data_6203 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6203 _Entry.Title ; 1H chemical shift assignments for ThrB12-DKP-insulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-05-10 _Entry.Accession_date 2004-05-10 _Entry.Last_release_date 2004-05-10 _Entry.Original_release_date 2004-05-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Huang . . . . 6203 2 B. Xu . . . . 6203 3 S. Hu . Q. . . 6203 4 Y. Chu . C. . . 6203 5 Q. Hua . X. . . 6203 6 J. Whittaker . . . . 6203 7 S. Nakagawa . H. . . 6203 8 P. DeMeyts . . . . 6203 9 P. Katsoyannis . G. . . 6203 10 M. Weiss . A. . . 6203 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6203 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 329 6203 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-08-06 . original BMRB . 6203 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6204 AlaB12-DKP-insulin 6203 BMRB 6205 AbaB12-DKP-insulin 6203 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6203 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _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 529 _Citation.Page_last 550 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Huang . . . . 6203 1 2 B. Xu . . . . 6203 1 3 S. Hu . Q. . . 6203 1 4 Y. Chu . C. . . 6203 1 5 Q. Hua . X. . . 6203 1 6 Y. Qu . . . . 6203 1 7 B. Li . . . . 6203 1 8 S. Wang . . . . 6203 1 9 R. Wang . Y. . . 6203 1 10 S. Nakagawa . H. . . 6203 1 11 A. Theede . M. . . 6203 1 12 J. Whittaker . . . . 6203 1 13 P. 'De Meyts' . . . . 6203 1 14 P. Katsoyannis . G. . . 6203 1 15 M. Weiss . A. . . 6203 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Thr-B12-DKP-insulin 6203 1 'insulin receptor' 6203 1 'protein unfolding' 6203 1 'receptor binding' 6203 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_DKP-HI _Assembly.Sf_category assembly _Assembly.Sf_framecode DKP-HI _Assembly.Entry_ID 6203 _Assembly.ID 1 _Assembly.Name 'insulin analogue' _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 'all 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 6203 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 'insulin analogue chain A' 1 $DKP_HI_A . . . native . . . . . 6203 1 2 'insulin analogue chain B' 2 $DKP_HI_B . . . native . . . . . 6203 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_asym_ID_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_asym_ID_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 . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 11 11 SG . . . . . . . . . . . . 6203 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 2 . 2 CYS 7 7 SG . . . . . . . . . . . . 6203 1 3 disulfide single . 1 . 1 CYS 20 20 SG . 2 . 2 CYS 19 19 SG . . . . . . . . . . . . 6203 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1T1P . . . . . . 6203 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DKP-HI abbreviation 6203 1 'insulin analogue' system 6203 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DKP_HI_A _Entity.Sf_category entity _Entity.Sf_framecode DKP_HI_A _Entity.Entry_ID 6203 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ThrB12-DKP-insulin, chain A' _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 ; GIVEQCCTSICSLYQLENYC N ; _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . BMRB 1000 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1002 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1004 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1006 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1008 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1010 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1012 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1014 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1016 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1018 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1020 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1022 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1023 . 'insulin B chain' . . . . . 95.24 42 100.00 100.00 1.97e-02 . . . . 6203 1 . . BMRB 11016 . 'Chain A' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1344 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 15464 . entity_1 . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1585 . 'insulin A chain' . . . . . 95.24 20 100.00 100.00 2.46e-02 . . . . 6203 1 . . BMRB 1587 . 'insulin A chain' . . . . . 95.24 20 100.00 100.00 2.46e-02 . . . . 6203 1 . . BMRB 1632 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 1761 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 4266 . [D-AlaB26]destetra(B27-B30)insulin-B26-amide . . . . . 100.00 47 100.00 100.00 3.04e-03 . . . . 6203 1 . . BMRB 4997 . Insulin . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 554 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 556 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 6204 . 'AlaB12-DKP-insulin, chain A' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 6205 . 'AbaB12-DKP-insulin, chain A' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 936 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 994 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 996 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . BMRB 998 . 'insulin A chain' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1A7F . 'Insulin Mutant B16 Glu, B24 Gly, Des-B30, Nmr, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1AI0 . 'R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1AIY . 'R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B17 . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.00 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B18 . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.53 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B19 . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.80 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2A . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.00 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2B . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.16 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2C . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.26 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2D . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.35 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2E . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.50 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2F . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.98 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B2G . 'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 9.00 Coordinates)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1B9E . 'Human Insulin Mutant Serb9glu' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1BEN . 'Insulin Complexed With 4-Hydroxybenzamide' . . . . . 95.24 21 100.00 100.00 2.46e-02 . . . . 6203 1 . . PDB 1BZV . '[d-Alab26]-Des(B27-B30)-Insulin-B26-Amide A Superpotent Single-Replacement Insulin Analogue, Nmr, Minimized Average Structure' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1DEI . 'Desheptapeptide (B24-B30) Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1EFE . 'An Active Mini-Proinsulin, M2pi' . . . . . 100.00 60 100.00 100.00 2.27e-03 . . . . 6203 1 . . PDB 1EV3 . 'Structure Of The Rhombohedral Form Of The M-CresolINSULIN R6 Hexamer' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1EV6 . 'Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1EVR . 'The Structure Of The ResorcinolINSULIN R6 HEXAMER' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1FU2 . 'First Protein Structure Determined From X-Ray Powder Diffraction Data' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1FUB . 'First Protein Structure Determined From X-Ray Powder Diffraction Data' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1G7A . '1.2 A Structure Of T3r3 Human Insulin At 100 K' . . . . . 95.24 21 100.00 100.00 2.46e-02 . . . . 6203 1 . . PDB 1GUJ . 'Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation.' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HIQ . 'Paradoxical Structure And Function In A Mutant Human Insulin Associated With Diabetes Mellitus' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HIS . 'Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HIT . 'Receptor Binding Redefined By A Structural Switch In A Mutant Human Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HLS . 'Nmr Structure Of The Human Insulin-His(B16)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HTV . 'Crystal Structure Of Destripeptide (B28-B30) Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1HUI . 'Insulin Mutant (B1, B10, B16, B27)glu, Des-B30, Nmr, 25 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1IZA . 'Role Of B13 Glu In Insulin Assembly: The Hexamer Structure Of Recombinant Mutant (B13 Glu-> Gln) Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1IZB . 'Role Of B13 Glu In Insulin Assembly: The Hexamer Structure Of Recombinant Mutant (B13 Glu-> Gln) Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1JCO . 'Solution Structure Of The Monomeric [thr(B27)->pro,Pro(B28)- >thr] Insulin Mutant (Pt Insulin)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1LPH . 'Lys(B28)pro(B29)-Human Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1M5A . 'Crystal Structure Of 2-Co(2+)-Insulin At 1.2a Resolution' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1MHJ . ; Solution Structure Of The Superactive Monomeric Des- [phe(B25)] Human Insulin Mutant. Elucidation Of The Structural Basis For The Monomerization Of The Des- [phe(B25)] Insulin And The Dimerization Of Native Insulin ; . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1MPJ . ; X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol ; . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1OS3 . 'Dehydrated T6 Human Insulin At 100 K' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1OS4 . 'Dehydrated T6 Human Insulin At 295 K' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1QIY . 'Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Phenol' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1QIZ . 'Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Resorcinol' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1QJ0 . 'Human Insulin Hexamers With Chain B His Mutated To Tyr' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1SDB . 'Porcine Desb1-2 Despentapeptide(B26-B30) Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1SF1 . 'Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1SJT . 'Mini-Proinsulin, Two Chain Insulin Analog Mutant: Des B30, His(B 10)asp, Pro(B 28)asp, Nmr, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1SJU . ; Mini-Proinsulin, Single Chain Insulin Analog Mutant: Des B30, His(B 10)asp, Pro(B 28)asp And Peptide Bond Between Lys B 29 And Gly A 1, Nmr, 20 Structures ; . . . . . 100.00 50 100.00 100.00 3.11e-03 . . . . 6203 1 . . PDB 1T1K . 'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Ala, Pro-B28-Lys, Lys-B29-Pro, 15 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1T1P . 'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Thr, Pro-B28-Lys, Lys-B29-Pro, 15 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1T1Q . 'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Aba, Pro-B28-Lys, Lys-B29-Pro, 15 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1TRZ . 'Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1TYL . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1TYM . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1UZ9 . 'Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins.' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1W8P . 'Structural Properties Of The B25tyr-Nme-B26phe Insulin Mutant.' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1WAV . 'Crystal Structure Of Form B Monoclinic Crystal Of Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1XDA . 'Structure Of Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1XGL . 'Human Insulin Disulfide Isomer, Nmr, 10 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1ZEG . 'Structure Of B28 Asp Insulin In Complex With Phenol' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1ZEH . 'Structure Of Insulin' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1ZEI . 'Cross-Linked B28 Asp Insulin' . . . . . 100.00 53 100.00 100.00 2.36e-03 . . . . 6203 1 . . PDB 1ZNI . Insulin . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 1ZNJ . 'Insulin, Monoclinic Crystal Form' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2AIY . 'R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2C8Q . 'Insuline(1sec) And Uv Laser Excited Fluorescence' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2C8R . 'Insuline(60sec) And Uv Laser Excited Fluorescence' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2CEU . 'Despentapeptide Insulin In Acetic Acid (Ph 2)' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2G4M . 'Insulin Collected At 2.0 A Wavelength' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2H67 . 'Nmr Structure Of Human Insulin Mutant His-B5-Ala, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2HH4 . 'Nmr Structure Of Human Insulin Mutant Gly-B8-D-Ser, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2HHO . 'Nmr Structure Of Human Insulin Mutant Gly-B8-Ser, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2HIU . 'Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2JMN . 'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Pro-B28- Lys, Lys-B29-Pro, 20 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2JV1 . 'Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OLY . 'Structure Of Human Insulin In Presence Of Urea At Ph 7.0' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OLZ . 'Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OM0 . 'Structure Of Human Insulin In Presence Of Urea At Ph 6.5' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OM1 . 'Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OMG . 'Structure Of Human Insulin Cocrystallized With Protamine And Urea' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OMH . 'Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2OMI . 'Structure Of Human Insulin Cocrystallized With Protamine' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 2QIU . 'Structure Of Human Arg-Insulin' . . . . . 100.00 22 100.00 100.00 4.10e-03 . . . . 6203 1 . . PDB 2TCI . ; X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol ; . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 3AIY . 'R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 3BXQ . 'The Structure Of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block To The Tr Transition' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 3MTH . ; X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol ; . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 4AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 4INS . 'The Structure Of 2zn Pig Insulin Crystals At 1.5 Angstroms Resolution' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 5AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 6INS . 'X-Ray Analysis Of The Single Chain B29-A1 Peptide-Linked Insulin Molecule. A Completely Inactive Analogue' . . . . . 100.00 50 100.00 100.00 3.11e-03 . . . . 6203 1 . . PDB 7INS . 'Structure Of Porcine Insulin Cocrystallized With Clupeine Z' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PDB 9INS . 'Monovalent Cation Binding In Cubic Insulin Crystals' . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . EMBL CAA23424 . 'unnamed protein product [synthetic construct]' . . . . . 100.00 87 100.00 100.00 1.29e-03 . . . . 6203 1 . . EMBL CAA23475 . 'preproinsulin [Canis sp.]' . . . . . 100.00 110 100.00 100.00 8.40e-04 . . . . 6203 1 . . EMBL CAA23828 . 'preproinsulin [Homo sapiens]' . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . EMBL CAA43403 . 'Preproinsulin [Pan troglodytes]' . . . . . 100.00 110 100.00 100.00 7.79e-04 . . . . 6203 1 . . EMBL CAA43405 . 'Preproinsulin [Chlorocebus aethiops]' . . . . . 100.00 110 100.00 100.00 8.40e-04 . . . . 6203 1 . . GenBank AAA17540 . insulin . . . . . 100.00 55 100.00 100.00 1.35e-03 . . . . 6203 1 . . GenBank AAA19033 . insulin . . . . . 100.00 110 100.00 100.00 8.33e-04 . . . . 6203 1 . . GenBank AAA36849 . preproinsulin . . . . . 100.00 110 100.00 100.00 7.99e-04 . . . . 6203 1 . . GenBank AAA59172 . 'insulin [Homo sapiens]' . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . GenBank AAA59173 . 'insulin [Homo sapiens]' . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . PRF 0601246A . insulin,prepro . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . PRF 1006230A . insulin,pro- . . . . . 100.00 86 100.00 100.00 1.29e-03 . . . . 6203 1 . . PRF 550086A . insulin . . . . . 100.00 51 100.00 100.00 2.86e-03 . . . . 6203 1 . . PRF 560164B . insulin . . . . . 100.00 21 100.00 100.00 4.53e-03 . . . . 6203 1 . . PRF 580107B . insulin . . . . . 100.00 50 100.00 100.00 2.77e-03 . . . . 6203 1 . . REF NP_000198 . 'proinsulin precursor [Homo sapiens]' . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . REF NP_001008996 . 'proinsulin precursor [Pan troglodytes]' . . . . . 100.00 110 100.00 100.00 7.79e-04 . . . . 6203 1 . . REF NP_001075804 . 'insulin [Oryctolagus cuniculus]' . . . . . 100.00 110 100.00 100.00 8.33e-04 . . . . 6203 1 . . REF NP_001103242 . 'insulin [Sus scrofa]' . . . . . 100.00 108 100.00 100.00 1.13e-03 . . . . 6203 1 . . REF NP_001123565 . 'proinsulin [Canis lupus familiaris]' . . . . . 100.00 110 100.00 100.00 8.40e-04 . . . . 6203 1 . . SWISS-PROT P01308 . 'Insulin precursor [Contains: Insulin B chain; Insulin A chain]' . . . . . 100.00 110 100.00 100.00 1.16e-03 . . . . 6203 1 . . SWISS-PROT P01311 . 'Insulin precursor [Contains: Insulin B chain; Insulin A chain]' . . . . . 100.00 110 100.00 100.00 8.33e-04 . . . . 6203 1 . . SWISS-PROT P01315 . 'Insulin precursor [Contains: Insulin B chain; Insulin A chain]' . . . . . 100.00 108 100.00 100.00 1.13e-03 . . . . 6203 1 . . SWISS-PROT P01321 . 'Insulin precursor [Contains: Insulin B chain; Insulin A chain]' . . . . . 100.00 110 100.00 100.00 8.40e-04 . . . . 6203 1 . . SWISS-PROT P30406 . 'Insulin precursor [Contains: Insulin B chain; Insulin A chain]' . . . . . 100.00 110 100.00 100.00 7.99e-04 . . . . 6203 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DKP_HI_A abbreviation 6203 1 'Thr-B12-Val, Asp-B10-His, Lys-B28-Pro, Pro-B29-Lys insulin' variant 6203 1 'ThrB12-DKP-insulin, chain A' common 6203 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 . GLY . 6203 1 2 . ILE . 6203 1 3 . VAL . 6203 1 4 . GLU . 6203 1 5 . GLN . 6203 1 6 . CYS . 6203 1 7 . CYS . 6203 1 8 . THR . 6203 1 9 . SER . 6203 1 10 . ILE . 6203 1 11 . CYS . 6203 1 12 . SER . 6203 1 13 . LEU . 6203 1 14 . TYR . 6203 1 15 . GLN . 6203 1 16 . LEU . 6203 1 17 . GLU . 6203 1 18 . ASN . 6203 1 19 . TYR . 6203 1 20 . CYS . 6203 1 21 . ASN . 6203 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6203 1 . ILE 2 2 6203 1 . VAL 3 3 6203 1 . GLU 4 4 6203 1 . GLN 5 5 6203 1 . CYS 6 6 6203 1 . CYS 7 7 6203 1 . THR 8 8 6203 1 . SER 9 9 6203 1 . ILE 10 10 6203 1 . CYS 11 11 6203 1 . SER 12 12 6203 1 . LEU 13 13 6203 1 . TYR 14 14 6203 1 . GLN 15 15 6203 1 . LEU 16 16 6203 1 . GLU 17 17 6203 1 . ASN 18 18 6203 1 . TYR 19 19 6203 1 . CYS 20 20 6203 1 . ASN 21 21 6203 1 stop_ save_ save_DKP_HI_B _Entity.Sf_category entity _Entity.Sf_framecode DKP_HI_B _Entity.Entry_ID 6203 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'ThrB12-DKP-insulin, chain B' _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 ; FVNQHLCGSDLTEALYLVCG ERGFFYTKPT ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 1T1P . 'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Thr, Pro-B28-Lys, Lys-B29-Pro, 15 Structures' . . . . . 100.00 30 100.00 100.00 1.69e-09 . . . . 6203 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DKP_HI_B abbreviation 6203 2 'Thr-B12-Val, Asp-B10-His, Lys-B28-Pro, Pro-B29-Lys insulin' variant 6203 2 'ThrB12-DKP-insulin, chain B' common 6203 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 . PHE . 6203 2 2 . VAL . 6203 2 3 . ASN . 6203 2 4 . GLN . 6203 2 5 . HIS . 6203 2 6 . LEU . 6203 2 7 . CYS . 6203 2 8 . GLY . 6203 2 9 . SER . 6203 2 10 . ASP . 6203 2 11 . LEU . 6203 2 12 . THR . 6203 2 13 . GLU . 6203 2 14 . ALA . 6203 2 15 . LEU . 6203 2 16 . TYR . 6203 2 17 . LEU . 6203 2 18 . VAL . 6203 2 19 . CYS . 6203 2 20 . GLY . 6203 2 21 . GLU . 6203 2 22 . ARG . 6203 2 23 . GLY . 6203 2 24 . PHE . 6203 2 25 . PHE . 6203 2 26 . TYR . 6203 2 27 . THR . 6203 2 28 . LYS . 6203 2 29 . PRO . 6203 2 30 . THR . 6203 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 . PHE 1 1 6203 2 . VAL 2 2 6203 2 . ASN 3 3 6203 2 . GLN 4 4 6203 2 . HIS 5 5 6203 2 . LEU 6 6 6203 2 . CYS 7 7 6203 2 . GLY 8 8 6203 2 . SER 9 9 6203 2 . ASP 10 10 6203 2 . LEU 11 11 6203 2 . THR 12 12 6203 2 . GLU 13 13 6203 2 . ALA 14 14 6203 2 . LEU 15 15 6203 2 . TYR 16 16 6203 2 . LEU 17 17 6203 2 . VAL 18 18 6203 2 . CYS 19 19 6203 2 . GLY 20 20 6203 2 . GLU 21 21 6203 2 . ARG 22 22 6203 2 . GLY 23 23 6203 2 . PHE 24 24 6203 2 . PHE 25 25 6203 2 . TYR 26 26 6203 2 . THR 27 27 6203 2 . LYS 28 28 6203 2 . PRO 29 29 6203 2 . THR 30 30 6203 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6203 _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 $DKP_HI_A . Human . . 'Homo sapiens' 9606 . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 6203 1 2 2 $DKP_HI_B . Human . . 'Homo sapiens' 9606 . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 6203 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 6203 _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 $DKP_HI_A . 'chemical synthesis' . . . . . . . . . . . . . . . . 6203 1 2 2 $DKP_HI_B . 'chemical synthesis' . . . . . . . . . . . . . . . . 6203 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6203 _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 'ThrB12-DKP-insulin, chain A' . . . 1 $DKP_HI_A . . 1.2 . . mM . . . . 6203 1 2 'ThrB12-DKP-insulin, chain B' . . . 2 $DKP_HI_B . . 1.2 . . mM . . . . 6203 1 3 H2O . . . . . . . 90 . . % . . . . 6203 1 4 D2O . . . . . . . 10 . . % . . . . 6203 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6203 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ThrB12-DKP-insulin, chain A' . . . 1 $DKP_HI_A . . 1.2 . . mM . . . . 6203 2 2 'ThrB12-DKP-insulin, chain B' . . . 2 $DKP_HI_B . . 1.2 . . mM . . . . 6203 2 3 D2O . . . . . . . 100 . . % . . . . 6203 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6203 _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 7.0 0.1 n/a 6203 1 pressure 1 . atm 6203 1 temperature 298 1 K 6203 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6203 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 0.1 n/a 6203 2 pressure 1 . atm 6203 2 temperature 305 1 K 6203 2 stop_ save_ ############################ # Computer software used # ############################ save_DGII _Software.Sf_category software _Software.Sf_framecode DGII _Software.Entry_ID 6203 _Software.ID 1 _Software.Type . _Software.Name DGII _Software.Version 'INSIGHTII 2000' _Software.DOI . _Software.Details 'Molecular Simulations INC.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6203 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6203 _Software.ID 2 _Software.Type . _Software.Name X-PLOR _Software.Version 3.85 _Software.DOI . _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'simulated annealing refinement' 6203 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6203 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6203 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6203 _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_1 Bruker DRX . 800 . . . 6203 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6203 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 6203 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6203 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6203 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6203 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6203 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6203 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6203 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 6203 1 2 '2D TOCSY' 1 $sample_1 . 6203 1 3 DQF-COSY 1 $sample_1 . 6203 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 3.89 0.02 . 1 . . . . . . . . . 6203 1 2 . 1 1 2 2 ILE HB H 1 1.09 0.02 . 1 . . . . . . . . . 6203 1 3 . 1 1 2 2 ILE HG12 H 1 0.83 0.02 . 1 . . . . . . . . . 6203 1 4 . 1 1 2 2 ILE HG13 H 1 0.83 0.02 . 1 . . . . . . . . . 6203 1 5 . 1 1 2 2 ILE HG21 H 1 0.68 0.02 . 1 . . . . . . . . . 6203 1 6 . 1 1 2 2 ILE HG22 H 1 0.68 0.02 . 1 . . . . . . . . . 6203 1 7 . 1 1 2 2 ILE HG23 H 1 0.68 0.02 . 1 . . . . . . . . . 6203 1 8 . 1 1 2 2 ILE HD11 H 1 0.47 0.02 . 1 . . . . . . . . . 6203 1 9 . 1 1 2 2 ILE HD12 H 1 0.47 0.02 . 1 . . . . . . . . . 6203 1 10 . 1 1 2 2 ILE HD13 H 1 0.47 0.02 . 1 . . . . . . . . . 6203 1 11 . 1 1 3 3 VAL H H 1 8.21 0.02 . 1 . . . . . . . . . 6203 1 12 . 1 1 3 3 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . . 6203 1 13 . 1 1 3 3 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . . 6203 1 14 . 1 1 3 3 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . . 6203 1 15 . 1 1 3 3 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . . 6203 1 16 . 1 1 3 3 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . . 6203 1 17 . 1 1 3 3 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . . 6203 1 18 . 1 1 3 3 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . . 6203 1 19 . 1 1 3 3 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . . 6203 1 20 . 1 1 4 4 GLU H H 1 8.32 0.02 . 1 . . . . . . . . . 6203 1 21 . 1 1 4 4 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . . 6203 1 22 . 1 1 4 4 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . . 6203 1 23 . 1 1 4 4 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . . 6203 1 24 . 1 1 4 4 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . . 6203 1 25 . 1 1 4 4 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . . 6203 1 26 . 1 1 5 5 GLN H H 1 8.39 0.02 . 1 . . . . . . . . . 6203 1 27 . 1 1 5 5 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . . 6203 1 28 . 1 1 5 5 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . . 6203 1 29 . 1 1 5 5 GLN HB3 H 1 2.13 0.02 . 2 . . . . . . . . . 6203 1 30 . 1 1 5 5 GLN HG2 H 1 2.34 0.02 . 2 . . . . . . . . . 6203 1 31 . 1 1 5 5 GLN HG3 H 1 2.48 0.02 . 2 . . . . . . . . . 6203 1 32 . 1 1 6 6 CYS H H 1 8.36 0.02 . 1 . . . . . . . . . 6203 1 33 . 1 1 6 6 CYS HA H 1 4.97 0.02 . 1 . . . . . . . . . 6203 1 34 . 1 1 6 6 CYS HB2 H 1 3.34 0.02 . 2 . . . . . . . . . 6203 1 35 . 1 1 6 6 CYS HB3 H 1 2.83 0.02 . 2 . . . . . . . . . 6203 1 36 . 1 1 7 7 CYS H H 1 8.24 0.02 . 1 . . . . . . . . . 6203 1 37 . 1 1 7 7 CYS HA H 1 4.86 0.02 . 1 . . . . . . . . . 6203 1 38 . 1 1 7 7 CYS HB2 H 1 3.75 0.02 . 2 . . . . . . . . . 6203 1 39 . 1 1 7 7 CYS HB3 H 1 3.29 0.02 . 2 . . . . . . . . . 6203 1 40 . 1 1 8 8 THR H H 1 8.04 0.02 . 1 . . . . . . . . . 6203 1 41 . 1 1 8 8 THR HA H 1 4.03 0.02 . 1 . . . . . . . . . 6203 1 42 . 1 1 8 8 THR HB H 1 4.39 0.02 . 1 . . . . . . . . . 6203 1 43 . 1 1 8 8 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . . 6203 1 44 . 1 1 8 8 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . . 6203 1 45 . 1 1 8 8 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . . 6203 1 46 . 1 1 9 9 SER H H 1 7.31 0.02 . 1 . . . . . . . . . 6203 1 47 . 1 1 9 9 SER HA H 1 4.74 0.02 . 1 . . . . . . . . . 6203 1 48 . 1 1 9 9 SER HB2 H 1 3.98 0.02 . 2 . . . . . . . . . 6203 1 49 . 1 1 9 9 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . . 6203 1 50 . 1 1 10 10 ILE H H 1 7.87 0.02 . 1 . . . . . . . . . 6203 1 51 . 1 1 10 10 ILE HA H 1 4.30 0.02 . 1 . . . . . . . . . 6203 1 52 . 1 1 10 10 ILE HB H 1 1.57 0.02 . 1 . . . . . . . . . 6203 1 53 . 1 1 10 10 ILE HG12 H 1 1.11 0.02 . 2 . . . . . . . . . 6203 1 54 . 1 1 10 10 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . . 6203 1 55 . 1 1 10 10 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . . 6203 1 56 . 1 1 10 10 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . . 6203 1 57 . 1 1 10 10 ILE HD11 H 1 0.49 0.02 . 1 . . . . . . . . . 6203 1 58 . 1 1 10 10 ILE HD12 H 1 0.49 0.02 . 1 . . . . . . . . . 6203 1 59 . 1 1 10 10 ILE HD13 H 1 0.49 0.02 . 1 . . . . . . . . . 6203 1 60 . 1 1 11 11 CYS HA H 1 4.96 0.02 . 1 . . . . . . . . . 6203 1 61 . 1 1 11 11 CYS HB2 H 1 3.28 0.02 . 2 . . . . . . . . . 6203 1 62 . 1 1 11 11 CYS HB3 H 1 2.96 0.02 . 2 . . . . . . . . . 6203 1 63 . 1 1 12 12 SER HA H 1 4.63 0.02 . 1 . . . . . . . . . 6203 1 64 . 1 1 12 12 SER HB2 H 1 3.99 0.02 . 2 . . . . . . . . . 6203 1 65 . 1 1 12 12 SER HB3 H 1 4.16 0.02 . 2 . . . . . . . . . 6203 1 66 . 1 1 13 13 LEU H H 1 8.69 0.02 . 1 . . . . . . . . . 6203 1 67 . 1 1 13 13 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . . 6203 1 68 . 1 1 13 13 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . . 6203 1 69 . 1 1 13 13 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . . 6203 1 70 . 1 1 13 13 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . . 6203 1 71 . 1 1 13 13 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 1 72 . 1 1 13 13 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 1 73 . 1 1 13 13 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 1 74 . 1 1 13 13 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . . 6203 1 75 . 1 1 13 13 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . . 6203 1 76 . 1 1 13 13 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . . 6203 1 77 . 1 1 14 14 TYR H H 1 7.66 0.02 . 1 . . . . . . . . . 6203 1 78 . 1 1 14 14 TYR HA H 1 4.31 0.02 . 1 . . . . . . . . . 6203 1 79 . 1 1 14 14 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . . 6203 1 80 . 1 1 14 14 TYR HB3 H 1 3.00 0.02 . 2 . . . . . . . . . 6203 1 81 . 1 1 14 14 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . . 6203 1 82 . 1 1 14 14 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . . 6203 1 83 . 1 1 14 14 TYR HE1 H 1 6.85 0.02 . 1 . . . . . . . . . 6203 1 84 . 1 1 14 14 TYR HE2 H 1 6.85 0.02 . 1 . . . . . . . . . 6203 1 85 . 1 1 15 15 GLN H H 1 7.48 0.02 . 1 . . . . . . . . . 6203 1 86 . 1 1 15 15 GLN HA H 1 3.97 0.02 . 1 . . . . . . . . . 6203 1 87 . 1 1 15 15 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . . 6203 1 88 . 1 1 15 15 GLN HB3 H 1 2.32 0.02 . 2 . . . . . . . . . 6203 1 89 . 1 1 15 15 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . . 6203 1 90 . 1 1 15 15 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . . 6203 1 91 . 1 1 16 16 LEU H H 1 7.85 0.02 . 1 . . . . . . . . . 6203 1 92 . 1 1 16 16 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . . 6203 1 93 . 1 1 16 16 LEU HB2 H 1 1.96 0.02 . 2 . . . . . . . . . 6203 1 94 . 1 1 16 16 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . . 6203 1 95 . 1 1 16 16 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . . 6203 1 96 . 1 1 16 16 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . . 6203 1 97 . 1 1 16 16 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . . 6203 1 98 . 1 1 16 16 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . . 6203 1 99 . 1 1 16 16 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 1 100 . 1 1 16 16 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 1 101 . 1 1 16 16 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 1 102 . 1 1 17 17 GLU H H 1 8.06 0.02 . 1 . . . . . . . . . 6203 1 103 . 1 1 17 17 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . . 6203 1 104 . 1 1 17 17 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . . 6203 1 105 . 1 1 17 17 GLU HB3 H 1 2.02 0.02 . 1 . . . . . . . . . 6203 1 106 . 1 1 17 17 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . . 6203 1 107 . 1 1 17 17 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . . 6203 1 108 . 1 1 18 18 ASN H H 1 7.30 0.02 . 1 . . . . . . . . . 6203 1 109 . 1 1 18 18 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . . 6203 1 110 . 1 1 18 18 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . . 6203 1 111 . 1 1 18 18 ASN HB3 H 1 2.54 0.02 . 2 . . . . . . . . . 6203 1 112 . 1 1 18 18 ASN HD21 H 1 7.22 0.02 . 2 . . . . . . . . . 6203 1 113 . 1 1 18 18 ASN HD22 H 1 6.59 0.02 . 2 . . . . . . . . . 6203 1 114 . 1 1 19 19 TYR H H 1 7.98 0.02 . 1 . . . . . . . . . 6203 1 115 . 1 1 19 19 TYR HA H 1 4.16 0.02 . 1 . . . . . . . . . 6203 1 116 . 1 1 19 19 TYR HB2 H 1 3.48 0.02 . 2 . . . . . . . . . 6203 1 117 . 1 1 19 19 TYR HB3 H 1 2.74 0.02 . 2 . . . . . . . . . 6203 1 118 . 1 1 19 19 TYR HD1 H 1 7.32 0.02 . 1 . . . . . . . . . 6203 1 119 . 1 1 19 19 TYR HD2 H 1 7.32 0.02 . 1 . . . . . . . . . 6203 1 120 . 1 1 19 19 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . . 6203 1 121 . 1 1 19 19 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . . 6203 1 122 . 1 1 20 20 CYS H H 1 7.23 0.02 . 1 . . . . . . . . . 6203 1 123 . 1 1 20 20 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . . 6203 1 124 . 1 1 20 20 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . . 6203 1 125 . 1 1 20 20 CYS HB3 H 1 2.77 0.02 . 2 . . . . . . . . . 6203 1 126 . 1 1 21 21 ASN H H 1 8.02 0.02 . 1 . . . . . . . . . 6203 1 127 . 1 1 21 21 ASN HA H 1 4.48 0.02 . 1 . . . . . . . . . 6203 1 128 . 1 1 21 21 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . . 6203 1 129 . 1 1 21 21 ASN HB3 H 1 2.63 0.02 . 2 . . . . . . . . . 6203 1 130 . 1 1 21 21 ASN HD21 H 1 7.51 0.02 . 2 . . . . . . . . . 6203 1 131 . 1 1 21 21 ASN HD22 H 1 6.50 0.02 . 2 . . . . . . . . . 6203 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 6203 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 6203 2 2 '2D TOCSY' 1 $sample_1 . 6203 2 3 DQF-COSY 1 $sample_1 . 6203 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 PHE HA H 1 4.13 0.02 . 1 . . . . . . . . . 6203 2 2 . 2 2 1 1 PHE HB2 H 1 3.12 0.02 . 1 . . . . . . . . . 6203 2 3 . 2 2 1 1 PHE HB3 H 1 3.12 0.02 . 1 . . . . . . . . . 6203 2 4 . 2 2 1 1 PHE HD1 H 1 7.23 0.02 . 1 . . . . . . . . . 6203 2 5 . 2 2 1 1 PHE HD2 H 1 7.23 0.02 . 1 . . . . . . . . . 6203 2 6 . 2 2 1 1 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . . 6203 2 7 . 2 2 1 1 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . . 6203 2 8 . 2 2 2 2 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . . 6203 2 9 . 2 2 2 2 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . . 6203 2 10 . 2 2 2 2 VAL HG11 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 11 . 2 2 2 2 VAL HG12 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 12 . 2 2 2 2 VAL HG13 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 13 . 2 2 2 2 VAL HG21 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 14 . 2 2 2 2 VAL HG22 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 15 . 2 2 2 2 VAL HG23 H 1 0.89 0.02 . 1 . . . . . . . . . 6203 2 16 . 2 2 3 3 ASN H H 1 8.55 0.02 . 1 . . . . . . . . . 6203 2 17 . 2 2 3 3 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . . 6203 2 18 . 2 2 3 3 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . . 6203 2 19 . 2 2 3 3 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . . 6203 2 20 . 2 2 3 3 ASN HD21 H 1 7.54 0.02 . 2 . . . . . . . . . 6203 2 21 . 2 2 3 3 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . . 6203 2 22 . 2 2 4 4 GLN H H 1 8.24 0.02 . 1 . . . . . . . . . 6203 2 23 . 2 2 4 4 GLN HA H 1 4.47 0.02 . 1 . . . . . . . . . 6203 2 24 . 2 2 4 4 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . . 6203 2 25 . 2 2 4 4 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . . 6203 2 26 . 2 2 4 4 GLN HG2 H 1 2.20 0.02 . 2 . . . . . . . . . 6203 2 27 . 2 2 4 4 GLN HG3 H 1 2.15 0.02 . 2 . . . . . . . . . 6203 2 28 . 2 2 5 5 HIS HA H 1 4.47 0.02 . 1 . . . . . . . . . 6203 2 29 . 2 2 5 5 HIS HB2 H 1 3.52 0.02 . 2 . . . . . . . . . 6203 2 30 . 2 2 5 5 HIS HB3 H 1 3.18 0.02 . 2 . . . . . . . . . 6203 2 31 . 2 2 6 6 LEU H H 1 8.98 0.02 . 1 . . . . . . . . . 6203 2 32 . 2 2 6 6 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . . 6203 2 33 . 2 2 6 6 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . . 6203 2 34 . 2 2 6 6 LEU HB3 H 1 0.85 0.02 . 2 . . . . . . . . . 6203 2 35 . 2 2 6 6 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . . 6203 2 36 . 2 2 6 6 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 37 . 2 2 6 6 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 38 . 2 2 6 6 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 39 . 2 2 6 6 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . . 6203 2 40 . 2 2 6 6 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . . 6203 2 41 . 2 2 6 6 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . . 6203 2 42 . 2 2 7 7 CYS H H 1 8.94 0.02 . 1 . . . . . . . . . 6203 2 43 . 2 2 7 7 CYS HA H 1 4.95 0.02 . 1 . . . . . . . . . 6203 2 44 . 2 2 7 7 CYS HB2 H 1 3.23 0.02 . 2 . . . . . . . . . 6203 2 45 . 2 2 7 7 CYS HB3 H 1 2.96 0.02 . 2 . . . . . . . . . 6203 2 46 . 2 2 8 8 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . . 6203 2 47 . 2 2 8 8 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . . 6203 2 48 . 2 2 9 9 SER H H 1 8.08 0.02 . 1 . . . . . . . . . 6203 2 49 . 2 2 9 9 SER HA H 1 4.32 0.02 . 1 . . . . . . . . . 6203 2 50 . 2 2 9 9 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . . 6203 2 51 . 2 2 9 9 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . . 6203 2 52 . 2 2 10 10 ASP H H 1 8.01 0.02 . 1 . . . . . . . . . 6203 2 53 . 2 2 10 10 ASP HA H 1 4.43 0.02 . 2 . . . . . . . . . 6203 2 54 . 2 2 10 10 ASP HB2 H 1 3.01 0.02 . 2 . . . . . . . . . 6203 2 55 . 2 2 10 10 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . . 6203 2 56 . 2 2 11 11 LEU H H 1 7.06 0.02 . 1 . . . . . . . . . 6203 2 57 . 2 2 11 11 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . . 6203 2 58 . 2 2 11 11 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . . 6203 2 59 . 2 2 11 11 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . . 6203 2 60 . 2 2 11 11 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . . 6203 2 61 . 2 2 11 11 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 2 62 . 2 2 11 11 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 2 63 . 2 2 11 11 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . . 6203 2 64 . 2 2 11 11 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . . 6203 2 65 . 2 2 11 11 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . . 6203 2 66 . 2 2 11 11 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . . 6203 2 67 . 2 2 12 12 THR H H 1 7.25 0.02 . 1 . . . . . . . . . 6203 2 68 . 2 2 12 12 THR HA H 1 3.52 0.02 . 1 . . . . . . . . . 6203 2 69 . 2 2 12 12 THR HB H 1 4.23 0.02 . 1 . . . . . . . . . 6203 2 70 . 2 2 12 12 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . . 6203 2 71 . 2 2 12 12 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . . 6203 2 72 . 2 2 12 12 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . . 6203 2 73 . 2 2 13 13 GLU H H 1 7.97 0.02 . 1 . . . . . . . . . 6203 2 74 . 2 2 13 13 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . . 6203 2 75 . 2 2 13 13 GLU HB2 H 1 2.32 0.02 . 2 . . . . . . . . . 6203 2 76 . 2 2 13 13 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . . 6203 2 77 . 2 2 13 13 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . . 6203 2 78 . 2 2 13 13 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . . 6203 2 79 . 2 2 14 14 ALA H H 1 7.56 0.02 . 1 . . . . . . . . . 6203 2 80 . 2 2 14 14 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . . 6203 2 81 . 2 2 14 14 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . . 6203 2 82 . 2 2 14 14 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . . 6203 2 83 . 2 2 14 14 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . . 6203 2 84 . 2 2 15 15 LEU H H 1 8.04 0.02 . 2 . . . . . . . . . 6203 2 85 . 2 2 15 15 LEU HA H 1 3.68 0.02 . 1 . . . . . . . . . 6203 2 86 . 2 2 15 15 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . . 6203 2 87 . 2 2 15 15 LEU HB3 H 1 0.89 0.02 . 2 . . . . . . . . . 6203 2 88 . 2 2 15 15 LEU HG H 1 1.23 0.02 . 1 . . . . . . . . . 6203 2 89 . 2 2 15 15 LEU HD11 H 1 0.52 0.02 . 2 . . . . . . . . . 6203 2 90 . 2 2 15 15 LEU HD12 H 1 0.52 0.02 . 2 . . . . . . . . . 6203 2 91 . 2 2 15 15 LEU HD13 H 1 0.52 0.02 . 2 . . . . . . . . . 6203 2 92 . 2 2 15 15 LEU HD21 H 1 0.15 0.02 . 2 . . . . . . . . . 6203 2 93 . 2 2 15 15 LEU HD22 H 1 0.15 0.02 . 2 . . . . . . . . . 6203 2 94 . 2 2 15 15 LEU HD23 H 1 0.15 0.02 . 2 . . . . . . . . . 6203 2 95 . 2 2 16 16 TYR H H 1 8.04 0.02 . 1 . . . . . . . . . 6203 2 96 . 2 2 16 16 TYR HA H 1 4.39 0.02 . 1 . . . . . . . . . 6203 2 97 . 2 2 16 16 TYR HB2 H 1 3.19 0.02 . 2 . . . . . . . . . 6203 2 98 . 2 2 16 16 TYR HB3 H 1 3.16 0.02 . 2 . . . . . . . . . 6203 2 99 . 2 2 16 16 TYR HD1 H 1 7.27 0.02 . 1 . . . . . . . . . 6203 2 100 . 2 2 16 16 TYR HD2 H 1 7.27 0.02 . 1 . . . . . . . . . 6203 2 101 . 2 2 16 16 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . . 6203 2 102 . 2 2 16 16 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . . 6203 2 103 . 2 2 17 17 LEU H H 1 7.64 0.02 . 1 . . . . . . . . . 6203 2 104 . 2 2 17 17 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . . 6203 2 105 . 2 2 17 17 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . . 6203 2 106 . 2 2 17 17 LEU HB3 H 1 1.92 0.02 . 2 . . . . . . . . . 6203 2 107 . 2 2 17 17 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 108 . 2 2 17 17 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 109 . 2 2 17 17 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 110 . 2 2 17 17 LEU HD21 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 111 . 2 2 17 17 LEU HD22 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 112 . 2 2 17 17 LEU HD23 H 1 0.94 0.02 . 1 . . . . . . . . . 6203 2 113 . 2 2 18 18 VAL H H 1 8.40 0.02 . 1 . . . . . . . . . 6203 2 114 . 2 2 18 18 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . . 6203 2 115 . 2 2 18 18 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . . 6203 2 116 . 2 2 18 18 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . . 6203 2 117 . 2 2 18 18 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . . 6203 2 118 . 2 2 18 18 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . . 6203 2 119 . 2 2 18 18 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 120 . 2 2 18 18 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 121 . 2 2 18 18 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . . 6203 2 122 . 2 2 19 19 CYS H H 1 8.74 0.02 . 1 . . . . . . . . . 6203 2 123 . 2 2 19 19 CYS HA H 1 4.80 0.02 . 1 . . . . . . . . . 6203 2 124 . 2 2 19 19 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . . 6203 2 125 . 2 2 19 19 CYS HB3 H 1 2.88 0.02 . 2 . . . . . . . . . 6203 2 126 . 2 2 20 20 GLY H H 1 7.81 0.02 . 1 . . . . . . . . . 6203 2 127 . 2 2 20 20 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . . 6203 2 128 . 2 2 20 20 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . . 6203 2 129 . 2 2 21 21 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . . 6203 2 130 . 2 2 21 21 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . . 6203 2 131 . 2 2 21 21 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 6203 2 132 . 2 2 21 21 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . . 6203 2 133 . 2 2 21 21 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . . 6203 2 134 . 2 2 22 22 ARG H H 1 8.19 0.02 . 1 . . . . . . . . . 6203 2 135 . 2 2 22 22 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . . 6203 2 136 . 2 2 22 22 ARG HB2 H 1 2.07 0.02 . 2 . . . . . . . . . 6203 2 137 . 2 2 22 22 ARG HB3 H 1 2.16 0.02 . 2 . . . . . . . . . 6203 2 138 . 2 2 22 22 ARG HG2 H 1 1.86 0.02 . 1 . . . . . . . . . 6203 2 139 . 2 2 22 22 ARG HG3 H 1 1.86 0.02 . 1 . . . . . . . . . 6203 2 140 . 2 2 22 22 ARG HD2 H 1 3.28 0.02 . 2 . . . . . . . . . 6203 2 141 . 2 2 22 22 ARG HD3 H 1 3.31 0.02 . 2 . . . . . . . . . 6203 2 142 . 2 2 23 23 GLY H H 1 7.33 0.02 . 1 . . . . . . . . . 6203 2 143 . 2 2 23 23 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . . 6203 2 144 . 2 2 23 23 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . . 6203 2 145 . 2 2 24 24 PHE H H 1 7.60 0.02 . 1 . . . . . . . . . 6203 2 146 . 2 2 24 24 PHE HA H 1 5.29 0.02 . 1 . . . . . . . . . 6203 2 147 . 2 2 24 24 PHE HB2 H 1 3.17 0.02 . 2 . . . . . . . . . 6203 2 148 . 2 2 24 24 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . . 6203 2 149 . 2 2 24 24 PHE HD1 H 1 6.64 0.02 . 1 . . . . . . . . . 6203 2 150 . 2 2 24 24 PHE HD2 H 1 6.64 0.02 . 1 . . . . . . . . . 6203 2 151 . 2 2 24 24 PHE HE1 H 1 6.87 0.02 . 1 . . . . . . . . . 6203 2 152 . 2 2 24 24 PHE HE2 H 1 6.87 0.02 . 1 . . . . . . . . . 6203 2 153 . 2 2 24 24 PHE HZ H 1 7.04 0.02 . 1 . . . . . . . . . 6203 2 154 . 2 2 25 25 PHE H H 1 8.53 0.02 . 1 . . . . . . . . . 6203 2 155 . 2 2 25 25 PHE HA H 1 4.85 0.02 . 1 . . . . . . . . . 6203 2 156 . 2 2 25 25 PHE HB2 H 1 3.17 0.02 . 2 . . . . . . . . . 6203 2 157 . 2 2 25 25 PHE HB3 H 1 3.23 0.02 . 2 . . . . . . . . . 6203 2 158 . 2 2 25 25 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . . 6203 2 159 . 2 2 25 25 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . . 6203 2 160 . 2 2 25 25 PHE HE1 H 1 7.36 0.02 . 1 . . . . . . . . . 6203 2 161 . 2 2 25 25 PHE HE2 H 1 7.36 0.02 . 1 . . . . . . . . . 6203 2 162 . 2 2 26 26 TYR H H 1 8.26 0.02 . 1 . . . . . . . . . 6203 2 163 . 2 2 26 26 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . . 6203 2 164 . 2 2 26 26 TYR HB2 H 1 3.05 0.02 . 2 . . . . . . . . . 6203 2 165 . 2 2 26 26 TYR HB3 H 1 2.97 0.02 . 2 . . . . . . . . . 6203 2 166 . 2 2 26 26 TYR HD1 H 1 6.96 0.02 . 1 . . . . . . . . . 6203 2 167 . 2 2 26 26 TYR HD2 H 1 6.96 0.02 . 1 . . . . . . . . . 6203 2 168 . 2 2 26 26 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . . 6203 2 169 . 2 2 26 26 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . . 6203 2 170 . 2 2 27 27 THR H H 1 7.85 0.02 . 1 . . . . . . . . . 6203 2 171 . 2 2 27 27 THR HA H 1 4.51 0.02 . 1 . . . . . . . . . 6203 2 172 . 2 2 27 27 THR HB H 1 4.14 0.02 . 2 . . . . . . . . . 6203 2 173 . 2 2 27 27 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . . 6203 2 174 . 2 2 27 27 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . . 6203 2 175 . 2 2 27 27 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . . 6203 2 176 . 2 2 28 28 LYS H H 1 8.44 0.02 . 1 . . . . . . . . . 6203 2 177 . 2 2 28 28 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . . 6203 2 178 . 2 2 28 28 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . . 6203 2 179 . 2 2 28 28 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . . 6203 2 180 . 2 2 28 28 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . . 6203 2 181 . 2 2 28 28 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . . 6203 2 182 . 2 2 28 28 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . . 6203 2 183 . 2 2 28 28 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . . 6203 2 184 . 2 2 28 28 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . . 6203 2 185 . 2 2 28 28 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . . 6203 2 186 . 2 2 29 29 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . . 6203 2 187 . 2 2 29 29 PRO HB2 H 1 1.99 0.02 . 2 . . . . . . . . . 6203 2 188 . 2 2 29 29 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . . 6203 2 189 . 2 2 29 29 PRO HG2 H 1 1.93 0.02 . 1 . . . . . . . . . 6203 2 190 . 2 2 29 29 PRO HG3 H 1 1.93 0.02 . 1 . . . . . . . . . 6203 2 191 . 2 2 29 29 PRO HD2 H 1 3.58 0.02 . 2 . . . . . . . . . 6203 2 192 . 2 2 29 29 PRO HD3 H 1 3.85 0.02 . 2 . . . . . . . . . 6203 2 193 . 2 2 30 30 THR H H 1 7.81 0.02 . 1 . . . . . . . . . 6203 2 194 . 2 2 30 30 THR HA H 1 4.12 0.02 . 1 . . . . . . . . . 6203 2 195 . 2 2 30 30 THR HB H 1 4.22 0.02 . 1 . . . . . . . . . 6203 2 196 . 2 2 30 30 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . . 6203 2 197 . 2 2 30 30 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . . 6203 2 198 . 2 2 30 30 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . . 6203 2 stop_ save_