data_16843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16843 _Entry.Title ; Seeing the Invisible: Structures of Excited Protein States by Relaxation Dispersion NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-06 _Entry.Accession_date 2010-04-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pramodh Vallurupalli . . . 16843 2 Flemming Hansen . D. . 16843 3 Lewis Kay . E. . 16843 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16843 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Abp1p . 16843 Ark1p . 16843 CPMG . 16843 'Invisible State' . 16843 NMR . 16843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 99 16843 '15N chemical shifts' 57 16843 '1H chemical shifts' 56 16843 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-16 2010-04-06 update BMRB 'update entry citation' 16843 1 . . 2012-08-03 2010-04-06 original author 'original release' 16843 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3B 'BMRB Entry Tracking System' 16843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16843 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24805164 _Citation.Full_citation . _Citation.Title 'Probing the Free Energy Landscape of the Fast-Folding gpW Protein by Relaxation Dispersion NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _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 . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Celia Sanchez-Medina . . . 16843 1 2 Ashok Sekhar . . . 16843 1 3 Pramodh Vallurupalli . . . 16843 1 4 Michele Cerminara . . . 16843 1 5 Victor Munoz . . . 16843 1 6 Lewis Kay . E. . 16843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16843 _Assembly.ID 1 _Assembly.Name Abp1p _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Abp1p 1 $Abp1p A . yes native no no . . . 16843 1 2 Ark1p 2 $Ark1p B . no native no no . . . 16843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Abp1p _Entity.Sf_category entity _Entity.Sf_framecode Abp1p _Entity.Entry_ID 16843 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Abp1p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAPWATAEYDYDAAEDNE LTFVENDKIINIEFVDDDWW LGELEKDGSKGLFPSNYVSL GN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Starting Residues GAM are not numbered and not used.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18054 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 2 no BMRB 18055 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 3 no BMRB 18056 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 4 no BMRB 18057 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 5 no BMRB 18058 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 6 no BMRB 18059 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 7 no BMRB 18060 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 8 no BMRB 18061 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 9 no BMRB 18062 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 10 no BMRB 18063 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 11 no BMRB 18064 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 12 no BMRB 18065 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 13 no BMRB 18066 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 14 no BMRB 18067 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 15 no BMRB 18068 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 16 no BMRB 18069 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 17 no BMRB 18070 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 18 no BMRB 18071 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 19 no BMRB 18072 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 20 no BMRB 18073 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 21 no BMRB 18074 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 22 no BMRB 18075 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 23 no BMRB 18076 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 24 no BMRB 18077 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 25 no BMRB 18078 . AbpSH3 . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 26 no BMRB 25354 . Abp1p_SH3 . . . . . 100.00 62 100.00 100.00 2.69e-35 . . . . 16843 1 27 no BMRB 26519 . Abp1p . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 28 no PDB 1JO8 . "Structural Analysis Of The Yeast Actin Binding Protein Abp1 Sh3 Domain" . . . . . 93.55 58 100.00 100.00 3.35e-32 . . . . 16843 1 29 no PDB 2K3B . "Seeing The Invisible: Structures Of Excited Protein States By Relaxation Dispersion Nmr" . . . . . 100.00 62 100.00 100.00 2.69e-35 . . . . 16843 1 30 no PDB 2RPN . "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" . . . . . 95.16 59 100.00 100.00 6.37e-33 . . . . 16843 1 31 no DBJ GAA21988 . "K7_Abp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.55 592 100.00 100.00 5.27e-32 . . . . 16843 1 32 no EMBL CAA36075 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 93.55 592 100.00 100.00 5.84e-32 . . . . 16843 1 33 no EMBL CAA42253 . "actin-binding protein [Saccharomyces cerevisiae]" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 1 34 no EMBL CAY78291 . "Abp1p [Saccharomyces cerevisiae EC1118]" . . . . . 93.55 592 100.00 100.00 5.55e-32 . . . . 16843 1 35 no GB AHN96147 . "ABP1 [synthetic construct]" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 1 36 no GB AHV79349 . "ABP1 [synthetic construct]" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 1 37 no GB AHY79755 . "Abp1p [Saccharomyces cerevisiae YJM993]" . . . . . 93.55 592 100.00 100.00 5.44e-32 . . . . 16843 1 38 no GB AJP37506 . "Abp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 93.55 592 100.00 100.00 5.44e-32 . . . . 16843 1 39 no GB AJQ31991 . "Abp1p [Saccharomyces cerevisiae YJM1356]" . . . . . 93.55 592 100.00 100.00 5.49e-32 . . . . 16843 1 40 no PRF 1603360A . "actin binding protein" . . . . . 93.55 592 100.00 100.00 5.84e-32 . . . . 16843 1 41 no REF NP_010012 . "Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 1 42 no SP P15891 . "RecName: Full=Actin-binding protein" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 1 43 no TPG DAA07557 . "TPA: Abp1p [Saccharomyces cerevisiae S288c]" . . . . . 93.55 592 100.00 100.00 6.02e-32 . . . . 16843 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 -2 GLY . 16843 1 2 -1 ALA . 16843 1 3 0 MET . 16843 1 4 1 ALA . 16843 1 5 2 PRO . 16843 1 6 3 TRP . 16843 1 7 4 ALA . 16843 1 8 5 THR . 16843 1 9 6 ALA . 16843 1 10 7 GLU . 16843 1 11 8 TYR . 16843 1 12 9 ASP . 16843 1 13 10 TYR . 16843 1 14 11 ASP . 16843 1 15 12 ALA . 16843 1 16 13 ALA . 16843 1 17 14 GLU . 16843 1 18 15 ASP . 16843 1 19 16 ASN . 16843 1 20 17 GLU . 16843 1 21 18 LEU . 16843 1 22 19 THR . 16843 1 23 20 PHE . 16843 1 24 21 VAL . 16843 1 25 22 GLU . 16843 1 26 23 ASN . 16843 1 27 24 ASP . 16843 1 28 25 LYS . 16843 1 29 26 ILE . 16843 1 30 27 ILE . 16843 1 31 28 ASN . 16843 1 32 29 ILE . 16843 1 33 30 GLU . 16843 1 34 31 PHE . 16843 1 35 32 VAL . 16843 1 36 33 ASP . 16843 1 37 34 ASP . 16843 1 38 35 ASP . 16843 1 39 36 TRP . 16843 1 40 37 TRP . 16843 1 41 38 LEU . 16843 1 42 39 GLY . 16843 1 43 40 GLU . 16843 1 44 41 LEU . 16843 1 45 42 GLU . 16843 1 46 43 LYS . 16843 1 47 44 ASP . 16843 1 48 45 GLY . 16843 1 49 46 SER . 16843 1 50 47 LYS . 16843 1 51 48 GLY . 16843 1 52 49 LEU . 16843 1 53 50 PHE . 16843 1 54 51 PRO . 16843 1 55 52 SER . 16843 1 56 53 ASN . 16843 1 57 54 TYR . 16843 1 58 55 VAL . 16843 1 59 56 SER . 16843 1 60 57 LEU . 16843 1 61 58 GLY . 16843 1 62 59 ASN . 16843 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16843 1 . ALA 2 2 16843 1 . MET 3 3 16843 1 . ALA 4 4 16843 1 . PRO 5 5 16843 1 . TRP 6 6 16843 1 . ALA 7 7 16843 1 . THR 8 8 16843 1 . ALA 9 9 16843 1 . GLU 10 10 16843 1 . TYR 11 11 16843 1 . ASP 12 12 16843 1 . TYR 13 13 16843 1 . ASP 14 14 16843 1 . ALA 15 15 16843 1 . ALA 16 16 16843 1 . GLU 17 17 16843 1 . ASP 18 18 16843 1 . ASN 19 19 16843 1 . GLU 20 20 16843 1 . LEU 21 21 16843 1 . THR 22 22 16843 1 . PHE 23 23 16843 1 . VAL 24 24 16843 1 . GLU 25 25 16843 1 . ASN 26 26 16843 1 . ASP 27 27 16843 1 . LYS 28 28 16843 1 . ILE 29 29 16843 1 . ILE 30 30 16843 1 . ASN 31 31 16843 1 . ILE 32 32 16843 1 . GLU 33 33 16843 1 . PHE 34 34 16843 1 . VAL 35 35 16843 1 . ASP 36 36 16843 1 . ASP 37 37 16843 1 . ASP 38 38 16843 1 . TRP 39 39 16843 1 . TRP 40 40 16843 1 . LEU 41 41 16843 1 . GLY 42 42 16843 1 . GLU 43 43 16843 1 . LEU 44 44 16843 1 . GLU 45 45 16843 1 . LYS 46 46 16843 1 . ASP 47 47 16843 1 . GLY 48 48 16843 1 . SER 49 49 16843 1 . LYS 50 50 16843 1 . GLY 51 51 16843 1 . LEU 52 52 16843 1 . PHE 53 53 16843 1 . PRO 54 54 16843 1 . SER 55 55 16843 1 . ASN 56 56 16843 1 . TYR 57 57 16843 1 . VAL 58 58 16843 1 . SER 59 59 16843 1 . LEU 60 60 16843 1 . GLY 61 61 16843 1 . ASN 62 62 16843 1 stop_ save_ save_Ark1p _Entity.Sf_category entity _Entity.Sf_framecode Ark1p _Entity.Entry_ID 16843 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ark1p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code KKTKPTPPPKPSHLKPK _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17223 . Ark1p . . . . . 100.00 17 100.00 100.00 7.83e+00 . . . . 16843 2 2 no BMRB 18055 . ArkA . . . . . 100.00 17 100.00 100.00 7.83e+00 . . . . 16843 2 3 no BMRB 18067 . ArkA_P(2)A . . . . . 100.00 17 100.00 100.00 7.83e+00 . . . . 16843 2 4 no PDB 2RPN . "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" . . . . . 100.00 18 100.00 100.00 6.61e+00 . . . . 16843 2 5 no DBJ GAA26063 . "K7_Ark1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 6 no EMBL CAA95882 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 7 no GB AHY77072 . "Ark1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 638 100.00 100.00 3.10e+00 . . . . 16843 2 8 no GB EDN62778 . "actin regulating kinase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 9 no GB EDV12290 . "serine/threonine kinase [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 638 100.00 100.00 3.10e+00 . . . . 16843 2 10 no GB EEU04773 . "Ark1p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 638 100.00 100.00 3.10e+00 . . . . 16843 2 11 no GB EGA56977 . "Ark1p [Saccharomyces cerevisiae FostersB]" . . . . . 100.00 638 100.00 100.00 3.02e+00 . . . . 16843 2 12 no REF NP_014378 . "Ark1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 13 no SP P53974 . "RecName: Full=Actin-regulating kinase 1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 14 no TPG DAA10525 . "TPA: serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 638 100.00 100.00 3.07e+00 . . . . 16843 2 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 . LYS . 16843 2 2 . LYS . 16843 2 3 . THR . 16843 2 4 . LYS . 16843 2 5 . PRO . 16843 2 6 . THR . 16843 2 7 . PRO . 16843 2 8 . PRO . 16843 2 9 . PRO . 16843 2 10 . LYS . 16843 2 11 . PRO . 16843 2 12 . SER . 16843 2 13 . HIS . 16843 2 14 . LEU . 16843 2 15 . LYS . 16843 2 16 . PRO . 16843 2 17 . LYS . 16843 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 16843 2 . LYS 2 2 16843 2 . THR 3 3 16843 2 . LYS 4 4 16843 2 . PRO 5 5 16843 2 . THR 6 6 16843 2 . PRO 7 7 16843 2 . PRO 8 8 16843 2 . PRO 9 9 16843 2 . LYS 10 10 16843 2 . PRO 11 11 16843 2 . SER 12 12 16843 2 . HIS 13 13 16843 2 . LEU 14 14 16843 2 . LYS 15 15 16843 2 . PRO 16 16 16843 2 . LYS 17 17 16843 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16843 _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 $Abp1p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16843 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 16843 _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 $Abp1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32b . . . . . . 16843 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16843 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using Pf1 phage ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Abp1p '[U-90% 2H; U-100% 15N]' . . 1 $Abp1p . . 1.5 . . mM . . . . 16843 1 2 Ark1p '[U-90% 2H; U-100% 15N]' . . 2 $Ark1p . . 0.105 . . mM . . . . 16843 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16843 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16843 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16843 1 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 16843 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16843 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using PEG (C12E5)/hexanol, D2O Spliting 21 Hz ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Abp1p '[U-90% 2H; U-100% 15N]' . . 1 $Abp1p . . 1.5 . . mM . . . . 16843 2 2 Ark1p 'natural abundance' . . 2 $Ark1p . . 0.105 . . mM . . . . 16843 2 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16843 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16843 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16843 2 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 16843 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16843 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using pf1 phage ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Abp1p '[U-90% 2H; U-100% 15N; 13CO labeled]' . . 1 $Abp1p . . 1.5 . . mM . . . . 16843 3 2 Ark1p 'natural abundance' . . 2 $Ark1p . . 0.105 . . mM . . . . 16843 3 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16843 3 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16843 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16843 3 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 16843 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16843 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using pf1 phage ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Abp1p '[U-90% 2H; U-100% 15N; 13Ca labeled]' . . 1 $Abp1p . . 1.5 . . mM . . . . 16843 4 2 Ark1p 'natural abundance' . . 2 $Ark1p . . 0.105 . . mM . . . . 16843 4 3 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16843 4 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16843 4 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16843 4 6 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 16843 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16843 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using Pf1 phage ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 16843 1 pH 7.0 . pH 16843 1 pressure 1 . atm 16843 1 temperature 298 . K 16843 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16843 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16843 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16843 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16843 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16843 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16843 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Has Cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16843 _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 Varian INOVA . 500 . . . 16843 1 2 spectrometer_2 Varian INOVA . 800 . . . 16843 1 3 spectrometer_3 Varian INOVA . 600 'Has Cold probe' . . 16843 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 16843 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N CT-CW,TROSY,anti-TROSY CPMG' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 2 '15N CT-CW,TROSY,anti-TROSY CPMG' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 3 '13CO CT-inphase,TROSY,anti-TROSY CPMG' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 4 '13CA CT-CW,TROSY,anti-TROSY CPMG' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 5 '15N CT-CW CPMG' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 6 '13 CO CT CPMG' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 7 '13 CA CT-CW CPMG' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 8 '1H CT-CW CPMG' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16843 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16843 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.75 internal indirect 0.251449530 . . . . . . . . . 16843 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . . . . . 16843 1 N 15 water protons . . . . ppm 4.75 internal indirect 0.101329118 . . . . . . . . . 16843 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16843 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'All errors were derived from fits to the CPMG data.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '13CA CT-CW,TROSY,anti-TROSY CPMG' . . . 16843 1 5 '15N CT-CW CPMG' . . . 16843 1 6 '13 CO CT CPMG' . . . 16843 1 8 '1H CT-CW CPMG' . . . 16843 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 4 4 ALA H H 1 8.336 . . 1 . . . . 1 A HN . 16843 1 2 . 1 1 4 4 ALA CA C 13 50.580 . . 1 . . . . 1 A CA . 16843 1 3 . 1 1 4 4 ALA N N 15 126.830 . . 1 . . . . 1 A N . 16843 1 4 . 1 1 5 5 PRO C C 13 174.020 . . 1 . . . . 2 P C . 16843 1 5 . 1 1 5 5 PRO CA C 13 63.590 . . 1 . . . . 2 P CA . 16843 1 6 . 1 1 6 6 TRP H H 1 7.824 . . 1 . . . . 3 W HN . 16843 1 7 . 1 1 6 6 TRP C C 13 174.290 . . 1 . . . . 3 W C . 16843 1 8 . 1 1 6 6 TRP CA C 13 54.220 . . 1 . . . . 3 W CA . 16843 1 9 . 1 1 6 6 TRP N N 15 116.180 . . 1 . . . . 3 W N . 16843 1 10 . 1 1 7 7 ALA H H 1 10.086 . . 1 . . . . 4 A HN . 16843 1 11 . 1 1 7 7 ALA C C 13 175.110 . . 1 . . . . 4 A C . 16843 1 12 . 1 1 7 7 ALA CA C 13 50.890 . . 1 . . . . 4 A CA . 16843 1 13 . 1 1 7 7 ALA N N 15 120.850 . . 1 . . . . 4 A N . 16843 1 14 . 1 1 8 8 THR H H 1 8.306 . . 1 . . . . 5 T HN . 16843 1 15 . 1 1 8 8 THR C C 13 174.880 . . 1 . . . . 5 T C . 16843 1 16 . 1 1 8 8 THR CA C 13 60.770 . . 1 . . . . 5 T CA . 16843 1 17 . 1 1 8 8 THR N N 15 113.320 . . 1 . . . . 5 T N . 16843 1 18 . 1 1 9 9 ALA H H 1 8.942 . . 1 . . . . 6 A HN . 16843 1 19 . 1 1 9 9 ALA C C 13 178.430 . . 1 . . . . 6 A C . 16843 1 20 . 1 1 9 9 ALA CA C 13 53.180 . . 1 . . . . 6 A CA . 16843 1 21 . 1 1 9 9 ALA N N 15 127.520 . . 1 . . . . 6 A N . 16843 1 22 . 1 1 10 10 GLU H H 1 9.410 . . 1 . . . . 7 E HN . 16843 1 23 . 1 1 10 10 GLU C C 13 174.070 . . 1 . . . . 7 E C . 16843 1 24 . 1 1 10 10 GLU CA C 13 56.360 . . 1 . . . . 7 E CA . 16843 1 25 . 1 1 10 10 GLU N N 15 125.350 . . 1 . . . . 7 E N . 16843 1 26 . 1 1 11 11 TYR H H 1 7.449 . . 1 . . . . 8 Y HN . 16843 1 27 . 1 1 11 11 TYR C C 13 173.190 . . 1 . . . . 8 Y C . 16843 1 28 . 1 1 11 11 TYR CA C 13 54.890 . . 1 . . . . 8 Y CA . 16843 1 29 . 1 1 11 11 TYR N N 15 113.090 . . 1 . . . . 8 Y N . 16843 1 30 . 1 1 12 12 ASP H H 1 8.598 . . 1 . . . . 9 D HN . 16843 1 31 . 1 1 12 12 ASP C C 13 175.570 . . 1 . . . . 9 D C . 16843 1 32 . 1 1 12 12 ASP CA C 13 54.410 . . 1 . . . . 9 D CA . 16843 1 33 . 1 1 12 12 ASP N N 15 118.660 . . 1 . . . . 9 D N . 16843 1 34 . 1 1 13 13 TYR H H 1 8.220 . . 1 . . . . 10 Y HN . 16843 1 35 . 1 1 13 13 TYR C C 13 172.650 . . 1 . . . . 10 Y C . 16843 1 36 . 1 1 13 13 TYR CA C 13 58.850 . . 1 . . . . 10 Y CA . 16843 1 37 . 1 1 13 13 TYR N N 15 121.770 . . 1 . . . . 10 Y N . 16843 1 38 . 1 1 14 14 ASP H H 1 7.090 . . 1 . . . . 11 D HN . 16843 1 39 . 1 1 14 14 ASP C C 13 173.250 . . 1 . . . . 11 D C . 16843 1 40 . 1 1 14 14 ASP CA C 13 52.240 . . 1 . . . . 11 D CA . 16843 1 41 . 1 1 14 14 ASP N N 15 125.750 . . 1 . . . . 11 D N . 16843 1 42 . 1 1 15 15 ALA H H 1 7.709 . . 1 . . . . 12 A HN . 16843 1 43 . 1 1 15 15 ALA C C 13 178.460 . . 1 . . . . 12 A C . 16843 1 44 . 1 1 15 15 ALA CA C 13 53.540 . . 1 . . . . 12 A CA . 16843 1 45 . 1 1 15 15 ALA N N 15 123.700 . . 1 . . . . 12 A N . 16843 1 46 . 1 1 16 16 ALA H H 1 8.854 . . 1 . . . . 13 A HN . 16843 1 47 . 1 1 16 16 ALA C C 13 177.430 . . 1 . . . . 13 A C . 16843 1 48 . 1 1 16 16 ALA CA C 13 52.100 . . 1 . . . . 13 A CA . 16843 1 49 . 1 1 16 16 ALA N N 15 125.740 . . 1 . . . . 13 A N . 16843 1 50 . 1 1 17 17 GLU H H 1 7.085 . . 1 . . . . 14 E HN . 16843 1 51 . 1 1 17 17 GLU C C 13 177.410 . . 1 . . . . 14 E C . 16843 1 52 . 1 1 17 17 GLU CA C 13 54.350 . . 1 . . . . 14 E CA . 16843 1 53 . 1 1 17 17 GLU N N 15 113.060 . . 1 . . . . 14 E N . 16843 1 54 . 1 1 18 18 ASP H H 1 8.671 . . 1 . . . . 15 D HN . 16843 1 55 . 1 1 18 18 ASP C C 13 175.630 . . 1 . . . . 15 D C . 16843 1 56 . 1 1 18 18 ASP CA C 13 56.820 . . 1 . . . . 15 D CA . 16843 1 57 . 1 1 18 18 ASP N N 15 117.870 . . 1 . . . . 15 D N . 16843 1 58 . 1 1 19 19 ASN H H 1 7.324 . . 1 . . . . 16 N HN . 16843 1 59 . 1 1 19 19 ASN C C 13 175.510 . . 1 . . . . 16 N C . 16843 1 60 . 1 1 19 19 ASN N N 15 113.580 . . 1 . . . . 16 N N . 16843 1 61 . 1 1 20 20 GLU H H 1 7.561 . . 1 . . . . 17 E HN . 16843 1 62 . 1 1 20 20 GLU C C 13 176.570 . . 1 . . . . 17 E C . 16843 1 63 . 1 1 20 20 GLU CA C 13 54.890 . . 1 . . . . 17 E CA . 16843 1 64 . 1 1 20 20 GLU N N 15 117.770 . . 1 . . . . 17 E N . 16843 1 65 . 1 1 21 21 LEU H H 1 8.756 . . 1 . . . . 18 L HN . 16843 1 66 . 1 1 21 21 LEU N N 15 122.350 . . 1 . . . . 18 L N . 16843 1 67 . 1 1 22 22 THR H H 1 7.387 . . 1 . . . . 19 T HN . 16843 1 68 . 1 1 22 22 THR C C 13 174.450 . . 1 . . . . 19 T C . 16843 1 69 . 1 1 22 22 THR CA C 13 61.730 . . 1 . . . . 19 T CA . 16843 1 70 . 1 1 22 22 THR N N 15 114.340 . . 1 . . . . 19 T N . 16843 1 71 . 1 1 23 23 PHE H H 1 9.013 . . 1 . . . . 20 F HN . 16843 1 72 . 1 1 23 23 PHE C C 13 174.890 . . 1 . . . . 20 F C . 16843 1 73 . 1 1 23 23 PHE CA C 13 55.530 . . 1 . . . . 20 F CA . 16843 1 74 . 1 1 23 23 PHE N N 15 120.590 . . 1 . . . . 20 F N . 16843 1 75 . 1 1 24 24 VAL H H 1 9.253 . . 1 . . . . 21 V HN . 16843 1 76 . 1 1 24 24 VAL C C 13 174.970 . . 1 . . . . 21 V C . 16843 1 77 . 1 1 24 24 VAL CA C 13 59.080 . . 1 . . . . 21 V CA . 16843 1 78 . 1 1 24 24 VAL N N 15 116.790 . . 1 . . . . 21 V N . 16843 1 79 . 1 1 25 25 GLU H H 1 8.786 . . 1 . . . . 22 E HN . 16843 1 80 . 1 1 25 25 GLU C C 13 176.640 . . 1 . . . . 22 E C . 16843 1 81 . 1 1 25 25 GLU CA C 13 58.510 . . 1 . . . . 22 E CA . 16843 1 82 . 1 1 25 25 GLU N N 15 120.530 . . 1 . . . . 22 E N . 16843 1 83 . 1 1 26 26 ASN H H 1 8.905 . . 1 . . . . 23 N HN . 16843 1 84 . 1 1 26 26 ASN C C 13 175.120 . . 1 . . . . 23 N C . 16843 1 85 . 1 1 26 26 ASN CA C 13 56.160 . . 1 . . . . 23 N CA . 16843 1 86 . 1 1 26 26 ASN N N 15 117.260 . . 1 . . . . 23 N N . 16843 1 87 . 1 1 27 27 ASP H H 1 8.645 . . 1 . . . . 24 D HN . 16843 1 88 . 1 1 27 27 ASP C C 13 175.500 . . 1 . . . . 24 D C . 16843 1 89 . 1 1 27 27 ASP CA C 13 56.050 . . 1 . . . . 24 D CA . 16843 1 90 . 1 1 27 27 ASP N N 15 122.590 . . 1 . . . . 24 D N . 16843 1 91 . 1 1 28 28 LYS H H 1 8.172 . . 1 . . . . 25 K HN . 16843 1 92 . 1 1 28 28 LYS C C 13 175.860 . . 1 . . . . 25 K C . 16843 1 93 . 1 1 28 28 LYS CA C 13 55.980 . . 1 . . . . 25 K CA . 16843 1 94 . 1 1 28 28 LYS N N 15 120.270 . . 1 . . . . 25 K N . 16843 1 95 . 1 1 29 29 ILE H H 1 9.321 . . 1 . . . . 26 I HN . 16843 1 96 . 1 1 29 29 ILE C C 13 174.900 . . 1 . . . . 26 I C . 16843 1 97 . 1 1 29 29 ILE N N 15 130.670 . . 1 . . . . 26 I N . 16843 1 98 . 1 1 30 30 ILE H H 1 9.827 . . 1 . . . . 27 I HN . 16843 1 99 . 1 1 30 30 ILE C C 13 174.920 . . 1 . . . . 27 I C . 16843 1 100 . 1 1 30 30 ILE N N 15 118.980 . . 1 . . . . 27 I N . 16843 1 101 . 1 1 31 31 ASN H H 1 9.059 . . 1 . . . . 28 N HN . 16843 1 102 . 1 1 31 31 ASN C C 13 174.950 . . 1 . . . . 28 N C . 16843 1 103 . 1 1 31 31 ASN CA C 13 53.870 . . 1 . . . . 28 N CA . 16843 1 104 . 1 1 31 31 ASN N N 15 115.820 . . 1 . . . . 28 N N . 16843 1 105 . 1 1 32 32 ILE H H 1 7.898 . . 1 . . . . 29 I HN . 16843 1 106 . 1 1 32 32 ILE C C 13 176.110 . . 1 . . . . 29 I C . 16843 1 107 . 1 1 32 32 ILE N N 15 117.130 . . 1 . . . . 29 I N . 16843 1 108 . 1 1 33 33 GLU H H 1 9.236 . . 1 . . . . 30 E HN . 16843 1 109 . 1 1 33 33 GLU CA C 13 54.480 . . 1 . . . . 30 E CA . 16843 1 110 . 1 1 33 33 GLU N N 15 124.760 . . 1 . . . . 30 E N . 16843 1 111 . 1 1 34 34 PHE H H 1 8.722 . . 1 . . . . 31 F HN . 16843 1 112 . 1 1 34 34 PHE C C 13 176.670 . . 1 . . . . 31 F C . 16843 1 113 . 1 1 34 34 PHE CA C 13 54.740 . . 1 . . . . 31 F CA . 16843 1 114 . 1 1 34 34 PHE N N 15 128.360 . . 1 . . . . 31 F N . 16843 1 115 . 1 1 35 35 VAL H H 1 7.730 . . 1 . . . . 32 V HN . 16843 1 116 . 1 1 35 35 VAL C C 13 174.340 . . 1 . . . . 32 V C . 16843 1 117 . 1 1 35 35 VAL CA C 13 64.300 . . 1 . . . . 32 V CA . 16843 1 118 . 1 1 35 35 VAL N N 15 117.380 . . 1 . . . . 32 V N . 16843 1 119 . 1 1 36 36 ASP H H 1 8.315 . . 1 . . . . 33 D HN . 16843 1 120 . 1 1 36 36 ASP C C 13 173.690 . . 1 . . . . 33 D C . 16843 1 121 . 1 1 36 36 ASP CA C 13 53.360 . . 1 . . . . 33 D CA . 16843 1 122 . 1 1 36 36 ASP N N 15 120.430 . . 1 . . . . 33 D N . 16843 1 123 . 1 1 37 37 ASP H H 1 8.169 . . 1 . . . . 34 D HN . 16843 1 124 . 1 1 37 37 ASP C C 13 177.490 . . 1 . . . . 34 D C . 16843 1 125 . 1 1 37 37 ASP CA C 13 57.800 . . 1 . . . . 34 D CA . 16843 1 126 . 1 1 37 37 ASP N N 15 118.560 . . 1 . . . . 34 D N . 16843 1 127 . 1 1 38 38 ASP H H 1 8.720 . . 1 . . . . 35 D HN . 16843 1 128 . 1 1 38 38 ASP CA C 13 55.120 . . 1 . . . . 35 D CA . 16843 1 129 . 1 1 38 38 ASP N N 15 116.470 . . 1 . . . . 35 D N . 16843 1 130 . 1 1 39 39 TRP H H 1 7.827 . . 1 . . . . 36 W HN . 16843 1 131 . 1 1 39 39 TRP C C 13 172.550 . . 1 . . . . 36 W C . 16843 1 132 . 1 1 39 39 TRP CA C 13 56.950 . . 1 . . . . 36 W CA . 16843 1 133 . 1 1 39 39 TRP N N 15 122.490 . . 1 . . . . 36 W N . 16843 1 134 . 1 1 40 40 TRP H H 1 7.876 . . 1 . . . . 37 W HN . 16843 1 135 . 1 1 40 40 TRP C C 13 172.540 . . 1 . . . . 37 W C . 16843 1 136 . 1 1 40 40 TRP CA C 13 51.560 . . 1 . . . . 37 W CA . 16843 1 137 . 1 1 40 40 TRP N N 15 119.940 . . 1 . . . . 37 W N . 16843 1 138 . 1 1 41 41 LEU H H 1 8.358 . . 1 . . . . 38 L HN . 16843 1 139 . 1 1 41 41 LEU N N 15 121.000 . . 1 . . . . 38 L N . 16843 1 140 . 1 1 42 42 GLY H H 1 8.833 . . 1 . . . . 39 G HN . 16843 1 141 . 1 1 42 42 GLY C C 13 177.660 . . 1 . . . . 39 G C . 16843 1 142 . 1 1 42 42 GLY CA C 13 45.860 . . 1 . . . . 39 G CA . 16843 1 143 . 1 1 42 42 GLY N N 15 109.390 . . 1 . . . . 39 G N . 16843 1 144 . 1 1 43 43 GLU H H 1 8.587 . . 1 . . . . 40 E HN . 16843 1 145 . 1 1 43 43 GLU C C 13 175.660 . . 1 . . . . 40 E C . 16843 1 146 . 1 1 43 43 GLU CA C 13 52.620 . . 1 . . . . 40 E CA . 16843 1 147 . 1 1 43 43 GLU N N 15 119.760 . . 1 . . . . 40 E N . 16843 1 148 . 1 1 44 44 LEU H H 1 9.521 . . 1 . . . . 41 L HN . 16843 1 149 . 1 1 44 44 LEU N N 15 125.870 . . 1 . . . . 41 L N . 16843 1 150 . 1 1 45 45 GLU H H 1 8.190 . . 1 . . . . 42 E HN . 16843 1 151 . 1 1 45 45 GLU C C 13 178.540 . . 1 . . . . 42 E C . 16843 1 152 . 1 1 45 45 GLU CA C 13 59.830 . . 1 . . . . 42 E CA . 16843 1 153 . 1 1 45 45 GLU N N 15 129.280 . . 1 . . . . 42 E N . 16843 1 154 . 1 1 46 46 LYS H H 1 9.240 . . 1 . . . . 43 K HN . 16843 1 155 . 1 1 46 46 LYS C C 13 176.760 . . 1 . . . . 43 K C . 16843 1 156 . 1 1 46 46 LYS CA C 13 58.600 . . 1 . . . . 43 K CA . 16843 1 157 . 1 1 46 46 LYS N N 15 113.610 . . 1 . . . . 43 K N . 16843 1 158 . 1 1 47 47 ASP H H 1 6.822 . . 1 . . . . 44 D HN . 16843 1 159 . 1 1 47 47 ASP C C 13 177.220 . . 1 . . . . 44 D C . 16843 1 160 . 1 1 47 47 ASP CA C 13 53.560 . . 1 . . . . 44 D CA . 16843 1 161 . 1 1 47 47 ASP N N 15 114.240 . . 1 . . . . 44 D N . 16843 1 162 . 1 1 48 48 GLY H H 1 8.411 . . 1 . . . . 45 G HN . 16843 1 163 . 1 1 48 48 GLY C C 13 174.470 . . 1 . . . . 45 G C . 16843 1 164 . 1 1 48 48 GLY CA C 13 46.160 . . 1 . . . . 45 G CA . 16843 1 165 . 1 1 48 48 GLY N N 15 109.800 . . 1 . . . . 45 G N . 16843 1 166 . 1 1 49 49 SER H H 1 8.686 . . 1 . . . . 46 S HN . 16843 1 167 . 1 1 49 49 SER C C 13 172.620 . . 1 . . . . 46 S C . 16843 1 168 . 1 1 49 49 SER CA C 13 59.800 . . 1 . . . . 46 S CA . 16843 1 169 . 1 1 49 49 SER N N 15 118.280 . . 1 . . . . 46 S N . 16843 1 170 . 1 1 50 50 LYS H H 1 8.374 . . 1 . . . . 47 K HN . 16843 1 171 . 1 1 50 50 LYS C C 13 176.870 . . 1 . . . . 47 K C . 16843 1 172 . 1 1 50 50 LYS CA C 13 54.960 . . 1 . . . . 47 K CA . 16843 1 173 . 1 1 50 50 LYS N N 15 119.480 . . 1 . . . . 47 K N . 16843 1 174 . 1 1 51 51 GLY H H 1 8.751 . . 1 . . . . 48 G HN . 16843 1 175 . 1 1 51 51 GLY C C 13 171.500 . . 1 . . . . 48 G C . 16843 1 176 . 1 1 51 51 GLY CA C 13 45.610 . . 1 . . . . 48 G CA . 16843 1 177 . 1 1 51 51 GLY N N 15 108.570 . . 1 . . . . 48 G N . 16843 1 178 . 1 1 52 52 LEU H H 1 9.106 . . 1 . . . . 49 L HN . 16843 1 179 . 1 1 52 52 LEU N N 15 119.620 . . 1 . . . . 49 L N . 16843 1 180 . 1 1 53 53 PHE H H 1 9.234 . . 1 . . . . 50 F HN . 16843 1 181 . 1 1 53 53 PHE CA C 13 55.130 . . 1 . . . . 50 F CA . 16843 1 182 . 1 1 53 53 PHE N N 15 115.170 . . 1 . . . . 50 F N . 16843 1 183 . 1 1 54 54 PRO C C 13 178.440 . . 1 . . . . 51 P C . 16843 1 184 . 1 1 54 54 PRO CA C 13 60.740 . . 1 . . . . 51 P CA . 16843 1 185 . 1 1 55 55 SER H H 1 7.870 . . 1 . . . . 52 S HN . 16843 1 186 . 1 1 55 55 SER C C 13 174.520 . . 1 . . . . 52 S C . 16843 1 187 . 1 1 55 55 SER CA C 13 60.470 . . 1 . . . . 52 S CA . 16843 1 188 . 1 1 55 55 SER N N 15 120.570 . . 1 . . . . 52 S N . 16843 1 189 . 1 1 56 56 ASN C C 13 175.200 . . 1 . . . . 53 N C . 16843 1 190 . 1 1 56 56 ASN CA C 13 53.220 . . 1 . . . . 53 N CA . 16843 1 191 . 1 1 56 56 ASN N N 15 116.140 . . 1 . . . . 53 N N . 16843 1 192 . 1 1 57 57 TYR H H 1 7.792 . . 1 . . . . 54 Y HN . 16843 1 193 . 1 1 57 57 TYR C C 13 175.490 . . 1 . . . . 54 Y C . 16843 1 194 . 1 1 57 57 TYR CA C 13 59.100 . . 1 . . . . 54 Y CA . 16843 1 195 . 1 1 57 57 TYR N N 15 119.160 . . 1 . . . . 54 Y N . 16843 1 196 . 1 1 58 58 VAL H H 1 7.419 . . 1 . . . . 55 V HN . 16843 1 197 . 1 1 58 58 VAL C C 13 173.780 . . 1 . . . . 55 V C . 16843 1 198 . 1 1 58 58 VAL CA C 13 58.510 . . 1 . . . . 55 V CA . 16843 1 199 . 1 1 58 58 VAL N N 15 109.260 . . 1 . . . . 55 V N . 16843 1 200 . 1 1 59 59 SER H H 1 8.604 . . 1 . . . . 56 S HN . 16843 1 201 . 1 1 59 59 SER C C 13 175.460 . . 1 . . . . 56 S C . 16843 1 202 . 1 1 59 59 SER CA C 13 56.230 . . 1 . . . . 56 S CA . 16843 1 203 . 1 1 59 59 SER N N 15 113.840 . . 1 . . . . 56 S N . 16843 1 204 . 1 1 60 60 LEU H H 1 9.158 . . 1 . . . . 57 L HN . 16843 1 205 . 1 1 60 60 LEU N N 15 129.010 . . 1 . . . . 57 L N . 16843 1 206 . 1 1 61 61 GLY H H 1 8.487 . . 1 . . . . 58 G HN . 16843 1 207 . 1 1 61 61 GLY C C 13 172.430 . . 1 . . . . 58 G C . 16843 1 208 . 1 1 61 61 GLY CA C 13 43.560 . . 1 . . . . 58 G CA . 16843 1 209 . 1 1 61 61 GLY N N 15 111.540 . . 1 . . . . 58 G N . 16843 1 210 . 1 1 62 62 ASN H H 1 7.478 . . 1 . . . . 59 N HN . 16843 1 211 . 1 1 62 62 ASN CA C 13 54.620 . . 1 . . . . 59 N CA . 16843 1 212 . 1 1 62 62 ASN N N 15 123.280 . . 1 . . . . 59 N N . 16843 1 stop_ save_