data_4747 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4747 _Entry.Title ; Random Coil Chemical Shifts in Acidic 8 M Urea and Their Implementation into NMRView ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-30 _Entry.Accession_date 2000-05-30 _Entry.Last_release_date 2015-04-15 _Entry.Original_release_date 2015-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1.1.77 _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 Stephan Schwarzinger . . . 4747 2 Gerard Kroon . J.A. . 4747 3 Ted Foss . R. . 4747 4 Peter Wright . E. . 4747 5 'H. Jane' Dyson . . . 4747 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 22 4747 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 4747 '15N chemical shifts' 20 4747 '1H chemical shifts' 193 4747 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 . . 2008-07-16 . update BMRB 'Updating non-standard residue' 4747 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4747 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20513405 _Citation.DOI . _Citation.PubMed_ID 11061227 _Citation.Full_citation . _Citation.Title ; Random coil chemical shifts in acidic 8 M urea: implementation of random coil shift data in NMRView ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 18 _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 43 _Citation.Page_last 48 _Citation.Year 2000 _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 Stephan Schwarzinger . . . 4747 1 2 Gerard Kroon . J.A. . 4747 1 3 Ted Foss . R. . 4747 1 4 Peter Wright . E. . 4747 1 5 'H. Jane' Dyson . . . 4747 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CSI 4747 1 NMRView 4747 1 'chemical shift' 4747 1 denaturant 4747 1 peptide 4747 1 'random coil' 4747 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_GGXGG _Assembly.Sf_category assembly _Assembly.Sf_framecode GGXGG _Assembly.Entry_ID 4747 _Assembly.ID 1 _Assembly.Name 'Ac-GGXGG-NH2 pentapeptides' _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 'free and disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer/dimer 4747 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 Ac-GGAGG-NH2 1 $Ac-GGAGG-NH2 . . . denatured . . . . . 4747 1 2 'Ac-GGC-CGG-NH2 monomer 1' 2 $Ac-GGC-CGG-NH2 . . . denatured . . 1 . . 4747 1 3 'Ac-GGC-CGG-NH2 monomer 2' 2 $Ac-GGC-CGG-NH2 . . . denatured . . 1 . . 4747 1 4 Ac-GGCGG-NH2 3 $Ac-GGCGG-NH2 . . . denatured . . . . . 4747 1 5 Ac-GGDGG-NH2 4 $Ac-GGDGG-NH2 . . . denatured . . . . . 4747 1 6 Ac-GGEGG-NH2 5 $Ac-GGEGG-NH2 . . . denatured . . . . . 4747 1 7 Ac-GGFGG-NH2 6 $Ac-GGFGG-NH2 . . . denatured . . . . . 4747 1 8 Ac-GGGGG-NH2 7 $Ac-GGGGG-NH2 . . . denatured . . . . . 4747 1 9 Ac-GGHGG-NH2 8 $Ac-GGHGG-NH2 . . . denatured . . . . . 4747 1 10 Ac-GGIGG-NH2 9 $Ac-GGIGG-NH2 . . . denatured . . . . . 4747 1 11 Ac-GGKGG-NH2 10 $Ac-GGKGG-NH2 . . . denatured . . . . . 4747 1 12 Ac-GGLGG-NH2 11 $Ac-GGLGG-NH2 . . . denatured . . . . . 4747 1 13 Ac-GGMGG-NH2 12 $Ac-GGMGG-NH2 . . . denatured . . . . . 4747 1 14 Ac-GGNGG-NH2 13 $Ac-GGNGG-NH2 . . . denatured . . . . . 4747 1 15 Ac-GGPtGG-NH2 14 $Ac-GGPtGG-NH2 . . . denatured . . . . . 4747 1 16 Ac-GGPcGG-NH2 15 $Ac-GGPcGG-NH2 . . . denatured . . . . . 4747 1 17 Ac-GGQGG-NH2 16 $Ac-GGQGG-NH2 . . . denatured . . . . . 4747 1 18 Ac-GGRGG-NH2 17 $Ac-GGRGG-NH2 . . . denatured . . . . . 4747 1 19 Ac-GGSGG-NH2 18 $Ac-GGSGG-NH2 . . . denatured . . . . . 4747 1 20 Ac-GGTGG-NH2 19 $Ac-GGTGG-NH2 . . . denatured . . . . . 4747 1 21 Ac-GGVGG-NH2 20 $Ac-GGVGG-NH2 . . . denatured . . . . . 4747 1 22 Ac-GGWGG-NH2 21 $Ac-GGWGG-NH2 . . . denatured . . . . . 4747 1 23 Ac-GGYGG-NH2 22 $Ac-GGYGG-NH2 . . . denatured . . . . . 4747 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 2 CYS 4 4 SG . 3 . 2 CYS 4 4 SG . . . . . . . . . . 4747 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ac-GGXGG-NH2 pentapeptides' system 4747 1 GGXGG abbreviation 4747 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ac-GGAGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGAGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ac-GGAGG-NH2 _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 ; XGGAGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGAGG-NH2 abbreviation 4747 1 Ac-GGAGG-NH2 common 4747 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 . ACE . 4747 1 2 . GLY . 4747 1 3 . GLY . 4747 1 4 . ALA . 4747 1 5 . GLY . 4747 1 6 . GLY . 4747 1 7 . NH2 . 4747 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 . ACE 1 1 4747 1 . GLY 2 2 4747 1 . GLY 3 3 4747 1 . ALA 4 4 4747 1 . GLY 5 5 4747 1 . GLY 6 6 4747 1 . NH2 7 7 4747 1 stop_ save_ save_Ac-GGC-CGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGC-CGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ac-GGC-CGG-NH2 _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 ; XGGCGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGC-CGG-NH2 abbreviation 4747 2 Ac-GGC-CGG-NH2 common 4747 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 . ACE . 4747 2 2 . GLY . 4747 2 3 . GLY . 4747 2 4 . CYS . 4747 2 5 . GLY . 4747 2 6 . GLY . 4747 2 7 . NH2 . 4747 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 . ACE 1 1 4747 2 . GLY 2 2 4747 2 . GLY 3 3 4747 2 . CYS 4 4 4747 2 . GLY 5 5 4747 2 . GLY 6 6 4747 2 . NH2 7 7 4747 2 stop_ save_ save_Ac-GGCGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGCGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name Ac-GGCGG-NH2 _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 ; XGGCGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGCGG-NH2 abbreviation 4747 3 Ac-GGCGG-NH2 common 4747 3 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 . ACE . 4747 3 2 . GLY . 4747 3 3 . GLY . 4747 3 4 . CYS . 4747 3 5 . GLY . 4747 3 6 . GLY . 4747 3 7 . NH2 . 4747 3 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 . ACE 1 1 4747 3 . GLY 2 2 4747 3 . GLY 3 3 4747 3 . CYS 4 4 4747 3 . GLY 5 5 4747 3 . GLY 6 6 4747 3 . NH2 7 7 4747 3 stop_ save_ save_Ac-GGDGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGDGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name Ac-GGDGG-NH2 _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 ; XGGDGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGDGG-NH2 abbreviation 4747 4 Ac-GGDGG-NH2 common 4747 4 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 . ACE . 4747 4 2 . GLY . 4747 4 3 . GLY . 4747 4 4 . ASP . 4747 4 5 . GLY . 4747 4 6 . GLY . 4747 4 7 . NH2 . 4747 4 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 . ACE 1 1 4747 4 . GLY 2 2 4747 4 . GLY 3 3 4747 4 . ALA 4 4 4747 4 . GLY 5 5 4747 4 . GLY 6 6 4747 4 . NH2 7 7 4747 4 stop_ save_ save_Ac-GGEGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGEGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name Ac-GGEGG-NH2 _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 ; XGGEGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGEGG-NH2 abbreviation 4747 5 Ac-GGEGG-NH2 common 4747 5 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 . ACE . 4747 5 2 . GLY . 4747 5 3 . GLY . 4747 5 4 . GLU . 4747 5 5 . GLY . 4747 5 6 . GLY . 4747 5 7 . NH2 . 4747 5 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 . ACE 1 1 4747 5 . GLY 2 2 4747 5 . GLY 3 3 4747 5 . GLU 4 4 4747 5 . GLY 5 5 4747 5 . GLY 6 6 4747 5 . NH2 7 7 4747 5 stop_ save_ save_Ac-GGFGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGFGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 6 _Entity.BMRB_code . _Entity.Name Ac-GGFGG-NH2 _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 ; XGGFGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 6 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGFGG-NH2 abbreviation 4747 6 Ac-GGFGG-NH2 common 4747 6 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 . ACE . 4747 6 2 . GLY . 4747 6 3 . GLY . 4747 6 4 . PHE . 4747 6 5 . GLY . 4747 6 6 . GLY . 4747 6 7 . NH2 . 4747 6 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 . ACE 1 1 4747 6 . GLY 2 2 4747 6 . GLY 3 3 4747 6 . PHE 4 4 4747 6 . GLY 5 5 4747 6 . GLY 6 6 4747 6 . NH2 7 7 4747 6 stop_ save_ save_Ac-GGGGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGGGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 7 _Entity.BMRB_code . _Entity.Name Ac-GGGGG-NH2 _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 ; XGGGGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 7 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGGGG-NH2 abbreviation 4747 7 Ac-GGGGG-NH2 common 4747 7 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 . ACE . 4747 7 2 . GLY . 4747 7 3 . GLY . 4747 7 4 . GLY . 4747 7 5 . GLY . 4747 7 6 . GLY . 4747 7 7 . NH2 . 4747 7 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 . ACE 1 1 4747 7 . GLY 2 2 4747 7 . GLY 3 3 4747 7 . GLY 4 4 4747 7 . GLY 5 5 4747 7 . GLY 6 6 4747 7 . NH2 7 7 4747 7 stop_ save_ save_Ac-GGHGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGHGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 8 _Entity.BMRB_code . _Entity.Name Ac-GGHGG-NH2 _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 ; XGGHGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 8 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGHGG-NH2 abbreviation 4747 8 Ac-GGHGG-NH2 common 4747 8 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 . ACE . 4747 8 2 . GLY . 4747 8 3 . GLY . 4747 8 4 . HIS . 4747 8 5 . GLY . 4747 8 6 . GLY . 4747 8 7 . NH2 . 4747 8 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 . ACE 1 1 4747 8 . GLY 2 2 4747 8 . GLY 3 3 4747 8 . HIS 4 4 4747 8 . GLY 5 5 4747 8 . GLY 6 6 4747 8 . NH2 7 7 4747 8 stop_ save_ save_Ac-GGIGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGIGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 9 _Entity.BMRB_code . _Entity.Name Ac-GGIGG-NH2 _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 ; XGGIGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 9 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGIGG-NH2 abbreviation 4747 9 Ac-GGIGG-NH2 common 4747 9 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 . ACE . 4747 9 2 . GLY . 4747 9 3 . GLY . 4747 9 4 . ILE . 4747 9 5 . GLY . 4747 9 6 . GLY . 4747 9 7 . NH2 . 4747 9 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 . ACE 1 1 4747 9 . GLY 2 2 4747 9 . GLY 3 3 4747 9 . ILE 4 4 4747 9 . GLY 5 5 4747 9 . GLY 6 6 4747 9 . NH2 7 7 4747 9 stop_ save_ save_Ac-GGKGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGKGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 10 _Entity.BMRB_code . _Entity.Name Ac-GGKGG-NH2 _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 ; XGGKGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 10 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGKGG-NH2 abbreviation 4747 10 Ac-GGKGG-NH2 common 4747 10 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 . ACE . 4747 10 2 . GLY . 4747 10 3 . GLY . 4747 10 4 . LYS . 4747 10 5 . GLY . 4747 10 6 . GLY . 4747 10 7 . NH2 . 4747 10 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 . ACE 1 1 4747 10 . GLY 2 2 4747 10 . GLY 3 3 4747 10 . LYS 4 4 4747 10 . GLY 5 5 4747 10 . GLY 6 6 4747 10 . NH2 7 7 4747 10 stop_ save_ save_Ac-GGLGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGLGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 11 _Entity.BMRB_code . _Entity.Name Ac-GGLGG-NH2 _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 ; XGGLGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 11 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGLGG-NH2 abbreviation 4747 11 Ac-GGLGG-NH2 common 4747 11 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 . ACE . 4747 11 2 . GLY . 4747 11 3 . GLY . 4747 11 4 . LEU . 4747 11 5 . GLY . 4747 11 6 . GLY . 4747 11 7 . NH2 . 4747 11 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 . ACE 1 1 4747 11 . GLY 2 2 4747 11 . GLY 3 3 4747 11 . LEU 4 4 4747 11 . GLY 5 5 4747 11 . GLY 6 6 4747 11 . NH2 7 7 4747 11 stop_ save_ save_Ac-GGMGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGMGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 12 _Entity.BMRB_code . _Entity.Name Ac-GGMGG-NH2 _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 ; XGGMGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 12 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGMGG-NH2 abbreviation 4747 12 Ac-GGMGG-NH2 common 4747 12 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 . ACE . 4747 12 2 . GLY . 4747 12 3 . GLY . 4747 12 4 . MET . 4747 12 5 . GLY . 4747 12 6 . GLY . 4747 12 7 . NH2 . 4747 12 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 . ACE 1 1 4747 12 . GLY 2 2 4747 12 . GLY 3 3 4747 12 . MET 4 4 4747 12 . GLY 5 5 4747 12 . GLY 6 6 4747 12 . NH2 7 7 4747 12 stop_ save_ save_Ac-GGNGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGNGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 13 _Entity.BMRB_code . _Entity.Name Ac-GGNGG-NH2 _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 ; XGGNGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 13 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGNGG-NH2 abbreviation 4747 13 Ac-GGNGG-NH2 common 4747 13 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 . ACE . 4747 13 2 . GLY . 4747 13 3 . GLY . 4747 13 4 . ASN . 4747 13 5 . GLY . 4747 13 6 . GLY . 4747 13 7 . NH2 . 4747 13 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 . ACE 1 1 4747 13 . GLY 2 2 4747 13 . GLY 3 3 4747 13 . ASN 4 4 4747 13 . GLY 5 5 4747 13 . GLY 6 6 4747 13 . NH2 7 7 4747 13 stop_ save_ save_Ac-GGPtGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGPtGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 14 _Entity.BMRB_code . _Entity.Name Ac-GGPtGG-NH2 _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 ; XGGPGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 14 _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 'Proline is in trans' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGPtGG-NH2 abbreviation 4747 14 Ac-GGPtGG-NH2 common 4747 14 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 . ACE . 4747 14 2 . GLY . 4747 14 3 . GLY . 4747 14 4 . PRO . 4747 14 5 . GLY . 4747 14 6 . GLY . 4747 14 7 . NH2 . 4747 14 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 . ACE 1 1 4747 14 . GLY 2 2 4747 14 . GLY 3 3 4747 14 . PRO 4 4 4747 14 . GLY 5 5 4747 14 . GLY 6 6 4747 14 . NH2 7 7 4747 14 stop_ save_ save_Ac-GGPcGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGPcGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 15 _Entity.BMRB_code . _Entity.Name Ac-GGPcGG-NH2 _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 ; XGGPGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 15 _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 'Proline is in cis' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGPcGG-NH2 abbreviation 4747 15 Ac-GGPcGG-NH2 common 4747 15 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 . ACE . 4747 15 2 . GLY . 4747 15 3 . GLY . 4747 15 4 . PRO . 4747 15 5 . GLY . 4747 15 6 . GLY . 4747 15 7 . NH2 . 4747 15 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 . ACE 1 1 4747 15 . GLY 2 2 4747 15 . GLY 3 3 4747 15 . PRO 4 4 4747 15 . GLY 5 5 4747 15 . GLY 6 6 4747 15 . NH2 7 7 4747 15 stop_ save_ save_Ac-GGQGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGQGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 16 _Entity.BMRB_code . _Entity.Name Ac-GGQGG-NH2 _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 ; XGGQGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 16 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGQGG-NH2 abbreviation 4747 16 Ac-GGQGG-NH2 common 4747 16 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 . ACE . 4747 16 2 . GLY . 4747 16 3 . GLY . 4747 16 4 . GLN . 4747 16 5 . GLY . 4747 16 6 . GLY . 4747 16 7 . NH2 . 4747 16 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 . ACE 1 1 4747 16 . GLY 2 2 4747 16 . GLY 3 3 4747 16 . GLN 4 4 4747 16 . GLY 5 5 4747 16 . GLY 6 6 4747 16 . NH2 7 7 4747 16 stop_ save_ save_Ac-GGRGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGRGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 17 _Entity.BMRB_code . _Entity.Name Ac-GGRGG-NH2 _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 ; XGGRGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 17 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGRGG-NH2 abbreviation 4747 17 Ac-GGRGG-NH2 common 4747 17 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 . ACE . 4747 17 2 . GLY . 4747 17 3 . GLY . 4747 17 4 . ARG . 4747 17 5 . GLY . 4747 17 6 . GLY . 4747 17 7 . NH2 . 4747 17 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 . ACE 1 1 4747 17 . GLY 2 2 4747 17 . GLY 3 3 4747 17 . ARG 4 4 4747 17 . GLY 5 5 4747 17 . GLY 6 6 4747 17 . NH2 7 7 4747 17 stop_ save_ save_Ac-GGSGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGSGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 18 _Entity.BMRB_code . _Entity.Name Ac-GGSGG-NH2 _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 ; XGGSGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 18 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGSGG-NH2 abbreviation 4747 18 Ac-GGSGG-NH2 common 4747 18 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 . ACE . 4747 18 2 . GLY . 4747 18 3 . GLY . 4747 18 4 . SER . 4747 18 5 . GLY . 4747 18 6 . GLY . 4747 18 7 . NH2 . 4747 18 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 . ACE 1 1 4747 18 . GLY 2 2 4747 18 . GLY 3 3 4747 18 . SER 4 4 4747 18 . GLY 5 5 4747 18 . GLY 6 6 4747 18 . NH2 7 7 4747 18 stop_ save_ save_Ac-GGTGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGTGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 19 _Entity.BMRB_code . _Entity.Name Ac-GGTGG-NH2 _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 ; XGGTGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 19 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGTGG-NH2 abbreviation 4747 19 Ac-GGTGG-NH2 common 4747 19 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 . ACE . 4747 19 2 . GLY . 4747 19 3 . GLY . 4747 19 4 . THR . 4747 19 5 . GLY . 4747 19 6 . GLY . 4747 19 7 . NH2 . 4747 19 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 . ACE 1 1 4747 19 . GLY 2 2 4747 19 . GLY 3 3 4747 19 . THR 4 4 4747 19 . GLY 5 5 4747 19 . GLY 6 6 4747 19 . NH2 7 7 4747 19 stop_ save_ save_Ac-GGVGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGVGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 20 _Entity.BMRB_code . _Entity.Name Ac-GGVGG-NH2 _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 ; XGGVGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 20 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGVGG-NH2 abbreviation 4747 20 Ac-GGVGG-NH2 common 4747 20 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 . ACE . 4747 20 2 . GLY . 4747 20 3 . GLY . 4747 20 4 . VAL . 4747 20 5 . GLY . 4747 20 6 . GLY . 4747 20 7 . NH2 . 4747 20 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 . ACE 1 1 4747 20 . GLY 2 2 4747 20 . GLY 3 3 4747 20 . VAL 4 4 4747 20 . GLY 5 5 4747 20 . GLY 6 6 4747 20 . NH2 7 7 4747 20 stop_ save_ save_Ac-GGWGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGWGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 21 _Entity.BMRB_code . _Entity.Name Ac-GGWGG-NH2 _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 ; XGGWGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 21 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGWGG-NH2 abbreviation 4747 21 Ac-GGWGG-NH2 common 4747 21 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 . ACE . 4747 21 2 . GLY . 4747 21 3 . GLY . 4747 21 4 . TRP . 4747 21 5 . GLY . 4747 21 6 . GLY . 4747 21 7 . NH2 . 4747 21 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 . ACE 1 1 4747 21 . GLY 2 2 4747 21 . GLY 3 3 4747 21 . TRP 4 4 4747 21 . GLY 5 5 4747 21 . GLY 6 6 4747 21 . NH2 7 7 4747 21 stop_ save_ save_Ac-GGYGG-NH2 _Entity.Sf_category entity _Entity.Sf_framecode Ac-GGYGG-NH2 _Entity.Entry_ID 4747 _Entity.ID 22 _Entity.BMRB_code . _Entity.Name Ac-GGYGG-NH2 _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 ; XGGYGGX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 22 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ac-GGYGG-NH2 abbreviation 4747 22 Ac-GGYGG-NH2 common 4747 22 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 . ACE . 4747 22 2 . GLY . 4747 22 3 . GLY . 4747 22 4 . TYR . 4747 22 5 . GLY . 4747 22 6 . GLY . 4747 22 7 . NH2 . 4747 22 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 . ACE 1 1 4747 22 . GLY 2 2 4747 22 . GLY 3 3 4747 22 . TYR 4 4 4747 22 . GLY 5 5 4747 22 . GLY 6 6 4747 22 . NH2 7 7 4747 22 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 4747 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ac-GGAGG-NH2 . . . . . . . . . . . . . . . . . . . . . . . . . 4747 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 4747 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ac-GGAGG-NH2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 4747 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 4747 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 4747 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 4747 ACE CC=O SMILES_CANONICAL CACTVS 3.341 4747 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4747 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 4747 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 4747 ACE O=CC SMILES ACDLabs 10.04 4747 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 4747 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4747 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 4747 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 4747 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 4747 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 4747 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 4747 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 4747 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 4747 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 4747 ACE 2 . SING C CH3 no N 2 . 4747 ACE 3 . SING C H no N 3 . 4747 ACE 4 . SING CH3 H1 no N 4 . 4747 ACE 5 . SING CH3 H2 no N 5 . 4747 ACE 6 . SING CH3 H3 no N 6 . 4747 ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 4747 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 12:15:47 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 4747 NH2 N SMILES ACDLabs 10.04 4747 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 4747 NH2 [NH2] SMILES CACTVS 3.341 4747 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 4747 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 4747 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4747 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 4747 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4747 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 4747 NH2 HN1 . HN1 . . H . . N 0 . . . . no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 4747 NH2 HN2 . HN2 . . H . . N 0 . . . . no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 4747 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 4747 NH2 2 . SING N HN2 no N 2 . 4747 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_GGXGG _Sample.Sf_category sample _Sample.Sf_framecode sample_GGXGG _Sample.Entry_ID 4747 _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 'Ac-GGXGG-NH2 pentapeptides' . 1 $GGXGG . . . . . 20 40 mM . . . . 4747 1 2 urea . . . . . . . 8 . . M . . . . 4747 1 3 DSS . . . . . . . 10 . . mM . . . . 4747 1 4 HCl . . . . . . . 150 . . mM . . . . 4747 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_GGXGG _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_GGXGG _Sample_condition_list.Entry_ID 4747 _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 2.3 0.05 n/a 4747 1 temperature 293 0.2 K 4747 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4747 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DMX' _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 4747 _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 NMR_spectrometer Bruker 'Avance DMX' . 750 . . . 4747 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 4747 _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 '1D-1H (watergate and presaturation)' . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 2 1D-13C . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 3 TOCSY . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 4 DQF-COSY . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 5 '15N-HSQC (natural abundance)' . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 6 '13C-HSQC (natural abundance)' . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 7 '13CO-HSQC (natural abundance)' . . . . . . . . . . . 1 $sample_GGXGG . . . 1 $conditions_GGXGG . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4747 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_GGXGG _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_GGXGG _Chem_shift_reference.Entry_ID 4747 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4747 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4747 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4747 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_Ac-GGAGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGAGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 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 8.35 . . 1 . . . . . . . . 4747 1 2 . 1 1 4 4 ALA HA H 1 4.35 . . 1 . . . . . . . . 4747 1 3 . 1 1 4 4 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4747 1 4 . 1 1 4 4 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4747 1 5 . 1 1 4 4 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4747 1 6 . 1 1 4 4 ALA C C 13 178.5 . . 1 . . . . . . . . 4747 1 7 . 1 1 4 4 ALA CA C 13 52.82 . . 1 . . . . . . . . 4747 1 8 . 1 1 4 4 ALA CB C 13 19.26 . . 1 . . . . . . . . 4747 1 9 . 1 1 4 4 ALA N N 15 125 . . 1 . . . . . . . . 4747 1 10 . 1 1 7 7 NH2 HN1 H 1 7.51 . . 1 . . . . . . . . 4747 1 11 . 1 1 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 1 stop_ save_ save_chemical_shift_Ac-GGC-CGG-NH2_monomer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGC-CGG-NH2_monomer _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 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 . 2 2 4 4 CYS H H 1 8.54 . . 1 . . . . . . . . 4747 2 2 . 2 2 4 4 CYS HA H 1 4.76 . . 1 . . . . . . . . 4747 2 3 . 2 2 4 4 CYS HB2 H 1 3.29 . . 1 . . . . . . . . 4747 2 4 . 2 2 4 4 CYS HB3 H 1 3.02 . . 1 . . . . . . . . 4747 2 5 . 2 2 4 4 CYS C C 13 175.5 . . 1 . . . . . . . . 4747 2 6 . 2 2 4 4 CYS CA C 13 55.63 . . 1 . . . . . . . . 4747 2 7 . 2 2 4 4 CYS CB C 13 41.22 . . 1 . . . . . . . . 4747 2 8 . 2 2 4 4 CYS N N 15 118.7 . . 1 . . . . . . . . 4747 2 stop_ save_ save_chemical_shift_Ac-GGCGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGCGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 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 . 4 3 4 4 CYS H H 1 8.44 . . 1 . . . . . . . . 4747 3 2 . 4 3 4 4 CYS HA H 1 4.59 . . 1 . . . . . . . . 4747 3 3 . 4 3 4 4 CYS HB2 H 1 2.98 . . 1 . . . . . . . . 4747 3 4 . 4 3 4 4 CYS HB3 H 1 2.98 . . 1 . . . . . . . . 4747 3 5 . 4 3 4 4 CYS C C 13 175.3 . . 1 . . . . . . . . 4747 3 6 . 4 3 4 4 CYS CA C 13 58.63 . . 1 . . . . . . . . 4747 3 7 . 4 3 4 4 CYS CB C 13 28.34 . . 1 . . . . . . . . 4747 3 8 . 4 3 4 4 CYS N N 15 118.8 . . 1 . . . . . . . . 4747 3 9 . 4 3 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 3 10 . 4 3 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 3 stop_ save_ save_chemical_shift_Ac-GGDGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGDGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 4 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 . 5 4 4 4 ASP H H 1 8.56 . . 1 . . . . . . . . 4747 4 2 . 5 4 4 4 ASP HA H 1 4.82 . . 1 . . . . . . . . 4747 4 3 . 5 4 4 4 ASP HB2 H 1 2.98 . . 1 . . . . . . . . 4747 4 4 . 5 4 4 4 ASP HB3 H 1 2.91 . . 1 . . . . . . . . 4747 4 5 . 5 4 4 4 ASP C C 13 175.9 . . 1 . . . . . . . . 4747 4 6 . 5 4 4 4 ASP CA C 13 52.99 . . 1 . . . . . . . . 4747 4 7 . 5 4 4 4 ASP CB C 13 38.33 . . 1 . . . . . . . . 4747 4 8 . 5 4 4 4 ASP CG C 13 177.4 . . 1 . . . . . . . . 4747 4 9 . 5 4 4 4 ASP N N 15 119.1 . . 1 . . . . . . . . 4747 4 10 . 5 4 7 7 NH2 HN1 H 1 7.51 . . 1 . . . . . . . . 4747 4 11 . 5 4 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 4 stop_ save_ save_chemical_shift_Ac-GGEGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGEGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 5 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 . 6 5 4 4 GLU H H 1 8.4 . . 1 . . . . . . . . 4747 5 2 . 6 5 4 4 GLU HA H 1 4.42 . . 1 . . . . . . . . 4747 5 3 . 6 5 4 4 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 4747 5 4 . 6 5 4 4 GLU HB3 H 1 2.01 . . 1 . . . . . . . . 4747 5 5 . 6 5 4 4 GLU HG2 H 1 2.5 . . 1 . . . . . . . . 4747 5 6 . 6 5 4 4 GLU HG3 H 1 2.5 . . 1 . . . . . . . . 4747 5 7 . 6 5 4 4 GLU C C 13 176.8 . . 1 . . . . . . . . 4747 5 8 . 6 5 4 4 GLU CA C 13 56.09 . . 1 . . . . . . . . 4747 5 9 . 6 5 4 4 GLU CB C 13 28.88 . . 1 . . . . . . . . 4747 5 10 . 6 5 4 4 GLU CG C 13 32.88 . . 1 . . . . . . . . 4747 5 11 . 6 5 4 4 GLU CD C 13 180 . . 1 . . . . . . . . 4747 5 12 . 6 5 4 4 GLU N N 15 120.2 . . 1 . . . . . . . . 4747 5 13 . 6 5 7 7 NH2 HN1 H 1 7.52 . . 1 . . . . . . . . 4747 5 14 . 6 5 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 5 stop_ save_ save_chemical_shift_Ac-GGFGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGFGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 6 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 . 7 6 4 4 PHE H H 1 8.31 . . 1 . . . . . . . . 4747 6 2 . 7 6 4 4 PHE HA H 1 4.65 . . 1 . . . . . . . . 4747 6 3 . 7 6 4 4 PHE HB2 H 1 3.19 . . 1 . . . . . . . . 4747 6 4 . 7 6 4 4 PHE HB3 H 1 3.04 . . 1 . . . . . . . . 4747 6 5 . 7 6 4 4 PHE HD1 H 1 7.28 . . 1 . . . . . . . . 4747 6 6 . 7 6 4 4 PHE HE1 H 1 7.38 . . 1 . . . . . . . . 4747 6 7 . 7 6 4 4 PHE HZ H 1 7.33 . . 1 . . . . . . . . 4747 6 8 . 7 6 4 4 PHE HE2 H 1 7.38 . . 1 . . . . . . . . 4747 6 9 . 7 6 4 4 PHE HD2 H 1 7.28 . . 1 . . . . . . . . 4747 6 10 . 7 6 4 4 PHE C C 13 176.6 . . 1 . . . . . . . . 4747 6 11 . 7 6 4 4 PHE CA C 13 58.09 . . 1 . . . . . . . . 4747 6 12 . 7 6 4 4 PHE CB C 13 39.75 . . 1 . . . . . . . . 4747 6 13 . 7 6 4 4 PHE CG C 13 139.2 . . 1 . . . . . . . . 4747 6 14 . 7 6 4 4 PHE CD1 C 13 132 . . 1 . . . . . . . . 4747 6 15 . 7 6 4 4 PHE CE1 C 13 131.5 . . 1 . . . . . . . . 4747 6 16 . 7 6 4 4 PHE CZ C 13 130 . . 1 . . . . . . . . 4747 6 17 . 7 6 4 4 PHE CE2 C 13 131.5 . . 1 . . . . . . . . 4747 6 18 . 7 6 4 4 PHE CD2 C 13 132 . . 1 . . . . . . . . 4747 6 19 . 7 6 4 4 PHE N N 15 120.7 . . 1 . . . . . . . . 4747 6 20 . 7 6 7 7 NH2 HN1 H 1 7.51 . . 1 . . . . . . . . 4747 6 21 . 7 6 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 6 stop_ save_ save_chemical_shift_Ac-GGGGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGGGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 7 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 . 8 7 4 4 GLY H H 1 8.41 . . 1 . . . . . . . . 4747 7 2 . 8 7 4 4 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4747 7 3 . 8 7 4 4 GLY C C 13 174.9 . . 1 . . . . . . . . 4747 7 4 . 8 7 4 4 GLY CA C 13 45.39 . . 1 . . . . . . . . 4747 7 5 . 8 7 4 4 GLY N N 15 107.5 . . 1 . . . . . . . . 4747 7 6 . 8 7 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 7 7 . 8 7 7 7 NH2 HN2 H 1 7.15 . . 1 . . . . . . . . 4747 7 stop_ save_ save_chemical_shift_Ac-GGHGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGHGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 8 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 . 9 8 4 4 HIS H H 1 8.56 . . 1 . . . . . . . . 4747 8 2 . 9 8 4 4 HIS HA H 1 4.79 . . 1 . . . . . . . . 4747 8 3 . 9 8 4 4 HIS HB2 H 1 3.35 . . 1 . . . . . . . . 4747 8 4 . 9 8 4 4 HIS HB3 H 1 3.19 . . 1 . . . . . . . . 4747 8 5 . 9 8 4 4 HIS HE1 H 1 8.61 . . 1 . . . . . . . . 4747 8 6 . 9 8 4 4 HIS HD2 H 1 7.31 . . 1 . . . . . . . . 4747 8 7 . 9 8 4 4 HIS C C 13 175.1 . . 1 . . . . . . . . 4747 8 8 . 9 8 4 4 HIS CA C 13 55.39 . . 1 . . . . . . . . 4747 8 9 . 9 8 4 4 HIS CB C 13 29.12 . . 1 . . . . . . . . 4747 8 10 . 9 8 4 4 HIS CE1 C 13 136.4 . . 1 . . . . . . . . 4747 8 11 . 9 8 4 4 HIS CD2 C 13 120.2 . . 1 . . . . . . . . 4747 8 12 . 9 8 4 4 HIS CG C 13 131.4 . . 1 . . . . . . . . 4747 8 13 . 9 8 4 4 HIS N N 15 118.1 . . 1 . . . . . . . . 4747 8 14 . 9 8 7 7 NH2 HN1 H 1 7.55 . . 1 . . . . . . . . 4747 8 15 . 9 8 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 8 stop_ save_ save_chemical_shift_Ac-GGIGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGIGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 9 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 . 10 9 4 4 ILE H H 1 8.17 . . 1 . . . . . . . . 4747 9 2 . 10 9 4 4 ILE HA H 1 4.21 . . 1 . . . . . . . . 4747 9 3 . 10 9 4 4 ILE HB H 1 1.89 . . 1 . . . . . . . . 4747 9 4 . 10 9 4 4 ILE HG12 H 1 1.48 . . 1 . . . . . . . . 4747 9 5 . 10 9 4 4 ILE HG13 H 1 1.19 . . 1 . . . . . . . . 4747 9 6 . 10 9 4 4 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4747 9 7 . 10 9 4 4 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4747 9 8 . 10 9 4 4 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4747 9 9 . 10 9 4 4 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4747 9 10 . 10 9 4 4 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4747 9 11 . 10 9 4 4 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4747 9 12 . 10 9 4 4 ILE C C 13 177.1 . . 1 . . . . . . . . 4747 9 13 . 10 9 4 4 ILE CA C 13 61.62 . . 1 . . . . . . . . 4747 9 14 . 10 9 4 4 ILE CB C 13 38.91 . . 1 . . . . . . . . 4747 9 15 . 10 9 4 4 ILE CG1 C 13 27.46 . . 1 . . . . . . . . 4747 9 16 . 10 9 4 4 ILE CG2 C 13 17.47 . . 1 . . . . . . . . 4747 9 17 . 10 9 4 4 ILE CD1 C 13 13.16 . . 1 . . . . . . . . 4747 9 18 . 10 9 4 4 ILE N N 15 120.4 . . 1 . . . . . . . . 4747 9 19 . 10 9 7 7 NH2 HN1 H 1 7.52 . . 1 . . . . . . . . 4747 9 20 . 10 9 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 9 stop_ save_ save_chemical_shift_Ac-GGKGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGKGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 10 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 10 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 . 11 10 4 4 LYS H H 1 8.36 . . 1 . . . . . . . . 4747 10 2 . 11 10 4 4 LYS HA H 1 4.36 . . 1 . . . . . . . . 4747 10 3 . 11 10 4 4 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4747 10 4 . 11 10 4 4 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4747 10 5 . 11 10 4 4 LYS HG2 H 1 1.47 . . 1 . . . . . . . . 4747 10 6 . 11 10 4 4 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4747 10 7 . 11 10 4 4 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4747 10 8 . 11 10 4 4 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4747 10 9 . 11 10 4 4 LYS C C 13 177.4 . . 1 . . . . . . . . 4747 10 10 . 11 10 4 4 LYS CA C 13 56.71 . . 1 . . . . . . . . 4747 10 11 . 11 10 4 4 LYS CB C 13 33.21 . . 1 . . . . . . . . 4747 10 12 . 11 10 4 4 LYS CG C 13 25.01 . . 1 . . . . . . . . 4747 10 13 . 11 10 4 4 LYS CD C 13 29.33 . . 1 . . . . . . . . 4747 10 14 . 11 10 4 4 LYS CE C 13 42.35 . . 1 . . . . . . . . 4747 10 15 . 11 10 4 4 LYS N N 15 121.6 . . 1 . . . . . . . . 4747 10 16 . 11 10 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 10 17 . 11 10 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 10 stop_ save_ save_chemical_shift_Ac-GGLGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGLGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 11 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 11 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 . 12 11 4 4 LEU H H 1 8.28 . . 1 . . . . . . . . 4747 11 2 . 12 11 4 4 LEU HA H 1 4.38 . . 1 . . . . . . . . 4747 11 3 . 12 11 4 4 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 4747 11 4 . 12 11 4 4 LEU HB3 H 1 1.62 . . 1 . . . . . . . . 4747 11 5 . 12 11 4 4 LEU HG H 1 1.62 . . 1 . . . . . . . . 4747 11 6 . 12 11 4 4 LEU HD11 H 1 0.93 . . 1 . . . . . . . . 4747 11 7 . 12 11 4 4 LEU HD12 H 1 0.93 . . 1 . . . . . . . . 4747 11 8 . 12 11 4 4 LEU HD13 H 1 0.93 . . 1 . . . . . . . . 4747 11 9 . 12 11 4 4 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 4747 11 10 . 12 11 4 4 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 4747 11 11 . 12 11 4 4 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 4747 11 12 . 12 11 4 4 LEU C C 13 178.2 . . 1 . . . . . . . . 4747 11 13 . 12 11 4 4 LEU CA C 13 55.47 . . 1 . . . . . . . . 4747 11 14 . 12 11 4 4 LEU CB C 13 42.46 . . 1 . . . . . . . . 4747 11 15 . 12 11 4 4 LEU CG C 13 27.11 . . 1 . . . . . . . . 4747 11 16 . 12 11 4 4 LEU CD1 C 13 24.99 . . 1 . . . . . . . . 4747 11 17 . 12 11 4 4 LEU CD2 C 13 23.32 . . 1 . . . . . . . . 4747 11 18 . 12 11 4 4 LEU N N 15 122.4 . . 1 . . . . . . . . 4747 11 19 . 12 11 7 7 NH2 HN1 H 1 7.52 . . 1 . . . . . . . . 4747 11 20 . 12 11 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 11 stop_ save_ save_chemical_shift_Ac-GGMGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGMGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 12 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 12 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 . 13 12 4 4 MET H H 1 8.42 . . 1 . . . . . . . . 4747 12 2 . 13 12 4 4 MET HA H 1 4.52 . . 1 . . . . . . . . 4747 12 3 . 13 12 4 4 MET HB2 H 1 2.15 . . 1 . . . . . . . . 4747 12 4 . 13 12 4 4 MET HB3 H 1 2.03 . . 1 . . . . . . . . 4747 12 5 . 13 12 4 4 MET HG2 H 1 2.63 . . 1 . . . . . . . . 4747 12 6 . 13 12 4 4 MET HG3 H 1 2.64 . . 1 . . . . . . . . 4747 12 7 . 13 12 4 4 MET HE1 H 1 2.11 . . 1 . . . . . . . . 4747 12 8 . 13 12 4 4 MET HE2 H 1 2.11 . . 1 . . . . . . . . 4747 12 9 . 13 12 4 4 MET HE3 H 1 2.11 . . 1 . . . . . . . . 4747 12 10 . 13 12 4 4 MET C C 13 177.1 . . 1 . . . . . . . . 4747 12 11 . 13 12 4 4 MET CA C 13 55.77 . . 1 . . . . . . . . 4747 12 12 . 13 12 4 4 MET CB C 13 32.94 . . 1 . . . . . . . . 4747 12 13 . 13 12 4 4 MET CG C 13 32.25 . . 1 . . . . . . . . 4747 12 14 . 13 12 4 4 MET CE C 13 16.96 . . 1 . . . . . . . . 4747 12 15 . 13 12 4 4 MET N N 15 120.3 . . 1 . . . . . . . . 4747 12 16 . 13 12 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 12 17 . 13 12 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 12 stop_ save_ save_chemical_shift_Ac-GGNGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGNGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 13 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 13 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 . 14 13 4 4 ASN H H 1 8.51 . . 1 . . . . . . . . 4747 13 2 . 14 13 4 4 ASN HA H 1 4.79 . . 1 . . . . . . . . 4747 13 3 . 14 13 4 4 ASN HB2 H 1 2.88 . . 1 . . . . . . . . 4747 13 4 . 14 13 4 4 ASN HB3 H 1 2.81 . . 1 . . . . . . . . 4747 13 5 . 14 13 4 4 ASN HD21 H 1 7.59 . . 1 . . . . . . . . 4747 13 6 . 14 13 4 4 ASN HD22 H 1 7.01 . . 1 . . . . . . . . 4747 13 7 . 14 13 4 4 ASN C C 13 176.1 . . 1 . . . . . . . . 4747 13 8 . 14 13 4 4 ASN CA C 13 53.33 . . 1 . . . . . . . . 4747 13 9 . 14 13 4 4 ASN CB C 13 39.09 . . 1 . . . . . . . . 4747 13 10 . 14 13 4 4 ASN CG C 13 177.3 . . 1 . . . . . . . . 4747 13 11 . 14 13 4 4 ASN N N 15 119 . . 1 . . . . . . . . 4747 13 12 . 14 13 7 7 NH2 HN1 H 1 7.51 . . 1 . . . . . . . . 4747 13 13 . 14 13 7 7 NH2 HN2 H 1 7.18 . . 1 . . . . . . . . 4747 13 stop_ save_ save_chemical_shift_Ac-GGPtGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGPtGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 14 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 14 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 . 15 14 4 4 PRO HA H 1 4.45 . . 1 . . . . . . . . 4747 14 2 . 15 14 4 4 PRO HB2 H 1 2.29 . . 1 . . . . . . . . 4747 14 3 . 15 14 4 4 PRO HB3 H 1 1.99 . . 1 . . . . . . . . 4747 14 4 . 15 14 4 4 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4747 14 5 . 15 14 4 4 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 4747 14 6 . 15 14 4 4 PRO HD2 H 1 3.67 . . 1 . . . . . . . . 4747 14 7 . 15 14 4 4 PRO HD3 H 1 3.61 . . 1 . . . . . . . . 4747 14 8 . 15 14 4 4 PRO C C 13 177.8 . . 1 . . . . . . . . 4747 14 9 . 15 14 4 4 PRO CA C 13 63.7 . . 1 . . . . . . . . 4747 14 10 . 15 14 4 4 PRO CB C 13 32.22 . . 1 . . . . . . . . 4747 14 11 . 15 14 4 4 PRO CG C 13 27.32 . . 1 . . . . . . . . 4747 14 12 . 15 14 4 4 PRO CD C 13 49.81 . . 1 . . . . . . . . 4747 14 13 . 15 14 7 7 NH2 HN1 H 1 7.5 . . 1 . . . . . . . . 4747 14 14 . 15 14 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 14 stop_ save_ save_chemical_shift_Ac-GGPcGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGPcGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 15 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 15 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 . 16 15 4 4 PRO HA H 1 4.6 . . 1 . . . . . . . . 4747 15 2 . 16 15 4 4 PRO HB2 H 1 2.39 . . 1 . . . . . . . . 4747 15 3 . 16 15 4 4 PRO HB3 H 1 2.18 . . 1 . . . . . . . . 4747 15 4 . 16 15 4 4 PRO HG2 H 1 1.95 . . 1 . . . . . . . . 4747 15 5 . 16 15 4 4 PRO HG3 H 1 1.88 . . 1 . . . . . . . . 4747 15 6 . 16 15 4 4 PRO HD2 H 1 3.6 . . 1 . . . . . . . . 4747 15 7 . 16 15 4 4 PRO HD3 H 1 3.54 . . 1 . . . . . . . . 4747 15 8 . 16 15 4 4 PRO CA C 13 63 . . 1 . . . . . . . . 4747 15 9 . 16 15 4 4 PRO CB C 13 34.8 . . 1 . . . . . . . . 4747 15 10 . 16 15 4 4 PRO CG C 13 24.9 . . 1 . . . . . . . . 4747 15 11 . 16 15 4 4 PRO CD C 13 50.4 . . 1 . . . . . . . . 4747 15 stop_ save_ save_chemical_shift_Ac-GGQGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGQGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 16 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 16 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 . 17 16 4 4 GLN H H 1 8.44 . . 1 . . . . . . . . 4747 16 2 . 17 16 4 4 GLN HA H 1 4.38 . . 1 . . . . . . . . 4747 16 3 . 17 16 4 4 GLN HB2 H 1 2.17 . . 1 . . . . . . . . 4747 16 4 . 17 16 4 4 GLN HB3 H 1 2.01 . . 1 . . . . . . . . 4747 16 5 . 17 16 4 4 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 4747 16 6 . 17 16 4 4 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 4747 16 7 . 17 16 4 4 GLN HE21 H 1 7.5 . . 1 . . . . . . . . 4747 16 8 . 17 16 4 4 GLN HE22 H 1 6.91 . . 1 . . . . . . . . 4747 16 9 . 17 16 4 4 GLN C C 13 176.8 . . 1 . . . . . . . . 4747 16 10 . 17 16 4 4 GLN CA C 13 56.22 . . 1 . . . . . . . . 4747 16 11 . 17 16 4 4 GLN CB C 13 29.53 . . 1 . . . . . . . . 4747 16 12 . 17 16 4 4 GLN CG C 13 33.96 . . 1 . . . . . . . . 4747 16 13 . 17 16 4 4 GLN CD C 13 180.5 . . 1 . . . . . . . . 4747 16 14 . 17 16 4 4 GLN N N 15 120.5 . . 1 . . . . . . . . 4747 16 15 . 17 16 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 16 16 . 17 16 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 16 stop_ save_ save_chemical_shift_Ac-GGRGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGRGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 17 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 17 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 . 18 17 4 4 ARG H H 1 8.39 . . 1 . . . . . . . . 4747 17 2 . 18 17 4 4 ARG HA H 1 4.38 . . 1 . . . . . . . . 4747 17 3 . 18 17 4 4 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 4747 17 4 . 18 17 4 4 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4747 17 5 . 18 17 4 4 ARG HG2 H 1 1.68 . . 1 . . . . . . . . 4747 17 6 . 18 17 4 4 ARG HG3 H 1 1.64 . . 1 . . . . . . . . 4747 17 7 . 18 17 4 4 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 4747 17 8 . 18 17 4 4 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 4747 17 9 . 18 17 4 4 ARG HE H 1 7.2 . . 1 . . . . . . . . 4747 17 10 . 18 17 4 4 ARG C C 13 177.1 . . 1 . . . . . . . . 4747 17 11 . 18 17 4 4 ARG CA C 13 56.48 . . 1 . . . . . . . . 4747 17 12 . 18 17 4 4 ARG CB C 13 30.93 . . 1 . . . . . . . . 4747 17 13 . 18 17 4 4 ARG CG C 13 27.33 . . 1 . . . . . . . . 4747 17 14 . 18 17 4 4 ARG CD C 13 43.55 . . 1 . . . . . . . . 4747 17 15 . 18 17 4 4 ARG CZ C 13 159.7 . . 1 . . . . . . . . 4747 17 16 . 18 17 4 4 ARG N N 15 121.2 . . 1 . . . . . . . . 4747 17 17 . 18 17 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 17 18 . 18 17 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 17 stop_ save_ save_chemical_shift_Ac-GGSGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGSGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 18 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 18 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 . 19 18 4 4 SER H H 1 8.43 . . 1 . . . . . . . . 4747 18 2 . 19 18 4 4 SER HA H 1 4.51 . . 1 . . . . . . . . 4747 18 3 . 19 18 4 4 SER HB2 H 1 3.95 . . 1 . . . . . . . . 4747 18 4 . 19 18 4 4 SER HB3 H 1 3.9 . . 1 . . . . . . . . 4747 18 5 . 19 18 4 4 SER C C 13 175.4 . . 1 . . . . . . . . 4747 18 6 . 19 18 4 4 SER CA C 13 58.67 . . 1 . . . . . . . . 4747 18 7 . 19 18 4 4 SER CB C 13 64.06 . . 1 . . . . . . . . 4747 18 8 . 19 18 4 4 SER N N 15 115.5 . . 1 . . . . . . . . 4747 18 9 . 19 18 7 7 NH2 HN1 H 1 7.52 . . 1 . . . . . . . . 4747 18 10 . 19 18 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 18 stop_ save_ save_chemical_shift_Ac-GGTGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGTGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 19 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 19 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 . 20 19 4 4 THR H H 1 8.25 . . 1 . . . . . . . . 4747 19 2 . 20 19 4 4 THR HA H 1 4.43 . . 1 . . . . . . . . 4747 19 3 . 20 19 4 4 THR HB H 1 4.33 . . 1 . . . . . . . . 4747 19 4 . 20 19 4 4 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4747 19 5 . 20 19 4 4 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4747 19 6 . 20 19 4 4 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4747 19 7 . 20 19 4 4 THR C C 13 175.6 . . 1 . . . . . . . . 4747 19 8 . 20 19 4 4 THR CA C 13 62.01 . . 1 . . . . . . . . 4747 19 9 . 20 19 4 4 THR CB C 13 70.01 . . 1 . . . . . . . . 4747 19 10 . 20 19 4 4 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4747 19 11 . 20 19 4 4 THR N N 15 112 . . 1 . . . . . . . . 4747 19 12 . 20 19 7 7 NH2 HN1 H 1 7.53 . . 1 . . . . . . . . 4747 19 13 . 20 19 7 7 NH2 HN2 H 1 7.16 . . 1 . . . . . . . . 4747 19 stop_ save_ save_chemical_shift_Ac-GGVGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGVGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 20 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 20 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 . 21 20 4 4 VAL H H 1 8.16 . . 1 . . . . . . . . 4747 20 2 . 21 20 4 4 VAL HA H 1 4.16 . . 1 . . . . . . . . 4747 20 3 . 21 20 4 4 VAL HB H 1 2.11 . . 1 . . . . . . . . 4747 20 4 . 21 20 4 4 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4747 20 5 . 21 20 4 4 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4747 20 6 . 21 20 4 4 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4747 20 7 . 21 20 4 4 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4747 20 8 . 21 20 4 4 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4747 20 9 . 21 20 4 4 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4747 20 10 . 21 20 4 4 VAL C C 13 177 . . 1 . . . . . . . . 4747 20 11 . 21 20 4 4 VAL CA C 13 62.61 . . 1 . . . . . . . . 4747 20 12 . 21 20 4 4 VAL CB C 13 32.82 . . 1 . . . . . . . . 4747 20 13 . 21 20 4 4 VAL CG1 C 13 21.11 . . 1 . . . . . . . . 4747 20 14 . 21 20 4 4 VAL CG2 C 13 20.34 . . 1 . . . . . . . . 4747 20 15 . 21 20 4 4 VAL N N 15 119.3 . . 1 . . . . . . . . 4747 20 16 . 21 20 7 7 NH2 HN1 H 1 7.52 . . 1 . . . . . . . . 4747 20 17 . 21 20 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 20 stop_ save_ save_chemical_shift_Ac-GGWGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGWGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 21 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 21 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 . 22 21 4 4 TRP H H 1 8.22 . . 1 . . . . . . . . 4747 21 2 . 22 21 4 4 TRP HA H 1 4.7 . . 1 . . . . . . . . 4747 21 3 . 22 21 4 4 TRP HB2 H 1 3.34 . . 1 . . . . . . . . 4747 21 4 . 22 21 4 4 TRP HB3 H 1 3.25 . . 1 . . . . . . . . 4747 21 5 . 22 21 4 4 TRP HE1 H 1 10.63 . . 1 . . . . . . . . 4747 21 6 . 22 21 4 4 TRP HD1 H 1 7.28 . . 1 . . . . . . . . 4747 21 7 . 22 21 4 4 TRP HE3 H 1 7.65 . . 1 . . . . . . . . 4747 21 8 . 22 21 4 4 TRP HZ3 H 1 7.18 . . 1 . . . . . . . . 4747 21 9 . 22 21 4 4 TRP HH2 H 1 7.26 . . 1 . . . . . . . . 4747 21 10 . 22 21 4 4 TRP HZ2 H 1 7.51 . . 1 . . . . . . . . 4747 21 11 . 22 21 4 4 TRP C C 13 177.1 . . 1 . . . . . . . . 4747 21 12 . 22 21 4 4 TRP CA C 13 57.6 . . 1 . . . . . . . . 4747 21 13 . 22 21 4 4 TRP CB C 13 29.75 . . 1 . . . . . . . . 4747 21 14 . 22 21 4 4 TRP CD1 C 13 127.4 . . 1 . . . . . . . . 4747 21 15 . 22 21 4 4 TRP CG C 13 111.7 . . 1 . . . . . . . . 4747 21 16 . 22 21 4 4 TRP CE3 C 13 122.2 . . 1 . . . . . . . . 4747 21 17 . 22 21 4 4 TRP CZ3 C 13 124.8 . . 1 . . . . . . . . 4747 21 18 . 22 21 4 4 TRP CH2 C 13 121.1 . . 1 . . . . . . . . 4747 21 19 . 22 21 4 4 TRP CZ2 C 13 114.8 . . 1 . . . . . . . . 4747 21 20 . 22 21 4 4 TRP CE2 C 13 139 . . 1 . . . . . . . . 4747 21 21 . 22 21 4 4 TRP CD2 C 13 129.6 . . 1 . . . . . . . . 4747 21 22 . 22 21 4 4 TRP N N 15 122.1 . . 1 . . . . . . . . 4747 21 23 . 22 21 7 7 NH2 HN1 H 1 7.44 . . 1 . . . . . . . . 4747 21 24 . 22 21 7 7 NH2 HN2 H 1 7.14 . . 1 . . . . . . . . 4747 21 stop_ save_ save_chemical_shift_Ac-GGYGG-NH2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_Ac-GGYGG-NH2 _Assigned_chem_shift_list.Entry_ID 4747 _Assigned_chem_shift_list.ID 22 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_GGXGG _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_GGXGG _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '13C-HSQC (natural abundance)' 1 $sample_GGXGG . 4747 22 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 . 23 22 4 4 TYR H H 1 8.26 . . 1 . . . . . . . . 4747 22 2 . 23 22 4 4 TYR HA H 1 4.58 . . 1 . . . . . . . . 4747 22 3 . 23 22 4 4 TYR HB2 H 1 3.09 . . 1 . . . . . . . . 4747 22 4 . 23 22 4 4 TYR HB3 H 1 2.97 . . 1 . . . . . . . . 4747 22 5 . 23 22 4 4 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 4747 22 6 . 23 22 4 4 TYR HE1 H 1 6.86 . . 1 . . . . . . . . 4747 22 7 . 23 22 4 4 TYR HE2 H 1 6.86 . . 1 . . . . . . . . 4747 22 8 . 23 22 4 4 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 4747 22 9 . 23 22 4 4 TYR C C 13 176.7 . . 1 . . . . . . . . 4747 22 10 . 23 22 4 4 TYR CA C 13 58.28 . . 1 . . . . . . . . 4747 22 11 . 23 22 4 4 TYR CB C 13 38.94 . . 1 . . . . . . . . 4747 22 12 . 23 22 4 4 TYR CG C 13 130.8 . . 1 . . . . . . . . 4747 22 13 . 23 22 4 4 TYR CD1 C 13 133.3 . . 1 . . . . . . . . 4747 22 14 . 23 22 4 4 TYR CE1 C 13 118.3 . . 1 . . . . . . . . 4747 22 15 . 23 22 4 4 TYR CZ C 13 157.5 . . 1 . . . . . . . . 4747 22 16 . 23 22 4 4 TYR CE2 C 13 118.3 . . 1 . . . . . . . . 4747 22 17 . 23 22 4 4 TYR CD2 C 13 133.3 . . 1 . . . . . . . . 4747 22 18 . 23 22 4 4 TYR N N 15 120.9 . . 1 . . . . . . . . 4747 22 19 . 23 22 7 7 NH2 HN1 H 1 7.5 . . 1 . . . . . . . . 4747 22 20 . 23 22 7 7 NH2 HN2 H 1 7.17 . . 1 . . . . . . . . 4747 22 stop_ save_