data_556 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 556 _Entry.Title ; Two-Dimensional NMR and Photo-CIDNP Studies of the Insulin Monomer: Assignment of Aromatic Resonances with Application to Protein Folding, Structure, and Dynamics ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Weiss . A. . 556 2 Dzung Nguyen . T. . 556 3 Igor Khait . . . 556 4 Ken Inouye . . . 556 5 Bruce Frank . H. . 556 6 Michael Beckage . . . 556 7 Erin O'Shea . . . 556 8 Steven Shoelson . E. . 556 9 Martin Karplus . . . 556 10 Leo Neuringer . J. . 556 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 556 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 8 556 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 5 . . 2010-06-11 . revision BMRB 'Complete natural source information' 556 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 556 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 556 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 556 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 556 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 556 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Weiss, Michael A., Nguyen, Dzung T., Khait, Igor, Inouye, Ken, Frank, Bruce H., Beckage, Michael, O'Shea, Erin, Shoelson, Steven E., Karplus, Martin, Neuringer, Leo J., "Two-Dimensional NMR and Photo-CIDNP Studies of the Insulin Monomer: Assignment of Aromatic Resonances with Application to Protein Folding, Structure, and Dynamics," Biochemistry 28, 9855-9873 (1989). ; _Citation.Title ; Two-Dimensional NMR and Photo-CIDNP Studies of the Insulin Monomer: Assignment of Aromatic Resonances with Application to Protein Folding, Structure, and Dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 28 _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 9855 _Citation.Page_last 9873 _Citation.Year 1989 _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 Michael Weiss . A. . 556 1 2 Dzung Nguyen . T. . 556 1 3 Igor Khait . . . 556 1 4 Ken Inouye . . . 556 1 5 Bruce Frank . H. . 556 1 6 Michael Beckage . . . 556 1 7 Erin O'Shea . . . 556 1 8 Steven Shoelson . E. . 556 1 9 Martin Karplus . . . 556 1 10 Leo Neuringer . J. . 556 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_insulin_A_chain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_insulin_A_chain _Assembly.Entry_ID 556 _Assembly.ID 1 _Assembly.Name 'insulin A chain' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'insulin A chain' 1 $insulin_A_chain . . . . . . . . . 556 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'insulin A chain' system 556 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_insulin_A_chain _Entity.Sf_category entity _Entity.Sf_framecode insulin_A_chain _Entity.Entry_ID 556 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'insulin A chain' _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 ; GIVEQCCTSICSLYQLENYC N ; _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 . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1000 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 2 no BMRB 1002 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 3 no BMRB 1004 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 4 no BMRB 1006 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 5 no BMRB 1008 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 6 no BMRB 1010 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 7 no BMRB 1012 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 8 no BMRB 1014 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 9 no BMRB 1016 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 10 no BMRB 1018 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 11 no BMRB 1020 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 12 no BMRB 1022 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 13 no BMRB 1023 . "insulin B chain" . . . . . 95.24 42 100.00 100.00 7.14e-04 . . . . 556 1 14 no BMRB 11016 . "Chain A" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 15 no BMRB 1344 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 16 no BMRB 15464 . "chain A" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 17 no BMRB 1585 . "insulin A chain" . . . . . 95.24 21 100.00 100.00 8.72e-04 . . . . 556 1 18 no BMRB 1587 . "insulin A chain" . . . . . 95.24 21 100.00 100.00 8.72e-04 . . . . 556 1 19 no BMRB 16026 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 20 no BMRB 16027 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 21 no BMRB 1632 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 22 no BMRB 16343 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 23 no BMRB 16608 . Proinsulin . . . . . 100.00 86 100.00 100.00 4.07e-05 . . . . 556 1 24 no BMRB 16663 . "entity, chain 1" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 25 no BMRB 16915 . "entity, chain 1" . . . . . 100.00 22 100.00 100.00 1.10e-04 . . . . 556 1 26 no BMRB 17107 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 27 no BMRB 1761 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 28 no BMRB 17803 . "InsulinGR 1" . . . . . 100.00 22 100.00 100.00 1.10e-04 . . . . 556 1 29 no BMRB 18858 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 30 no BMRB 18859 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 31 no BMRB 18921 . chain_A . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 32 no BMRB 18923 . chain_A . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 33 no BMRB 18924 . chain_A . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 34 no BMRB 18925 . chain_A . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 35 no BMRB 19822 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 36 no BMRB 19978 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 37 no BMRB 19979 . entity . . . . . 100.00 51 100.00 100.00 8.23e-05 . . . . 556 1 38 no BMRB 20052 . Human_Insulin_A-chain_peptide . . . . . 71.43 15 100.00 100.00 3.11e+00 . . . . 556 1 39 no BMRB 20053 . Insulin_A-chain_variant_peptide . . . . . 71.43 17 100.00 100.00 2.24e+00 . . . . 556 1 40 no BMRB 25260 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 41 no BMRB 25261 . entity_1 . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 42 no BMRB 4266 . D-AlaB26_DTI-amide . . . . . 100.00 47 100.00 100.00 7.31e-05 . . . . 556 1 43 no BMRB 554 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 44 no BMRB 936 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 45 no BMRB 994 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 46 no BMRB 996 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 47 no BMRB 998 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 48 no PDB 1A7F . "Insulin Mutant B16 Glu, B24 Gly, Des-B30, Nmr, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 49 no PDB 1AI0 . "R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 50 no PDB 1AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 51 no 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 1.03e-04 . . . . 556 1 52 no 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 1.03e-04 . . . . 556 1 53 no 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 1.03e-04 . . . . 556 1 54 no 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 1.03e-04 . . . . 556 1 55 no 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 1.03e-04 . . . . 556 1 56 no 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 1.03e-04 . . . . 556 1 57 no 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 1.03e-04 . . . . 556 1 58 no 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 1.03e-04 . . . . 556 1 59 no 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 1.03e-04 . . . . 556 1 60 no 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 1.03e-04 . . . . 556 1 61 no PDB 1B9E . "Human Insulin Mutant Serb9glu" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 62 no PDB 1BEN . "Insulin Complexed With 4-Hydroxybenzamide" . . . . . 95.24 21 100.00 100.00 8.72e-04 . . . . 556 1 63 no 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 1.03e-04 . . . . 556 1 64 no PDB 1DEI . "Desheptapeptide (B24-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 65 no PDB 1EFE . "An Active Mini-Proinsulin, M2pi" . . . . . 100.00 60 100.00 100.00 5.91e-05 . . . . 556 1 66 no PDB 1EV3 . "Structure Of The Rhombohedral Form Of The M-cresol/insulin R6 Hexamer" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 67 no PDB 1EV6 . "Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 68 no PDB 1EVR . "The Structure Of The ResorcinolINSULIN R6 HEXAMER" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 69 no PDB 1FU2 . "First Protein Structure Determined From X-Ray Powder Diffraction Data" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 70 no PDB 1FUB . "First Protein Structure Determined From X-Ray Powder Diffraction Data" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 71 no PDB 1G7A . "1.2 A Structure Of T3r3 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 72 no PDB 1G7B . "1.3 A Structure Of T3r3 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 73 no PDB 1GUJ . "Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 74 no PDB 1HIQ . "Paradoxical Structure And Function In A Mutant Human Insulin Associated With Diabetes Mellitus" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 75 no PDB 1HIS . "Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 76 no PDB 1HIT . "Receptor Binding Redefined By A Structural Switch In A Mutant Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 77 no PDB 1HLS . "Nmr Structure Of The Human Insulin-His(B16)" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 78 no PDB 1HTV . "Crystal Structure Of Destripeptide (B28-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 79 no PDB 1HUI . "Insulin Mutant (B1, B10, B16, B27)glu, Des-B30, Nmr, 25 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 80 no 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 1.03e-04 . . . . 556 1 81 no 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 1.03e-04 . . . . 556 1 82 no PDB 1JCO . "Solution Structure Of The Monomeric [thr(B27)->pro,Pro(B28)- >thr] Insulin Mutant (Pt Insulin)" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 83 no PDB 1LPH . "Lys(B28)pro(B29)-Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 84 no PDB 1M5A . "Crystal Structure Of 2-Co(2+)-Insulin At 1.2a Resolution" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 85 no PDB 1MHI . "Three-Dimensional Solution Structure Of An Insulin Dimer. A Study Of The B9(Asp) Mutant Of Human Insulin Using Nuclear Magnetic" . . . . . 95.24 21 100.00 100.00 8.72e-04 . . . . 556 1 86 no PDB 1MHJ . "Solution Structure Of The Superactive Monomeric Des- [phe(B25)] Human Insulin Mutant. Elucidation Of The Structural Basis For T" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 87 no PDB 1MPJ . "X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben An" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 88 no PDB 1MSO . "T6 Human Insulin At 1.0 A Resolution" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 89 no PDB 1OS3 . "Dehydrated T6 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 90 no PDB 1OS4 . "Dehydrated T6 Human Insulin At 295 K" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 91 no PDB 1QIY . "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Phenol" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 92 no PDB 1QIZ . "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Resorcinol" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 93 no PDB 1QJ0 . "Human Insulin Hexamers With Chain B His Mutated To Tyr" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 94 no PDB 1SDB . "Porcine Desb1-2 Despentapeptide(B26-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 95 no PDB 1SF1 . "Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 96 no 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 1.03e-04 . . . . 556 1 97 no 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 " . . . . . 100.00 50 100.00 100.00 7.80e-05 . . . . 556 1 98 no 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 1.03e-04 . . . . 556 1 99 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 21 100.00 100.00 1.03e-04 . . . . 556 1 100 no 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 1.03e-04 . . . . 556 1 101 no PDB 1TRZ . "Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 102 no PDB 1TYL . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 103 no PDB 1TYM . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 104 no PDB 1UZ9 . "Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 105 no PDB 1W8P . "Structural Properties Of The B25tyr-Nme-B26phe Insulin Mutant." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 106 no PDB 1WAV . "Crystal Structure Of Form B Monoclinic Crystal Of Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 107 no PDB 1XDA . "Structure Of Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 108 no PDB 1XGL . "Human Insulin Disulfide Isomer, Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 109 no PDB 1ZEG . "Structure Of B28 Asp Insulin In Complex With Phenol" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 110 no PDB 1ZEH . "Structure Of Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 111 no PDB 1ZEI . "Cross-Linked B28 Asp Insulin" . . . . . 100.00 53 100.00 100.00 5.73e-05 . . . . 556 1 112 no PDB 1ZNI . Insulin . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 113 no PDB 1ZNJ . "Insulin, Monoclinic Crystal Form" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 114 no PDB 2AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 115 no PDB 2C8Q . "Insuline(1sec) And Uv Laser Excited Fluorescence" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 116 no PDB 2C8R . "Insuline(60sec) And Uv Laser Excited Fluorescence" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 117 no PDB 2CEU . "Despentapeptide Insulin In Acetic Acid (Ph 2)" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 118 no PDB 2EFA . "Neutron Crystal Structure Of Cubic Insulin At Pd6.6" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 119 no PDB 2G4M . "Insulin Collected At 2.0 A Wavelength" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 120 no 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 1.03e-04 . . . . 556 1 121 no 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 1.03e-04 . . . . 556 1 122 no 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 1.03e-04 . . . . 556 1 123 no PDB 2HIU . "Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 124 no 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 1.03e-04 . . . . 556 1 125 no PDB 2JV1 . "Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 126 no PDB 2K91 . "Enhancing The Activity Of Insulin By Stereospecific Unfolding" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 127 no PDB 2K9R . "Enhancing The Activity Of Insulin By Stereospecific Unfolding" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 128 no PDB 2KJJ . "Dynamics Of Insulin Probed By 1h-Nmr Amide Proton Exchange A Flexibility Of The Receptor-Binding Surface" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 129 no PDB 2KJU . "Nmr Structure Of Human Insulin Mutant Glu-B21-D-Glu, His-B10 B28-Lys, Lys-B29-Pro, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 130 no PDB 2KQP . "Nmr Structure Of Proinsulin" . . . . . 100.00 86 100.00 100.00 4.07e-05 . . . . 556 1 131 no PDB 2KQQ . "Nmr Structure Of Human Insulin Mutant Gly-B8-D-Ala, His-B10-Asp, Pro- B28-Lys, Lys-B29-Pro, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 132 no PDB 2KXK . "Human Insulin Mutant A22gly-B31lys-B32arg" . . . . . 100.00 22 100.00 100.00 1.10e-04 . . . . 556 1 133 no PDB 2L1Y . "Nmr Structure Of Human Insulin Mutant Gly-B20-D-Ala, Gly-B23-D-Ala Pro-B28-Lys, Lys-B29-Pro, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 134 no PDB 2LGB . "Modified A22gly-B31arg Human Insulin" . . . . . 100.00 22 100.00 100.00 1.10e-04 . . . . 556 1 135 no PDB 2M1D . "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water/acetonitrile Solutions." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 136 no PDB 2M1E . "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water Solutions." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 137 no PDB 2M2M . "Structure Of [l-hisb24] Insulin Analogue At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 138 no PDB 2M2N . "Structure Of [l-hisb24] Insulin Analogue At Ph 8.0" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 139 no PDB 2M2O . "Structure Of [d-hisb24] Insulin Analogue At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 140 no PDB 2M2P . "Structure Of [d-hisb24] Insulin Analogue At Ph 8.0" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 141 no PDB 2MLI . "Nmr Structure Of B25-(alpha, Beta)-dehydro-phenylalanine Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 142 no PDB 2MPG . "Solution Structure Of The [aibb8,lysb28,prob29]-insulin Analogue" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 143 no PDB 2MVC . "Solution Structure Of Human Insulin At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 144 no PDB 2MVD . "Solution Structure Of [glnb22]-insulin Mutant At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 145 no PDB 2OLY . "Structure Of Human Insulin In Presence Of Urea At Ph 7.0" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 146 no PDB 2OLZ . "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 147 no PDB 2OM0 . "Structure Of Human Insulin In Presence Of Urea At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 148 no PDB 2OM1 . "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 149 no PDB 2OMG . "Structure Of Human Insulin Cocrystallized With Protamine And Urea" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 150 no PDB 2OMH . "Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 151 no PDB 2OMI . "Structure Of Human Insulin Cocrystallized With Protamine" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 152 no PDB 2QIU . "Structure Of Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 9.06e-05 . . . . 556 1 153 no PDB 2R34 . "Crystal Structure Of Mn Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 9.06e-05 . . . . 556 1 154 no PDB 2R35 . "Crystal Structure Of Rb Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 9.06e-05 . . . . 556 1 155 no PDB 2R36 . "Crystal Structure Of Ni Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 9.06e-05 . . . . 556 1 156 no PDB 2RN5 . "Humal Insulin Mutant B31lys-B32arg" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 157 no PDB 2TCI . "X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben An" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 158 no PDB 2VJZ . "Crystal Structure Form Ultalente Insulin Microcrystals" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 159 no PDB 2VK0 . "Crystal Structure Form Ultalente Insulin Microcrystals" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 160 no PDB 2W44 . "Structure Deltaa1-a4 Insulin" . . . . . 80.95 17 100.00 100.00 8.44e-02 . . . . 556 1 161 no PDB 2WBY . "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Insulin" . . . . . 95.24 20 100.00 100.00 6.41e-04 . . . . 556 1 162 no PDB 2WC0 . "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Iodinated Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 163 no PDB 2WRU . "Semi-synthetic Highly Active Analogue Of Human Insulin Nmealab26-dti-nh2" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 164 no PDB 2WRV . "Semi-Synthetic Highly Active Analogue Of Human Insulin Nmehisb26-Dti-Nh2" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 165 no PDB 2WRW . "Semi-Synthetic Highly Active Analogue Of Human Insulin D- Prob26-Dti-Nh2" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 166 no PDB 2WRX . "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 3.0" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 167 no PDB 2WS0 . "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 7.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 168 no PDB 2WS1 . "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Monomer Form" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 169 no PDB 2WS4 . "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti In Monomer Form" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 170 no PDB 2WS6 . "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Hexamer Form" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 171 no PDB 2WS7 . "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 172 no PDB 2ZPP . "Neutron Crystal Structure Of Cubic Insulin At Pd9" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 173 no PDB 3AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 174 no PDB 3BRR . "Crystal Structure Of Insulin In Complex With Sulfatide" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 175 no PDB 3BXQ . "The Structure Of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block To The Tr Transitio" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 176 no PDB 3E7Y . "Structure Of Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 177 no PDB 3E7Z . "Structure Of Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 178 no PDB 3EXX . "Structure Of The T6 Human Insulin Derivative With Nickel At 1.35 A Resolution" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 179 no PDB 3FHP . "A Neutron Crystallographic Analysis Of A Porcine 2zn Insulin At 2.0 A Resolution" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 180 no PDB 3I3Z . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 181 no PDB 3I40 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 182 no PDB 3ILG . "Crystal Structure Of Humnan Insulin Sr+2 Complex" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 183 no PDB 3INC . "Crystal Structure Of Human Insulin With Ni+2 Complex" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 184 no PDB 3INS . "Structure Of Insulin. Results Of Joint Neutron And X-ray Refinement" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 185 no PDB 3IR0 . "Crystal Structure Of Human Insulin Complexed With Cu+2 Metal Ion" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 186 no PDB 3JSD . "Insulin's Biosynthesis And Activity Have Opposing Structural Requirements: A New Factor In Neonatal Diabetes Mellitus" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 187 no PDB 3MTH . "X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben An" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 188 no PDB 3P2X . "Insulin Fibrillation Is The Janus Face Of Induced Fit. A Chiaral Clamp Stabilizes The Native State At The Expense Of Activity" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 189 no PDB 3P33 . "Insulin Fibrillation Is The Janus Face Of Induced Fit. A Chiral Clamp Stabilizes The Native State At The Expense Of Activity" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 190 no PDB 3Q6E . "Human Insulin In Complex With Cucurbit[7]uril" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 191 no PDB 3ROV . "Insulin's Biosynthesis And Activity Have Opposing Structural Requirements: A New Factor In Neonatal Diabetes Mellitus" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 192 no PDB 3RTO . "Acoustically Mounted Porcine Insulin Microcrystals Yield An X-Ray Sad Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 193 no PDB 3T2A . "Tmao-Grown Cubic Insulin (Porcine)" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 194 no PDB 3TT8 . "Crystal Structure Analysis Of Cu Human Insulin Derivative" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 195 no PDB 3U4N . "A Novel Covalently Linked Insulin Dimer" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 196 no PDB 3V1G . "Forestalling Insulin Fibrillation By Insertion Of A Chiral Clamp Mechanism-Based Application Of Protein Engineering To Global H" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 197 no PDB 3W11 . "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With Human Insulin, Alpha-ct Peptide(704-719) And Fab" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 198 no PDB 3W12 . "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 199 no PDB 3W13 . "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 200 no PDB 3W7Y . "0.92a Structure Of 2zn Human Insulin At 100k" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 201 no PDB 3W7Z . "1.15a Structure Of Human 2zn Insulin At 293k" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 202 no PDB 3W80 . "Crystal Structure Of Dodecamer Human Insulin With Double C-axis Length Of The Hexamer 2 Zn Insulin Cell" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 203 no PDB 3ZI3 . "Crystal Structure Of The B24his-insulin - Human Analogue" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 204 no PDB 3ZQR . "Nmepheb25 Insulin Analogue Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 205 no PDB 3ZS2 . "Tyrb25,Nmepheb26,Lysb28,Prob29-Insulin Analogue Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 206 no PDB 3ZU1 . "Structure Of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 207 no PDB 4A7E . "X-Ray Crystal Structure Of Porcine Insulin Flash-Cooled At High Pressure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 208 no PDB 4AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 209 no PDB 4AJX . "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 210 no PDB 4AJZ . "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 211 no PDB 4AK0 . "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 212 no PDB 4AKJ . "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 213 no PDB 4CXL . "Human Insulin Analogue (d-prob8)-insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 214 no PDB 4CXN . "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form I" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 215 no PDB 4CY7 . "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form Ii" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 216 no PDB 4EWW . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 217 no PDB 4EWX . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 218 no PDB 4EWZ . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 219 no PDB 4EX0 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 220 no PDB 4EX1 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 221 no PDB 4EXX . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 222 no PDB 4EY1 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 223 no PDB 4EY9 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 224 no PDB 4EYD . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 225 no PDB 4EYN . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 226 no PDB 4EYP . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 227 no PDB 4F0N . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 228 no PDB 4F0O . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 229 no PDB 4F1A . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 230 no PDB 4F1B . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 231 no PDB 4F1C . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 232 no PDB 4F1D . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 233 no PDB 4F1F . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 234 no PDB 4F1G . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 235 no PDB 4F4T . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 236 no PDB 4F4V . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 237 no PDB 4F51 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 238 no PDB 4F8F . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 239 no PDB 4FG3 . "Crystal Structure Analysis Of The Human Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 240 no PDB 4FKA . "High Resolution Structure Of The Manganese Derivative Of Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 241 no PDB 4GBC . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 242 no PDB 4GBI . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 243 no PDB 4GBK . "Crystal Structure Of Aspart Insulin At Ph 8.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 244 no PDB 4GBL . "Crystal Structure Of Aspart Insulin At Ph 8.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 245 no PDB 4GBN . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 246 no PDB 4INS . "The Structure Of 2zn Pig Insulin Crystals At 1.5 Angstroms Resolution" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 247 no PDB 4IUZ . "High Resolution Crystal Structure Of Racemic Ester Insulin" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 248 no PDB 4NIB . "Crystal Structure Of Human Insulin Mutant B20 D-ala, B23 D-ala" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 249 no PDB 4OGA . "Insulin In Complex With Site 1 Of The Human Insulin Receptor" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 250 no PDB 4P65 . "Crystal Structure Of An Cyclohexylalanine Substituted Insulin Analog." . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 251 no PDB 4UNE . "Human Insulin B26phe Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 252 no PDB 4UNG . "Human Insulin B26asn Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 253 no PDB 4UNH . "Human Insulin B26gly Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 254 no PDB 5AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 255 no 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 7.80e-05 . . . . 556 1 256 no PDB 7INS . "Structure Of Porcine Insulin Cocrystallized With Clupeine Z" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 257 no PDB 9INS . "Monovalent Cation Binding In Cubic Insulin Crystals" . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 258 no DBJ BAH59081 . "human M-proinsulin [synthetic construct]" . . . . . 100.00 87 100.00 100.00 3.86e-05 . . . . 556 1 259 no DBJ BAJ17943 . "insulin [synthetic construct]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 260 no DBJ BAM29044 . "insulin, partial [Suncus murinus]" . . . . . 100.00 77 100.00 100.00 3.00e-05 . . . . 556 1 261 no EMBL CAA23424 . "unnamed protein product [synthetic construct]" . . . . . 100.00 87 100.00 100.00 3.86e-05 . . . . 556 1 262 no EMBL CAA23475 . "preproinsulin [Canis sp.]" . . . . . 100.00 110 100.00 100.00 2.66e-05 . . . . 556 1 263 no EMBL CAA23828 . "preproinsulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 264 no EMBL CAA43403 . "Preproinsulin [Pan troglodytes]" . . . . . 100.00 110 100.00 100.00 2.43e-05 . . . . 556 1 265 no EMBL CAA43405 . "Preproinsulin [Chlorocebus aethiops]" . . . . . 100.00 110 100.00 100.00 2.66e-05 . . . . 556 1 266 no GB AAA17540 . "insulin, partial [Oryctolagus cuniculus]" . . . . . 100.00 55 100.00 100.00 2.93e-05 . . . . 556 1 267 no GB AAA19033 . "insulin [Oryctolagus cuniculus]" . . . . . 100.00 110 100.00 100.00 2.63e-05 . . . . 556 1 268 no GB AAA36849 . "preproinsulin [Macaca fascicularis]" . . . . . 100.00 110 100.00 100.00 2.51e-05 . . . . 556 1 269 no GB AAA59172 . "insulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 270 no GB AAA59173 . "insulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 271 no PRF 0601246A . insulin,prepro . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 272 no PRF 1006230A . insulin,pro- . . . . . 100.00 86 100.00 100.00 3.83e-05 . . . . 556 1 273 no PRF 550086A . insulin . . . . . 100.00 51 100.00 100.00 7.11e-05 . . . . 556 1 274 no PRF 560164B . insulin . . . . . 100.00 21 100.00 100.00 1.03e-04 . . . . 556 1 275 no PRF 580107B . insulin . . . . . 100.00 50 100.00 100.00 6.74e-05 . . . . 556 1 276 no REF NP_000198 . "insulin preproprotein [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 277 no REF NP_001008996 . "insulin preproprotein [Pan troglodytes]" . . . . . 100.00 110 100.00 100.00 2.43e-05 . . . . 556 1 278 no REF NP_001075804 . "insulin precursor [Oryctolagus cuniculus]" . . . . . 100.00 110 100.00 100.00 2.63e-05 . . . . 556 1 279 no REF NP_001103242 . "insulin precursor [Sus scrofa]" . . . . . 100.00 108 100.00 100.00 3.77e-05 . . . . 556 1 280 no REF NP_001123565 . "insulin precursor [Canis lupus familiaris]" . . . . . 100.00 110 100.00 100.00 2.66e-05 . . . . 556 1 281 no SP P01308 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Homo" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 556 1 282 no SP P01311 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Oryc" . . . . . 100.00 110 100.00 100.00 2.63e-05 . . . . 556 1 283 no SP P01315 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Sus " . . . . . 100.00 108 100.00 100.00 3.77e-05 . . . . 556 1 284 no SP P01321 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Cani" . . . . . 100.00 110 100.00 100.00 2.66e-05 . . . . 556 1 285 no SP P30406 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Maca" . . . . . 100.00 110 100.00 100.00 2.51e-05 . . . . 556 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'insulin A chain' common 556 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 . 556 1 2 . ILE . 556 1 3 . VAL . 556 1 4 . GLU . 556 1 5 . GLN . 556 1 6 . CYS . 556 1 7 . CYS . 556 1 8 . THR . 556 1 9 . SER . 556 1 10 . ILE . 556 1 11 . CYS . 556 1 12 . SER . 556 1 13 . LEU . 556 1 14 . TYR . 556 1 15 . GLN . 556 1 16 . LEU . 556 1 17 . GLU . 556 1 18 . ASN . 556 1 19 . TYR . 556 1 20 . CYS . 556 1 21 . ASN . 556 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 1 556 1 . ILE 2 2 556 1 . VAL 3 3 556 1 . GLU 4 4 556 1 . GLN 5 5 556 1 . CYS 6 6 556 1 . CYS 7 7 556 1 . THR 8 8 556 1 . SER 9 9 556 1 . ILE 10 10 556 1 . CYS 11 11 556 1 . SER 12 12 556 1 . LEU 13 13 556 1 . TYR 14 14 556 1 . GLN 15 15 556 1 . LEU 16 16 556 1 . GLU 17 17 556 1 . ASN 18 18 556 1 . TYR 19 19 556 1 . CYS 20 20 556 1 . ASN 21 21 556 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 556 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $insulin_A_chain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 556 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 556 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $insulin_A_chain . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 556 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 556 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 556 _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 2.2 . na 556 1 temperature 303 . K 556 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 556 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 556 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 556 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 556 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 556 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 556 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . CD3COOH 'residual CD2H' . . . . ppm 2.03 . . . . . . 1 $entry_citation . . 1 $entry_citation 556 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_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 556 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 556 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 14 14 TYR HD1 H 1 7.036 . . 1 . . . . . . . . 556 1 2 . 1 1 14 14 TYR HD2 H 1 7.036 . . 1 . . . . . . . . 556 1 3 . 1 1 14 14 TYR HE1 H 1 6.806 . . 1 . . . . . . . . 556 1 4 . 1 1 14 14 TYR HE2 H 1 6.806 . . 1 . . . . . . . . 556 1 5 . 1 1 19 19 TYR HD1 H 1 7.281 . . 1 . . . . . . . . 556 1 6 . 1 1 19 19 TYR HD2 H 1 7.281 . . 1 . . . . . . . . 556 1 7 . 1 1 19 19 TYR HE1 H 1 6.742 . . 1 . . . . . . . . 556 1 8 . 1 1 19 19 TYR HE2 H 1 6.742 . . 1 . . . . . . . . 556 1 stop_ save_