35 6098 1 . VAL 36 36 6098 1 . LYS 37 37 6098 1 . LYS 38 38 6098 1 . GLN 39 39 6098 1 . LYS 40 40 6098 1 . THR 41 41 6098 1 . GLY 42 42 6098 1 . GLU 43 43 6098 1 . THR 44 44 6098 1 . SER 45 45 6098 1 . ARG 46 46 6098 1 . ALA 47 47 6098 1 . LEU 48 48 6098 1 . SER 49 49 6098 1 . SER 50 50 6098 1 . SER 51 51 6098 1 . LYS 52 52 6098 1 . GLN 53 53 6098 1 . SER 54 54 6098 1 . SER 55 55 6098 1 . SER 56 56 6098 1 . SER 57 57 6098 1 . ARG 58 58 6098 1 . ASP 59 59 6098 1 . ASP 60 60 6098 1 . ASN 61 61 6098 1 . MET 62 62 6098 1 . PHE 63 63 6098 1 . GLN 64 64 6098 1 . ILE 65 65 6098 1 . GLY 66 66 6098 1 . LYS 67 67 6098 1 . MET 68 68 6098 1 . ARG 69 69 6098 1 . TYR 70 70 6098 1 . VAL 71 71 6098 1 . SER 72 72 6098 1 . VAL 73 73 6098 1 . ARG 74 74 6098 1 . ASP 75 75 6098 1 . PHE 76 76 6098 1 . LYS 77 77 6098 1 . GLY 78 78 6098 1 . LYS 79 79 6098 1 . VAL 80 80 6098 1 . LEU 81 81 6098 1 . ILE 82 82 6098 1 . ASP 83 83 6098 1 . ILE 84 84 6098 1 . ARG 85 85 6098 1 . GLU 86 86 6098 1 . TYR 87 87 6098 1 . TRP 88 88 6098 1 . MET 89 89 6098 1 . ASP 90 90 6098 1 . PRO 91 91 6098 1 . GLU 92 92 6098 1 . GLY 93 93 6098 1 . GLU 94 94 6098 1 . MET 95 95 6098 1 . LYS 96 96 6098 1 . PRO 97 97 6098 1 . GLY 98 98 6098 1 . ARG 99 99 6098 1 . LYS 100 100 6098 1 . GLY 101 101 6098 1 . ILE 102 102 6098 1 . SER 103 103 6098 1 . LEU 104 104 6098 1 . ASN 105 105 6098 1 . PRO 106 106 6098 1 . GLU 107 107 6098 1 . GLN 108 108 6098 1 . TRP 109 109 6098 1 . SER 110 110 6098 1 . GLN 111 111 6098 1 . LEU 112 112 6098 1 . LYS 113 113 6098 1 . GLU 114 114 6098 1 . GLN 115 115 6098 1 . ILE 116 116 6098 1 . SER 117 117 6098 1 . ASP 118 118 6098 1 . ILE 119 119 6098 1 . ASP 120 120 6098 1 . ASP 121 121 6098 1 . ALA 122 122 6098 1 . VAL 123 123 6098 1 . ARG 124 124 6098 1 . LYS 125 125 6098 1 . LEU 126 126 6098 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 6098 _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 $PC4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6098 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 6098 _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 $PC4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_PC4_298K_LS _Sample.Sf_category sample _Sample.Sf_framecode sample_PC4_298K_LS _Sample.Entry_ID 6098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'positive cofactor 4' '[U-13C; U-15N]' . . 1 $PC4 . . . 0.5 1 mM . . . . 6098 1 2 KCl . . . . . . . 50 . . mM . . . . 6098 1 3 KHxPO4 . . . . . . . 50 . . mM . . . . 6098 1 4 D5-Glycin . . . . . . . 2 . . M . . . . 6098 1 5 'Protease Inhibitor cocktail' . . . . . . . . . . mM . . . . 6098 1 stop_ save_ save_sample_PC4_305K_HS _Sample.Sf_category sample _Sample.Sf_framecode sample_PC4_305K_HS _Sample.Entry_ID 6098 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'positive cofactor 4' '[U-13C; U-15N]' . . 1 $PC4 . . . 0.5 1 mM . . . . 6098 2 2 KCl . . . . . . . 400 . . mM . . . . 6098 2 3 KHxPO4 . . . . . . . 50 . . mM . . . . 6098 2 4 D5-Glycin . . . . . . . 2 . . M . . . . 6098 2 5 'Protease Inhibitor cocktail' . . . . . . . . . . mM . . . . 6098 2 stop_ save_ save_sample_PC4_P _Sample.Sf_category sample _Sample.Sf_framecode sample_PC4_P _Sample.Entry_ID 6098 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'positive cofactor 4' '[U-13C; U-15N]' . . 1 $PC4 . . . 0.5 1 mM . . . . 6098 3 2 KCl . . . . . . . 400 . . mM . . . . 6098 3 3 KHxPO4 . . . . . . . 50 . . mM . . . . 6098 3 4 D5-Glycin . . . . . . . 2 . . M . . . . 6098 3 5 'Protease Inhibitor cocktail' . . . . . . . . . . mM . . . . 6098 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_PC4_298K_LS _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_PC4_298K_LS _Sample_condition_list.Entry_ID 6098 _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 5.6 0.1 n/a 6098 1 temperature 298 1 K 6098 1 stop_ save_ save_condition_PC4_305K_HS _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_PC4_305K_HS _Sample_condition_list.Entry_ID 6098 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 0.1 n/a 6098 2 temperature 305 1 K 6098 2 stop_ save_ save_condition_PC4_P _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_PC4_P _Sample_condition_list.Entry_ID 6098 _Sample_condition_list.ID 3 _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 5.6 0.1 n/a 6098 3 temperature 305 1 K 6098 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6098 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6098 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6098 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analyses 6098 2 assignment 6098 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 6098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6098 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6098 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6098 _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 . 500 . . . 6098 1 2 spectrometer_2 Bruker Avance . 600 . . . 6098 1 3 spectrometer_3 Bruker Avance . 750 . . . 6098 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 6098 _Experiment_list.ID 1 _Experiment_list.Details ; Spectrometer was locked on deuterated glycine. Triple resonance probes. ; 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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 2 '3D NOESY (1H,15N) HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 3 '3D TOCSY (1H,15N) HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 6 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6098 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6098 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.7 internal direct 1.0 internal . . . . temperature . . . 6098 1 N 15 H2O protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . temperature . . . 6098 1 C 13 H2O protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . temperature . . . 6098 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_chemical_shift_PC4_298K_LS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_PC4_298K_LS _Assigned_chem_shift_list.Entry_ID 6098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_PC4_298K_LS _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; _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 $sample_PC4_298K_LS . 6098 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 LYS CA C 13 56.8 . . 1 . . . . . . . . 6098 1 2 . 1 1 2 2 LYS HA H 1 4.26 . . 1 . . . . . . . . 6098 1 3 . 1 1 2 2 LYS C C 13 176.5 . . 1 . . . . . . . . 6098 1 4 . 1 1 2 2 LYS CB C 13 33.2 . . 1 . . . . . . . . 6098 1 5 . 1 1 3 3 SER H H 1 8.46 . . 1 . . . . . . . . 6098 1 6 . 1 1 3 3 SER N N 15 117.9 . . 1 . . . . . . . . 6098 1 7 . 1 1 3 3 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 1 8 . 1 1 3 3 SER HA H 1 4.34 . . 1 . . . . . . . . 6098 1 9 . 1 1 3 3 SER C C 13 174.6 . . 1 . . . . . . . . 6098 1 10 . 1 1 3 3 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 11 . 1 1 4 4 LYS H H 1 8.43 . . 1 . . . . . . . . 6098 1 12 . 1 1 4 4 LYS N N 15 123.4 . . 1 . . . . . . . . 6098 1 13 . 1 1 4 4 LYS CA C 13 56.6 . . 1 . . . . . . . . 6098 1 14 . 1 1 4 4 LYS HA H 1 4.21 . . 1 . . . . . . . . 6098 1 15 . 1 1 4 4 LYS C C 13 176.5 . . 1 . . . . . . . . 6098 1 16 . 1 1 4 4 LYS CB C 13 33 . . 1 . . . . . . . . 6098 1 17 . 1 1 5 5 GLU H H 1 8.34 . . 1 . . . . . . . . 6098 1 18 . 1 1 5 5 GLU N N 15 121.7 . . 1 . . . . . . . . 6098 1 19 . 1 1 5 5 GLU CA C 13 56.5 . . 1 . . . . . . . . 6098 1 20 . 1 1 5 5 GLU HA H 1 4.18 . . 1 . . . . . . . . 6098 1 21 . 1 1 5 5 GLU C C 13 176.2 . . 1 . . . . . . . . 6098 1 22 . 1 1 5 5 GLU CB C 13 30.2 . . 1 . . . . . . . . 6098 1 23 . 1 1 6 6 LEU H H 1 8.21 . . 1 . . . . . . . . 6098 1 24 . 1 1 6 6 LEU N N 15 123.4 . . 1 . . . . . . . . 6098 1 25 . 1 1 6 6 LEU CA C 13 55.2 . . 1 . . . . . . . . 6098 1 26 . 1 1 6 6 LEU HA H 1 4.29 . . 1 . . . . . . . . 6098 1 27 . 1 1 6 6 LEU C C 13 177.2 . . 1 . . . . . . . . 6098 1 28 . 1 1 6 6 LEU CB C 13 42.4 . . 1 . . . . . . . . 6098 1 29 . 1 1 7 7 VAL H H 1 8.08 . . 1 . . . . . . . . 6098 1 30 . 1 1 7 7 VAL N N 15 121.2 . . 1 . . . . . . . . 6098 1 31 . 1 1 7 7 VAL CA C 13 62.4 . . 1 . . . . . . . . 6098 1 32 . 1 1 7 7 VAL HA H 1 4.07 . . 1 . . . . . . . . 6098 1 33 . 1 1 7 7 VAL C C 13 176.1 . . 1 . . . . . . . . 6098 1 34 . 1 1 7 7 VAL CB C 13 33 . . 1 . . . . . . . . 6098 1 35 . 1 1 8 8 SER H H 1 8.4 . . 1 . . . . . . . . 6098 1 36 . 1 1 8 8 SER N N 15 119.7 . . 1 . . . . . . . . 6098 1 37 . 1 1 8 8 SER CA C 13 58.3 . . 1 . . . . . . . . 6098 1 38 . 1 1 8 8 SER HA H 1 4.43 . . 1 . . . . . . . . 6098 1 39 . 1 1 8 8 SER C C 13 174.7 . . 1 . . . . . . . . 6098 1 40 . 1 1 8 8 SER CB C 13 64 . . 1 . . . . . . . . 6098 1 41 . 1 1 9 9 SER H H 1 8.41 . . 5 . . . . . . . . 6098 1 42 . 1 1 9 9 SER N N 15 118.4 . . 5 . . . . . . . . 6098 1 43 . 1 1 9 9 SER CA C 13 58.5 . . 5 . . . . . . . . 6098 1 44 . 1 1 9 9 SER HA H 1 4.44 . . 5 . . . . . . . . 6098 1 45 . 1 1 9 9 SER C C 13 174.7 . . 5 . . . . . . . . 6098 1 46 . 1 1 9 9 SER CB C 13 64 . . 5 . . . . . . . . 6098 1 47 . 1 1 10 10 SER H H 1 8.37 . . 5 . . . . . . . . 6098 1 48 . 1 1 10 10 SER N N 15 117.7 . . 5 . . . . . . . . 6098 1 49 . 1 1 10 10 SER CA C 13 58.6 . . 5 . . . . . . . . 6098 1 50 . 1 1 10 10 SER HA H 1 4.46 . . 5 . . . . . . . . 6098 1 51 . 1 1 10 10 SER C C 13 174.7 . . 5 . . . . . . . . 6098 1 52 . 1 1 10 10 SER CB C 13 64 . . 5 . . . . . . . . 6098 1 53 . 1 1 11 11 SER H H 1 8.35 . . 5 . . . . . . . . 6098 1 54 . 1 1 11 11 SER N N 15 118 . . 5 . . . . . . . . 6098 1 55 . 1 1 11 11 SER CA C 13 58.6 . . 5 . . . . . . . . 6098 1 56 . 1 1 11 11 SER HA H 1 4.45 . . 5 . . . . . . . . 6098 1 57 . 1 1 11 11 SER C C 13 174.7 . . 5 . . . . . . . . 6098 1 58 . 1 1 11 11 SER CB C 13 64 . . 5 . . . . . . . . 6098 1 59 . 1 1 12 12 SER H H 1 8.37 . . 1 . . . . . . . . 6098 1 60 . 1 1 12 12 SER N N 15 118 . . 1 . . . . . . . . 6098 1 61 . 1 1 12 12 SER CA C 13 58.7 . . 1 . . . . . . . . 6098 1 62 . 1 1 12 12 SER HA H 1 4.44 . . 1 . . . . . . . . 6098 1 63 . 1 1 12 12 SER C C 13 175 . . 1 . . . . . . . . 6098 1 64 . 1 1 12 12 SER CB C 13 64 . . 1 . . . . . . . . 6098 1 65 . 1 1 13 13 GLY H H 1 8.4 . . 1 . . . . . . . . 6098 1 66 . 1 1 13 13 GLY N N 15 111.1 . . 1 . . . . . . . . 6098 1 67 . 1 1 13 13 GLY CA C 13 45.6 . . 1 . . . . . . . . 6098 1 68 . 1 1 13 13 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 6098 1 69 . 1 1 13 13 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 6098 1 70 . 1 1 13 13 GLY C C 13 174.3 . . 1 . . . . . . . . 6098 1 71 . 1 1 14 14 SER H H 1 8.25 . . 1 . . . . . . . . 6098 1 72 . 1 1 14 14 SER N N 15 115.8 . . 1 . . . . . . . . 6098 1 73 . 1 1 14 14 SER CA C 13 58.4 . . 1 . . . . . . . . 6098 1 74 . 1 1 14 14 SER HA H 1 4.41 . . 1 . . . . . . . . 6098 1 75 . 1 1 14 14 SER C C 13 174.5 . . 1 . . . . . . . . 6098 1 76 . 1 1 14 14 SER CB C 13 64.1 . . 1 . . . . . . . . 6098 1 77 . 1 1 15 15 ASP H H 1 8.45 . . 1 . . . . . . . . 6098 1 78 . 1 1 15 15 ASP N N 15 122.6 . . 1 . . . . . . . . 6098 1 79 . 1 1 15 15 ASP CA C 13 54.6 . . 1 . . . . . . . . 6098 1 80 . 1 1 15 15 ASP HA H 1 4.58 . . 1 . . . . . . . . 6098 1 81 . 1 1 15 15 ASP C C 13 176.4 . . 1 . . . . . . . . 6098 1 82 . 1 1 15 15 ASP CB C 13 41.2 . . 1 . . . . . . . . 6098 1 83 . 1 1 16 16 SER H H 1 8.23 . . 1 . . . . . . . . 6098 1 84 . 1 1 16 16 SER N N 15 115.9 . . 1 . . . . . . . . 6098 1 85 . 1 1 16 16 SER CA C 13 58.9 . . 1 . . . . . . . . 6098 1 86 . 1 1 16 16 SER HA H 1 4.34 . . 1 . . . . . . . . 6098 1 87 . 1 1 16 16 SER C C 13 174.6 . . 1 . . . . . . . . 6098 1 88 . 1 1 16 16 SER CB C 13 64 . . 1 . . . . . . . . 6098 1 89 . 1 1 17 17 ASP H H 1 8.34 . . 1 . . . . . . . . 6098 1 90 . 1 1 17 17 ASP N N 15 122.5 . . 1 . . . . . . . . 6098 1 91 . 1 1 17 17 ASP CA C 13 54.8 . . 1 . . . . . . . . 6098 1 92 . 1 1 17 17 ASP HA H 1 4.57 . . 1 . . . . . . . . 6098 1 93 . 1 1 17 17 ASP C C 13 176.5 . . 1 . . . . . . . . 6098 1 94 . 1 1 17 17 ASP CB C 13 41.2 . . 1 . . . . . . . . 6098 1 95 . 1 1 18 18 SER H H 1 8.27 . . 1 . . . . . . . . 6098 1 96 . 1 1 18 18 SER N N 15 116.2 . . 1 . . . . . . . . 6098 1 97 . 1 1 18 18 SER CA C 13 59.2 . . 1 . . . . . . . . 6098 1 98 . 1 1 18 18 SER HA H 1 4.33 . . 1 . . . . . . . . 6098 1 99 . 1 1 18 18 SER C C 13 175.1 . . 1 . . . . . . . . 6098 1 100 . 1 1 18 18 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 101 . 1 1 19 19 GLU H H 1 8.38 . . 1 . . . . . . . . 6098 1 102 . 1 1 19 19 GLU N N 15 122.5 . . 1 . . . . . . . . 6098 1 103 . 1 1 19 19 GLU CA C 13 57.4 . . 1 . . . . . . . . 6098 1 104 . 1 1 19 19 GLU HA H 1 4.18 . . 1 . . . . . . . . 6098 1 105 . 1 1 19 19 GLU C C 13 177.3 . . 1 . . . . . . . . 6098 1 106 . 1 1 19 19 GLU CB C 13 29.9 . . 1 . . . . . . . . 6098 1 107 . 1 1 20 20 VAL H H 1 7.92 . . 1 . . . . . . . . 6098 1 108 . 1 1 20 20 VAL N N 15 120.1 . . 1 . . . . . . . . 6098 1 109 . 1 1 20 20 VAL CA C 13 63.9 . . 1 . . . . . . . . 6098 1 110 . 1 1 20 20 VAL HA H 1 3.84 . . 1 . . . . . . . . 6098 1 111 . 1 1 20 20 VAL C C 13 176.5 . . 1 . . . . . . . . 6098 1 112 . 1 1 20 20 VAL CB C 13 32.6 . . 1 . . . . . . . . 6098 1 113 . 1 1 21 21 ASP H H 1 8.15 . . 1 . . . . . . . . 6098 1 114 . 1 1 21 21 ASP N N 15 122.1 . . 1 . . . . . . . . 6098 1 115 . 1 1 21 21 ASP CA C 13 55.3 . . 1 . . . . . . . . 6098 1 116 . 1 1 21 21 ASP HA H 1 4.44 . . 1 . . . . . . . . 6098 1 117 . 1 1 21 21 ASP C C 13 177.2 . . 1 . . . . . . . . 6098 1 118 . 1 1 21 21 ASP CB C 13 41.1 . . 1 . . . . . . . . 6098 1 119 . 1 1 22 22 LYS H H 1 8.09 . . 1 . . . . . . . . 6098 1 120 . 1 1 22 22 LYS N N 15 121.2 . . 1 . . . . . . . . 6098 1 121 . 1 1 22 22 LYS CA C 13 57.9 . . 1 . . . . . . . . 6098 1 122 . 1 1 22 22 LYS HA H 1 4.04 . . 1 . . . . . . . . 6098 1 123 . 1 1 22 22 LYS C C 13 177.7 . . 1 . . . . . . . . 6098 1 124 . 1 1 22 22 LYS CB C 13 32.7 . . 1 . . . . . . . . 6098 1 125 . 1 1 23 23 LYS H H 1 8.1 . . 1 . . . . . . . . 6098 1 126 . 1 1 23 23 LYS N N 15 119.9 . . 1 . . . . . . . . 6098 1 127 . 1 1 23 23 LYS CA C 13 57.7 . . 1 . . . . . . . . 6098 1 128 . 1 1 23 23 LYS HA H 1 4.08 . . 1 . . . . . . . . 6098 1 129 . 1 1 23 23 LYS C C 13 177.4 . . 1 . . . . . . . . 6098 1 130 . 1 1 23 23 LYS CB C 13 32.5 . . 1 . . . . . . . . 6098 1 131 . 1 1 24 24 LEU H H 1 7.9 . . 1 . . . . . . . . 6098 1 132 . 1 1 24 24 LEU N N 15 120.9 . . 1 . . . . . . . . 6098 1 133 . 1 1 24 24 LEU CA C 13 55.9 . . 1 . . . . . . . . 6098 1 134 . 1 1 24 24 LEU HA H 1 4.17 . . 1 . . . . . . . . 6098 1 135 . 1 1 24 24 LEU C C 13 177.7 . . 1 . . . . . . . . 6098 1 136 . 1 1 24 24 LEU CB C 13 42.2 . . 1 . . . . . . . . 6098 1 137 . 1 1 25 25 LYS H H 1 8.04 . . 1 . . . . . . . . 6098 1 138 . 1 1 25 25 LYS N N 15 121 . . 1 . . . . . . . . 6098 1 139 . 1 1 25 25 LYS CA C 13 56.9 . . 1 . . . . . . . . 6098 1 140 . 1 1 25 25 LYS HA H 1 4.12 . . 1 . . . . . . . . 6098 1 141 . 1 1 25 25 LYS C C 13 176.8 . . 1 . . . . . . . . 6098 1 142 . 1 1 25 25 LYS CB C 13 32.7 . . 1 . . . . . . . . 6098 1 143 . 1 1 26 26 ARG H H 1 8.05 . . 1 . . . . . . . . 6098 1 144 . 1 1 26 26 ARG N N 15 121.1 . . 1 . . . . . . . . 6098 1 145 . 1 1 26 26 ARG CA C 13 56.4 . . 1 . . . . . . . . 6098 1 146 . 1 1 26 26 ARG HA H 1 4.21 . . 1 . . . . . . . . 6098 1 147 . 1 1 26 26 ARG C C 13 176.4 . . 1 . . . . . . . . 6098 1 148 . 1 1 26 26 ARG CB C 13 30.9 . . 1 . . . . . . . . 6098 1 149 . 1 1 27 27 LYS H H 1 8.2 . . 1 . . . . . . . . 6098 1 150 . 1 1 27 27 LYS N N 15 122.4 . . 1 . . . . . . . . 6098 1 151 . 1 1 27 27 LYS CA C 13 56.5 . . 1 . . . . . . . . 6098 1 152 . 1 1 27 27 LYS HA H 1 4.18 . . 1 . . . . . . . . 6098 1 153 . 1 1 27 27 LYS C C 13 176.5 . . 1 . . . . . . . . 6098 1 154 . 1 1 27 27 LYS CB C 13 33.2 . . 1 . . . . . . . . 6098 1 155 . 1 1 28 28 LYS H H 1 8.24 . . 1 . . . . . . . . 6098 1 156 . 1 1 28 28 LYS N N 15 122.6 . . 1 . . . . . . . . 6098 1 157 . 1 1 28 28 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 1 158 . 1 1 28 28 LYS HA H 1 4.18 . . 1 . . . . . . . . 6098 1 159 . 1 1 28 28 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 1 160 . 1 1 28 28 LYS CB C 13 33.2 . . 1 . . . . . . . . 6098 1 161 . 1 1 29 29 GLN H H 1 8.35 . . 1 . . . . . . . . 6098 1 162 . 1 1 29 29 GLN N N 15 122.4 . . 1 . . . . . . . . 6098 1 163 . 1 1 29 29 GLN CA C 13 55.9 . . 1 . . . . . . . . 6098 1 164 . 1 1 29 29 GLN HA H 1 4.27 . . 1 . . . . . . . . 6098 1 165 . 1 1 29 29 GLN C C 13 175.7 . . 1 . . . . . . . . 6098 1 166 . 1 1 29 29 GLN CB C 13 29.7 . . 1 . . . . . . . . 6098 1 167 . 1 1 30 30 VAL H H 1 8.18 . . 1 . . . . . . . . 6098 1 168 . 1 1 30 30 VAL N N 15 122.1 . . 1 . . . . . . . . 6098 1 169 . 1 1 30 30 VAL CA C 13 62.2 . . 1 . . . . . . . . 6098 1 170 . 1 1 30 30 VAL HA H 1 4.03 . . 1 . . . . . . . . 6098 1 171 . 1 1 30 30 VAL C C 13 175.4 . . 1 . . . . . . . . 6098 1 172 . 1 1 30 30 VAL CB C 13 33.1 . . 1 . . . . . . . . 6098 1 173 . 1 1 31 31 ALA H H 1 8.35 . . 1 . . . . . . . . 6098 1 174 . 1 1 31 31 ALA N N 15 129.1 . . 1 . . . . . . . . 6098 1 175 . 1 1 31 31 ALA CA C 13 50.4 . . 1 . . . . . . . . 6098 1 176 . 1 1 31 31 ALA HA H 1 4.53 . . 1 . . . . . . . . 6098 1 177 . 1 1 31 31 ALA C C 13 175.2 . . 1 . . . . . . . . 6098 1 178 . 1 1 31 31 ALA CB C 13 18.4 . . 1 . . . . . . . . 6098 1 179 . 1 1 32 32 PRO CA C 13 62.9 . . 1 . . . . . . . . 6098 1 180 . 1 1 32 32 PRO HA H 1 4.33 . . 1 . . . . . . . . 6098 1 181 . 1 1 32 32 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 1 182 . 1 1 32 32 PRO CB C 13 32.2 . . 1 . . . . . . . . 6098 1 183 . 1 1 33 33 GLU H H 1 8.44 . . 1 . . . . . . . . 6098 1 184 . 1 1 33 33 GLU N N 15 121.5 . . 1 . . . . . . . . 6098 1 185 . 1 1 33 33 GLU CA C 13 56.4 . . 1 . . . . . . . . 6098 1 186 . 1 1 33 33 GLU HA H 1 4.15 . . 1 . . . . . . . . 6098 1 187 . 1 1 33 33 GLU C C 13 176.2 . . 1 . . . . . . . . 6098 1 188 . 1 1 33 33 GLU CB C 13 30.4 . . 1 . . . . . . . . 6098 1 189 . 1 1 34 34 LYS H H 1 8.31 . . 1 . . . . . . . . 6098 1 190 . 1 1 34 34 LYS N N 15 123.7 . . 1 . . . . . . . . 6098 1 191 . 1 1 34 34 LYS CA C 13 54.2 . . 1 . . . . . . . . 6098 1 192 . 1 1 34 34 LYS HA H 1 4.51 . . 1 . . . . . . . . 6098 1 193 . 1 1 34 34 LYS C C 13 174.3 . . 1 . . . . . . . . 6098 1 194 . 1 1 34 34 LYS CB C 13 32.6 . . 1 . . . . . . . . 6098 1 195 . 1 1 35 35 PRO CA C 13 63 . . 1 . . . . . . . . 6098 1 196 . 1 1 35 35 PRO HA H 1 4.36 . . 1 . . . . . . . . 6098 1 197 . 1 1 35 35 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 1 198 . 1 1 35 35 PRO CB C 13 32.2 . . 1 . . . . . . . . 6098 1 199 . 1 1 36 36 VAL H H 1 8.22 . . 1 . . . . . . . . 6098 1 200 . 1 1 36 36 VAL N N 15 121.1 . . 1 . . . . . . . . 6098 1 201 . 1 1 36 36 VAL CA C 13 62.4 . . 1 . . . . . . . . 6098 1 202 . 1 1 36 36 VAL HA H 1 3.99 . . 1 . . . . . . . . 6098 1 203 . 1 1 36 36 VAL C C 13 176.1 . . 1 . . . . . . . . 6098 1 204 . 1 1 36 36 VAL CB C 13 33.1 . . 1 . . . . . . . . 6098 1 205 . 1 1 37 37 LYS H H 1 8.35 . . 1 . . . . . . . . 6098 1 206 . 1 1 37 37 LYS N N 15 125.7 . . 1 . . . . . . . . 6098 1 207 . 1 1 37 37 LYS CA C 13 56.3 . . 1 . . . . . . . . 6098 1 208 . 1 1 37 37 LYS HA H 1 4.24 . . 1 . . . . . . . . 6098 1 209 . 1 1 37 37 LYS C C 13 176.2 . . 1 . . . . . . . . 6098 1 210 . 1 1 37 37 LYS CB C 13 33.4 . . 1 . . . . . . . . 6098 1 211 . 1 1 38 38 LYS H H 1 8.36 . . 1 . . . . . . . . 6098 1 212 . 1 1 38 38 LYS N N 15 123.7 . . 1 . . . . . . . . 6098 1 213 . 1 1 38 38 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 1 214 . 1 1 38 38 LYS HA H 1 4.22 . . 1 . . . . . . . . 6098 1 215 . 1 1 38 38 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 1 216 . 1 1 38 38 LYS CB C 13 33.3 . . 1 . . . . . . . . 6098 1 217 . 1 1 39 39 GLN H H 1 8.42 . . 1 . . . . . . . . 6098 1 218 . 1 1 39 39 GLN N N 15 122.3 . . 1 . . . . . . . . 6098 1 219 . 1 1 39 39 GLN CA C 13 55.9 . . 1 . . . . . . . . 6098 1 220 . 1 1 39 39 GLN HA H 1 4.25 . . 1 . . . . . . . . 6098 1 221 . 1 1 39 39 GLN C C 13 175.9 . . 1 . . . . . . . . 6098 1 222 . 1 1 39 39 GLN CB C 13 29.9 . . 1 . . . . . . . . 6098 1 223 . 1 1 40 40 LYS H H 1 8.5 . . 1 . . . . . . . . 6098 1 224 . 1 1 40 40 LYS N N 15 123.5 . . 1 . . . . . . . . 6098 1 225 . 1 1 40 40 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 1 226 . 1 1 40 40 LYS HA H 1 4.31 . . 1 . . . . . . . . 6098 1 227 . 1 1 40 40 LYS C C 13 176.7 . . 1 . . . . . . . . 6098 1 228 . 1 1 40 40 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 1 229 . 1 1 41 41 THR H H 1 8.23 . . 1 . . . . . . . . 6098 1 230 . 1 1 41 41 THR N N 15 115.8 . . 1 . . . . . . . . 6098 1 231 . 1 1 41 41 THR CA C 13 62.3 . . 1 . . . . . . . . 6098 1 232 . 1 1 41 41 THR HA H 1 4.28 . . 1 . . . . . . . . 6098 1 233 . 1 1 41 41 THR C C 13 175.1 . . 1 . . . . . . . . 6098 1 234 . 1 1 41 41 THR CB C 13 70 . . 1 . . . . . . . . 6098 1 235 . 1 1 42 42 GLY H H 1 8.48 . . 1 . . . . . . . . 6098 1 236 . 1 1 42 42 GLY N N 15 111.4 . . 1 . . . . . . . . 6098 1 237 . 1 1 42 42 GLY CA C 13 45.5 . . 1 . . . . . . . . 6098 1 238 . 1 1 42 42 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 6098 1 239 . 1 1 42 42 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 6098 1 240 . 1 1 42 42 GLY C C 13 174.2 . . 1 . . . . . . . . 6098 1 241 . 1 1 43 43 GLU H H 1 8.26 . . 1 . . . . . . . . 6098 1 242 . 1 1 43 43 GLU N N 15 120.8 . . 1 . . . . . . . . 6098 1 243 . 1 1 43 43 GLU CA C 13 56.6 . . 1 . . . . . . . . 6098 1 244 . 1 1 43 43 GLU HA H 1 4.29 . . 1 . . . . . . . . 6098 1 245 . 1 1 43 43 GLU C C 13 176.9 . . 1 . . . . . . . . 6098 1 246 . 1 1 43 43 GLU CB C 13 30.5 . . 1 . . . . . . . . 6098 1 247 . 1 1 44 44 THR H H 1 8.27 . . 1 . . . . . . . . 6098 1 248 . 1 1 44 44 THR N N 15 115.4 . . 1 . . . . . . . . 6098 1 249 . 1 1 44 44 THR CA C 13 62.3 . . 1 . . . . . . . . 6098 1 250 . 1 1 44 44 THR HA H 1 4.28 . . 1 . . . . . . . . 6098 1 251 . 1 1 44 44 THR C C 13 174.7 . . 1 . . . . . . . . 6098 1 252 . 1 1 44 44 THR CB C 13 70 . . 1 . . . . . . . . 6098 1 253 . 1 1 45 45 SER H H 1 8.35 . . 1 . . . . . . . . 6098 1 254 . 1 1 45 45 SER N N 15 118.3 . . 1 . . . . . . . . 6098 1 255 . 1 1 45 45 SER CA C 13 58.7 . . 1 . . . . . . . . 6098 1 256 . 1 1 45 45 SER HA H 1 4.36 . . 1 . . . . . . . . 6098 1 257 . 1 1 45 45 SER C C 13 174.7 . . 1 . . . . . . . . 6098 1 258 . 1 1 45 45 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 259 . 1 1 46 46 ARG H H 1 8.32 . . 1 . . . . . . . . 6098 1 260 . 1 1 46 46 ARG N N 15 123.4 . . 1 . . . . . . . . 6098 1 261 . 1 1 46 46 ARG CA C 13 56.4 . . 1 . . . . . . . . 6098 1 262 . 1 1 46 46 ARG HA H 1 4.24 . . 1 . . . . . . . . 6098 1 263 . 1 1 46 46 ARG C C 13 176.1 . . 1 . . . . . . . . 6098 1 264 . 1 1 46 46 ARG CB C 13 30.8 . . 1 . . . . . . . . 6098 1 265 . 1 1 47 47 ALA H H 1 8.23 . . 1 . . . . . . . . 6098 1 266 . 1 1 47 47 ALA N N 15 124.8 . . 1 . . . . . . . . 6098 1 267 . 1 1 47 47 ALA CA C 13 52.8 . . 1 . . . . . . . . 6098 1 268 . 1 1 47 47 ALA HA H 1 4.21 . . 1 . . . . . . . . 6098 1 269 . 1 1 47 47 ALA C C 13 177.8 . . 1 . . . . . . . . 6098 1 270 . 1 1 47 47 ALA CB C 13 19.2 . . 1 . . . . . . . . 6098 1 271 . 1 1 48 48 LEU H H 1 8.16 . . 1 . . . . . . . . 6098 1 272 . 1 1 48 48 LEU N N 15 121.3 . . 1 . . . . . . . . 6098 1 273 . 1 1 48 48 LEU CA C 13 55.3 . . 1 . . . . . . . . 6098 1 274 . 1 1 48 48 LEU HA H 1 4.27 . . 1 . . . . . . . . 6098 1 275 . 1 1 48 48 LEU C C 13 177.7 . . 1 . . . . . . . . 6098 1 276 . 1 1 48 48 LEU CB C 13 42.5 . . 1 . . . . . . . . 6098 1 277 . 1 1 49 49 SER H H 1 8.25 . . 1 . . . . . . . . 6098 1 278 . 1 1 49 49 SER N N 15 116.4 . . 1 . . . . . . . . 6098 1 279 . 1 1 49 49 SER CA C 13 58.6 . . 1 . . . . . . . . 6098 1 280 . 1 1 49 49 SER HA H 1 4.38 . . 1 . . . . . . . . 6098 1 281 . 1 1 49 49 SER C C 13 174.8 . . 1 . . . . . . . . 6098 1 282 . 1 1 49 49 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 283 . 1 1 50 50 SER H H 1 8.31 . . 1 . . . . . . . . 6098 1 284 . 1 1 50 50 SER N N 15 117.7 . . 1 . . . . . . . . 6098 1 285 . 1 1 50 50 SER CA C 13 58.7 . . 1 . . . . . . . . 6098 1 286 . 1 1 50 50 SER HA H 1 4.42 . . 1 . . . . . . . . 6098 1 287 . 1 1 50 50 SER C C 13 174.8 . . 1 . . . . . . . . 6098 1 288 . 1 1 50 50 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 289 . 1 1 51 51 SER H H 1 8.29 . . 1 . . . . . . . . 6098 1 290 . 1 1 51 51 SER N N 15 117.9 . . 1 . . . . . . . . 6098 1 291 . 1 1 51 51 SER CA C 13 58.8 . . 1 . . . . . . . . 6098 1 292 . 1 1 51 51 SER HA H 1 4.39 . . 1 . . . . . . . . 6098 1 293 . 1 1 51 51 SER C C 13 174.6 . . 1 . . . . . . . . 6098 1 294 . 1 1 51 51 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 1 295 . 1 1 52 52 LYS H H 1 8.25 . . 1 . . . . . . . . 6098 1 296 . 1 1 52 52 LYS N N 15 123 . . 1 . . . . . . . . 6098 1 297 . 1 1 52 52 LYS CA C 13 56.6 . . 1 . . . . . . . . 6098 1 298 . 1 1 52 52 LYS HA H 1 4.24 . . 1 . . . . . . . . 6098 1 299 . 1 1 52 52 LYS C C 13 176.6 . . 1 . . . . . . . . 6098 1 300 . 1 1 52 52 LYS CB C 13 33 . . 1 . . . . . . . . 6098 1 301 . 1 1 53 53 GLN H H 1 8.32 . . 1 . . . . . . . . 6098 1 302 . 1 1 53 53 GLN N N 15 121.3 . . 1 . . . . . . . . 6098 1 303 . 1 1 53 53 GLN CA C 13 56.2 . . 1 . . . . . . . . 6098 1 304 . 1 1 53 53 GLN HA H 1 4.27 . . 1 . . . . . . . . 6098 1 305 . 1 1 53 53 GLN C C 13 176.1 . . 1 . . . . . . . . 6098 1 306 . 1 1 53 53 GLN CB C 13 29.6 . . 1 . . . . . . . . 6098 1 307 . 1 1 54 54 SER H H 1 8.36 . . 1 . . . . . . . . 6098 1 308 . 1 1 54 54 SER N N 15 117.3 . . 1 . . . . . . . . 6098 1 309 . 1 1 54 54 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 1 310 . 1 1 54 54 SER HA H 1 4.41 . . 1 . . . . . . . . 6098 1 311 . 1 1 54 54 SER C C 13 174.7 . . 1 . . . . . . . . 6098 1 312 . 1 1 54 54 SER CB C 13 64.1 . . 1 . . . . . . . . 6098 1 313 . 1 1 55 55 SER H H 1 8.41 . . 5 . . . . . . . . 6098 1 314 . 1 1 55 55 SER N N 15 118.1 . . 5 . . . . . . . . 6098 1 315 . 1 1 55 55 SER CA C 13 58.6 . . 5 . . . . . . . . 6098 1 316 . 1 1 55 55 SER HA H 1 4.43 . . 5 . . . . . . . . 6098 1 317 . 1 1 55 55 SER C C 13 174.6 . . 5 . . . . . . . . 6098 1 318 . 1 1 55 55 SER CB C 13 64 . . 5 . . . . . . . . 6098 1 319 . 1 1 56 56 SER H H 1 8.35 . . 5 . . . . . . . . 6098 1 320 . 1 1 56 56 SER N N 15 117.8 . . 5 . . . . . . . . 6098 1 321 . 1 1 56 56 SER CA C 13 58.6 . . 5 . . . . . . . . 6098 1 322 . 1 1 56 56 SER HA H 1 4.42 . . 5 . . . . . . . . 6098 1 323 . 1 1 56 56 SER C C 13 174.6 . . 5 . . . . . . . . 6098 1 324 . 1 1 56 56 SER CB C 13 64 . . 5 . . . . . . . . 6098 1 325 . 1 1 57 57 SER H H 1 8.31 . . 5 . . . . . . . . 6098 1 326 . 1 1 57 57 SER N N 15 118.1 . . 5 . . . . . . . . 6098 1 327 . 1 1 57 57 SER CA C 13 58.7 . . 5 . . . . . . . . 6098 1 328 . 1 1 57 57 SER HA H 1 4.36 . . 5 . . . . . . . . 6098 1 329 . 1 1 57 57 SER C C 13 174.5 . . 5 . . . . . . . . 6098 1 330 . 1 1 57 57 SER CB C 13 63.9 . . 5 . . . . . . . . 6098 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 53 6098 1 1 47 6098 1 1 41 6098 1 2 54 6098 1 2 48 6098 1 2 42 6098 1 3 55 6098 1 3 49 6098 1 3 43 6098 1 4 56 6098 1 4 50 6098 1 4 44 6098 1 5 57 6098 1 5 51 6098 1 5 45 6098 1 6 58 6098 1 6 52 6098 1 6 46 6098 1 7 325 6098 1 7 319 6098 1 7 313 6098 1 8 326 6098 1 8 320 6098 1 8 314 6098 1 9 327 6098 1 9 321 6098 1 9 315 6098 1 10 328 6098 1 10 322 6098 1 10 316 6098 1 11 329 6098 1 11 323 6098 1 11 317 6098 1 12 330 6098 1 12 324 6098 1 12 318 6098 1 stop_ save_ save_chemical_shift_PC4_305K_HS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_PC4_305K_HS _Assigned_chem_shift_list.Entry_ID 6098 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $condition_PC4_305K_HS _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_PC4_305K_HS . 6098 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS CA C 13 56.6 . . 1 . . . . . . . . 6098 2 2 . 1 1 2 2 LYS C C 13 176.4 . . 1 . . . . . . . . 6098 2 3 . 1 1 2 2 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 2 4 . 1 1 3 3 SER H H 1 8.39 . . 1 . . . . . . . . 6098 2 5 . 1 1 3 3 SER N N 15 117.6 . . 1 . . . . . . . . 6098 2 6 . 1 1 3 3 SER CA C 13 58.4 . . 1 . . . . . . . . 6098 2 7 . 1 1 3 3 SER C C 13 174.6 . . 1 . . . . . . . . 6098 2 8 . 1 1 3 3 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 9 . 1 1 4 4 LYS H H 1 8.36 . . 1 . . . . . . . . 6098 2 10 . 1 1 4 4 LYS N N 15 123.3 . . 1 . . . . . . . . 6098 2 11 . 1 1 4 4 LYS CA C 13 56.5 . . 1 . . . . . . . . 6098 2 12 . 1 1 4 4 LYS C C 13 176.4 . . 1 . . . . . . . . 6098 2 13 . 1 1 4 4 LYS CB C 13 32.9 . . 1 . . . . . . . . 6098 2 14 . 1 1 5 5 GLU H H 1 8.28 . . 1 . . . . . . . . 6098 2 15 . 1 1 5 5 GLU N N 15 121.3 . . 1 . . . . . . . . 6098 2 16 . 1 1 5 5 GLU CA C 13 56.4 . . 1 . . . . . . . . 6098 2 17 . 1 1 5 5 GLU C C 13 176.2 . . 1 . . . . . . . . 6098 2 18 . 1 1 5 5 GLU CB C 13 30.1 . . 1 . . . . . . . . 6098 2 19 . 1 1 6 6 LEU H H 1 8.13 . . 1 . . . . . . . . 6098 2 20 . 1 1 6 6 LEU N N 15 123.1 . . 1 . . . . . . . . 6098 2 21 . 1 1 6 6 LEU CA C 13 55.1 . . 1 . . . . . . . . 6098 2 22 . 1 1 6 6 LEU C C 13 177.2 . . 1 . . . . . . . . 6098 2 23 . 1 1 6 6 LEU CB C 13 42.3 . . 1 . . . . . . . . 6098 2 24 . 1 1 7 7 VAL H H 1 8 . . 1 . . . . . . . . 6098 2 25 . 1 1 7 7 VAL N N 15 120.8 . . 1 . . . . . . . . 6098 2 26 . 1 1 7 7 VAL CA C 13 62.3 . . 1 . . . . . . . . 6098 2 27 . 1 1 7 7 VAL C C 13 176.1 . . 1 . . . . . . . . 6098 2 28 . 1 1 7 7 VAL CB C 13 32.8 . . 1 . . . . . . . . 6098 2 29 . 1 1 8 8 SER H H 1 8.33 . . 1 . . . . . . . . 6098 2 30 . 1 1 8 8 SER N N 15 119.3 . . 1 . . . . . . . . 6098 2 31 . 1 1 8 8 SER CA C 13 58.2 . . 1 . . . . . . . . 6098 2 32 . 1 1 8 8 SER C C 13 174.7 . . 1 . . . . . . . . 6098 2 33 . 1 1 8 8 SER CB C 13 64 . . 1 . . . . . . . . 6098 2 34 . 1 1 9 9 SER H H 1 8.34 . . 5 . . . . . . . . 6098 2 35 . 1 1 9 9 SER N N 15 118.1 . . 5 . . . . . . . . 6098 2 36 . 1 1 9 9 SER CA C 13 58.3 . . 5 . . . . . . . . 6098 2 37 . 1 1 9 9 SER C C 13 174.7 . . 5 . . . . . . . . 6098 2 38 . 1 1 9 9 SER CB C 13 64 . . 5 . . . . . . . . 6098 2 39 . 1 1 10 10 SER H H 1 8.32 . . 5 . . . . . . . . 6098 2 40 . 1 1 10 10 SER N N 15 117.6 . . 5 . . . . . . . . 6098 2 41 . 1 1 10 10 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 2 42 . 1 1 10 10 SER C C 13 174.6 . . 5 . . . . . . . . 6098 2 43 . 1 1 10 10 SER CB C 13 63.9 . . 5 . . . . . . . . 6098 2 44 . 1 1 11 11 SER H H 1 8.3 . . 5 . . . . . . . . 6098 2 45 . 1 1 11 11 SER N N 15 117.8 . . 5 . . . . . . . . 6098 2 46 . 1 1 11 11 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 2 47 . 1 1 11 11 SER C C 13 174.7 . . 5 . . . . . . . . 6098 2 48 . 1 1 11 11 SER CB C 13 64 . . 5 . . . . . . . . 6098 2 49 . 1 1 12 12 SER H H 1 8.32 . . 1 . . . . . . . . 6098 2 50 . 1 1 12 12 SER N N 15 117.8 . . 1 . . . . . . . . 6098 2 51 . 1 1 12 12 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 2 52 . 1 1 12 12 SER C C 13 175 . . 1 . . . . . . . . 6098 2 53 . 1 1 12 12 SER CB C 13 64 . . 1 . . . . . . . . 6098 2 54 . 1 1 13 13 GLY H H 1 8.35 . . 1 . . . . . . . . 6098 2 55 . 1 1 13 13 GLY N N 15 110.9 . . 1 . . . . . . . . 6098 2 56 . 1 1 13 13 GLY CA C 13 45.5 . . 1 . . . . . . . . 6098 2 57 . 1 1 13 13 GLY C C 13 174.2 . . 1 . . . . . . . . 6098 2 58 . 1 1 14 14 SER H H 1 8.2 . . 1 . . . . . . . . 6098 2 59 . 1 1 14 14 SER N N 15 115.7 . . 1 . . . . . . . . 6098 2 60 . 1 1 14 14 SER CA C 13 58.2 . . 1 . . . . . . . . 6098 2 61 . 1 1 14 14 SER C C 13 174.5 . . 1 . . . . . . . . 6098 2 62 . 1 1 14 14 SER CB C 13 64.1 . . 1 . . . . . . . . 6098 2 63 . 1 1 15 15 ASP H H 1 8.41 . . 1 . . . . . . . . 6098 2 64 . 1 1 15 15 ASP N N 15 122.4 . . 1 . . . . . . . . 6098 2 65 . 1 1 15 15 ASP CA C 13 54.5 . . 1 . . . . . . . . 6098 2 66 . 1 1 15 15 ASP C C 13 176.3 . . 1 . . . . . . . . 6098 2 67 . 1 1 15 15 ASP CB C 13 41.1 . . 1 . . . . . . . . 6098 2 68 . 1 1 16 16 SER H H 1 8.18 . . 1 . . . . . . . . 6098 2 69 . 1 1 16 16 SER N N 15 115.7 . . 1 . . . . . . . . 6098 2 70 . 1 1 16 16 SER CA C 13 58.7 . . 1 . . . . . . . . 6098 2 71 . 1 1 16 16 SER C C 13 174.5 . . 1 . . . . . . . . 6098 2 72 . 1 1 16 16 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 73 . 1 1 17 17 ASP H H 1 8.3 . . 1 . . . . . . . . 6098 2 74 . 1 1 17 17 ASP N N 15 122.4 . . 1 . . . . . . . . 6098 2 75 . 1 1 17 17 ASP CA C 13 54.7 . . 1 . . . . . . . . 6098 2 76 . 1 1 17 17 ASP C C 13 176.4 . . 1 . . . . . . . . 6098 2 77 . 1 1 17 17 ASP CB C 13 41.1 . . 1 . . . . . . . . 6098 2 78 . 1 1 18 18 SER H H 1 8.19 . . 1 . . . . . . . . 6098 2 79 . 1 1 18 18 SER N N 15 115.9 . . 1 . . . . . . . . 6098 2 80 . 1 1 18 18 SER CA C 13 58.8 . . 1 . . . . . . . . 6098 2 81 . 1 1 18 18 SER C C 13 174.9 . . 1 . . . . . . . . 6098 2 82 . 1 1 18 18 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 83 . 1 1 19 19 GLU H H 1 8.34 . . 1 . . . . . . . . 6098 2 84 . 1 1 19 19 GLU N N 15 122.4 . . 1 . . . . . . . . 6098 2 85 . 1 1 19 19 GLU CA C 13 57 . . 1 . . . . . . . . 6098 2 86 . 1 1 19 19 GLU C C 13 177 . . 1 . . . . . . . . 6098 2 87 . 1 1 19 19 GLU CB C 13 29.8 . . 1 . . . . . . . . 6098 2 88 . 1 1 20 20 VAL H H 1 7.89 . . 1 . . . . . . . . 6098 2 89 . 1 1 20 20 VAL N N 15 119.8 . . 1 . . . . . . . . 6098 2 90 . 1 1 20 20 VAL CA C 13 63.5 . . 1 . . . . . . . . 6098 2 91 . 1 1 20 20 VAL C C 13 176.2 . . 1 . . . . . . . . 6098 2 92 . 1 1 20 20 VAL CB C 13 32.6 . . 1 . . . . . . . . 6098 2 93 . 1 1 21 21 ASP H H 1 8.16 . . 1 . . . . . . . . 6098 2 94 . 1 1 21 21 ASP N N 15 122.3 . . 1 . . . . . . . . 6098 2 95 . 1 1 21 21 ASP CA C 13 54.9 . . 1 . . . . . . . . 6098 2 96 . 1 1 21 21 ASP C C 13 176.9 . . 1 . . . . . . . . 6098 2 97 . 1 1 21 21 ASP CB C 13 41 . . 1 . . . . . . . . 6098 2 98 . 1 1 22 22 LYS H H 1 8.05 . . 1 . . . . . . . . 6098 2 99 . 1 1 22 22 LYS N N 15 121.3 . . 1 . . . . . . . . 6098 2 100 . 1 1 22 22 LYS CA C 13 57.6 . . 1 . . . . . . . . 6098 2 101 . 1 1 22 22 LYS C C 13 177.4 . . 1 . . . . . . . . 6098 2 102 . 1 1 22 22 LYS CB C 13 32.7 . . 1 . . . . . . . . 6098 2 103 . 1 1 23 23 LYS H H 1 8.1 . . 1 . . . . . . . . 6098 2 104 . 1 1 23 23 LYS N N 15 120.2 . . 1 . . . . . . . . 6098 2 105 . 1 1 23 23 LYS CA C 13 57.4 . . 1 . . . . . . . . 6098 2 106 . 1 1 23 23 LYS C C 13 177.2 . . 1 . . . . . . . . 6098 2 107 . 1 1 23 23 LYS CB C 13 32.5 . . 1 . . . . . . . . 6098 2 108 . 1 1 24 24 LEU H H 1 7.9 . . 1 . . . . . . . . 6098 2 109 . 1 1 24 24 LEU N N 15 121.2 . . 1 . . . . . . . . 6098 2 110 . 1 1 24 24 LEU CA C 13 55.6 . . 1 . . . . . . . . 6098 2 111 . 1 1 24 24 LEU C C 13 177.6 . . 1 . . . . . . . . 6098 2 112 . 1 1 24 24 LEU CB C 13 42.1 . . 1 . . . . . . . . 6098 2 113 . 1 1 25 25 LYS H H 1 8.03 . . 1 . . . . . . . . 6098 2 114 . 1 1 25 25 LYS N N 15 121 . . 1 . . . . . . . . 6098 2 115 . 1 1 25 25 LYS CA C 13 56.5 . . 1 . . . . . . . . 6098 2 116 . 1 1 25 25 LYS C C 13 176.7 . . 1 . . . . . . . . 6098 2 117 . 1 1 25 25 LYS CB C 13 32.7 . . 1 . . . . . . . . 6098 2 118 . 1 1 26 26 ARG H H 1 8.03 . . 1 . . . . . . . . 6098 2 119 . 1 1 26 26 ARG N N 15 121.1 . . 1 . . . . . . . . 6098 2 120 . 1 1 26 26 ARG CA C 13 56.3 . . 1 . . . . . . . . 6098 2 121 . 1 1 26 26 ARG C C 13 176.3 . . 1 . . . . . . . . 6098 2 122 . 1 1 26 26 ARG CB C 13 30.8 . . 1 . . . . . . . . 6098 2 123 . 1 1 27 27 LYS H H 1 8.15 . . 1 . . . . . . . . 6098 2 124 . 1 1 27 27 LYS N N 15 122.2 . . 1 . . . . . . . . 6098 2 125 . 1 1 27 27 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 2 126 . 1 1 27 27 LYS C C 13 176.5 . . 1 . . . . . . . . 6098 2 127 . 1 1 27 27 LYS CB C 13 33 . . 1 . . . . . . . . 6098 2 128 . 1 1 28 28 LYS H H 1 8.18 . . 1 . . . . . . . . 6098 2 129 . 1 1 28 28 LYS N N 15 122.3 . . 1 . . . . . . . . 6098 2 130 . 1 1 28 28 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 2 131 . 1 1 28 28 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 2 132 . 1 1 28 28 LYS CB C 13 33 . . 1 . . . . . . . . 6098 2 133 . 1 1 29 29 GLN H H 1 8.28 . . 1 . . . . . . . . 6098 2 134 . 1 1 29 29 GLN N N 15 122 . . 1 . . . . . . . . 6098 2 135 . 1 1 29 29 GLN CA C 13 55.8 . . 1 . . . . . . . . 6098 2 136 . 1 1 29 29 GLN C C 13 175.6 . . 1 . . . . . . . . 6098 2 137 . 1 1 29 29 GLN CB C 13 29.6 . . 1 . . . . . . . . 6098 2 138 . 1 1 30 30 VAL H H 1 8.09 . . 1 . . . . . . . . 6098 2 139 . 1 1 30 30 VAL N N 15 121.6 . . 1 . . . . . . . . 6098 2 140 . 1 1 30 30 VAL CA C 13 62 . . 1 . . . . . . . . 6098 2 141 . 1 1 30 30 VAL C C 13 175.3 . . 1 . . . . . . . . 6098 2 142 . 1 1 30 30 VAL CB C 13 32.9 . . 1 . . . . . . . . 6098 2 143 . 1 1 31 31 ALA H H 1 8.28 . . 1 . . . . . . . . 6098 2 144 . 1 1 31 31 ALA N N 15 128.8 . . 1 . . . . . . . . 6098 2 145 . 1 1 31 31 ALA CA C 13 50.3 . . 1 . . . . . . . . 6098 2 146 . 1 1 31 31 ALA CB C 13 18.4 . . 1 . . . . . . . . 6098 2 147 . 1 1 32 32 PRO CA C 13 62.8 . . 1 . . . . . . . . 6098 2 148 . 1 1 32 32 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 2 149 . 1 1 32 32 PRO CB C 13 32.1 . . 1 . . . . . . . . 6098 2 150 . 1 1 33 33 GLU H H 1 8.37 . . 1 . . . . . . . . 6098 2 151 . 1 1 33 33 GLU N N 15 121 . . 1 . . . . . . . . 6098 2 152 . 1 1 33 33 GLU CA C 13 56.4 . . 1 . . . . . . . . 6098 2 153 . 1 1 33 33 GLU C C 13 176.2 . . 1 . . . . . . . . 6098 2 154 . 1 1 33 33 GLU CB C 13 30.3 . . 1 . . . . . . . . 6098 2 155 . 1 1 34 34 LYS H H 1 8.21 . . 1 . . . . . . . . 6098 2 156 . 1 1 34 34 LYS N N 15 123.2 . . 1 . . . . . . . . 6098 2 157 . 1 1 34 34 LYS CA C 13 54 . . 1 . . . . . . . . 6098 2 158 . 1 1 34 34 LYS CB C 13 32.6 . . 1 . . . . . . . . 6098 2 159 . 1 1 35 35 PRO CA C 13 62.9 . . 1 . . . . . . . . 6098 2 160 . 1 1 35 35 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 2 161 . 1 1 35 35 PRO CB C 13 32.2 . . 1 . . . . . . . . 6098 2 162 . 1 1 36 36 VAL H H 1 8.14 . . 1 . . . . . . . . 6098 2 163 . 1 1 36 36 VAL N N 15 120.7 . . 1 . . . . . . . . 6098 2 164 . 1 1 36 36 VAL CA C 13 62.3 . . 1 . . . . . . . . 6098 2 165 . 1 1 36 36 VAL C C 13 176.1 . . 1 . . . . . . . . 6098 2 166 . 1 1 36 36 VAL CB C 13 32.9 . . 1 . . . . . . . . 6098 2 167 . 1 1 37 37 LYS H H 1 8.27 . . 1 . . . . . . . . 6098 2 168 . 1 1 37 37 LYS N N 15 125.2 . . 1 . . . . . . . . 6098 2 169 . 1 1 37 37 LYS CA C 13 56.2 . . 1 . . . . . . . . 6098 2 170 . 1 1 37 37 LYS C C 13 176.2 . . 1 . . . . . . . . 6098 2 171 . 1 1 37 37 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 2 172 . 1 1 38 38 LYS H H 1 8.27 . . 1 . . . . . . . . 6098 2 173 . 1 1 38 38 LYS N N 15 123.2 . . 1 . . . . . . . . 6098 2 174 . 1 1 38 38 LYS CA C 13 56.3 . . 1 . . . . . . . . 6098 2 175 . 1 1 38 38 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 2 176 . 1 1 38 38 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 2 177 . 1 1 39 39 GLN H H 1 8.33 . . 1 . . . . . . . . 6098 2 178 . 1 1 39 39 GLN N N 15 121.9 . . 1 . . . . . . . . 6098 2 179 . 1 1 39 39 GLN CA C 13 55.9 . . 1 . . . . . . . . 6098 2 180 . 1 1 39 39 GLN C C 13 175.8 . . 1 . . . . . . . . 6098 2 181 . 1 1 39 39 GLN CB C 13 29.7 . . 1 . . . . . . . . 6098 2 182 . 1 1 40 40 LYS H H 1 8.41 . . 1 . . . . . . . . 6098 2 183 . 1 1 40 40 LYS N N 15 123.1 . . 1 . . . . . . . . 6098 2 184 . 1 1 40 40 LYS CA C 13 56.3 . . 1 . . . . . . . . 6098 2 185 . 1 1 40 40 LYS C C 13 176.7 . . 1 . . . . . . . . 6098 2 186 . 1 1 40 40 LYS CB C 13 33 . . 1 . . . . . . . . 6098 2 187 . 1 1 41 41 THR H H 1 8.16 . . 1 . . . . . . . . 6098 2 188 . 1 1 41 41 THR N N 15 115.3 . . 1 . . . . . . . . 6098 2 189 . 1 1 41 41 THR CA C 13 62.2 . . 1 . . . . . . . . 6098 2 190 . 1 1 41 41 THR C C 13 175.1 . . 1 . . . . . . . . 6098 2 191 . 1 1 41 41 THR CB C 13 69.9 . . 1 . . . . . . . . 6098 2 192 . 1 1 42 42 GLY H H 1 8.41 . . 1 . . . . . . . . 6098 2 193 . 1 1 42 42 GLY N N 15 111.2 . . 1 . . . . . . . . 6098 2 194 . 1 1 42 42 GLY CA C 13 45.4 . . 1 . . . . . . . . 6098 2 195 . 1 1 42 42 GLY C C 13 174.1 . . 1 . . . . . . . . 6098 2 196 . 1 1 43 43 GLU H H 1 8.22 . . 1 . . . . . . . . 6098 2 197 . 1 1 43 43 GLU N N 15 120.7 . . 1 . . . . . . . . 6098 2 198 . 1 1 43 43 GLU CA C 13 56.5 . . 1 . . . . . . . . 6098 2 199 . 1 1 43 43 GLU C C 13 176.9 . . 1 . . . . . . . . 6098 2 200 . 1 1 43 43 GLU CB C 13 30.3 . . 1 . . . . . . . . 6098 2 201 . 1 1 44 44 THR H H 1 8.2 . . 1 . . . . . . . . 6098 2 202 . 1 1 44 44 THR N N 15 115 . . 1 . . . . . . . . 6098 2 203 . 1 1 44 44 THR CA C 13 62.2 . . 1 . . . . . . . . 6098 2 204 . 1 1 44 44 THR C C 13 174.7 . . 1 . . . . . . . . 6098 2 205 . 1 1 44 44 THR CB C 13 69.9 . . 1 . . . . . . . . 6098 2 206 . 1 1 45 45 SER H H 1 8.29 . . 1 . . . . . . . . 6098 2 207 . 1 1 45 45 SER N N 15 118.2 . . 1 . . . . . . . . 6098 2 208 . 1 1 45 45 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 2 209 . 1 1 45 45 SER C C 13 174.7 . . 1 . . . . . . . . 6098 2 210 . 1 1 45 45 SER CB C 13 63.8 . . 1 . . . . . . . . 6098 2 211 . 1 1 46 46 ARG H H 1 8.26 . . 1 . . . . . . . . 6098 2 212 . 1 1 46 46 ARG N N 15 123.1 . . 1 . . . . . . . . 6098 2 213 . 1 1 46 46 ARG CA C 13 56.3 . . 1 . . . . . . . . 6098 2 214 . 1 1 46 46 ARG C C 13 176.1 . . 1 . . . . . . . . 6098 2 215 . 1 1 46 46 ARG CB C 13 30.7 . . 1 . . . . . . . . 6098 2 216 . 1 1 47 47 ALA H H 1 8.17 . . 1 . . . . . . . . 6098 2 217 . 1 1 47 47 ALA N N 15 124.6 . . 1 . . . . . . . . 6098 2 218 . 1 1 47 47 ALA CA C 13 52.6 . . 1 . . . . . . . . 6098 2 219 . 1 1 47 47 ALA C C 13 177.8 . . 1 . . . . . . . . 6098 2 220 . 1 1 47 47 ALA CB C 13 19.2 . . 1 . . . . . . . . 6098 2 221 . 1 1 48 48 LEU H H 1 8.08 . . 1 . . . . . . . . 6098 2 222 . 1 1 48 48 LEU N N 15 121 . . 1 . . . . . . . . 6098 2 223 . 1 1 48 48 LEU CA C 13 55.1 . . 1 . . . . . . . . 6098 2 224 . 1 1 48 48 LEU C C 13 177.7 . . 1 . . . . . . . . 6098 2 225 . 1 1 48 48 LEU CB C 13 42.3 . . 1 . . . . . . . . 6098 2 226 . 1 1 49 49 SER H H 1 8.18 . . 1 . . . . . . . . 6098 2 227 . 1 1 49 49 SER N N 15 116.1 . . 1 . . . . . . . . 6098 2 228 . 1 1 49 49 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 2 229 . 1 1 49 49 SER C C 13 174.8 . . 1 . . . . . . . . 6098 2 230 . 1 1 49 49 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 231 . 1 1 50 50 SER H H 1 8.24 . . 1 . . . . . . . . 6098 2 232 . 1 1 50 50 SER N N 15 117.5 . . 1 . . . . . . . . 6098 2 233 . 1 1 50 50 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 2 234 . 1 1 50 50 SER C C 13 174.8 . . 1 . . . . . . . . 6098 2 235 . 1 1 50 50 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 236 . 1 1 51 51 SER H H 1 8.24 . . 1 . . . . . . . . 6098 2 237 . 1 1 51 51 SER N N 15 117.7 . . 1 . . . . . . . . 6098 2 238 . 1 1 51 51 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 2 239 . 1 1 51 51 SER C C 13 174.6 . . 1 . . . . . . . . 6098 2 240 . 1 1 51 51 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 2 241 . 1 1 52 52 LYS H H 1 8.19 . . 1 . . . . . . . . 6098 2 242 . 1 1 52 52 LYS N N 15 122.8 . . 1 . . . . . . . . 6098 2 243 . 1 1 52 52 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 2 244 . 1 1 52 52 LYS C C 13 176.6 . . 1 . . . . . . . . 6098 2 245 . 1 1 52 52 LYS CB C 13 32.9 . . 1 . . . . . . . . 6098 2 246 . 1 1 53 53 GLN H H 1 8.25 . . 1 . . . . . . . . 6098 2 247 . 1 1 53 53 GLN N N 15 121 . . 1 . . . . . . . . 6098 2 248 . 1 1 53 53 GLN CA C 13 56.1 . . 1 . . . . . . . . 6098 2 249 . 1 1 53 53 GLN C C 13 176 . . 1 . . . . . . . . 6098 2 250 . 1 1 53 53 GLN CB C 13 29.5 . . 1 . . . . . . . . 6098 2 251 . 1 1 54 54 SER H H 1 8.29 . . 1 . . . . . . . . 6098 2 252 . 1 1 54 54 SER N N 15 116.9 . . 1 . . . . . . . . 6098 2 253 . 1 1 54 54 SER CA C 13 58.3 . . 1 . . . . . . . . 6098 2 254 . 1 1 54 54 SER C C 13 174.6 . . 1 . . . . . . . . 6098 2 255 . 1 1 54 54 SER CB C 13 64 . . 1 . . . . . . . . 6098 2 256 . 1 1 55 55 SER H H 1 8.35 . . 5 . . . . . . . . 6098 2 257 . 1 1 55 55 SER N N 15 117.9 . . 5 . . . . . . . . 6098 2 258 . 1 1 55 55 SER CA C 13 58.3 . . 5 . . . . . . . . 6098 2 259 . 1 1 55 55 SER C C 13 174.6 . . 5 . . . . . . . . 6098 2 260 . 1 1 55 55 SER CB C 13 64 . . 5 . . . . . . . . 6098 2 261 . 1 1 56 56 SER H H 1 8.3 . . 5 . . . . . . . . 6098 2 262 . 1 1 56 56 SER N N 15 117.6 . . 5 . . . . . . . . 6098 2 263 . 1 1 56 56 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 2 264 . 1 1 56 56 SER C C 13 174.6 . . 5 . . . . . . . . 6098 2 265 . 1 1 56 56 SER CB C 13 63.9 . . 5 . . . . . . . . 6098 2 266 . 1 1 57 57 SER H H 1 8.26 . . 5 . . . . . . . . 6098 2 267 . 1 1 57 57 SER N N 15 117.8 . . 5 . . . . . . . . 6098 2 268 . 1 1 57 57 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 2 269 . 1 1 57 57 SER CB C 13 63.9 . . 5 . . . . . . . . 6098 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 44 6098 2 1 39 6098 2 1 34 6098 2 2 45 6098 2 2 40 6098 2 2 35 6098 2 3 46 6098 2 3 41 6098 2 3 36 6098 2 4 47 6098 2 4 42 6098 2 4 37 6098 2 5 48 6098 2 5 43 6098 2 5 38 6098 2 6 266 6098 2 6 261 6098 2 6 256 6098 2 7 267 6098 2 7 262 6098 2 7 257 6098 2 8 268 6098 2 8 263 6098 2 8 258 6098 2 9 264 6098 2 9 259 6098 2 10 269 6098 2 10 265 6098 2 10 260 6098 2 stop_ save_ save_chemical_shift_PC4_P _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_PC4_P _Assigned_chem_shift_list.Entry_ID 6098 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $condition_PC4_P _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; _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 . . 3 $sample_PC4_P . 6098 3 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 LYS CA C 13 56.7 . . 1 . . . . . . . . 6098 3 2 . 1 1 2 2 LYS C C 13 176.4 . . 1 . . . . . . . . 6098 3 3 . 1 1 2 2 LYS CB C 13 33.2 . . 1 . . . . . . . . 6098 3 4 . 1 1 3 3 SER H H 1 8.39 . . 1 . . . . . . . . 6098 3 5 . 1 1 3 3 SER N N 15 117.6 . . 1 . . . . . . . . 6098 3 6 . 1 1 3 3 SER CA C 13 58.3 . . 1 . . . . . . . . 6098 3 7 . 1 1 3 3 SER C C 13 174.6 . . 1 . . . . . . . . 6098 3 8 . 1 1 3 3 SER CB C 13 64 . . 1 . . . . . . . . 6098 3 9 . 1 1 4 4 LYS H H 1 8.35 . . 1 . . . . . . . . 6098 3 10 . 1 1 4 4 LYS N N 15 123.3 . . 1 . . . . . . . . 6098 3 11 . 1 1 4 4 LYS CA C 13 56.6 . . 1 . . . . . . . . 6098 3 12 . 1 1 4 4 LYS C C 13 176.4 . . 1 . . . . . . . . 6098 3 13 . 1 1 4 4 LYS CB C 13 33 . . 1 . . . . . . . . 6098 3 14 . 1 1 5 5 GLU H H 1 8.31 . . 1 . . . . . . . . 6098 3 15 . 1 1 5 5 GLU N N 15 121.1 . . 1 . . . . . . . . 6098 3 16 . 1 1 5 5 GLU CA C 13 56.5 . . 1 . . . . . . . . 6098 3 17 . 1 1 5 5 GLU C C 13 176.1 . . 1 . . . . . . . . 6098 3 18 . 1 1 5 5 GLU CB C 13 30.1 . . 1 . . . . . . . . 6098 3 19 . 1 1 6 6 LEU H H 1 8.07 . . 1 . . . . . . . . 6098 3 20 . 1 1 6 6 LEU N N 15 122.4 . . 1 . . . . . . . . 6098 3 21 . 1 1 6 6 LEU CA C 13 55 . . 1 . . . . . . . . 6098 3 22 . 1 1 6 6 LEU C C 13 176.8 . . 1 . . . . . . . . 6098 3 23 . 1 1 6 6 LEU CB C 13 42.3 . . 1 . . . . . . . . 6098 3 24 . 1 1 7 7 VAL H H 1 7.96 . . 1 . . . . . . . . 6098 3 25 . 1 1 7 7 VAL N N 15 120.4 . . 1 . . . . . . . . 6098 3 26 . 1 1 7 7 VAL CA C 13 61.8 . . 1 . . . . . . . . 6098 3 27 . 1 1 7 7 VAL C C 13 175.9 . . 1 . . . . . . . . 6098 3 28 . 1 1 7 7 VAL CB C 13 33.3 . . 1 . . . . . . . . 6098 3 29 . 1 1 8 8 SER H H 1 8.64 . . 1 . . . . . . . . 6098 3 30 . 1 1 8 8 SER N N 15 119.7 . . 1 . . . . . . . . 6098 3 31 . 1 1 8 8 SER CA C 13 57 . . 1 . . . . . . . . 6098 3 32 . 1 1 8 8 SER C C 13 173.8 . . 1 . . . . . . . . 6098 3 33 . 1 1 8 8 SER CB C 13 66.8 . . 1 . . . . . . . . 6098 3 34 . 1 1 9 9 SER H H 1 8.55 . . 5 . . . . . . . . 6098 3 35 . 1 1 9 9 SER N N 15 117.3 . . 5 . . . . . . . . 6098 3 36 . 1 1 9 9 SER CA C 13 57.1 . . 5 . . . . . . . . 6098 3 37 . 1 1 9 9 SER C C 13 173.8 . . 5 . . . . . . . . 6098 3 38 . 1 1 9 9 SER CB C 13 66.8 . . 5 . . . . . . . . 6098 3 39 . 1 1 10 10 SER H H 1 8.59 . . 5 . . . . . . . . 6098 3 40 . 1 1 10 10 SER N N 15 117.6 . . 5 . . . . . . . . 6098 3 41 . 1 1 10 10 SER CA C 13 57.1 . . 5 . . . . . . . . 6098 3 42 . 1 1 10 10 SER C C 13 173.8 . . 5 . . . . . . . . 6098 3 43 . 1 1 10 10 SER CB C 13 66.8 . . 5 . . . . . . . . 6098 3 44 . 1 1 11 11 SER H H 1 8.58 . . 5 . . . . . . . . 6098 3 45 . 1 1 11 11 SER N N 15 117.7 . . 5 . . . . . . . . 6098 3 46 . 1 1 11 11 SER CA C 13 57.3 . . 5 . . . . . . . . 6098 3 47 . 1 1 11 11 SER C C 13 174 . . 5 . . . . . . . . 6098 3 48 . 1 1 11 11 SER CB C 13 66.8 . . 5 . . . . . . . . 6098 3 49 . 1 1 12 12 SER H H 1 8.7 . . 1 . . . . . . . . 6098 3 50 . 1 1 12 12 SER N N 15 117.9 . . 1 . . . . . . . . 6098 3 51 . 1 1 12 12 SER CA C 13 57.6 . . 1 . . . . . . . . 6098 3 52 . 1 1 12 12 SER C C 13 174.4 . . 1 . . . . . . . . 6098 3 53 . 1 1 12 12 SER CB C 13 66.8 . . 1 . . . . . . . . 6098 3 54 . 1 1 13 13 GLY H H 1 8.31 . . 1 . . . . . . . . 6098 3 55 . 1 1 13 13 GLY N N 15 110.7 . . 1 . . . . . . . . 6098 3 56 . 1 1 13 13 GLY CA C 13 45.5 . . 1 . . . . . . . . 6098 3 57 . 1 1 13 13 GLY C C 13 174 . . 1 . . . . . . . . 6098 3 58 . 1 1 14 14 SER H H 1 8.45 . . 1 . . . . . . . . 6098 3 59 . 1 1 14 14 SER N N 15 115.4 . . 1 . . . . . . . . 6098 3 60 . 1 1 14 14 SER CA C 13 56.9 . . 1 . . . . . . . . 6098 3 61 . 1 1 14 14 SER C C 13 173.7 . . 1 . . . . . . . . 6098 3 62 . 1 1 14 14 SER CB C 13 66.9 . . 1 . . . . . . . . 6098 3 63 . 1 1 15 15 ASP H H 1 8.47 . . 1 . . . . . . . . 6098 3 64 . 1 1 15 15 ASP N N 15 122.4 . . 1 . . . . . . . . 6098 3 65 . 1 1 15 15 ASP CA C 13 54.3 . . 1 . . . . . . . . 6098 3 66 . 1 1 15 15 ASP C C 13 176.1 . . 1 . . . . . . . . 6098 3 67 . 1 1 15 15 ASP CB C 13 41.3 . . 1 . . . . . . . . 6098 3 68 . 1 1 16 16 SER H H 1 8.52 . . 1 . . . . . . . . 6098 3 69 . 1 1 16 16 SER N N 15 116.4 . . 1 . . . . . . . . 6098 3 70 . 1 1 16 16 SER CA C 13 57.3 . . 1 . . . . . . . . 6098 3 71 . 1 1 16 16 SER C C 13 173.8 . . 1 . . . . . . . . 6098 3 72 . 1 1 16 16 SER CB C 13 66.7 . . 1 . . . . . . . . 6098 3 73 . 1 1 17 17 ASP H H 1 8.39 . . 1 . . . . . . . . 6098 3 74 . 1 1 17 17 ASP N N 15 122.6 . . 1 . . . . . . . . 6098 3 75 . 1 1 17 17 ASP CA C 13 54.6 . . 1 . . . . . . . . 6098 3 76 . 1 1 17 17 ASP C C 13 176.4 . . 1 . . . . . . . . 6098 3 77 . 1 1 17 17 ASP CB C 13 41.3 . . 1 . . . . . . . . 6098 3 78 . 1 1 18 18 SER H H 1 8.59 . . 1 . . . . . . . . 6098 3 79 . 1 1 18 18 SER N N 15 116.8 . . 1 . . . . . . . . 6098 3 80 . 1 1 18 18 SER CA C 13 58.1 . . 1 . . . . . . . . 6098 3 81 . 1 1 18 18 SER C C 13 174.5 . . 1 . . . . . . . . 6098 3 82 . 1 1 18 18 SER CB C 13 66.4 . . 1 . . . . . . . . 6098 3 83 . 1 1 19 19 GLU H H 1 8.32 . . 1 . . . . . . . . 6098 3 84 . 1 1 19 19 GLU N N 15 121.9 . . 1 . . . . . . . . 6098 3 85 . 1 1 19 19 GLU CA C 13 56.7 . . 1 . . . . . . . . 6098 3 86 . 1 1 19 19 GLU C C 13 176.9 . . 1 . . . . . . . . 6098 3 87 . 1 1 19 19 GLU CB C 13 29.8 . . 1 . . . . . . . . 6098 3 88 . 1 1 20 20 VAL H H 1 7.85 . . 1 . . . . . . . . 6098 3 89 . 1 1 20 20 VAL N N 15 120.2 . . 1 . . . . . . . . 6098 3 90 . 1 1 20 20 VAL CA C 13 63.6 . . 1 . . . . . . . . 6098 3 91 . 1 1 20 20 VAL C C 13 176.3 . . 1 . . . . . . . . 6098 3 92 . 1 1 20 20 VAL CB C 13 32.6 . . 1 . . . . . . . . 6098 3 93 . 1 1 21 21 ASP H H 1 8.25 . . 1 . . . . . . . . 6098 3 94 . 1 1 21 21 ASP N N 15 122 . . 1 . . . . . . . . 6098 3 95 . 1 1 21 21 ASP CA C 13 55 . . 1 . . . . . . . . 6098 3 96 . 1 1 21 21 ASP C C 13 176.9 . . 1 . . . . . . . . 6098 3 97 . 1 1 21 21 ASP CB C 13 41 . . 1 . . . . . . . . 6098 3 98 . 1 1 22 22 LYS H H 1 8.06 . . 1 . . . . . . . . 6098 3 99 . 1 1 22 22 LYS N N 15 121.2 . . 1 . . . . . . . . 6098 3 100 . 1 1 22 22 LYS CA C 13 57.8 . . 1 . . . . . . . . 6098 3 101 . 1 1 22 22 LYS C C 13 177.5 . . 1 . . . . . . . . 6098 3 102 . 1 1 22 22 LYS CB C 13 32.8 . . 1 . . . . . . . . 6098 3 103 . 1 1 23 23 LYS H H 1 8.11 . . 1 . . . . . . . . 6098 3 104 . 1 1 23 23 LYS N N 15 120 . . 1 . . . . . . . . 6098 3 105 . 1 1 23 23 LYS CA C 13 57.6 . . 1 . . . . . . . . 6098 3 106 . 1 1 23 23 LYS C C 13 177.3 . . 1 . . . . . . . . 6098 3 107 . 1 1 23 23 LYS CB C 13 32.6 . . 1 . . . . . . . . 6098 3 108 . 1 1 24 24 LEU H H 1 7.89 . . 1 . . . . . . . . 6098 3 109 . 1 1 24 24 LEU N N 15 120.9 . . 1 . . . . . . . . 6098 3 110 . 1 1 24 24 LEU CA C 13 55.6 . . 1 . . . . . . . . 6098 3 111 . 1 1 24 24 LEU C C 13 177.7 . . 1 . . . . . . . . 6098 3 112 . 1 1 24 24 LEU CB C 13 42.2 . . 1 . . . . . . . . 6098 3 113 . 1 1 25 25 LYS H H 1 8 . . 1 . . . . . . . . 6098 3 114 . 1 1 25 25 LYS N N 15 120.8 . . 1 . . . . . . . . 6098 3 115 . 1 1 25 25 LYS CA C 13 56.7 . . 1 . . . . . . . . 6098 3 116 . 1 1 25 25 LYS C C 13 176.8 . . 1 . . . . . . . . 6098 3 117 . 1 1 25 25 LYS CB C 13 32.8 . . 1 . . . . . . . . 6098 3 118 . 1 1 26 26 ARG H H 1 8.02 . . 1 . . . . . . . . 6098 3 119 . 1 1 26 26 ARG N N 15 120.9 . . 1 . . . . . . . . 6098 3 120 . 1 1 26 26 ARG CA C 13 56.3 . . 1 . . . . . . . . 6098 3 121 . 1 1 26 26 ARG C C 13 176.4 . . 1 . . . . . . . . 6098 3 122 . 1 1 26 26 ARG CB C 13 30.9 . . 1 . . . . . . . . 6098 3 123 . 1 1 27 27 LYS H H 1 8.14 . . 1 . . . . . . . . 6098 3 124 . 1 1 27 27 LYS N N 15 122 . . 1 . . . . . . . . 6098 3 125 . 1 1 27 27 LYS CA C 13 56.5 . . 1 . . . . . . . . 6098 3 126 . 1 1 27 27 LYS C C 13 176.5 . . 1 . . . . . . . . 6098 3 127 . 1 1 27 27 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 3 128 . 1 1 28 28 LYS H H 1 8.17 . . 1 . . . . . . . . 6098 3 129 . 1 1 28 28 LYS N N 15 122.1 . . 1 . . . . . . . . 6098 3 130 . 1 1 28 28 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 3 131 . 1 1 28 28 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 3 132 . 1 1 28 28 LYS CB C 13 33.1 . . 1 . . . . . . . . 6098 3 133 . 1 1 29 29 GLN H H 1 8.27 . . 1 . . . . . . . . 6098 3 134 . 1 1 29 29 GLN N N 15 121.9 . . 1 . . . . . . . . 6098 3 135 . 1 1 29 29 GLN CA C 13 55.7 . . 1 . . . . . . . . 6098 3 136 . 1 1 29 29 GLN C C 13 175.6 . . 1 . . . . . . . . 6098 3 137 . 1 1 29 29 GLN CB C 13 29.6 . . 1 . . . . . . . . 6098 3 138 . 1 1 30 30 VAL H H 1 8.08 . . 1 . . . . . . . . 6098 3 139 . 1 1 30 30 VAL N N 15 121.5 . . 1 . . . . . . . . 6098 3 140 . 1 1 30 30 VAL CA C 13 62 . . 1 . . . . . . . . 6098 3 141 . 1 1 30 30 VAL C C 13 175.3 . . 1 . . . . . . . . 6098 3 142 . 1 1 30 30 VAL CB C 13 32.9 . . 1 . . . . . . . . 6098 3 143 . 1 1 31 31 ALA H H 1 8.28 . . 1 . . . . . . . . 6098 3 144 . 1 1 31 31 ALA N N 15 128.8 . . 1 . . . . . . . . 6098 3 145 . 1 1 31 31 ALA CA C 13 50.4 . . 1 . . . . . . . . 6098 3 146 . 1 1 31 31 ALA CB C 13 18.6 . . 1 . . . . . . . . 6098 3 147 . 1 1 32 32 PRO CA C 13 62.8 . . 1 . . . . . . . . 6098 3 148 . 1 1 32 32 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 3 149 . 1 1 32 32 PRO CB C 13 32.2 . . 1 . . . . . . . . 6098 3 150 . 1 1 33 33 GLU H H 1 8.37 . . 1 . . . . . . . . 6098 3 151 . 1 1 33 33 GLU N N 15 121 . . 1 . . . . . . . . 6098 3 152 . 1 1 33 33 GLU CA C 13 56.5 . . 1 . . . . . . . . 6098 3 153 . 1 1 33 33 GLU C C 13 176.2 . . 1 . . . . . . . . 6098 3 154 . 1 1 33 33 GLU CB C 13 30.3 . . 1 . . . . . . . . 6098 3 155 . 1 1 34 34 LYS H H 1 8.2 . . 1 . . . . . . . . 6098 3 156 . 1 1 34 34 LYS N N 15 123.2 . . 1 . . . . . . . . 6098 3 157 . 1 1 34 34 LYS CA C 13 54 . . 1 . . . . . . . . 6098 3 158 . 1 1 34 34 LYS CB C 13 32.7 . . 1 . . . . . . . . 6098 3 159 . 1 1 35 35 PRO CA C 13 62.8 . . 1 . . . . . . . . 6098 3 160 . 1 1 35 35 PRO C C 13 176.8 . . 1 . . . . . . . . 6098 3 161 . 1 1 35 35 PRO CB C 13 32.3 . . 1 . . . . . . . . 6098 3 162 . 1 1 36 36 VAL H H 1 8.14 . . 1 . . . . . . . . 6098 3 163 . 1 1 36 36 VAL N N 15 120.7 . . 1 . . . . . . . . 6098 3 164 . 1 1 36 36 VAL CA C 13 62.4 . . 1 . . . . . . . . 6098 3 165 . 1 1 36 36 VAL C C 13 176.1 . . 1 . . . . . . . . 6098 3 166 . 1 1 36 36 VAL CB C 13 32.9 . . 1 . . . . . . . . 6098 3 167 . 1 1 37 37 LYS H H 1 8.28 . . 1 . . . . . . . . 6098 3 168 . 1 1 37 37 LYS N N 15 125.3 . . 1 . . . . . . . . 6098 3 169 . 1 1 37 37 LYS CA C 13 56.3 . . 1 . . . . . . . . 6098 3 170 . 1 1 37 37 LYS C C 13 176.2 . . 1 . . . . . . . . 6098 3 171 . 1 1 37 37 LYS CB C 13 33.3 . . 1 . . . . . . . . 6098 3 172 . 1 1 38 38 LYS H H 1 8.27 . . 1 . . . . . . . . 6098 3 173 . 1 1 38 38 LYS N N 15 123.2 . . 1 . . . . . . . . 6098 3 174 . 1 1 38 38 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 3 175 . 1 1 38 38 LYS C C 13 176.3 . . 1 . . . . . . . . 6098 3 176 . 1 1 38 38 LYS CB C 13 33.2 . . 1 . . . . . . . . 6098 3 177 . 1 1 39 39 GLN H H 1 8.34 . . 1 . . . . . . . . 6098 3 178 . 1 1 39 39 GLN N N 15 122 . . 1 . . . . . . . . 6098 3 179 . 1 1 39 39 GLN CA C 13 55.9 . . 1 . . . . . . . . 6098 3 180 . 1 1 39 39 GLN C C 13 175.8 . . 1 . . . . . . . . 6098 3 181 . 1 1 39 39 GLN CB C 13 29.8 . . 1 . . . . . . . . 6098 3 182 . 1 1 40 40 LYS H H 1 8.42 . . 1 . . . . . . . . 6098 3 183 . 1 1 40 40 LYS N N 15 123.2 . . 1 . . . . . . . . 6098 3 184 . 1 1 40 40 LYS CA C 13 56.4 . . 1 . . . . . . . . 6098 3 185 . 1 1 40 40 LYS C C 13 176.7 . . 1 . . . . . . . . 6098 3 186 . 1 1 40 40 LYS CB C 13 33 . . 1 . . . . . . . . 6098 3 187 . 1 1 41 41 THR H H 1 8.16 . . 1 . . . . . . . . 6098 3 188 . 1 1 41 41 THR N N 15 115.3 . . 1 . . . . . . . . 6098 3 189 . 1 1 41 41 THR CA C 13 62.1 . . 1 . . . . . . . . 6098 3 190 . 1 1 41 41 THR C C 13 175.1 . . 1 . . . . . . . . 6098 3 191 . 1 1 41 41 THR CB C 13 70 . . 1 . . . . . . . . 6098 3 192 . 1 1 42 42 GLY H H 1 8.41 . . 1 . . . . . . . . 6098 3 193 . 1 1 42 42 GLY N N 15 111.2 . . 1 . . . . . . . . 6098 3 194 . 1 1 42 42 GLY CA C 13 45.4 . . 1 . . . . . . . . 6098 3 195 . 1 1 42 42 GLY C C 13 174.1 . . 1 . . . . . . . . 6098 3 196 . 1 1 43 43 GLU H H 1 8.22 . . 1 . . . . . . . . 6098 3 197 . 1 1 43 43 GLU N N 15 120.7 . . 1 . . . . . . . . 6098 3 198 . 1 1 43 43 GLU CA C 13 56.5 . . 1 . . . . . . . . 6098 3 199 . 1 1 43 43 GLU C C 13 176.8 . . 1 . . . . . . . . 6098 3 200 . 1 1 43 43 GLU CB C 13 30.4 . . 1 . . . . . . . . 6098 3 201 . 1 1 44 44 THR H H 1 8.2 . . 1 . . . . . . . . 6098 3 202 . 1 1 44 44 THR N N 15 115.1 . . 1 . . . . . . . . 6098 3 203 . 1 1 44 44 THR CA C 13 62.1 . . 1 . . . . . . . . 6098 3 204 . 1 1 44 44 THR C C 13 174.7 . . 1 . . . . . . . . 6098 3 205 . 1 1 44 44 THR CB C 13 69.9 . . 1 . . . . . . . . 6098 3 206 . 1 1 45 45 SER H H 1 8.29 . . 1 . . . . . . . . 6098 3 207 . 1 1 45 45 SER N N 15 118.2 . . 1 . . . . . . . . 6098 3 208 . 1 1 45 45 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 3 209 . 1 1 45 45 SER C C 13 174.7 . . 1 . . . . . . . . 6098 3 210 . 1 1 45 45 SER CB C 13 63.8 . . 1 . . . . . . . . 6098 3 211 . 1 1 46 46 ARG H H 1 8.26 . . 1 . . . . . . . . 6098 3 212 . 1 1 46 46 ARG N N 15 123.1 . . 1 . . . . . . . . 6098 3 213 . 1 1 46 46 ARG CA C 13 56.4 . . 1 . . . . . . . . 6098 3 214 . 1 1 46 46 ARG C C 13 176.1 . . 1 . . . . . . . . 6098 3 215 . 1 1 46 46 ARG CB C 13 30.8 . . 1 . . . . . . . . 6098 3 216 . 1 1 47 47 ALA H H 1 8.18 . . 1 . . . . . . . . 6098 3 217 . 1 1 47 47 ALA N N 15 124.6 . . 1 . . . . . . . . 6098 3 218 . 1 1 47 47 ALA CA C 13 52.6 . . 1 . . . . . . . . 6098 3 219 . 1 1 47 47 ALA C C 13 177.8 . . 1 . . . . . . . . 6098 3 220 . 1 1 47 47 ALA CB C 13 19.2 . . 1 . . . . . . . . 6098 3 221 . 1 1 48 48 LEU H H 1 8.08 . . 1 . . . . . . . . 6098 3 222 . 1 1 48 48 LEU N N 15 121.1 . . 1 . . . . . . . . 6098 3 223 . 1 1 48 48 LEU CA C 13 55.1 . . 1 . . . . . . . . 6098 3 224 . 1 1 48 48 LEU C C 13 177.7 . . 1 . . . . . . . . 6098 3 225 . 1 1 48 48 LEU CB C 13 42.4 . . 1 . . . . . . . . 6098 3 226 . 1 1 49 49 SER H H 1 8.18 . . 1 . . . . . . . . 6098 3 227 . 1 1 49 49 SER N N 15 116.1 . . 1 . . . . . . . . 6098 3 228 . 1 1 49 49 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 3 229 . 1 1 49 49 SER C C 13 174.7 . . 1 . . . . . . . . 6098 3 230 . 1 1 49 49 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 3 231 . 1 1 50 50 SER H H 1 8.24 . . 1 . . . . . . . . 6098 3 232 . 1 1 50 50 SER N N 15 117.5 . . 1 . . . . . . . . 6098 3 233 . 1 1 50 50 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 3 234 . 1 1 50 50 SER C C 13 174.8 . . 1 . . . . . . . . 6098 3 235 . 1 1 50 50 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 3 236 . 1 1 51 51 SER H H 1 8.25 . . 1 . . . . . . . . 6098 3 237 . 1 1 51 51 SER N N 15 117.7 . . 1 . . . . . . . . 6098 3 238 . 1 1 51 51 SER CA C 13 58.5 . . 1 . . . . . . . . 6098 3 239 . 1 1 51 51 SER C C 13 174.5 . . 1 . . . . . . . . 6098 3 240 . 1 1 51 51 SER CB C 13 63.9 . . 1 . . . . . . . . 6098 3 241 . 1 1 52 52 LYS H H 1 8.2 . . 1 . . . . . . . . 6098 3 242 . 1 1 52 52 LYS N N 15 122.7 . . 1 . . . . . . . . 6098 3 243 . 1 1 52 52 LYS CA C 13 56.5 . . 1 . . . . . . . . 6098 3 244 . 1 1 52 52 LYS C C 13 176.6 . . 1 . . . . . . . . 6098 3 245 . 1 1 52 52 LYS CB C 13 32.9 . . 1 . . . . . . . . 6098 3 246 . 1 1 53 53 GLN H H 1 8.26 . . 1 . . . . . . . . 6098 3 247 . 1 1 53 53 GLN N N 15 121 . . 1 . . . . . . . . 6098 3 248 . 1 1 53 53 GLN CA C 13 56.1 . . 1 . . . . . . . . 6098 3 249 . 1 1 53 53 GLN C C 13 176 . . 1 . . . . . . . . 6098 3 250 . 1 1 53 53 GLN CB C 13 29.6 . . 1 . . . . . . . . 6098 3 251 . 1 1 54 54 SER H H 1 8.29 . . 1 . . . . . . . . 6098 3 252 . 1 1 54 54 SER N N 15 117 . . 1 . . . . . . . . 6098 3 253 . 1 1 54 54 SER CA C 13 58.3 . . 1 . . . . . . . . 6098 3 254 . 1 1 54 54 SER C C 13 174.6 . . 1 . . . . . . . . 6098 3 255 . 1 1 54 54 SER CB C 13 64 . . 1 . . . . . . . . 6098 3 256 . 1 1 55 55 SER H H 1 8.36 . . 5 . . . . . . . . 6098 3 257 . 1 1 55 55 SER N N 15 117.9 . . 5 . . . . . . . . 6098 3 258 . 1 1 55 55 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 3 259 . 1 1 55 55 SER C C 13 174.6 . . 5 . . . . . . . . 6098 3 260 . 1 1 55 55 SER CB C 13 64 . . 5 . . . . . . . . 6098 3 261 . 1 1 56 56 SER H H 1 8.3 . . 5 . . . . . . . . 6098 3 262 . 1 1 56 56 SER N N 15 117.7 . . 5 . . . . . . . . 6098 3 263 . 1 1 56 56 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 3 264 . 1 1 56 56 SER C C 13 174.5 . . 5 . . . . . . . . 6098 3 265 . 1 1 56 56 SER CB C 13 64 . . 5 . . . . . . . . 6098 3 266 . 1 1 57 57 SER H H 1 8.27 . . 5 . . . . . . . . 6098 3 267 . 1 1 57 57 SER N N 15 117.9 . . 5 . . . . . . . . 6098 3 268 . 1 1 57 57 SER CA C 13 58.4 . . 5 . . . . . . . . 6098 3 269 . 1 1 57 57 SER CB C 13 64 . . 5 . . . . . . . . 6098 3 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 44 6098 3 1 39 6098 3 1 34 6098 3 2 45 6098 3 2 40 6098 3 2 35 6098 3 3 46 6098 3 3 41 6098 3 3 36 6098 3 4 47 6098 3 4 42 6098 3 4 37 6098 3 5 48 6098 3 5 43 6098 3 5 38 6098 3 6 266 6098 3 6 261 6098 3 6 256 6098 3 7 267 6098 3 7 262 6098 3 7 257 6098 3 8 268 6098 3 8 263 6098 3 8 258 6098 3 9 264 6098 3 9 259 6098 3 10 269 6098 3 10 265 6098 3 10 260 6098 3 stop_ save_