data_19978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19978 _Entry.Title ; Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-17 _Entry.Accession_date 2014-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lucie Kosinova . . . 19978 2 Jiri Jiracek . . . 19978 3 Lenka Zakova . . . 19978 4 Vaclav Veverka . . . 19978 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19978 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'insulin analogue' . 19978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 348 19978 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-06-25 2014-05-17 update BMRB 'update entry citation' 19978 1 . . 2014-06-09 2014-05-17 original author 'original release' 19978 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MPG 'BMRB Entry Tracking System' 19978 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19978 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24819248 _Citation.Full_citation . _Citation.Title 'Insight into the structural and biological relevance of the t/r transition of the N-terminus of the B-chain in human insulin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 21 _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 3392 _Citation.Page_last 3402 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lucie Kosinova . . . 19978 1 2 Vaclav Veverka . . . 19978 1 3 Pavlina Novotna . . . 19978 1 4 Michaela Collinsova . . . 19978 1 5 Marie Urbanova . . . 19978 1 6 Nicholas Moody . R. . 19978 1 7 Johan Turkenburg . P. . 19978 1 8 Jii Jiraek . . . 19978 1 9 Andrzej Brzozowski . M. . 19978 1 10 Lenka Zakova . . . 19978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19978 _Assembly.ID 1 _Assembly.Name '[AibB8,LysB28,ProB29]-insulin analogue' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 19978 1 2 entity_2 2 $entity_2 B . yes native no no . . . 19978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIVEQCCTSICSLYQLENYC N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2383.700 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1000 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 2 no BMRB 1002 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 3 no BMRB 1004 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 4 no BMRB 1006 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 5 no BMRB 1008 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 6 no BMRB 1010 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 7 no BMRB 1012 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 8 no BMRB 1014 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 9 no BMRB 1016 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 10 no BMRB 1018 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 11 no BMRB 1020 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 12 no BMRB 1022 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 13 no BMRB 1023 . "insulin B chain" . . . . . 95.24 42 100.00 100.00 1.05e-03 . . . . 19978 1 14 no BMRB 11016 . "Chain A" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 15 no BMRB 1344 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 16 no BMRB 15464 . "chain A" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 17 no BMRB 1585 . "insulin A chain" . . . . . 95.24 21 100.00 100.00 1.28e-03 . . . . 19978 1 18 no BMRB 1587 . "insulin A chain" . . . . . 95.24 21 100.00 100.00 1.28e-03 . . . . 19978 1 19 no BMRB 16026 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 20 no BMRB 16027 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 21 no BMRB 1632 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 22 no BMRB 16343 . INSULIN_A_CHAIN . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 23 no BMRB 16608 . Proinsulin . . . . . 100.00 86 100.00 100.00 5.99e-05 . . . . 19978 1 24 no BMRB 16663 . "entity, chain 1" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 25 no BMRB 16915 . "entity, chain 1" . . . . . 100.00 22 100.00 100.00 1.61e-04 . . . . 19978 1 26 no BMRB 17107 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 27 no BMRB 1761 . "insulin A chain" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 28 no BMRB 17803 . "InsulinGR 1" . . . . . 100.00 22 100.00 100.00 1.61e-04 . . . . 19978 1 29 no BMRB 18858 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 30 no BMRB 18859 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 31 no BMRB 18921 . chain_A . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 32 no BMRB 18923 . chain_A . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 33 no BMRB 18924 . chain_A . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 34 no BMRB 18925 . chain_A . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 35 no BMRB 19822 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 36 no BMRB 19979 . entity . . . . . 100.00 51 100.00 100.00 1.21e-04 . . . . 19978 1 37 no BMRB 20052 . Human_Insulin_A-chain_peptide . . . . . 71.43 15 100.00 100.00 4.56e+00 . . . . 19978 1 38 no BMRB 20053 . Insulin_A-chain_variant_peptide . . . . . 71.43 17 100.00 100.00 3.29e+00 . . . . 19978 1 39 no BMRB 25260 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 40 no BMRB 25261 . entity_1 . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 41 no BMRB 4266 . [D-AlaB26]destetra(B27-B30)insulin-B26-amide . . . . . 100.00 47 100.00 100.00 1.07e-04 . . . . 19978 1 42 no PDB 1A7F . "Insulin Mutant B16 Glu, B24 Gly, Des-B30, Nmr, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 43 no PDB 1AI0 . "R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 44 no PDB 1AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 45 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 1.52e-04 . . . . 19978 1 46 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 1.52e-04 . . . . 19978 1 47 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 1.52e-04 . . . . 19978 1 48 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 1.52e-04 . . . . 19978 1 49 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 1.52e-04 . . . . 19978 1 50 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 1.52e-04 . . . . 19978 1 51 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 1.52e-04 . . . . 19978 1 52 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 1.52e-04 . . . . 19978 1 53 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 1.52e-04 . . . . 19978 1 54 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 1.52e-04 . . . . 19978 1 55 no PDB 1B9E . "Human Insulin Mutant Serb9glu" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 56 no PDB 1BEN . "Insulin Complexed With 4-Hydroxybenzamide" . . . . . 95.24 21 100.00 100.00 1.28e-03 . . . . 19978 1 57 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 1.52e-04 . . . . 19978 1 58 no PDB 1DEI . "Desheptapeptide (B24-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 59 no PDB 1EFE . "An Active Mini-Proinsulin, M2pi" . . . . . 100.00 60 100.00 100.00 8.68e-05 . . . . 19978 1 60 no PDB 1EV3 . "Structure Of The Rhombohedral Form Of The M-cresol/insulin R6 Hexamer" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 61 no PDB 1EV6 . "Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 62 no PDB 1EVR . "The Structure Of The ResorcinolINSULIN R6 HEXAMER" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 63 no PDB 1FU2 . "First Protein Structure Determined From X-Ray Powder Diffraction Data" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 64 no PDB 1FUB . "First Protein Structure Determined From X-Ray Powder Diffraction Data" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 65 no PDB 1G7A . "1.2 A Structure Of T3r3 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 66 no PDB 1G7B . "1.3 A Structure Of T3r3 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 67 no PDB 1GUJ . "Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 68 no PDB 1HIQ . "Paradoxical Structure And Function In A Mutant Human Insulin Associated With Diabetes Mellitus" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 69 no PDB 1HIS . "Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 70 no PDB 1HIT . "Receptor Binding Redefined By A Structural Switch In A Mutant Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 71 no PDB 1HLS . "Nmr Structure Of The Human Insulin-His(B16)" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 72 no PDB 1HTV . "Crystal Structure Of Destripeptide (B28-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 73 no PDB 1HUI . "Insulin Mutant (B1, B10, B16, B27)glu, Des-B30, Nmr, 25 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 74 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 1.52e-04 . . . . 19978 1 75 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 1.52e-04 . . . . 19978 1 76 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 1.52e-04 . . . . 19978 1 77 no PDB 1LPH . "Lys(B28)pro(B29)-Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 78 no PDB 1M5A . "Crystal Structure Of 2-Co(2+)-Insulin At 1.2a Resolution" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 79 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 1.28e-03 . . . . 19978 1 80 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 1.52e-04 . . . . 19978 1 81 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 1.52e-04 . . . . 19978 1 82 no PDB 1MSO . "T6 Human Insulin At 1.0 A Resolution" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 83 no PDB 1OS3 . "Dehydrated T6 Human Insulin At 100 K" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 84 no PDB 1OS4 . "Dehydrated T6 Human Insulin At 295 K" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 85 no PDB 1QIY . "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Phenol" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 86 no PDB 1QIZ . "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Resorcinol" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 87 no PDB 1QJ0 . "Human Insulin Hexamers With Chain B His Mutated To Tyr" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 88 no PDB 1SDB . "Porcine Desb1-2 Despentapeptide(B26-B30) Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 89 no PDB 1SF1 . "Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 90 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 1.52e-04 . . . . 19978 1 91 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 1.15e-04 . . . . 19978 1 92 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 1.52e-04 . . . . 19978 1 93 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 1.52e-04 . . . . 19978 1 94 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 1.52e-04 . . . . 19978 1 95 no PDB 1TRZ . "Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 96 no PDB 1TYL . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 97 no PDB 1TYM . "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 98 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 1.52e-04 . . . . 19978 1 99 no PDB 1W8P . "Structural Properties Of The B25tyr-Nme-B26phe Insulin Mutant." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 100 no PDB 1WAV . "Crystal Structure Of Form B Monoclinic Crystal Of Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 101 no PDB 1XDA . "Structure Of Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 102 no PDB 1XGL . "Human Insulin Disulfide Isomer, Nmr, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 103 no PDB 1ZEG . "Structure Of B28 Asp Insulin In Complex With Phenol" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 104 no PDB 1ZEH . "Structure Of Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 105 no PDB 1ZEI . "Cross-Linked B28 Asp Insulin" . . . . . 100.00 53 100.00 100.00 8.42e-05 . . . . 19978 1 106 no PDB 1ZNI . Insulin . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 107 no PDB 1ZNJ . "Insulin, Monoclinic Crystal Form" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 108 no PDB 2AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 109 no PDB 2C8Q . "Insuline(1sec) And Uv Laser Excited Fluorescence" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 110 no PDB 2C8R . "Insuline(60sec) And Uv Laser Excited Fluorescence" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 111 no PDB 2CEU . "Despentapeptide Insulin In Acetic Acid (Ph 2)" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 112 no PDB 2EFA . "Neutron Crystal Structure Of Cubic Insulin At Pd6.6" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 113 no PDB 2G4M . "Insulin Collected At 2.0 A Wavelength" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 114 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 1.52e-04 . . . . 19978 1 115 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 1.52e-04 . . . . 19978 1 116 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 1.52e-04 . . . . 19978 1 117 no PDB 2HIU . "Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 118 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 1.52e-04 . . . . 19978 1 119 no PDB 2JV1 . "Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 120 no PDB 2K91 . "Enhancing The Activity Of Insulin By Stereospecific Unfolding" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 121 no PDB 2K9R . "Enhancing The Activity Of Insulin By Stereospecific Unfolding" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 122 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 1.52e-04 . . . . 19978 1 123 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 1.52e-04 . . . . 19978 1 124 no PDB 2KQP . "Nmr Structure Of Proinsulin" . . . . . 100.00 86 100.00 100.00 5.99e-05 . . . . 19978 1 125 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 1.52e-04 . . . . 19978 1 126 no PDB 2KXK . "Human Insulin Mutant A22gly-B31lys-B32arg" . . . . . 100.00 22 100.00 100.00 1.61e-04 . . . . 19978 1 127 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 1.52e-04 . . . . 19978 1 128 no PDB 2LGB . "Modified A22gly-B31arg Human Insulin" . . . . . 100.00 22 100.00 100.00 1.61e-04 . . . . 19978 1 129 no PDB 2M1D . "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water/acetonitrile Solutions." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 130 no PDB 2M1E . "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water Solutions." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 131 no PDB 2M2M . "Structure Of [l-hisb24] Insulin Analogue At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 132 no PDB 2M2N . "Structure Of [l-hisb24] Insulin Analogue At Ph 8.0" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 133 no PDB 2M2O . "Structure Of [d-hisb24] Insulin Analogue At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 134 no PDB 2M2P . "Structure Of [d-hisb24] Insulin Analogue At Ph 8.0" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 135 no PDB 2MLI . "Nmr Structure Of B25-(alpha, Beta)-dehydro-phenylalanine Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 136 no PDB 2MPG . "Solution Structure Of The [aibb8,lysb28,prob29]-insulin Analogue" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 137 no PDB 2MVC . "Solution Structure Of Human Insulin At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 138 no PDB 2MVD . "Solution Structure Of [glnb22]-insulin Mutant At Ph 1.9" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 139 no PDB 2OLY . "Structure Of Human Insulin In Presence Of Urea At Ph 7.0" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 140 no PDB 2OLZ . "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 141 no PDB 2OM0 . "Structure Of Human Insulin In Presence Of Urea At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 142 no PDB 2OM1 . "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 143 no PDB 2OMG . "Structure Of Human Insulin Cocrystallized With Protamine And Urea" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 144 no PDB 2OMH . "Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 145 no PDB 2OMI . "Structure Of Human Insulin Cocrystallized With Protamine" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 146 no PDB 2QIU . "Structure Of Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 1.33e-04 . . . . 19978 1 147 no PDB 2R34 . "Crystal Structure Of Mn Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 1.33e-04 . . . . 19978 1 148 no PDB 2R35 . "Crystal Structure Of Rb Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 1.33e-04 . . . . 19978 1 149 no PDB 2R36 . "Crystal Structure Of Ni Human Arg-Insulin" . . . . . 100.00 22 100.00 100.00 1.33e-04 . . . . 19978 1 150 no PDB 2RN5 . "Humal Insulin Mutant B31lys-B32arg" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 151 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 1.52e-04 . . . . 19978 1 152 no PDB 2VJZ . "Crystal Structure Form Ultalente Insulin Microcrystals" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 153 no PDB 2VK0 . "Crystal Structure Form Ultalente Insulin Microcrystals" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 154 no PDB 2W44 . "Structure Deltaa1-a4 Insulin" . . . . . 80.95 17 100.00 100.00 1.24e-01 . . . . 19978 1 155 no PDB 2WBY . "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Insulin" . . . . . 95.24 20 100.00 100.00 9.42e-04 . . . . 19978 1 156 no PDB 2WC0 . "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Iodinated Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 157 no PDB 2WRU . "Semi-synthetic Highly Active Analogue Of Human Insulin Nmealab26-dti-nh2" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 158 no PDB 2WRV . "Semi-Synthetic Highly Active Analogue Of Human Insulin Nmehisb26-Dti-Nh2" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 159 no PDB 2WRW . "Semi-Synthetic Highly Active Analogue Of Human Insulin D- Prob26-Dti-Nh2" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 160 no PDB 2WRX . "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 3.0" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 161 no PDB 2WS0 . "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 7.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 162 no PDB 2WS1 . "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Monomer Form" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 163 no PDB 2WS4 . "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti In Monomer Form" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 164 no PDB 2WS6 . "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Hexamer Form" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 165 no PDB 2WS7 . "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 166 no PDB 2ZPP . "Neutron Crystal Structure Of Cubic Insulin At Pd9" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 167 no PDB 3AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 168 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 1.52e-04 . . . . 19978 1 169 no PDB 3E7Y . "Structure Of Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 170 no PDB 3E7Z . "Structure Of Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 171 no PDB 3EXX . "Structure Of The T6 Human Insulin Derivative With Nickel At 1.35 A Resolution" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 172 no PDB 3FHP . "A Neutron Crystallographic Analysis Of A Porcine 2zn Insulin At 2.0 A Resolution" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 173 no PDB 3I3Z . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 174 no PDB 3I40 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 175 no PDB 3ILG . "Crystal Structure Of Humnan Insulin Sr+2 Complex" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 176 no PDB 3INC . "Crystal Structure Of Human Insulin With Ni+2 Complex" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 177 no PDB 3INS . "Structure Of Insulin. Results Of Joint Neutron And X-ray Refinement" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 178 no PDB 3IR0 . "Crystal Structure Of Human Insulin Complexed With Cu+2 Metal Ion" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 179 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 1.52e-04 . . . . 19978 1 180 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 1.52e-04 . . . . 19978 1 181 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 1.52e-04 . . . . 19978 1 182 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 1.52e-04 . . . . 19978 1 183 no PDB 3Q6E . "Human Insulin In Complex With Cucurbit[7]uril" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 184 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 1.52e-04 . . . . 19978 1 185 no PDB 3RTO . "Acoustically Mounted Porcine Insulin Microcrystals Yield An X-Ray Sad Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 186 no PDB 3T2A . "Tmao-Grown Cubic Insulin (Porcine)" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 187 no PDB 3TT8 . "Crystal Structure Analysis Of Cu Human Insulin Derivative" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 188 no PDB 3U4N . "A Novel Covalently Linked Insulin Dimer" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 189 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 1.52e-04 . . . . 19978 1 190 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 1.52e-04 . . . . 19978 1 191 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 1.52e-04 . . . . 19978 1 192 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 1.52e-04 . . . . 19978 1 193 no PDB 3W7Y . "0.92a Structure Of 2zn Human Insulin At 100k" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 194 no PDB 3W7Z . "1.15a Structure Of Human 2zn Insulin At 293k" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 195 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 1.52e-04 . . . . 19978 1 196 no PDB 3ZI3 . "Crystal Structure Of The B24his-insulin - Human Analogue" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 197 no PDB 3ZQR . "Nmepheb25 Insulin Analogue Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 198 no PDB 3ZS2 . "Tyrb25,Nmepheb26,Lysb28,Prob29-Insulin Analogue Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 199 no PDB 3ZU1 . "Structure Of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 200 no PDB 4A7E . "X-Ray Crystal Structure Of Porcine Insulin Flash-Cooled At High Pressure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 201 no PDB 4AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 202 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 1.52e-04 . . . . 19978 1 203 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 1.52e-04 . . . . 19978 1 204 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 1.52e-04 . . . . 19978 1 205 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 1.52e-04 . . . . 19978 1 206 no PDB 4CXL . "Human Insulin Analogue (d-prob8)-insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 207 no PDB 4CXN . "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form I" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 208 no PDB 4CY7 . "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form Ii" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 209 no PDB 4EWW . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 210 no PDB 4EWX . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 211 no PDB 4EWZ . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 212 no PDB 4EX0 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 213 no PDB 4EX1 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 214 no PDB 4EXX . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 215 no PDB 4EY1 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 216 no PDB 4EY9 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 217 no PDB 4EYD . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 218 no PDB 4EYN . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 219 no PDB 4EYP . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 220 no PDB 4F0N . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 221 no PDB 4F0O . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 222 no PDB 4F1A . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 223 no PDB 4F1B . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 224 no PDB 4F1C . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 225 no PDB 4F1D . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 226 no PDB 4F1F . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 227 no PDB 4F1G . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 228 no PDB 4F4T . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 229 no PDB 4F4V . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 230 no PDB 4F51 . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 231 no PDB 4F8F . "Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 232 no PDB 4FG3 . "Crystal Structure Analysis Of The Human Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 233 no PDB 4FKA . "High Resolution Structure Of The Manganese Derivative Of Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 234 no PDB 4GBC . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 235 no PDB 4GBI . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 236 no PDB 4GBK . "Crystal Structure Of Aspart Insulin At Ph 8.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 237 no PDB 4GBL . "Crystal Structure Of Aspart Insulin At Ph 8.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 238 no PDB 4GBN . "Crystal Structure Of Aspart Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 239 no PDB 4INS . "The Structure Of 2zn Pig Insulin Crystals At 1.5 Angstroms Resolution" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 240 no PDB 4IUZ . "High Resolution Crystal Structure Of Racemic Ester Insulin" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 241 no PDB 4NIB . "Crystal Structure Of Human Insulin Mutant B20 D-ala, B23 D-ala" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 242 no PDB 4OGA . "Insulin In Complex With Site 1 Of The Human Insulin Receptor" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 243 no PDB 4P65 . "Crystal Structure Of An Cyclohexylalanine Substituted Insulin Analog." . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 244 no PDB 4Q5Z . "Crystal Structure Analysis Of Fab-bound Human Insulin Degrading Enzyme (ide) In Complex With Insulin" . . . . . 95.24 20 100.00 100.00 9.42e-04 . . . . 19978 1 245 no PDB 4RXW . "Crystal Structure Of The Cobalt Human Insulin Derivative" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 246 no PDB 4UNE . "Human Insulin B26phe Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 247 no PDB 4UNG . "Human Insulin B26asn Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 248 no PDB 4UNH . "Human Insulin B26gly Mutant Crystal Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 249 no PDB 4XC4 . "Insulin Co-crystallizes In The Presence Of It Beta-cell Chaperone Sulfatide" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 250 no PDB 5AIY . "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 251 no PDB 5CNY . "Crystal Structure Of Human Zinc Insulin At Ph 5.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 252 no PDB 5CO2 . "Crystalization Of Human Zinc Insulin At Ph 5.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 253 no PDB 5CO6 . "Crystal Structure Of Human Zinc Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 254 no PDB 5CO9 . "Crystal Structure Of Human Zinc Insulin At Ph 6.5" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 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 1.15e-04 . . . . 19978 1 256 no PDB 7INS . "Structure Of Porcine Insulin Cocrystallized With Clupeine Z" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 257 no PDB 9INS . "Monovalent Cation Binding In Cubic Insulin Crystals" . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 258 no DBJ BAH59081 . "human M-proinsulin [synthetic construct]" . . . . . 100.00 87 100.00 100.00 5.68e-05 . . . . 19978 1 259 no DBJ BAJ17943 . "insulin [synthetic construct]" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 260 no DBJ BAM29044 . "insulin, partial [Suncus murinus]" . . . . . 100.00 77 100.00 100.00 4.41e-05 . . . . 19978 1 261 no EMBL CAA23424 . "unnamed protein product [synthetic construct]" . . . . . 100.00 87 100.00 100.00 5.68e-05 . . . . 19978 1 262 no EMBL CAA23475 . "preproinsulin [Canis sp.]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 19978 1 263 no EMBL CAA23828 . "preproinsulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 264 no EMBL CAA43403 . "Preproinsulin [Pan troglodytes]" . . . . . 100.00 110 100.00 100.00 3.57e-05 . . . . 19978 1 265 no EMBL CAA43405 . "Preproinsulin [Chlorocebus aethiops]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 19978 1 266 no GB AAA17540 . "insulin, partial [Oryctolagus cuniculus]" . . . . . 100.00 55 100.00 100.00 4.30e-05 . . . . 19978 1 267 no GB AAA19033 . "insulin [Oryctolagus cuniculus]" . . . . . 100.00 110 100.00 100.00 3.87e-05 . . . . 19978 1 268 no GB AAA36849 . "preproinsulin [Macaca fascicularis]" . . . . . 100.00 110 100.00 100.00 3.68e-05 . . . . 19978 1 269 no GB AAA59172 . "insulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 270 no GB AAA59173 . "insulin [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 271 no PRF 0601246A . insulin,prepro . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 272 no PRF 1006230A . insulin,pro- . . . . . 100.00 86 100.00 100.00 5.63e-05 . . . . 19978 1 273 no PRF 550086A . insulin . . . . . 100.00 51 100.00 100.00 1.04e-04 . . . . 19978 1 274 no PRF 560164B . insulin . . . . . 100.00 21 100.00 100.00 1.52e-04 . . . . 19978 1 275 no PRF 580107B . insulin . . . . . 100.00 50 100.00 100.00 9.91e-05 . . . . 19978 1 276 no REF NP_000198 . "insulin preproprotein [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 277 no REF NP_001008996 . "insulin preproprotein [Pan troglodytes]" . . . . . 100.00 110 100.00 100.00 3.57e-05 . . . . 19978 1 278 no REF NP_001075804 . "insulin precursor [Oryctolagus cuniculus]" . . . . . 100.00 110 100.00 100.00 3.87e-05 . . . . 19978 1 279 no REF NP_001103242 . "insulin precursor [Sus scrofa]" . . . . . 100.00 108 100.00 100.00 5.54e-05 . . . . 19978 1 280 no REF NP_001123565 . "insulin precursor [Canis lupus familiaris]" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 19978 1 281 no SP P01308 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 5.75e-05 . . . . 19978 1 282 no SP P01311 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 3.87e-05 . . . . 19978 1 283 no SP P01315 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor" . . . . . 100.00 108 100.00 100.00 5.54e-05 . . . . 19978 1 284 no SP P01321 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 3.91e-05 . . . . 19978 1 285 no SP P30406 . "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 3.68e-05 . . . . 19978 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 1 GLY . 19978 1 2 2 ILE . 19978 1 3 3 VAL . 19978 1 4 4 GLU . 19978 1 5 5 GLN . 19978 1 6 6 CYS . 19978 1 7 7 CYS . 19978 1 8 8 THR . 19978 1 9 9 SER . 19978 1 10 10 ILE . 19978 1 11 11 CYS . 19978 1 12 12 SER . 19978 1 13 13 LEU . 19978 1 14 14 TYR . 19978 1 15 15 GLN . 19978 1 16 16 LEU . 19978 1 17 17 GLU . 19978 1 18 18 ASN . 19978 1 19 19 TYR . 19978 1 20 20 CYS . 19978 1 21 21 ASN . 19978 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 19978 1 . ILE 2 2 19978 1 . VAL 3 3 19978 1 . GLU 4 4 19978 1 . GLN 5 5 19978 1 . CYS 6 6 19978 1 . CYS 7 7 19978 1 . THR 8 8 19978 1 . SER 9 9 19978 1 . ILE 10 10 19978 1 . CYS 11 11 19978 1 . SER 12 12 19978 1 . LEU 13 13 19978 1 . TYR 14 14 19978 1 . GLN 15 15 19978 1 . LEU 16 16 19978 1 . GLU 17 17 19978 1 . ASN 18 18 19978 1 . TYR 19 19 19978 1 . CYS 20 20 19978 1 . ASN 21 21 19978 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19978 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FVNQHLCXSHLVEALYLVCG ERGFFYTKPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3462.034 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MPG . "Solution Structure Of The [aibb8,lysb28,prob29]-insulin Analogue" . . . . . 100.00 30 100.00 100.00 8.75e-12 . . . . 19978 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 31 PHE . 19978 2 2 32 VAL . 19978 2 3 33 ASN . 19978 2 4 34 GLN . 19978 2 5 35 HIS . 19978 2 6 36 LEU . 19978 2 7 37 CYS . 19978 2 8 38 AIB . 19978 2 9 39 SER . 19978 2 10 40 HIS . 19978 2 11 41 LEU . 19978 2 12 42 VAL . 19978 2 13 43 GLU . 19978 2 14 44 ALA . 19978 2 15 45 LEU . 19978 2 16 46 TYR . 19978 2 17 47 LEU . 19978 2 18 48 VAL . 19978 2 19 49 CYS . 19978 2 20 50 GLY . 19978 2 21 51 GLU . 19978 2 22 52 ARG . 19978 2 23 53 GLY . 19978 2 24 54 PHE . 19978 2 25 55 PHE . 19978 2 26 56 TYR . 19978 2 27 57 THR . 19978 2 28 58 LYS . 19978 2 29 59 PRO . 19978 2 30 60 THR . 19978 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 19978 2 . VAL 2 2 19978 2 . ASN 3 3 19978 2 . GLN 4 4 19978 2 . HIS 5 5 19978 2 . LEU 6 6 19978 2 . CYS 7 7 19978 2 . AIB 8 8 19978 2 . SER 9 9 19978 2 . HIS 10 10 19978 2 . LEU 11 11 19978 2 . VAL 12 12 19978 2 . GLU 13 13 19978 2 . ALA 14 14 19978 2 . LEU 15 15 19978 2 . TYR 16 16 19978 2 . LEU 17 17 19978 2 . VAL 18 18 19978 2 . CYS 19 19 19978 2 . GLY 20 20 19978 2 . GLU 21 21 19978 2 . ARG 22 22 19978 2 . GLY 23 23 19978 2 . PHE 24 24 19978 2 . PHE 25 25 19978 2 . TYR 26 26 19978 2 . THR 27 27 19978 2 . LYS 28 28 19978 2 . PRO 29 29 19978 2 . THR 30 30 19978 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 19978 _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 $entity_1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19978 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 19978 _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 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . na . . . . . . 19978 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID 19978 _Chem_comp.ID AIB _Chem_comp.Provenance PDB _Chem_comp.Name 'ALPHA-AMINOISOBUTYRIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code AIB _Chem_comp.PDB_code AIB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code AIB _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H9 N O2' _Chem_comp.Formula_weight 103.120 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AMT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19978 AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19978 AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 19978 AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 19978 AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 19978 AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 19978 AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 19978 AIB stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-amino-2-methyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19978 AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 19978 AIB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 48.065 . 2.462 . -1.964 . -1.298 0.711 0.969 1 . 19978 AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . 19978 AIB C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . 19978 AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . 19978 AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . 19978 AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . 19978 AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . 19978 AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . 19978 AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . 19978 AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . 19978 AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . 19978 AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . 19978 AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . 19978 AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . 19978 AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . 19978 AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . 19978 AIB stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 19978 AIB 2 . SING N H no N 2 . 19978 AIB 3 . SING N H2 no N 3 . 19978 AIB 4 . SING CA C no N 4 . 19978 AIB 5 . SING CA CB1 no N 5 . 19978 AIB 6 . SING CA CB2 no N 6 . 19978 AIB 7 . DOUB C O no N 7 . 19978 AIB 8 . SING C OXT no N 8 . 19978 AIB 9 . SING OXT HO2 no N 9 . 19978 AIB 10 . SING CB1 HB11 no N 10 . 19978 AIB 11 . SING CB1 HB12 no N 11 . 19978 AIB 12 . SING CB1 HB13 no N 12 . 19978 AIB 13 . SING CB2 HB21 no N 13 . 19978 AIB 14 . SING CB2 HB22 no N 14 . 19978 AIB 15 . SING CB2 HB23 no N 15 . 19978 AIB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19978 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 0.3 . . mM . . . . 19978 1 2 'acetic acid' [U-2H] . . . . . . 20 . . % . . . . 19978 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19978 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19978 1 5 entity_2 'natural abundance' . . 2 $entity_2 . . . . . mM . . . . 19978 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19978 _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 temperature 298 . K 19978 1 pH 1.9 . pH 19978 1 pressure 1 . atm 19978 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19978 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19978 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19978 1 processing 19978 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19978 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19978 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19978 2 'data analysis' 19978 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19978 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19978 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19978 3 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 19978 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 19978 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19978 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19978 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19978 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 19978 _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 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19978 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19978 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19978 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19978 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19978 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _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 1H-1H NOESY' . . . 19978 1 2 '2D 1H-1H TOCSY' . . . 19978 1 3 '2D DQF-COSY' . . . 19978 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 1 1 GLY HA2 H 1 4.044 0.010 . . . . . A 1 GLY HA2 . 19978 1 2 . 1 1 1 1 GLY HA3 H 1 4.044 0.010 . . . . . A 1 GLY HA3 . 19978 1 3 . 1 1 2 2 ILE H H 1 8.556 0.011 . . . . . A 2 ILE H . 19978 1 4 . 1 1 2 2 ILE HA H 1 3.982 0.010 . . . . . A 2 ILE HA . 19978 1 5 . 1 1 2 2 ILE HB H 1 0.787 0.010 . . . . . A 2 ILE HB . 19978 1 6 . 1 1 2 2 ILE HG12 H 1 1.199 0.010 . . . . . A 2 ILE HG12 . 19978 1 7 . 1 1 2 2 ILE HG13 H 1 1.199 0.010 . . . . . A 2 ILE HG13 . 19978 1 8 . 1 1 2 2 ILE HG21 H 1 0.975 0.010 . . . . . A 2 ILE HG21 . 19978 1 9 . 1 1 2 2 ILE HG22 H 1 0.975 0.010 . . . . . A 2 ILE HG22 . 19978 1 10 . 1 1 2 2 ILE HG23 H 1 0.975 0.010 . . . . . A 2 ILE HG23 . 19978 1 11 . 1 1 2 2 ILE HD11 H 1 0.641 0.010 . . . . . A 2 ILE HD11 . 19978 1 12 . 1 1 2 2 ILE HD12 H 1 0.641 0.010 . . . . . A 2 ILE HD12 . 19978 1 13 . 1 1 2 2 ILE HD13 H 1 0.641 0.010 . . . . . A 2 ILE HD13 . 19978 1 14 . 1 1 3 3 VAL H H 1 8.158 0.011 . . . . . A 3 VAL H . 19978 1 15 . 1 1 3 3 VAL HA H 1 3.657 0.013 . . . . . A 3 VAL HA . 19978 1 16 . 1 1 3 3 VAL HB H 1 1.927 0.010 . . . . . A 3 VAL HB . 19978 1 17 . 1 1 3 3 VAL HG11 H 1 0.938 0.010 . . . . . A 3 VAL HG11 . 19978 1 18 . 1 1 3 3 VAL HG12 H 1 0.938 0.010 . . . . . A 3 VAL HG12 . 19978 1 19 . 1 1 3 3 VAL HG13 H 1 0.938 0.010 . . . . . A 3 VAL HG13 . 19978 1 20 . 1 1 3 3 VAL HG21 H 1 0.894 0.010 . . . . . A 3 VAL HG21 . 19978 1 21 . 1 1 3 3 VAL HG22 H 1 0.894 0.010 . . . . . A 3 VAL HG22 . 19978 1 22 . 1 1 3 3 VAL HG23 H 1 0.894 0.010 . . . . . A 3 VAL HG23 . 19978 1 23 . 1 1 4 4 GLU H H 1 8.093 0.016 . . . . . A 4 GLU H . 19978 1 24 . 1 1 4 4 GLU HA H 1 4.230 0.015 . . . . . A 4 GLU HA . 19978 1 25 . 1 1 4 4 GLU HB2 H 1 2.118 0.010 . . . . . A 4 GLU HB2 . 19978 1 26 . 1 1 4 4 GLU HB3 H 1 2.118 0.010 . . . . . A 4 GLU HB3 . 19978 1 27 . 1 1 4 4 GLU HG2 H 1 2.493 0.010 . . . . . A 4 GLU HG2 . 19978 1 28 . 1 1 4 4 GLU HG3 H 1 2.493 0.010 . . . . . A 4 GLU HG3 . 19978 1 29 . 1 1 5 5 GLN H H 1 8.265 0.011 . . . . . A 5 GLN H . 19978 1 30 . 1 1 5 5 GLN HA H 1 4.115 0.012 . . . . . A 5 GLN HA . 19978 1 31 . 1 1 5 5 GLN HB2 H 1 2.123 0.010 . . . . . A 5 GLN HB2 . 19978 1 32 . 1 1 5 5 GLN HB3 H 1 2.123 0.010 . . . . . A 5 GLN HB3 . 19978 1 33 . 1 1 5 5 GLN HG2 H 1 2.419 0.010 . . . . . A 5 GLN HG2 . 19978 1 34 . 1 1 5 5 GLN HG3 H 1 2.492 0.010 . . . . . A 5 GLN HG3 . 19978 1 35 . 1 1 6 6 CYS H H 1 8.320 0.013 . . . . . A 6 CYS H . 19978 1 36 . 1 1 6 6 CYS HA H 1 4.974 0.010 . . . . . A 6 CYS HA . 19978 1 37 . 1 1 6 6 CYS HB2 H 1 2.868 0.016 . . . . . A 6 CYS HB2 . 19978 1 38 . 1 1 6 6 CYS HB3 H 1 3.374 0.010 . . . . . A 6 CYS HB3 . 19978 1 39 . 1 1 7 7 CYS H H 1 8.255 0.010 . . . . . A 7 CYS H . 19978 1 40 . 1 1 7 7 CYS HA H 1 4.882 0.010 . . . . . A 7 CYS HA . 19978 1 41 . 1 1 7 7 CYS HB2 H 1 3.338 0.010 . . . . . A 7 CYS HB2 . 19978 1 42 . 1 1 7 7 CYS HB3 H 1 3.703 0.010 . . . . . A 7 CYS HB3 . 19978 1 43 . 1 1 8 8 THR H H 1 8.250 0.010 . . . . . A 8 THR H . 19978 1 44 . 1 1 8 8 THR HA H 1 4.136 0.011 . . . . . A 8 THR HA . 19978 1 45 . 1 1 8 8 THR HB H 1 4.424 0.015 . . . . . A 8 THR HB . 19978 1 46 . 1 1 8 8 THR HG21 H 1 1.257 0.011 . . . . . A 8 THR HG21 . 19978 1 47 . 1 1 8 8 THR HG22 H 1 1.257 0.011 . . . . . A 8 THR HG22 . 19978 1 48 . 1 1 8 8 THR HG23 H 1 1.257 0.011 . . . . . A 8 THR HG23 . 19978 1 49 . 1 1 9 9 SER H H 1 7.478 0.010 . . . . . A 9 SER H . 19978 1 50 . 1 1 9 9 SER HA H 1 4.769 0.011 . . . . . A 9 SER HA . 19978 1 51 . 1 1 9 9 SER HB2 H 1 4.033 0.016 . . . . . A 9 SER HB2 . 19978 1 52 . 1 1 9 9 SER HB3 H 1 3.900 0.012 . . . . . A 9 SER HB3 . 19978 1 53 . 1 1 10 10 ILE H H 1 7.915 0.012 . . . . . A 10 ILE H . 19978 1 54 . 1 1 10 10 ILE HA H 1 4.364 0.014 . . . . . A 10 ILE HA . 19978 1 55 . 1 1 10 10 ILE HB H 1 1.636 0.011 . . . . . A 10 ILE HB . 19978 1 56 . 1 1 10 10 ILE HG12 H 1 1.189 0.010 . . . . . A 10 ILE HG12 . 19978 1 57 . 1 1 10 10 ILE HG13 H 1 1.189 0.010 . . . . . A 10 ILE HG13 . 19978 1 58 . 1 1 10 10 ILE HG21 H 1 0.695 0.010 . . . . . A 10 ILE HG21 . 19978 1 59 . 1 1 10 10 ILE HG22 H 1 0.695 0.010 . . . . . A 10 ILE HG22 . 19978 1 60 . 1 1 10 10 ILE HG23 H 1 0.695 0.010 . . . . . A 10 ILE HG23 . 19978 1 61 . 1 1 10 10 ILE HD11 H 1 0.584 0.011 . . . . . A 10 ILE HD11 . 19978 1 62 . 1 1 10 10 ILE HD12 H 1 0.584 0.011 . . . . . A 10 ILE HD12 . 19978 1 63 . 1 1 10 10 ILE HD13 H 1 0.584 0.011 . . . . . A 10 ILE HD13 . 19978 1 64 . 1 1 11 11 CYS H H 1 9.622 0.010 . . . . . A 11 CYS H . 19978 1 65 . 1 1 12 12 SER H H 1 8.822 0.010 . . . . . A 12 SER H . 19978 1 66 . 1 1 12 12 SER HA H 1 4.607 0.010 . . . . . A 12 SER HA . 19978 1 67 . 1 1 12 12 SER HB2 H 1 4.334 0.011 . . . . . A 12 SER HB2 . 19978 1 68 . 1 1 12 12 SER HB3 H 1 4.033 0.010 . . . . . A 12 SER HB3 . 19978 1 69 . 1 1 13 13 LEU H H 1 8.677 0.011 . . . . . A 13 LEU H . 19978 1 70 . 1 1 13 13 LEU HA H 1 3.887 0.010 . . . . . A 13 LEU HA . 19978 1 71 . 1 1 13 13 LEU HB2 H 1 1.389 0.010 . . . . . A 13 LEU HB2 . 19978 1 72 . 1 1 13 13 LEU HB3 H 1 1.389 0.010 . . . . . A 13 LEU HB3 . 19978 1 73 . 1 1 13 13 LEU HG H 1 1.452 0.010 . . . . . A 13 LEU HG . 19978 1 74 . 1 1 13 13 LEU HD11 H 1 0.770 0.010 . . . . . A 13 LEU HD11 . 19978 1 75 . 1 1 13 13 LEU HD12 H 1 0.770 0.010 . . . . . A 13 LEU HD12 . 19978 1 76 . 1 1 13 13 LEU HD13 H 1 0.770 0.010 . . . . . A 13 LEU HD13 . 19978 1 77 . 1 1 13 13 LEU HD21 H 1 0.831 0.011 . . . . . A 13 LEU HD21 . 19978 1 78 . 1 1 13 13 LEU HD22 H 1 0.831 0.011 . . . . . A 13 LEU HD22 . 19978 1 79 . 1 1 13 13 LEU HD23 H 1 0.831 0.011 . . . . . A 13 LEU HD23 . 19978 1 80 . 1 1 14 14 TYR H H 1 7.545 0.014 . . . . . A 14 TYR H . 19978 1 81 . 1 1 14 14 TYR HA H 1 4.180 0.011 . . . . . A 14 TYR HA . 19978 1 82 . 1 1 14 14 TYR HB2 H 1 2.935 0.011 . . . . . A 14 TYR HB2 . 19978 1 83 . 1 1 14 14 TYR HB3 H 1 3.008 0.011 . . . . . A 14 TYR HB3 . 19978 1 84 . 1 1 14 14 TYR HD1 H 1 7.079 0.012 . . . . . A 14 TYR HD1 . 19978 1 85 . 1 1 14 14 TYR HD2 H 1 7.079 0.012 . . . . . A 14 TYR HD2 . 19978 1 86 . 1 1 14 14 TYR HE1 H 1 6.853 0.010 . . . . . A 14 TYR HE1 . 19978 1 87 . 1 1 14 14 TYR HE2 H 1 6.853 0.010 . . . . . A 14 TYR HE2 . 19978 1 88 . 1 1 15 15 GLN H H 1 7.578 0.011 . . . . . A 15 GLN H . 19978 1 89 . 1 1 15 15 GLN HA H 1 4.005 0.012 . . . . . A 15 GLN HA . 19978 1 90 . 1 1 15 15 GLN HB2 H 1 2.052 0.010 . . . . . A 15 GLN HB2 . 19978 1 91 . 1 1 15 15 GLN HB3 H 1 2.407 0.010 . . . . . A 15 GLN HB3 . 19978 1 92 . 1 1 15 15 GLN HG2 H 1 2.471 0.012 . . . . . A 15 GLN HG2 . 19978 1 93 . 1 1 15 15 GLN HG3 H 1 2.409 0.010 . . . . . A 15 GLN HG3 . 19978 1 94 . 1 1 15 15 GLN HE21 H 1 6.985 0.010 . . . . . A 15 GLN HE21 . 19978 1 95 . 1 1 16 16 LEU H H 1 8.122 0.013 . . . . . A 16 LEU H . 19978 1 96 . 1 1 16 16 LEU HA H 1 4.193 0.013 . . . . . A 16 LEU HA . 19978 1 97 . 1 1 16 16 LEU HB2 H 1 1.759 0.010 . . . . . A 16 LEU HB2 . 19978 1 98 . 1 1 16 16 LEU HB3 H 1 1.953 0.010 . . . . . A 16 LEU HB3 . 19978 1 99 . 1 1 16 16 LEU HG H 1 1.575 0.010 . . . . . A 16 LEU HG . 19978 1 100 . 1 1 16 16 LEU HD11 H 1 0.836 0.010 . . . . . A 16 LEU HD11 . 19978 1 101 . 1 1 16 16 LEU HD12 H 1 0.836 0.010 . . . . . A 16 LEU HD12 . 19978 1 102 . 1 1 16 16 LEU HD13 H 1 0.836 0.010 . . . . . A 16 LEU HD13 . 19978 1 103 . 1 1 16 16 LEU HD21 H 1 0.836 0.010 . . . . . A 16 LEU HD21 . 19978 1 104 . 1 1 16 16 LEU HD22 H 1 0.836 0.010 . . . . . A 16 LEU HD22 . 19978 1 105 . 1 1 16 16 LEU HD23 H 1 0.836 0.010 . . . . . A 16 LEU HD23 . 19978 1 106 . 1 1 17 17 GLU H H 1 8.102 0.010 . . . . . A 17 GLU H . 19978 1 107 . 1 1 17 17 GLU HA H 1 4.209 0.013 . . . . . A 17 GLU HA . 19978 1 108 . 1 1 17 17 GLU HB2 H 1 2.049 0.010 . . . . . A 17 GLU HB2 . 19978 1 109 . 1 1 17 17 GLU HB3 H 1 2.144 0.010 . . . . . A 17 GLU HB3 . 19978 1 110 . 1 1 17 17 GLU HG2 H 1 2.597 0.010 . . . . . A 17 GLU HG2 . 19978 1 111 . 1 1 17 17 GLU HG3 H 1 2.368 0.010 . . . . . A 17 GLU HG3 . 19978 1 112 . 1 1 18 18 ASN H H 1 7.427 0.011 . . . . . A 18 ASN H . 19978 1 113 . 1 1 18 18 ASN HA H 1 4.494 0.013 . . . . . A 18 ASN HA . 19978 1 114 . 1 1 18 18 ASN HB2 H 1 2.635 0.011 . . . . . A 18 ASN HB2 . 19978 1 115 . 1 1 18 18 ASN HB3 H 1 2.557 0.010 . . . . . A 18 ASN HB3 . 19978 1 116 . 1 1 18 18 ASN HD21 H 1 6.577 0.010 . . . . . A 18 ASN HD21 . 19978 1 117 . 1 1 18 18 ASN HD22 H 1 7.189 0.010 . . . . . A 18 ASN HD22 . 19978 1 118 . 1 1 19 19 TYR H H 1 7.945 0.011 . . . . . A 19 TYR H . 19978 1 119 . 1 1 19 19 TYR HA H 1 4.443 0.012 . . . . . A 19 TYR HA . 19978 1 120 . 1 1 19 19 TYR HB2 H 1 3.386 0.014 . . . . . A 19 TYR HB2 . 19978 1 121 . 1 1 19 19 TYR HB3 H 1 2.976 0.011 . . . . . A 19 TYR HB3 . 19978 1 122 . 1 1 19 19 TYR HD1 H 1 7.353 0.010 . . . . . A 19 TYR HD1 . 19978 1 123 . 1 1 19 19 TYR HD2 H 1 7.353 0.010 . . . . . A 19 TYR HD2 . 19978 1 124 . 1 1 19 19 TYR HE1 H 1 6.788 0.012 . . . . . A 19 TYR HE1 . 19978 1 125 . 1 1 19 19 TYR HE2 H 1 6.788 0.012 . . . . . A 19 TYR HE2 . 19978 1 126 . 1 1 20 20 CYS H H 1 7.423 0.012 . . . . . A 20 CYS H . 19978 1 127 . 1 1 20 20 CYS HA H 1 4.943 0.016 . . . . . A 20 CYS HA . 19978 1 128 . 1 1 20 20 CYS HB2 H 1 2.854 0.011 . . . . . A 20 CYS HB2 . 19978 1 129 . 1 1 20 20 CYS HB3 H 1 3.271 0.013 . . . . . A 20 CYS HB3 . 19978 1 130 . 1 1 21 21 ASN H H 1 8.294 0.011 . . . . . A 21 ASN H . 19978 1 131 . 1 1 21 21 ASN HA H 1 4.746 0.010 . . . . . A 21 ASN HA . 19978 1 132 . 1 1 21 21 ASN HB2 H 1 2.895 0.016 . . . . . A 21 ASN HB2 . 19978 1 133 . 1 1 21 21 ASN HB3 H 1 2.757 0.011 . . . . . A 21 ASN HB3 . 19978 1 134 . 1 1 21 21 ASN HD21 H 1 7.530 0.010 . . . . . A 21 ASN HD21 . 19978 1 135 . 1 1 21 21 ASN HD22 H 1 6.674 0.011 . . . . . A 21 ASN HD22 . 19978 1 136 . 2 2 1 1 PHE HA H 1 4.290 0.011 . . . . . . 31 PHE HA . 19978 1 137 . 2 2 1 1 PHE HB2 H 1 3.185 0.012 . . . . . . 31 PHE QB . 19978 1 138 . 2 2 1 1 PHE HB3 H 1 3.185 0.012 . . . . . . 31 PHE QB . 19978 1 139 . 2 2 1 1 PHE HD1 H 1 7.243 0.012 . . . . . . 31 PHE QD . 19978 1 140 . 2 2 1 1 PHE HD2 H 1 7.243 0.012 . . . . . . 31 PHE QD . 19978 1 141 . 2 2 1 1 PHE HE1 H 1 7.380 0.010 . . . . . . 31 PHE QE . 19978 1 142 . 2 2 1 1 PHE HE2 H 1 7.380 0.010 . . . . . . 31 PHE QE . 19978 1 143 . 2 2 2 2 VAL H H 1 8.215 0.012 . . . . . . 32 VAL H . 19978 1 144 . 2 2 2 2 VAL HA H 1 4.135 0.012 . . . . . . 32 VAL HA . 19978 1 145 . 2 2 2 2 VAL HB H 1 1.925 0.012 . . . . . . 32 VAL HB . 19978 1 146 . 2 2 2 2 VAL HG11 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 147 . 2 2 2 2 VAL HG12 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 148 . 2 2 2 2 VAL HG13 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 149 . 2 2 2 2 VAL HG21 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 150 . 2 2 2 2 VAL HG22 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 151 . 2 2 2 2 VAL HG23 H 1 0.877 0.015 . . . . . . 32 VAL QQG . 19978 1 152 . 2 2 3 3 ASN H H 1 8.521 0.011 . . . . . . 33 ASN H . 19978 1 153 . 2 2 3 3 ASN HA H 1 4.731 0.010 . . . . . . 33 ASN HA . 19978 1 154 . 2 2 3 3 ASN HB2 H 1 2.770 0.012 . . . . . . 33 ASN QB . 19978 1 155 . 2 2 3 3 ASN HB3 H 1 2.770 0.012 . . . . . . 33 ASN QB . 19978 1 156 . 2 2 3 3 ASN HD21 H 1 7.613 0.010 . . . . . . 33 ASN HD21 . 19978 1 157 . 2 2 3 3 ASN HD22 H 1 6.973 0.010 . . . . . . 33 ASN HD22 . 19978 1 158 . 2 2 4 4 GLN H H 1 8.530 0.012 . . . . . . 34 GLN H . 19978 1 159 . 2 2 4 4 GLN HA H 1 4.444 0.013 . . . . . . 34 GLN HA . 19978 1 160 . 2 2 4 4 GLN HB2 H 1 2.115 0.010 . . . . . . 34 GLN HB2 . 19978 1 161 . 2 2 4 4 GLN HB3 H 1 1.950 0.010 . . . . . . 34 GLN HB3 . 19978 1 162 . 2 2 4 4 GLN HG2 H 1 2.298 0.010 . . . . . . 34 GLN HG2 . 19978 1 163 . 2 2 4 4 GLN HG3 H 1 2.202 0.010 . . . . . . 34 GLN HG3 . 19978 1 164 . 2 2 4 4 GLN HE21 H 1 7.092 0.010 . . . . . . 34 GLN HE21 . 19978 1 165 . 2 2 4 4 GLN HE22 H 1 6.803 0.010 . . . . . . 34 GLN HE22 . 19978 1 166 . 2 2 5 5 HIS H H 1 8.660 0.014 . . . . . . 35 HIS H . 19978 1 167 . 2 2 5 5 HIS HA H 1 4.485 0.012 . . . . . . 35 HIS HA . 19978 1 168 . 2 2 5 5 HIS HB2 H 1 3.537 0.011 . . . . . . 35 HIS HB2 . 19978 1 169 . 2 2 5 5 HIS HB3 H 1 3.293 0.012 . . . . . . 35 HIS HB3 . 19978 1 170 . 2 2 5 5 HIS HD2 H 1 7.397 0.010 . . . . . . 35 HIS HD2 . 19978 1 171 . 2 2 5 5 HIS HE1 H 1 8.623 0.010 . . . . . . 35 HIS HE1 . 19978 1 172 . 2 2 6 6 LEU H H 1 8.448 0.015 . . . . . . 36 LEU H . 19978 1 173 . 2 2 6 6 LEU HA H 1 4.278 0.012 . . . . . . 36 LEU HA . 19978 1 174 . 2 2 6 6 LEU HB2 H 1 1.841 0.013 . . . . . . 36 LEU QB . 19978 1 175 . 2 2 6 6 LEU HB3 H 1 1.841 0.013 . . . . . . 36 LEU QB . 19978 1 176 . 2 2 6 6 LEU HG H 1 1.469 0.010 . . . . . . 36 LEU HG . 19978 1 177 . 2 2 6 6 LEU HD11 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 178 . 2 2 6 6 LEU HD12 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 179 . 2 2 6 6 LEU HD13 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 180 . 2 2 6 6 LEU HD21 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 181 . 2 2 6 6 LEU HD22 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 182 . 2 2 6 6 LEU HD23 H 1 0.902 0.010 . . . . . . 36 LEU QQD . 19978 1 183 . 2 2 7 7 CYS H H 1 8.255 0.012 . . . . . . 37 CYS H . 19978 1 184 . 2 2 7 7 CYS HB2 H 1 3.204 0.010 . . . . . . 37 CYS HB2 . 19978 1 185 . 2 2 7 7 CYS HB3 H 1 3.070 0.010 . . . . . . 37 CYS HB3 . 19978 1 186 . 2 2 8 8 AIB H H 1 9.120 0.018 . . . . . . 38 AIB H . 19978 1 187 . 2 2 8 8 AIB HB11 H 1 1.484 0.011 . . . . . . 38 AIB QB1 . 19978 1 188 . 2 2 8 8 AIB HB12 H 1 1.484 0.011 . . . . . . 38 AIB QB1 . 19978 1 189 . 2 2 8 8 AIB HB13 H 1 1.484 0.011 . . . . . . 38 AIB QB1 . 19978 1 190 . 2 2 8 8 AIB HB21 H 1 1.637 0.013 . . . . . . 38 AIB QB2 . 19978 1 191 . 2 2 8 8 AIB HB22 H 1 1.637 0.013 . . . . . . 38 AIB QB2 . 19978 1 192 . 2 2 8 8 AIB HB23 H 1 1.637 0.013 . . . . . . 38 AIB QB2 . 19978 1 193 . 2 2 9 9 SER H H 1 7.982 0.011 . . . . . . 39 SER H . 19978 1 194 . 2 2 9 9 SER HA H 1 4.099 0.011 . . . . . . 39 SER HA . 19978 1 195 . 2 2 9 9 SER HB2 H 1 3.964 0.010 . . . . . . 39 SER HB2 . 19978 1 196 . 2 2 9 9 SER HB3 H 1 3.930 0.010 . . . . . . 39 SER HB3 . 19978 1 197 . 2 2 10 10 HIS H H 1 8.079 0.012 . . . . . . 40 HIS H . 19978 1 198 . 2 2 10 10 HIS HA H 1 4.545 0.013 . . . . . . 40 HIS HA . 19978 1 199 . 2 2 10 10 HIS HB2 H 1 3.583 0.014 . . . . . . 40 HIS HB2 . 19978 1 200 . 2 2 10 10 HIS HB3 H 1 3.332 0.012 . . . . . . 40 HIS HB3 . 19978 1 201 . 2 2 10 10 HIS HD2 H 1 7.450 0.013 . . . . . . 40 HIS HD2 . 19978 1 202 . 2 2 10 10 HIS HE1 H 1 8.729 0.010 . . . . . . 40 HIS HE1 . 19978 1 203 . 2 2 11 11 LEU HA H 1 4.035 0.012 . . . . . . 41 LEU HA . 19978 1 204 . 2 2 11 11 LEU HB2 H 1 1.404 0.010 . . . . . . 41 LEU HB2 . 19978 1 205 . 2 2 11 11 LEU HG H 1 1.328 0.010 . . . . . . 41 LEU HG . 19978 1 206 . 2 2 11 11 LEU HD11 H 1 0.799 0.010 . . . . . . 41 LEU QD1 . 19978 1 207 . 2 2 11 11 LEU HD12 H 1 0.799 0.010 . . . . . . 41 LEU QD1 . 19978 1 208 . 2 2 11 11 LEU HD13 H 1 0.799 0.010 . . . . . . 41 LEU QD1 . 19978 1 209 . 2 2 11 11 LEU HD21 H 1 0.734 0.012 . . . . . . 41 LEU QD2 . 19978 1 210 . 2 2 11 11 LEU HD22 H 1 0.734 0.012 . . . . . . 41 LEU QD2 . 19978 1 211 . 2 2 11 11 LEU HD23 H 1 0.734 0.012 . . . . . . 41 LEU QD2 . 19978 1 212 . 2 2 12 12 VAL H H 1 7.643 0.011 . . . . . . 42 VAL H . 19978 1 213 . 2 2 12 12 VAL HA H 1 3.333 0.010 . . . . . . 42 VAL HA . 19978 1 214 . 2 2 12 12 VAL HB H 1 2.066 0.010 . . . . . . 42 VAL HB . 19978 1 215 . 2 2 12 12 VAL HG11 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 216 . 2 2 12 12 VAL HG12 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 217 . 2 2 12 12 VAL HG13 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 218 . 2 2 12 12 VAL HG21 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 219 . 2 2 12 12 VAL HG22 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 220 . 2 2 12 12 VAL HG23 H 1 0.966 0.011 . . . . . . 42 VAL QQG . 19978 1 221 . 2 2 13 13 GLU H H 1 7.908 0.012 . . . . . . 43 GLU H . 19978 1 222 . 2 2 13 13 GLU HA H 1 4.145 0.013 . . . . . . 43 GLU HA . 19978 1 223 . 2 2 13 13 GLU HB2 H 1 2.206 0.010 . . . . . . 43 GLU HB2 . 19978 1 224 . 2 2 13 13 GLU HB3 H 1 2.117 0.010 . . . . . . 43 GLU HB3 . 19978 1 225 . 2 2 13 13 GLU HG2 H 1 2.583 0.010 . . . . . . 43 GLU HG2 . 19978 1 226 . 2 2 13 13 GLU HG3 H 1 2.370 0.010 . . . . . . 43 GLU HG3 . 19978 1 227 . 2 2 14 14 ALA H H 1 7.735 0.012 . . . . . . 44 ALA H . 19978 1 228 . 2 2 14 14 ALA HA H 1 4.122 0.011 . . . . . . 44 ALA HA . 19978 1 229 . 2 2 14 14 ALA HB1 H 1 1.496 0.010 . . . . . . 44 ALA QB . 19978 1 230 . 2 2 14 14 ALA HB2 H 1 1.496 0.010 . . . . . . 44 ALA QB . 19978 1 231 . 2 2 14 14 ALA HB3 H 1 1.496 0.010 . . . . . . 44 ALA QB . 19978 1 232 . 2 2 15 15 LEU H H 1 8.171 0.010 . . . . . . 45 LEU H . 19978 1 233 . 2 2 15 15 LEU HA H 1 3.885 0.011 . . . . . . 45 LEU HA . 19978 1 234 . 2 2 15 15 LEU HB2 H 1 1.316 0.010 . . . . . . 45 LEU QB . 19978 1 235 . 2 2 15 15 LEU HB3 H 1 1.316 0.010 . . . . . . 45 LEU QB . 19978 1 236 . 2 2 15 15 LEU HG H 1 1.510 0.010 . . . . . . 45 LEU HG . 19978 1 237 . 2 2 15 15 LEU HD11 H 1 0.456 0.010 . . . . . . 45 LEU QD1 . 19978 1 238 . 2 2 15 15 LEU HD12 H 1 0.456 0.010 . . . . . . 45 LEU QD1 . 19978 1 239 . 2 2 15 15 LEU HD13 H 1 0.456 0.010 . . . . . . 45 LEU QD1 . 19978 1 240 . 2 2 15 15 LEU HD21 H 1 0.683 0.015 . . . . . . 45 LEU QD2 . 19978 1 241 . 2 2 15 15 LEU HD22 H 1 0.683 0.015 . . . . . . 45 LEU QD2 . 19978 1 242 . 2 2 15 15 LEU HD23 H 1 0.683 0.015 . . . . . . 45 LEU QD2 . 19978 1 243 . 2 2 16 16 TYR H H 1 8.141 0.012 . . . . . . 46 TYR H . 19978 1 244 . 2 2 16 16 TYR HA H 1 4.297 0.010 . . . . . . 46 TYR HA . 19978 1 245 . 2 2 16 16 TYR HB2 H 1 3.165 0.011 . . . . . . 46 TYR QB . 19978 1 246 . 2 2 16 16 TYR HB3 H 1 3.165 0.011 . . . . . . 46 TYR QB . 19978 1 247 . 2 2 16 16 TYR HD1 H 1 7.173 0.013 . . . . . . 46 TYR QD . 19978 1 248 . 2 2 16 16 TYR HD2 H 1 7.173 0.013 . . . . . . 46 TYR QD . 19978 1 249 . 2 2 16 16 TYR HE1 H 1 6.803 0.012 . . . . . . 46 TYR QE . 19978 1 250 . 2 2 16 16 TYR HE2 H 1 6.803 0.012 . . . . . . 46 TYR QE . 19978 1 251 . 2 2 17 17 LEU H H 1 7.798 0.014 . . . . . . 47 LEU H . 19978 1 252 . 2 2 17 17 LEU HA H 1 4.111 0.010 . . . . . . 47 LEU HA . 19978 1 253 . 2 2 17 17 LEU HB2 H 1 1.953 0.014 . . . . . . 47 LEU HB2 . 19978 1 254 . 2 2 17 17 LEU HB3 H 1 1.685 0.013 . . . . . . 47 LEU HB3 . 19978 1 255 . 2 2 17 17 LEU HG H 1 1.857 0.015 . . . . . . 47 LEU HG . 19978 1 256 . 2 2 17 17 LEU HD11 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 257 . 2 2 17 17 LEU HD12 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 258 . 2 2 17 17 LEU HD13 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 259 . 2 2 17 17 LEU HD21 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 260 . 2 2 17 17 LEU HD22 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 261 . 2 2 17 17 LEU HD23 H 1 0.961 0.010 . . . . . . 47 LEU QQD . 19978 1 262 . 2 2 18 18 VAL H H 1 8.557 0.011 . . . . . . 48 VAL H . 19978 1 263 . 2 2 18 18 VAL HA H 1 3.883 0.011 . . . . . . 48 VAL HA . 19978 1 264 . 2 2 18 18 VAL HB H 1 2.112 0.016 . . . . . . 48 VAL HB . 19978 1 265 . 2 2 18 18 VAL HG11 H 1 1.036 0.010 . . . . . . 48 VAL QG1 . 19978 1 266 . 2 2 18 18 VAL HG12 H 1 1.036 0.010 . . . . . . 48 VAL QG1 . 19978 1 267 . 2 2 18 18 VAL HG13 H 1 1.036 0.010 . . . . . . 48 VAL QG1 . 19978 1 268 . 2 2 18 18 VAL HG21 H 1 0.897 0.011 . . . . . . 48 VAL QG2 . 19978 1 269 . 2 2 18 18 VAL HG22 H 1 0.897 0.011 . . . . . . 48 VAL QG2 . 19978 1 270 . 2 2 18 18 VAL HG23 H 1 0.897 0.011 . . . . . . 48 VAL QG2 . 19978 1 271 . 2 2 19 19 CYS H H 1 8.755 0.011 . . . . . . 49 CYS H . 19978 1 272 . 2 2 19 19 CYS HA H 1 4.805 0.010 . . . . . . 49 CYS HA . 19978 1 273 . 2 2 19 19 CYS HB2 H 1 3.281 0.013 . . . . . . 49 CYS HB2 . 19978 1 274 . 2 2 19 19 CYS HB3 H 1 2.953 0.012 . . . . . . 49 CYS HB3 . 19978 1 275 . 2 2 20 20 GLY H H 1 7.718 0.012 . . . . . . 50 GLY H . 19978 1 276 . 2 2 20 20 GLY HA2 H 1 3.968 0.011 . . . . . . 50 GLY QA . 19978 1 277 . 2 2 20 20 GLY HA3 H 1 3.968 0.011 . . . . . . 50 GLY QA . 19978 1 278 . 2 2 21 21 GLU H H 1 8.544 0.011 . . . . . . 51 GLU H . 19978 1 279 . 2 2 21 21 GLU HA H 1 4.245 0.013 . . . . . . 51 GLU HA . 19978 1 280 . 2 2 21 21 GLU HB2 H 1 2.110 0.010 . . . . . . 51 GLU QB . 19978 1 281 . 2 2 21 21 GLU HB3 H 1 2.110 0.010 . . . . . . 51 GLU QB . 19978 1 282 . 2 2 21 21 GLU HG2 H 1 2.213 0.010 . . . . . . 51 GLU HG2 . 19978 1 283 . 2 2 21 21 GLU HG3 H 1 2.552 0.010 . . . . . . 51 GLU HG3 . 19978 1 284 . 2 2 22 22 ARG H H 1 8.030 0.013 . . . . . . 52 ARG H . 19978 1 285 . 2 2 22 22 ARG HA H 1 4.222 0.012 . . . . . . 52 ARG HA . 19978 1 286 . 2 2 22 22 ARG HB2 H 1 1.996 0.010 . . . . . . 52 ARG QB . 19978 1 287 . 2 2 22 22 ARG HB3 H 1 1.996 0.010 . . . . . . 52 ARG QB . 19978 1 288 . 2 2 22 22 ARG HG2 H 1 1.800 0.010 . . . . . . 52 ARG HG2 . 19978 1 289 . 2 2 22 22 ARG HG3 H 1 1.775 0.010 . . . . . . 52 ARG HG3 . 19978 1 290 . 2 2 22 22 ARG HD2 H 1 3.287 0.011 . . . . . . 52 ARG QD . 19978 1 291 . 2 2 22 22 ARG HD3 H 1 3.287 0.011 . . . . . . 52 ARG QD . 19978 1 292 . 2 2 22 22 ARG HE H 1 7.145 0.010 . . . . . . 52 ARG HE . 19978 1 293 . 2 2 23 23 GLY H H 1 7.654 0.011 . . . . . . 53 GLY H . 19978 1 294 . 2 2 23 23 GLY HA2 H 1 4.045 0.012 . . . . . . 53 GLY HA2 . 19978 1 295 . 2 2 23 23 GLY HA3 H 1 3.848 0.011 . . . . . . 53 GLY HA3 . 19978 1 296 . 2 2 24 24 PHE H H 1 7.726 0.011 . . . . . . 54 PHE H . 19978 1 297 . 2 2 24 24 PHE HA H 1 4.894 0.014 . . . . . . 54 PHE HA . 19978 1 298 . 2 2 24 24 PHE HB2 H 1 3.155 0.012 . . . . . . 54 PHE HB2 . 19978 1 299 . 2 2 24 24 PHE HB3 H 1 2.931 0.015 . . . . . . 54 PHE HB3 . 19978 1 300 . 2 2 24 24 PHE HD1 H 1 6.896 0.011 . . . . . . 54 PHE QD . 19978 1 301 . 2 2 24 24 PHE HD2 H 1 6.896 0.011 . . . . . . 54 PHE QD . 19978 1 302 . 2 2 24 24 PHE HE1 H 1 7.045 0.010 . . . . . . 54 PHE QE . 19978 1 303 . 2 2 24 24 PHE HE2 H 1 7.045 0.010 . . . . . . 54 PHE QE . 19978 1 304 . 2 2 25 25 PHE H H 1 8.348 0.012 . . . . . . 55 PHE H . 19978 1 305 . 2 2 25 25 PHE HA H 1 4.704 0.012 . . . . . . 55 PHE HA . 19978 1 306 . 2 2 25 25 PHE HB2 H 1 3.140 0.014 . . . . . . 55 PHE HB2 . 19978 1 307 . 2 2 25 25 PHE HB3 H 1 3.070 0.011 . . . . . . 55 PHE HB3 . 19978 1 308 . 2 2 25 25 PHE HD1 H 1 7.201 0.012 . . . . . . 55 PHE QD . 19978 1 309 . 2 2 25 25 PHE HD2 H 1 7.201 0.012 . . . . . . 55 PHE QD . 19978 1 310 . 2 2 25 25 PHE HE1 H 1 7.290 0.010 . . . . . . 55 PHE QE . 19978 1 311 . 2 2 25 25 PHE HE2 H 1 7.290 0.010 . . . . . . 55 PHE QE . 19978 1 312 . 2 2 26 26 TYR H H 1 8.040 0.013 . . . . . . 56 TYR H . 19978 1 313 . 2 2 26 26 TYR HA H 1 4.639 0.012 . . . . . . 56 TYR HA . 19978 1 314 . 2 2 26 26 TYR HB2 H 1 2.985 0.016 . . . . . . 56 TYR HB2 . 19978 1 315 . 2 2 26 26 TYR HB3 H 1 2.958 0.011 . . . . . . 56 TYR HB3 . 19978 1 316 . 2 2 26 26 TYR HD1 H 1 7.049 0.012 . . . . . . 56 TYR QD . 19978 1 317 . 2 2 26 26 TYR HD2 H 1 7.049 0.012 . . . . . . 56 TYR QD . 19978 1 318 . 2 2 26 26 TYR HE1 H 1 6.761 0.010 . . . . . . 56 TYR QE . 19978 1 319 . 2 2 26 26 TYR HE2 H 1 6.761 0.010 . . . . . . 56 TYR QE . 19978 1 320 . 2 2 27 27 THR H H 1 7.822 0.012 . . . . . . 57 THR H . 19978 1 321 . 2 2 27 27 THR HA H 1 4.346 0.010 . . . . . . 57 THR HA . 19978 1 322 . 2 2 27 27 THR HB H 1 4.109 0.011 . . . . . . 57 THR HB . 19978 1 323 . 2 2 27 27 THR HG21 H 1 1.165 0.010 . . . . . . 57 THR QG2 . 19978 1 324 . 2 2 27 27 THR HG22 H 1 1.165 0.010 . . . . . . 57 THR QG2 . 19978 1 325 . 2 2 27 27 THR HG23 H 1 1.165 0.010 . . . . . . 57 THR QG2 . 19978 1 326 . 2 2 28 28 LYS H H 1 8.209 0.011 . . . . . . 58 LYS H . 19978 1 327 . 2 2 28 28 LYS HA H 1 4.497 0.013 . . . . . . 58 LYS HA . 19978 1 328 . 2 2 28 28 LYS HB2 H 1 1.832 0.010 . . . . . . 58 LYS HB2 . 19978 1 329 . 2 2 28 28 LYS HB3 H 1 1.747 0.010 . . . . . . 58 LYS HB3 . 19978 1 330 . 2 2 28 28 LYS HG2 H 1 1.472 0.010 . . . . . . 58 LYS QG . 19978 1 331 . 2 2 28 28 LYS HG3 H 1 1.472 0.010 . . . . . . 58 LYS QG . 19978 1 332 . 2 2 28 28 LYS HD2 H 1 1.697 0.010 . . . . . . 58 LYS QD . 19978 1 333 . 2 2 28 28 LYS HD3 H 1 1.697 0.010 . . . . . . 58 LYS QD . 19978 1 334 . 2 2 28 28 LYS HE2 H 1 3.006 0.012 . . . . . . 58 LYS QE . 19978 1 335 . 2 2 28 28 LYS HE3 H 1 3.006 0.012 . . . . . . 58 LYS QE . 19978 1 336 . 2 2 29 29 PRO HA H 1 4.525 0.011 . . . . . . 59 PRO HA . 19978 1 337 . 2 2 29 29 PRO HB2 H 1 2.297 0.012 . . . . . . 59 PRO QB . 19978 1 338 . 2 2 29 29 PRO HB3 H 1 2.297 0.012 . . . . . . 59 PRO QB . 19978 1 339 . 2 2 29 29 PRO HG2 H 1 1.985 0.010 . . . . . . 59 PRO QG . 19978 1 340 . 2 2 29 29 PRO HG3 H 1 1.985 0.010 . . . . . . 59 PRO QG . 19978 1 341 . 2 2 29 29 PRO HD2 H 1 3.816 0.012 . . . . . . 59 PRO HD2 . 19978 1 342 . 2 2 29 29 PRO HD3 H 1 3.655 0.011 . . . . . . 59 PRO HD3 . 19978 1 343 . 2 2 30 30 THR H H 1 8.114 0.013 . . . . . . 60 THR H . 19978 1 344 . 2 2 30 30 THR HA H 1 4.433 0.010 . . . . . . 60 THR HA . 19978 1 345 . 2 2 30 30 THR HB H 1 4.403 0.010 . . . . . . 60 THR HB . 19978 1 346 . 2 2 30 30 THR HG21 H 1 1.231 0.010 . . . . . . 60 THR QG2 . 19978 1 347 . 2 2 30 30 THR HG22 H 1 1.231 0.010 . . . . . . 60 THR QG2 . 19978 1 348 . 2 2 30 30 THR HG23 H 1 1.231 0.010 . . . . . . 60 THR QG2 . 19978 1 stop_ save_