data_11016 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Humal Insulin Mutant B31Lys -B32Arg ; _BMRB_accession_number 11016 _BMRB_flat_file_name bmr11016.str _Entry_type new _Submission_date 2007-12-06 _Accession_date 2007-12-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocian Wojciech . . 2 Kozerski Lech . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 302 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-29 update BMRB 'complete entry citation' 2008-06-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water /acetonitrile solution. Comparison with the solution structure of native human insulin monomer.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18491415 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocian Wojciech . . 2 Borowicz Piotr . . 3 Mikolajczyk Jerzy . . 4 Sitkowski Jerzy . . 5 Tarnowska Anna . . 6 Bednarek Elzbieta . . 7 Glabski Tadeusz . . 8 Tejchman-Malecka Bozena . . 9 Bogiel Monika . . 10 Kozerski Lech . . stop_ _Journal_abbreviation Biopolymers _Journal_volume 89 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 820 _Page_last 830 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Lysarg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Chain A' $entity_1 'Chain B' $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chain A' _Molecular_mass 2383.700 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence ; GIVEQCCTSICSLYQLENYC N ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 VAL 4 GLU 5 GLN 6 CYS 7 CYS 8 THR 9 SER 10 ILE 11 CYS 12 SER 13 LEU 14 TYR 15 GLN 16 LEU 17 GLU 18 ASN 19 TYR 20 CYS 21 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1000 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1002 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1004 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1006 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1008 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1010 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1012 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1014 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1016 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1018 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1020 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1022 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 1023 "insulin B chain" 95.24 42 100.00 100.00 9.97e-04 BMRB 1344 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 15464 "chain A" 100.00 21 100.00 100.00 1.44e-04 BMRB 1585 "insulin A chain" 95.24 21 100.00 100.00 1.22e-03 BMRB 1587 "insulin A chain" 95.24 21 100.00 100.00 1.22e-03 BMRB 16026 INSULIN_A_CHAIN 100.00 21 100.00 100.00 1.44e-04 BMRB 16027 INSULIN_A_CHAIN 100.00 21 100.00 100.00 1.44e-04 BMRB 1632 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 16343 INSULIN_A_CHAIN 100.00 21 100.00 100.00 1.44e-04 BMRB 16608 Proinsulin 100.00 86 100.00 100.00 5.69e-05 BMRB 16663 "entity, chain 1" 100.00 21 100.00 100.00 1.44e-04 BMRB 16915 "entity, chain 1" 100.00 22 100.00 100.00 1.53e-04 BMRB 17107 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 1761 "insulin A chain" 100.00 21 100.00 100.00 1.44e-04 BMRB 17803 "InsulinGR 1" 100.00 22 100.00 100.00 1.53e-04 BMRB 18858 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 18859 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 18921 chain_A 100.00 21 100.00 100.00 1.44e-04 BMRB 18923 chain_A 100.00 21 100.00 100.00 1.44e-04 BMRB 18924 chain_A 100.00 21 100.00 100.00 1.44e-04 BMRB 18925 chain_A 100.00 21 100.00 100.00 1.44e-04 BMRB 19822 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 19978 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 19979 entity 100.00 51 100.00 100.00 1.15e-04 BMRB 20052 Human_Insulin_A-chain_peptide 71.43 15 100.00 100.00 4.34e+00 BMRB 20053 Insulin_A-chain_variant_peptide 71.43 17 100.00 100.00 3.12e+00 BMRB 25260 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 25261 entity_1 100.00 21 100.00 100.00 1.44e-04 BMRB 4266 [D-AlaB26]destetra(B27-B30)insulin-B26-amide 100.00 47 100.00 100.00 1.02e-04 PDB 1A7F "Insulin Mutant B16 Glu, B24 Gly, Des-B30, Nmr, 20 Structures" 100.00 21 100.00 100.00 1.44e-04 PDB 1AI0 "R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures" 100.00 21 100.00 100.00 1.44e-04 PDB 1AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 1B9E "Human Insulin Mutant Serb9glu" 100.00 21 100.00 100.00 1.44e-04 PDB 1BEN "Insulin Complexed With 4-Hydroxybenzamide" 95.24 21 100.00 100.00 1.22e-03 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 1.44e-04 PDB 1DEI "Desheptapeptide (B24-B30) Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1EFE "An Active Mini-Proinsulin, M2pi" 100.00 60 100.00 100.00 8.26e-05 PDB 1EV3 "Structure Of The Rhombohedral Form Of The M-cresol/insulin R6 Hexamer" 100.00 21 100.00 100.00 1.44e-04 PDB 1EV6 "Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer" 100.00 21 100.00 100.00 1.44e-04 PDB 1EVR "The Structure Of The ResorcinolINSULIN R6 HEXAMER" 100.00 21 100.00 100.00 1.44e-04 PDB 1FU2 "First Protein Structure Determined From X-Ray Powder Diffraction Data" 100.00 21 100.00 100.00 1.44e-04 PDB 1FUB "First Protein Structure Determined From X-Ray Powder Diffraction Data" 100.00 21 100.00 100.00 1.44e-04 PDB 1G7A "1.2 A Structure Of T3r3 Human Insulin At 100 K" 100.00 21 100.00 100.00 1.44e-04 PDB 1G7B "1.3 A Structure Of T3r3 Human Insulin At 100 K" 100.00 21 100.00 100.00 1.44e-04 PDB 1GUJ "Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation." 100.00 21 100.00 100.00 1.44e-04 PDB 1HIQ "Paradoxical Structure And Function In A Mutant Human Insulin Associated With Diabetes Mellitus" 100.00 21 100.00 100.00 1.44e-04 PDB 1HIS "Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis." 100.00 21 100.00 100.00 1.44e-04 PDB 1HIT "Receptor Binding Redefined By A Structural Switch In A Mutant Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1HLS "Nmr Structure Of The Human Insulin-His(B16)" 100.00 21 100.00 100.00 1.44e-04 PDB 1HTV "Crystal Structure Of Destripeptide (B28-B30) Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1HUI "Insulin Mutant (B1, B10, B16, B27)glu, Des-B30, Nmr, 25 Structures" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 1JCO "Solution Structure Of The Monomeric [thr(B27)->pro,Pro(B28)- >thr] Insulin Mutant (Pt Insulin)" 100.00 21 100.00 100.00 1.44e-04 PDB 1LPH "Lys(B28)pro(B29)-Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1M5A "Crystal Structure Of 2-Co(2+)-Insulin At 1.2a Resolution" 100.00 21 100.00 100.00 1.44e-04 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 1.22e-03 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 1.44e-04 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 1.44e-04 PDB 1MSO "T6 Human Insulin At 1.0 A Resolution" 100.00 21 100.00 100.00 1.44e-04 PDB 1OS3 "Dehydrated T6 Human Insulin At 100 K" 100.00 21 100.00 100.00 1.44e-04 PDB 1OS4 "Dehydrated T6 Human Insulin At 295 K" 100.00 21 100.00 100.00 1.44e-04 PDB 1QIY "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Phenol" 100.00 21 100.00 100.00 1.44e-04 PDB 1QIZ "Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Resorcinol" 100.00 21 100.00 100.00 1.44e-04 PDB 1QJ0 "Human Insulin Hexamers With Chain B His Mutated To Tyr" 100.00 21 100.00 100.00 1.44e-04 PDB 1SDB "Porcine Desb1-2 Despentapeptide(B26-B30) Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1SF1 "Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.09e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 1TRZ "Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer" 100.00 21 100.00 100.00 1.44e-04 PDB 1TYL "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 100.00 21 100.00 100.00 1.44e-04 PDB 1TYM "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 100.00 21 100.00 100.00 1.44e-04 PDB 1UZ9 "Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins." 100.00 21 100.00 100.00 1.44e-04 PDB 1W8P "Structural Properties Of The B25tyr-Nme-B26phe Insulin Mutant." 100.00 21 100.00 100.00 1.44e-04 PDB 1WAV "Crystal Structure Of Form B Monoclinic Crystal Of Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1XDA "Structure Of Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1XGL "Human Insulin Disulfide Isomer, Nmr, 10 Structures" 100.00 21 100.00 100.00 1.44e-04 PDB 1ZEG "Structure Of B28 Asp Insulin In Complex With Phenol" 100.00 21 100.00 100.00 1.44e-04 PDB 1ZEH "Structure Of Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 1ZEI "Cross-Linked B28 Asp Insulin" 100.00 53 100.00 100.00 8.01e-05 PDB 1ZNI Insulin 100.00 21 100.00 100.00 1.44e-04 PDB 1ZNJ "Insulin, Monoclinic Crystal Form" 100.00 21 100.00 100.00 1.44e-04 PDB 2AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures" 100.00 21 100.00 100.00 1.44e-04 PDB 2C8Q "Insuline(1sec) And Uv Laser Excited Fluorescence" 100.00 21 100.00 100.00 1.44e-04 PDB 2C8R "Insuline(60sec) And Uv Laser Excited Fluorescence" 100.00 21 100.00 100.00 1.44e-04 PDB 2CEU "Despentapeptide Insulin In Acetic Acid (Ph 2)" 100.00 21 100.00 100.00 1.44e-04 PDB 2EFA "Neutron Crystal Structure Of Cubic Insulin At Pd6.6" 100.00 21 100.00 100.00 1.44e-04 PDB 2G4M "Insulin Collected At 2.0 A Wavelength" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 2HIU "Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 PDB 2JV1 "Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures" 100.00 21 100.00 100.00 1.44e-04 PDB 2K91 "Enhancing The Activity Of Insulin By Stereospecific Unfolding" 100.00 21 100.00 100.00 1.44e-04 PDB 2K9R "Enhancing The Activity Of Insulin By Stereospecific Unfolding" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 2KQP "Nmr Structure Of Proinsulin" 100.00 86 100.00 100.00 5.69e-05 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 1.44e-04 PDB 2KXK "Human Insulin Mutant A22gly-B31lys-B32arg" 100.00 22 100.00 100.00 1.53e-04 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 1.44e-04 PDB 2LGB "Modified A22gly-B31arg Human Insulin" 100.00 22 100.00 100.00 1.53e-04 PDB 2M1D "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water/acetonitrile Solutions." 100.00 21 100.00 100.00 1.44e-04 PDB 2M1E "Biosynthetic Engineered B28k-b29p Human Insulin Monomer Structure In In Water Solutions." 100.00 21 100.00 100.00 1.44e-04 PDB 2M2M "Structure Of [l-hisb24] Insulin Analogue At Ph 1.9" 100.00 21 100.00 100.00 1.44e-04 PDB 2M2N "Structure Of [l-hisb24] Insulin Analogue At Ph 8.0" 100.00 21 100.00 100.00 1.44e-04 PDB 2M2O "Structure Of [d-hisb24] Insulin Analogue At Ph 1.9" 100.00 21 100.00 100.00 1.44e-04 PDB 2M2P "Structure Of [d-hisb24] Insulin Analogue At Ph 8.0" 100.00 21 100.00 100.00 1.44e-04 PDB 2MLI "Nmr Structure Of B25-(alpha, Beta)-dehydro-phenylalanine Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 2MPG "Solution Structure Of The [aibb8,lysb28,prob29]-insulin Analogue" 100.00 21 100.00 100.00 1.44e-04 PDB 2MVC "Solution Structure Of Human Insulin At Ph 1.9" 100.00 21 100.00 100.00 1.44e-04 PDB 2MVD "Solution Structure Of [glnb22]-insulin Mutant At Ph 1.9" 100.00 21 100.00 100.00 1.44e-04 PDB 2OLY "Structure Of Human Insulin In Presence Of Urea At Ph 7.0" 100.00 21 100.00 100.00 1.44e-04 PDB 2OLZ "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0" 100.00 21 100.00 100.00 1.44e-04 PDB 2OM0 "Structure Of Human Insulin In Presence Of Urea At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 2OM1 "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 2OMG "Structure Of Human Insulin Cocrystallized With Protamine And Urea" 100.00 21 100.00 100.00 1.44e-04 PDB 2OMH "Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea" 100.00 21 100.00 100.00 1.44e-04 PDB 2OMI "Structure Of Human Insulin Cocrystallized With Protamine" 100.00 21 100.00 100.00 1.44e-04 PDB 2QIU "Structure Of Human Arg-Insulin" 100.00 22 100.00 100.00 1.27e-04 PDB 2R34 "Crystal Structure Of Mn Human Arg-Insulin" 100.00 22 100.00 100.00 1.27e-04 PDB 2R35 "Crystal Structure Of Rb Human Arg-Insulin" 100.00 22 100.00 100.00 1.27e-04 PDB 2R36 "Crystal Structure Of Ni Human Arg-Insulin" 100.00 22 100.00 100.00 1.27e-04 PDB 2RN5 "Humal Insulin Mutant B31lys-B32arg" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 PDB 2VJZ "Crystal Structure Form Ultalente Insulin Microcrystals" 100.00 21 100.00 100.00 1.44e-04 PDB 2VK0 "Crystal Structure Form Ultalente Insulin Microcrystals" 100.00 21 100.00 100.00 1.44e-04 PDB 2W44 "Structure Deltaa1-a4 Insulin" 80.95 17 100.00 100.00 1.18e-01 PDB 2WBY "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Insulin" 95.24 20 100.00 100.00 8.96e-04 PDB 2WC0 "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Iodinated Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 2WRU "Semi-synthetic Highly Active Analogue Of Human Insulin Nmealab26-dti-nh2" 100.00 21 100.00 100.00 1.44e-04 PDB 2WRV "Semi-Synthetic Highly Active Analogue Of Human Insulin Nmehisb26-Dti-Nh2" 100.00 21 100.00 100.00 1.44e-04 PDB 2WRW "Semi-Synthetic Highly Active Analogue Of Human Insulin D- Prob26-Dti-Nh2" 100.00 21 100.00 100.00 1.44e-04 PDB 2WRX "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 3.0" 100.00 21 100.00 100.00 1.44e-04 PDB 2WS0 "Semi-Synthetic Analogue Of Human Insulin Nmealab26-Insulin At Ph 7.5" 100.00 21 100.00 100.00 1.44e-04 PDB 2WS1 "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Monomer Form" 100.00 21 100.00 100.00 1.44e-04 PDB 2WS4 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti In Monomer Form" 100.00 21 100.00 100.00 1.44e-04 PDB 2WS6 "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Hexamer Form" 100.00 21 100.00 100.00 1.44e-04 PDB 2WS7 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti" 100.00 21 100.00 100.00 1.44e-04 PDB 2ZPP "Neutron Crystal Structure Of Cubic Insulin At Pd9" 100.00 21 100.00 100.00 1.44e-04 PDB 3AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 PDB 3E7Y "Structure Of Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 3E7Z "Structure Of Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 3EXX "Structure Of The T6 Human Insulin Derivative With Nickel At 1.35 A Resolution" 100.00 21 100.00 100.00 1.44e-04 PDB 3FHP "A Neutron Crystallographic Analysis Of A Porcine 2zn Insulin At 2.0 A Resolution" 100.00 21 100.00 100.00 1.44e-04 PDB 3I3Z "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 3I40 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 3ILG "Crystal Structure Of Humnan Insulin Sr+2 Complex" 100.00 21 100.00 100.00 1.44e-04 PDB 3INC "Crystal Structure Of Human Insulin With Ni+2 Complex" 100.00 21 100.00 100.00 1.44e-04 PDB 3INS "Structure Of Insulin. Results Of Joint Neutron And X-ray Refinement" 100.00 21 100.00 100.00 1.44e-04 PDB 3IR0 "Crystal Structure Of Human Insulin Complexed With Cu+2 Metal Ion" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 3Q6E "Human Insulin In Complex With Cucurbit[7]uril" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 PDB 3RTO "Acoustically Mounted Porcine Insulin Microcrystals Yield An X-Ray Sad Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 3T2A "Tmao-Grown Cubic Insulin (Porcine)" 100.00 21 100.00 100.00 1.44e-04 PDB 3TT8 "Crystal Structure Analysis Of Cu Human Insulin Derivative" 100.00 21 100.00 100.00 1.44e-04 PDB 3U4N "A Novel Covalently Linked Insulin Dimer" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 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 1.44e-04 PDB 3W7Y "0.92a Structure Of 2zn Human Insulin At 100k" 100.00 21 100.00 100.00 1.44e-04 PDB 3W7Z "1.15a Structure Of Human 2zn Insulin At 293k" 100.00 21 100.00 100.00 1.44e-04 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 1.44e-04 PDB 3ZI3 "Crystal Structure Of The B24his-insulin - Human Analogue" 100.00 21 100.00 100.00 1.44e-04 PDB 3ZQR "Nmepheb25 Insulin Analogue Crystal Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 3ZS2 "Tyrb25,Nmepheb26,Lysb28,Prob29-Insulin Analogue Crystal Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 3ZU1 "Structure Of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4A7E "X-Ray Crystal Structure Of Porcine Insulin Flash-Cooled At High Pressure" 100.00 21 100.00 100.00 1.44e-04 PDB 4AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 4AJX "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4AJZ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4AK0 "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4AKJ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4CXL "Human Insulin Analogue (d-prob8)-insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4CXN "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form I" 100.00 21 100.00 100.00 1.44e-04 PDB 4CY7 "Crystal Structure Of Human Insulin Analogue (nme-alab8)- Insulin Crystal Form Ii" 100.00 21 100.00 100.00 1.44e-04 PDB 4EWW "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EWX "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EWZ "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EX0 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EX1 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EXX "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EY1 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EY9 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EYD "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EYN "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4EYP "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F0N "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F0O "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1A "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1B "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1C "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1D "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1F "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F1G "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F4T "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F4V "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F51 "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4F8F "Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4FG3 "Crystal Structure Analysis Of The Human Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4FKA "High Resolution Structure Of The Manganese Derivative Of Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4GBC "Crystal Structure Of Aspart Insulin At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 4GBI "Crystal Structure Of Aspart Insulin At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 4GBK "Crystal Structure Of Aspart Insulin At Ph 8.5" 100.00 21 100.00 100.00 1.44e-04 PDB 4GBL "Crystal Structure Of Aspart Insulin At Ph 8.5" 100.00 21 100.00 100.00 1.44e-04 PDB 4GBN "Crystal Structure Of Aspart Insulin At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 4INS "The Structure Of 2zn Pig Insulin Crystals At 1.5 Angstroms Resolution" 100.00 21 100.00 100.00 1.44e-04 PDB 4IUZ "High Resolution Crystal Structure Of Racemic Ester Insulin" 100.00 21 100.00 100.00 1.44e-04 PDB 4NIB "Crystal Structure Of Human Insulin Mutant B20 D-ala, B23 D-ala" 100.00 21 100.00 100.00 1.44e-04 PDB 4OGA "Insulin In Complex With Site 1 Of The Human Insulin Receptor" 100.00 21 100.00 100.00 1.44e-04 PDB 4P65 "Crystal Structure Of An Cyclohexylalanine Substituted Insulin Analog." 100.00 21 100.00 100.00 1.44e-04 PDB 4Q5Z "Crystal Structure Analysis Of Fab-bound Human Insulin Degrading Enzyme (ide) In Complex With Insulin" 95.24 20 100.00 100.00 8.96e-04 PDB 4RXW "Crystal Structure Of The Cobalt Human Insulin Derivative" 100.00 21 100.00 100.00 1.44e-04 PDB 4UNE "Human Insulin B26phe Mutant Crystal Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 4UNG "Human Insulin B26asn Mutant Crystal Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 4UNH "Human Insulin B26gly Mutant Crystal Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 4XC4 "Insulin Co-crystallizes In The Presence Of It Beta-cell Chaperone Sulfatide" 100.00 21 100.00 100.00 1.44e-04 PDB 5AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" 100.00 21 100.00 100.00 1.44e-04 PDB 5CNY "Crystal Structure Of Human Zinc Insulin At Ph 5.5" 100.00 21 100.00 100.00 1.44e-04 PDB 5CO2 "Crystalization Of Human Zinc Insulin At Ph 5.5" 100.00 21 100.00 100.00 1.44e-04 PDB 5CO6 "Crystal Structure Of Human Zinc Insulin At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 PDB 5CO9 "Crystal Structure Of Human Zinc Insulin At Ph 6.5" 100.00 21 100.00 100.00 1.44e-04 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 1.09e-04 PDB 7INS "Structure Of Porcine Insulin Cocrystallized With Clupeine Z" 100.00 21 100.00 100.00 1.44e-04 PDB 9INS "Monovalent Cation Binding In Cubic Insulin Crystals" 100.00 21 100.00 100.00 1.44e-04 DBJ BAH59081 "human M-proinsulin [synthetic construct]" 100.00 87 100.00 100.00 5.40e-05 DBJ BAJ17943 "insulin [synthetic construct]" 100.00 110 100.00 100.00 5.47e-05 DBJ BAM29044 "insulin, partial [Suncus murinus]" 100.00 77 100.00 100.00 4.19e-05 EMBL CAA23424 "unnamed protein product [synthetic construct]" 100.00 87 100.00 100.00 5.40e-05 EMBL CAA23475 "preproinsulin [Canis sp.]" 100.00 110 100.00 100.00 3.72e-05 EMBL CAA23828 "preproinsulin [Homo sapiens]" 100.00 110 100.00 100.00 5.47e-05 EMBL CAA43403 "Preproinsulin [Pan troglodytes]" 100.00 110 100.00 100.00 3.40e-05 EMBL CAA43405 "Preproinsulin [Chlorocebus aethiops]" 100.00 110 100.00 100.00 3.72e-05 GB AAA17540 "insulin, partial [Oryctolagus cuniculus]" 100.00 55 100.00 100.00 4.09e-05 GB AAA19033 "insulin [Oryctolagus cuniculus]" 100.00 110 100.00 100.00 3.68e-05 GB AAA36849 "preproinsulin [Macaca fascicularis]" 100.00 110 100.00 100.00 3.50e-05 GB AAA59172 "insulin [Homo sapiens]" 100.00 110 100.00 100.00 5.47e-05 GB AAA59173 "insulin [Homo sapiens]" 100.00 110 100.00 100.00 5.47e-05 PRF 0601246A insulin,prepro 100.00 110 100.00 100.00 5.47e-05 PRF 1006230A insulin,pro- 100.00 86 100.00 100.00 5.36e-05 PRF 550086A insulin 100.00 51 100.00 100.00 9.94e-05 PRF 560164B insulin 100.00 21 100.00 100.00 1.44e-04 PRF 580107B insulin 100.00 50 100.00 100.00 9.42e-05 REF NP_000198 "insulin preproprotein [Homo sapiens]" 100.00 110 100.00 100.00 5.47e-05 REF NP_001008996 "insulin preproprotein [Pan troglodytes]" 100.00 110 100.00 100.00 3.40e-05 REF NP_001075804 "insulin precursor [Oryctolagus cuniculus]" 100.00 110 100.00 100.00 3.68e-05 REF NP_001103242 "insulin precursor [Sus scrofa]" 100.00 108 100.00 100.00 5.26e-05 REF NP_001123565 "insulin precursor [Canis lupus familiaris]" 100.00 110 100.00 100.00 3.72e-05 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 5.47e-05 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 3.68e-05 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 5.26e-05 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 3.72e-05 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 3.50e-05 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chain B' _Molecular_mass 3721.365 _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 32 _Mol_residue_sequence ; FVNQHLCGSHLVEALYLVCG ERGFFYTPKTKR ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 VAL 3 ASN 4 GLN 5 HIS 6 LEU 7 CYS 8 GLY 9 SER 10 HIS 11 LEU 12 VAL 13 GLU 14 ALA 15 LEU 16 TYR 17 LEU 18 VAL 19 CYS 20 GLY 21 GLU 22 ARG 23 GLY 24 PHE 25 PHE 26 TYR 27 THR 28 PRO 29 LYS 30 THR 31 LYS 32 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1015 "insulin B chain" 93.75 30 100.00 100.00 9.66e-13 BMRB 1023 "insulin B chain" 68.75 42 100.00 100.00 4.11e-06 BMRB 1025 "insulin B chain" 93.75 30 100.00 100.00 9.66e-13 BMRB 15464 "chain B" 93.75 30 100.00 100.00 9.66e-13 BMRB 1633 "insulin B chain" 93.75 30 100.00 100.00 9.66e-13 BMRB 16915 "entity, chain 2" 100.00 32 100.00 100.00 2.63e-14 BMRB 25260 entity_2 93.75 30 100.00 100.00 9.66e-13 BMRB 4266 D-AlaB26_DTI-amide 78.13 47 100.00 100.00 1.63e-08 BMRB 555 "insulin B chain" 93.75 30 100.00 100.00 9.66e-13 BMRB 557 "insulin B chain" 93.75 30 100.00 100.00 9.66e-13 BMRB 937 "insulin B chain" 78.13 25 100.00 100.00 1.98e-08 PDB 1AI0 "R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 1AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 1BEN "Insulin Complexed With 4-Hydroxybenzamide" 90.63 30 100.00 100.00 5.44e-12 PDB 1BZV "[d-Alab26]-Des(B27-B30)-Insulin-B26-Amide A Superpotent Single-Replacement Insulin Analogue, Nmr, Minimized Average Structure" 78.13 26 100.00 100.00 1.98e-08 PDB 1DEI "Desheptapeptide (B24-B30) Insulin" 71.88 23 100.00 100.00 6.97e-07 PDB 1EV3 "Structure Of The Rhombohedral Form Of The M-cresol/insulin R6 Hexamer" 93.75 30 100.00 100.00 9.66e-13 PDB 1EV6 "Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer" 93.75 30 100.00 100.00 9.66e-13 PDB 1EVR "The Structure Of The ResorcinolINSULIN R6 HEXAMER" 93.75 30 100.00 100.00 9.66e-13 PDB 1FU2 "First Protein Structure Determined From X-Ray Powder Diffraction Data" 93.75 30 100.00 100.00 9.66e-13 PDB 1FUB "First Protein Structure Determined From X-Ray Powder Diffraction Data" 93.75 30 100.00 100.00 9.66e-13 PDB 1G7A "1.2 A Structure Of T3r3 Human Insulin At 100 K" 93.75 30 100.00 100.00 9.66e-13 PDB 1G7B "1.3 A Structure Of T3r3 Human Insulin At 100 K" 93.75 30 100.00 100.00 9.66e-13 PDB 1GUJ "Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation." 93.75 30 100.00 100.00 9.66e-13 PDB 1HIS "Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis" 78.13 25 100.00 100.00 1.98e-08 PDB 1HTV "Crystal Structure Of Destripeptide (B28-B30) Insulin" 84.38 27 100.00 100.00 4.45e-10 PDB 1J73 "Crystal Structure Of An Unstable Insulin Analog With Native Activity." 93.75 30 100.00 100.00 9.66e-13 PDB 1JCA "Non-standard Design Of Unstable Insulin Analogues With Enhanced Activity" 93.75 30 100.00 100.00 9.66e-13 PDB 1MSO "T6 Human Insulin At 1.0 A Resolution" 93.75 30 100.00 100.00 9.66e-13 PDB 1OS3 "Dehydrated T6 Human Insulin At 100 K" 93.75 30 100.00 100.00 9.66e-13 PDB 1OS4 "Dehydrated T6 Human Insulin At 295 K" 93.75 30 100.00 100.00 9.66e-13 PDB 1PID "Bovine Despentapeptide Insulin" 78.13 25 100.00 100.00 1.98e-08 PDB 1Q4V "Crystal Structure Of Allo-Ilea2-Insulin, An Inactive Chiral Analogue: Implications For The Mechanism Of Receptor" 93.75 30 100.00 100.00 9.66e-13 PDB 1RWE "Enhancing The Activity Of Insulin At Receptor Edge: Crystal Structure And Photo-Cross-Linking Of A8 Analogues" 93.75 30 100.00 100.00 9.66e-13 PDB 1SDB "Porcine Desb1-2 Despentapeptide(B26-B30) Insulin" 71.88 23 100.00 100.00 4.71e-07 PDB 1SF1 "Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 1TRZ "Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer" 93.75 30 100.00 100.00 9.66e-13 PDB 1TYL "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 93.75 30 100.00 100.00 9.66e-13 PDB 1TYM "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 93.75 30 100.00 100.00 9.66e-13 PDB 1UZ9 "Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins." 90.63 29 100.00 100.00 5.46e-12 PDB 1XDA "Structure Of Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 1XGL "Human Insulin Disulfide Isomer, Nmr, 10 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 1XW7 "Diabetes-Associated Mutations In Human Insulin: Crystal Structure And Photo-Cross-Linking Studies Of A-Chain Variant Insulin Wa" 93.75 30 100.00 100.00 9.66e-13 PDB 1ZNJ "Insulin, Monoclinic Crystal Form" 93.75 30 100.00 100.00 9.66e-13 PDB 2AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 2C8Q "Insuline(1sec) And Uv Laser Excited Fluorescence" 90.63 29 100.00 100.00 5.46e-12 PDB 2C8R "Insuline(60sec) And Uv Laser Excited Fluorescence" 90.63 29 100.00 100.00 5.46e-12 PDB 2CEU "Despentapeptide Insulin In Acetic Acid (Ph 2)" 78.13 25 100.00 100.00 1.98e-08 PDB 2G54 "Crystal Structure Of Zn-Bound Human Insulin-Degrading Enzyme In Complex With Insulin B Chain" 93.75 30 100.00 100.00 9.66e-13 PDB 2G56 "Crystal Structure Of Human Insulin-degrading Enzyme In Complex With Insulin B Chain" 93.75 30 100.00 100.00 9.66e-13 PDB 2HIU "Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 2JV1 "Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures" 93.75 30 100.00 100.00 9.66e-13 PDB 2KXK "Human Insulin Mutant A22gly-B31lys-B32arg" 100.00 32 100.00 100.00 2.63e-14 PDB 2MVC "Solution Structure Of Human Insulin At Ph 1.9" 93.75 30 100.00 100.00 9.66e-13 PDB 2OLY "Structure Of Human Insulin In Presence Of Urea At Ph 7.0" 93.75 30 100.00 100.00 9.66e-13 PDB 2OLZ "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0" 93.75 30 100.00 100.00 9.66e-13 PDB 2OM0 "Structure Of Human Insulin In Presence Of Urea At Ph 6.5" 93.75 30 100.00 100.00 9.66e-13 PDB 2OM1 "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5" 93.75 30 100.00 100.00 9.66e-13 PDB 2OMG "Structure Of Human Insulin Cocrystallized With Protamine And Urea" 93.75 30 100.00 100.00 9.66e-13 PDB 2OMH "Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea" 93.75 30 100.00 100.00 9.66e-13 PDB 2OMI "Structure Of Human Insulin Cocrystallized With Protamine" 93.75 30 100.00 100.00 9.66e-13 PDB 2QIU "Structure Of Human Arg-Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 2R34 "Crystal Structure Of Mn Human Arg-Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 2R35 "Crystal Structure Of Rb Human Arg-Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 2R36 "Crystal Structure Of Ni Human Arg-Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 2RN5 "Humal Insulin Mutant B31lys-B32arg" 100.00 32 100.00 100.00 2.63e-14 PDB 2VJZ "Crystal Structure Form Ultalente Insulin Microcrystals" 93.75 30 100.00 100.00 9.66e-13 PDB 2VK0 "Crystal Structure Form Ultalente Insulin Microcrystals" 93.75 30 100.00 100.00 9.66e-13 PDB 2W44 "Structure Deltaa1-a4 Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 2WBY "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Insulin" 59.38 19 100.00 100.00 1.22e-03 PDB 2WC0 "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Iodinated Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 2WRU "Semi-synthetic Highly Active Analogue Of Human Insulin Nmealab26-dti-nh2" 78.13 26 100.00 100.00 1.98e-08 PDB 2WRV "Semi-Synthetic Highly Active Analogue Of Human Insulin Nmehisb26-Dti-Nh2" 78.13 26 100.00 100.00 1.98e-08 PDB 2WRW "Semi-Synthetic Highly Active Analogue Of Human Insulin D- Prob26-Dti-Nh2" 78.13 26 100.00 100.00 1.98e-08 PDB 2WS4 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti In Monomer Form" 78.13 26 100.00 100.00 2.09e-08 PDB 2WS6 "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Hexamer Form" 93.75 30 100.00 100.00 9.66e-13 PDB 2WS7 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti" 78.13 26 100.00 100.00 2.09e-08 PDB 3AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure" 93.75 30 100.00 100.00 9.66e-13 PDB 3E7Y "Structure Of Human Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 3E7Z "Structure Of Human Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 3EXX "Structure Of The T6 Human Insulin Derivative With Nickel At 1.35 A Resolution" 93.75 30 100.00 100.00 9.66e-13 PDB 3FQ9 "Design Of An Insulin Analog With Enhanced Receptor-Binding Selectivity. Rationale, Structure, And Therapeutic Implications" 93.75 30 100.00 100.00 9.66e-13 PDB 3ILG "Crystal Structure Of Humnan Insulin Sr+2 Complex" 93.75 30 100.00 100.00 9.66e-13 PDB 3INC "Crystal Structure Of Human Insulin With Ni+2 Complex" 93.75 30 100.00 100.00 9.66e-13 PDB 3IR0 "Crystal Structure Of Human Insulin Complexed With Cu+2 Metal Ion" 93.75 30 100.00 100.00 9.66e-13 PDB 3KQ6 "Enhancing The Therapeutic Properties Of A Protein By A Desig Binding Site, Structural Principles Of A Novel Long-Acting Analog" 93.75 30 100.00 100.00 9.66e-13 PDB 3P33 "Insulin Fibrillation Is The Janus Face Of Induced Fit. A Chiral Clamp Stabilizes The Native State At The Expense Of Activity" 93.75 30 100.00 100.00 9.66e-13 PDB 3Q6E "Human Insulin In Complex With Cucurbit[7]uril" 93.75 30 100.00 100.00 9.66e-13 PDB 3TT8 "Crystal Structure Analysis Of Cu Human Insulin Derivative" 93.75 30 100.00 100.00 9.66e-13 PDB 3V19 "Forestalling Insulin Fibrillation By Insertion Of A Chiral Clamp Mechanism-Based Application Of Protein Engineering To Global H" 93.75 30 100.00 100.00 9.66e-13 PDB 3W11 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With Human Insulin, Alpha-ct Peptide(704-719) And Fab" 93.75 30 100.00 100.00 9.66e-13 PDB 3W12 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" 78.13 26 100.00 100.00 1.98e-08 PDB 3W13 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" 78.13 26 100.00 100.00 1.98e-08 PDB 3W7Y "0.92a Structure Of 2zn Human Insulin At 100k" 93.75 30 100.00 100.00 9.66e-13 PDB 3W7Z "1.15a Structure Of Human 2zn Insulin At 293k" 93.75 30 100.00 100.00 9.66e-13 PDB 3W80 "Crystal Structure Of Dodecamer Human Insulin With Double C-axis Length Of The Hexamer 2 Zn Insulin Cell" 93.75 30 100.00 100.00 9.66e-13 PDB 3ZU1 "Structure Of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" 93.75 30 100.00 100.00 9.66e-13 PDB 4AJX "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 4AJZ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 4AK0 "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 4AKJ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 90.63 29 100.00 100.00 5.46e-12 PDB 4EWW "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EWX "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EWZ "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EX0 "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EX1 "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EXX "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EY1 "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EY9 "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EYD "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EYN "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4EYP "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F0N "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F0O "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1A "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1B "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1C "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1D "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1F "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F1G "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F4T "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F4V "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F51 "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4F8F "Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4FG3 "Crystal Structure Analysis Of The Human Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4FKA "High Resolution Structure Of The Manganese Derivative Of Insulin" 93.75 30 100.00 100.00 9.66e-13 PDB 4IYD "Insulin Glargine Crystal Structure 1" 90.63 29 100.00 100.00 5.46e-12 PDB 4IYF "Insulin Glargine Crystal Structure 2" 90.63 29 100.00 100.00 5.46e-12 PDB 4OGA "Insulin In Complex With Site 1 Of The Human Insulin Receptor" 93.75 30 100.00 100.00 9.66e-13 PDB 5AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" 93.75 30 100.00 100.00 9.66e-13 PDB 6INS "X-Ray Analysis Of The Single Chain B29-A1 Peptide-Linked Insulin Molecule. A Completely Inactive Analogue" 90.63 50 100.00 100.00 5.34e-12 GB AAA72171 "insulin B chain [synthetic construct]" 93.75 31 100.00 100.00 7.77e-13 GB AAA72917 "insulin beta chain, partial [synthetic construct]" 93.75 30 100.00 100.00 9.66e-13 GB AAC78289 "proinsulin-like protein BKRA [synthetic construct]" 100.00 54 100.00 100.00 2.40e-14 PIR INEL "insulin - elephant" 93.75 51 100.00 100.00 1.35e-12 PRF 0510475A "insulin B,24/25-Leu" 93.75 30 100.00 100.00 9.66e-13 PRF 600165A insulin 93.75 51 100.00 100.00 1.00e-12 PRF 640291A insulin 87.50 51 100.00 100.00 2.73e-11 SP P01316 "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain, partial [Elephas maxim" 93.75 51 100.00 100.00 1.35e-12 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide 'Chain A' 6 CYS SG 'Chain A' 11 CYS SG single disulfide 'Chain A' 7 CYS SG 'Chain B' 7 CYS SG single disulfide 'Chain A' 20 CYS SG 'Chain B' 19 CYS SG stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'Chain A' 6 CYS HG 'Chain A' 7 CYS HG 'Chain A' 11 CYS HG 'Chain A' 20 CYS HG 'Chain B' 7 CYS HG 'Chain B' 19 CYS HG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 . . . . . . $entity_2 . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pDBAST-RAT-N-7-1 $entity_2 'recombinant technology' . Escherichia coli . pDBAST-RAT-N-7-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.0 mM 'natural abundance' $entity_2 2.0 mM 'natural abundance' CD3CN 35 % . D2O 65 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.0 mM 'natural abundance' $entity_2 2.0 mM 'natural abundance' CD3CN 35 % . H2O 65 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 . K pH 3.6 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Chain A' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA3 H 3.942 0.02 1 2 1 1 GLY HA2 H 3.983 0.02 1 3 2 2 ILE H H 8.387 0.02 1 4 2 2 ILE HA H 3.912 0.02 1 5 2 2 ILE HB H 1.300 0.02 1 6 2 2 ILE HG13 H 0.935 0.02 2 7 2 2 ILE HG2 H 0.766 0.02 1 8 2 2 ILE HD1 H 0.663 0.02 1 9 2 2 ILE HG12 H 1.186 0.02 2 10 3 3 VAL H H 7.973 0.02 1 11 3 3 VAL HA H 3.658 0.02 1 12 3 3 VAL HB H 1.988 0.02 1 13 3 3 VAL HG1 H 0.932 0.02 2 14 3 3 VAL HG2 H 0.883 0.02 2 15 4 4 GLU H H 8.036 0.02 1 16 4 4 GLU HA H 4.193 0.02 1 17 4 4 GLU HB3 H 2.056 0.02 2 18 4 4 GLU HG3 H 2.433 0.02 2 19 4 4 GLU HB2 H 2.093 0.02 2 20 4 4 GLU HG2 H 2.484 0.02 2 21 5 5 GLN H H 8.203 0.02 1 22 5 5 GLN HA H 4.033 0.02 1 23 5 5 GLN HB3 H 2.020 0.02 2 24 5 5 GLN HG3 H 2.360 0.02 2 25 5 5 GLN HE21 H 7.445 0.02 2 26 5 5 GLN HE22 H 6.745 0.02 2 27 5 5 GLN HB2 H 2.071 0.02 2 28 5 5 GLN HG2 H 2.429 0.02 2 29 6 6 CYS H H 8.160 0.02 1 30 6 6 CYS HA H 4.840 0.02 1 31 6 6 CYS HB3 H 2.870 0.02 2 32 6 6 CYS HB2 H 3.272 0.02 2 33 7 7 CYS H H 8.251 0.02 1 34 7 7 CYS HA H 4.789 0.02 1 35 7 7 CYS HB3 H 3.295 0.02 2 36 7 7 CYS HB2 H 3.669 0.02 2 37 8 8 THR H H 8.040 0.02 1 38 8 8 THR HA H 4.072 0.02 1 39 8 8 THR HB H 4.371 0.02 1 40 8 8 THR HG2 H 1.212 0.02 1 41 9 9 SER H H 7.404 0.02 1 42 9 9 SER HA H 4.678 0.02 1 43 9 9 SER HB3 H 3.839 0.02 2 44 9 9 SER HB2 H 3.983 0.02 2 45 10 10 ILE H H 7.755 0.02 1 46 10 10 ILE HA H 4.405 0.02 1 47 10 10 ILE HB H 1.581 0.02 1 48 10 10 ILE HG13 H 0.601 0.02 2 49 10 10 ILE HG2 H 0.675 0.02 1 50 10 10 ILE HD1 H 0.600 0.02 1 51 10 10 ILE HG12 H 1.180 0.02 2 52 11 11 CYS H H 9.320 0.02 1 53 11 11 CYS HA H 5.007 0.02 1 54 11 11 CYS HB3 H 3.079 0.02 2 55 11 11 CYS HB2 H 3.270 0.02 2 56 12 12 SER H H 8.533 0.02 1 57 12 12 SER HA H 4.578 0.02 1 58 12 12 SER HB3 H 3.940 0.02 2 59 12 12 SER HB2 H 4.268 0.02 2 60 13 13 LEU H H 8.578 0.02 1 61 13 13 LEU HA H 3.960 0.02 1 62 13 13 LEU HB3 H 1.441 0.02 2 63 13 13 LEU HG H 1.530 0.02 1 64 13 13 LEU HD1 H 0.882 0.02 1 65 13 13 LEU HD2 H 0.809 0.02 1 66 13 13 LEU HB2 H 1.542 0.02 2 67 14 14 TYR H H 7.454 0.02 1 68 14 14 TYR HA H 4.141 0.02 1 69 14 14 TYR HB3 H 2.911 0.02 2 70 14 14 TYR HD1 H 7.070 0.02 3 71 14 14 TYR HE1 H 6.825 0.02 3 72 14 14 TYR HB2 H 2.978 0.02 2 73 15 15 GLN H H 7.518 0.02 1 74 15 15 GLN HA H 3.977 0.02 1 75 15 15 GLN HB3 H 2.011 0.02 2 76 15 15 GLN HG3 H 2.359 0.02 2 77 15 15 GLN HE21 H 7.377 0.02 2 78 15 15 GLN HE22 H 6.851 0.02 2 79 15 15 GLN HB2 H 2.332 0.02 2 80 15 15 GLN HG2 H 2.426 0.02 2 81 16 16 LEU H H 7.974 0.02 1 82 16 16 LEU HA H 4.128 0.02 1 83 16 16 LEU HB3 H 1.600 0.02 2 84 16 16 LEU HG H 1.720 0.02 1 85 16 16 LEU HD1 H 0.817 0.02 1 86 16 16 LEU HD2 H 0.767 0.02 1 87 16 16 LEU HB2 H 1.877 0.02 2 88 17 17 GLU H H 7.995 0.02 1 89 17 17 GLU HA H 4.132 0.02 1 90 17 17 GLU HB3 H 2.006 0.02 2 91 17 17 GLU HG3 H 2.337 0.02 2 92 17 17 GLU HB2 H 2.077 0.02 2 93 17 17 GLU HG2 H 2.537 0.02 2 94 18 18 ASN H H 7.428 0.02 1 95 18 18 ASN HA H 4.425 0.02 1 96 18 18 ASN HB3 H 2.488 0.02 2 97 18 18 ASN HD21 H 7.119 0.02 2 98 18 18 ASN HD22 H 6.377 0.02 2 99 18 18 ASN HB2 H 2.577 0.02 2 100 19 19 TYR H H 7.858 0.02 1 101 19 19 TYR HA H 4.408 0.02 1 102 19 19 TYR HB3 H 2.954 0.02 2 103 19 19 TYR HD1 H 7.278 0.02 3 104 19 19 TYR HE1 H 6.739 0.02 3 105 19 19 TYR HB2 H 3.292 0.02 2 106 20 20 CYS H H 7.407 0.02 1 107 20 20 CYS HA H 4.707 0.02 1 108 20 20 CYS HB3 H 2.808 0.02 2 109 20 20 CYS HB2 H 3.187 0.02 2 110 21 21 ASN H H 7.929 0.02 1 111 21 21 ASN HA H 4.652 0.02 1 112 21 21 ASN HB3 H 2.697 0.02 2 113 21 21 ASN HD21 H 7.392 0.02 2 114 21 21 ASN HD22 H 6.617 0.02 2 115 21 21 ASN HB2 H 2.791 0.02 2 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Chain B' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 PHE HA H 4.277 0.02 1 2 1 1 PHE HB3 H 3.140 0.02 2 3 1 1 PHE HD1 H 7.273 0.02 3 4 1 1 PHE HE1 H 7.385 0.02 3 5 1 1 PHE HZ H 7.349 0.02 1 6 1 1 PHE HB2 H 3.198 0.02 2 7 2 2 VAL H H 8.098 0.02 1 8 2 2 VAL HA H 4.102 0.02 1 9 2 2 VAL HB H 1.965 0.02 1 10 2 2 VAL HG1 H 0.880 0.02 1 11 2 2 VAL HG2 H 0.880 0.02 1 12 3 3 ASN H H 8.244 0.02 1 13 3 3 ASN HA H 4.638 0.02 1 14 3 3 ASN HB3 H 2.702 0.02 2 15 3 3 ASN HD21 H 7.460 0.02 2 16 3 3 ASN HD22 H 6.776 0.02 2 17 3 3 ASN HB2 H 2.781 0.02 2 18 4 4 GLN H H 8.184 0.02 1 19 4 4 GLN HA H 4.371 0.02 1 20 4 4 GLN HB3 H 1.806 0.02 2 21 4 4 GLN HG3 H 2.217 0.02 1 22 4 4 GLN HE21 H 7.318 0.02 2 23 4 4 GLN HE22 H 6.619 0.02 2 24 4 4 GLN HB2 H 2.097 0.02 2 25 4 4 GLN HG2 H 2.217 0.02 1 26 5 5 HIS H H 8.376 0.02 1 27 5 5 HIS HA H 4.464 0.02 1 28 5 5 HIS HB3 H 3.237 0.02 2 29 5 5 HIS HD2 H 7.359 0.02 1 30 5 5 HIS HE1 H 8.503 0.02 1 31 5 5 HIS HB2 H 3.531 0.02 2 32 6 6 LEU H H 8.733 0.02 1 33 6 6 LEU HA H 4.438 0.02 1 34 6 6 LEU HB3 H 1.020 0.02 2 35 6 6 LEU HG H 1.550 0.02 1 36 6 6 LEU HD1 H 0.851 0.02 2 37 6 6 LEU HD2 H 0.748 0.02 2 38 6 6 LEU HB2 H 1.686 0.02 2 39 7 7 CYS H H 8.165 0.02 1 40 7 7 CYS HA H 4.867 0.02 1 41 7 7 CYS HB3 H 2.976 0.02 2 42 7 7 CYS HB2 H 3.190 0.02 2 43 8 8 GLY H H 8.815 0.02 1 44 8 8 GLY HA3 H 3.780 0.02 2 45 8 8 GLY HA2 H 3.982 0.02 2 46 9 9 SER H H 8.843 0.02 1 47 9 9 SER HA H 4.087 0.02 1 48 9 9 SER HB3 H 3.856 0.02 1 49 9 9 SER HB2 H 3.856 0.02 1 50 10 10 HIS H H 7.964 0.02 1 51 10 10 HIS HA H 4.495 0.02 1 52 10 10 HIS HB3 H 3.256 0.02 2 53 10 10 HIS HD2 H 7.424 0.02 1 54 10 10 HIS HE1 H 8.641 0.02 1 55 10 10 HIS HB2 H 3.503 0.02 2 56 11 11 LEU H H 7.138 0.02 1 57 11 11 LEU HA H 4.007 0.02 1 58 11 11 LEU HB3 H 1.251 0.02 2 59 11 11 LEU HG H 1.387 0.02 1 60 11 11 LEU HD1 H 0.810 0.02 2 61 11 11 LEU HD2 H 0.761 0.02 2 62 11 11 LEU HB2 H 1.851 0.02 2 63 12 12 VAL H H 7.310 0.02 1 64 12 12 VAL HA H 3.409 0.02 1 65 12 12 VAL HB H 2.062 0.02 1 66 12 12 VAL HG1 H 0.978 0.02 2 67 12 12 VAL HG2 H 0.922 0.02 2 68 13 13 GLU H H 7.932 0.02 1 69 13 13 GLU HA H 4.057 0.02 1 70 13 13 GLU HB3 H 2.070 0.02 2 71 13 13 GLU HG3 H 2.482 0.02 2 72 13 13 GLU HB2 H 2.148 0.02 2 73 13 13 GLU HG2 H 2.529 0.02 2 74 14 14 ALA H H 7.769 0.02 1 75 14 14 ALA HA H 4.065 0.02 1 76 14 14 ALA HB H 1.453 0.02 1 77 15 15 LEU H H 8.093 0.02 1 78 15 15 LEU HA H 3.944 0.02 1 79 15 15 LEU HB3 H 1.215 0.02 2 80 15 15 LEU HG H 1.555 0.02 1 81 15 15 LEU HD1 H 0.721 0.02 2 82 15 15 LEU HD2 H 0.615 0.02 2 83 15 15 LEU HB2 H 1.571 0.02 2 84 16 16 TYR H H 8.154 0.02 1 85 16 16 TYR HA H 4.181 0.02 1 86 16 16 TYR HB3 H 3.108 0.02 1 87 16 16 TYR HD1 H 7.095 0.02 3 88 16 16 TYR HE1 H 6.741 0.02 3 89 16 16 TYR HB2 H 3.108 0.02 1 90 17 17 LEU H H 7.922 0.02 1 91 17 17 LEU HA H 4.057 0.02 1 92 17 17 LEU HB3 H 1.620 0.02 2 93 17 17 LEU HG H 1.836 0.02 1 94 17 17 LEU HD1 H 0.941 0.02 2 95 17 17 LEU HD2 H 0.916 0.02 2 96 17 17 LEU HB2 H 1.888 0.02 2 97 18 18 VAL H H 8.409 0.02 1 98 18 18 VAL HA H 3.824 0.02 1 99 18 18 VAL HB H 2.102 0.02 1 100 18 18 VAL HG1 H 1.015 0.02 2 101 18 18 VAL HG2 H 0.880 0.02 2 102 19 19 CYS H H 8.608 0.02 1 103 19 19 CYS HA H 4.701 0.02 1 104 19 19 CYS HB3 H 2.910 0.02 2 105 19 19 CYS HB2 H 3.190 0.02 2 106 20 20 GLY H H 7.826 0.02 1 107 20 20 GLY HA3 H 3.873 0.02 1 108 20 20 GLY HA2 H 3.873 0.02 1 109 21 21 GLU H H 8.086 0.02 1 110 21 21 GLU HA H 4.228 0.02 1 111 21 21 GLU HB3 H 2.064 0.02 2 112 21 21 GLU HG3 H 2.442 0.02 1 113 21 21 GLU HB2 H 2.163 0.02 2 114 21 21 GLU HG2 H 2.509 0.02 1 115 22 22 ARG H H 7.826 0.02 1 116 22 22 ARG HA H 4.195 0.02 1 117 22 22 ARG HB3 H 1.862 0.02 2 118 22 22 ARG HG3 H 1.704 0.02 1 119 22 22 ARG HD3 H 3.195 0.02 1 120 22 22 ARG HE H 7.198 0.02 1 121 22 22 ARG HB2 H 1.928 0.02 2 122 22 22 ARG HD2 H 3.195 0.02 1 123 22 22 ARG HG2 H 1.704 0.02 1 124 23 23 GLY H H 7.794 0.02 1 125 23 23 GLY HA3 H 3.809 0.02 2 126 23 23 GLY HA2 H 3.877 0.02 2 127 24 24 PHE H H 7.666 0.02 1 128 24 24 PHE HA H 4.619 0.02 1 129 24 24 PHE HB3 H 2.869 0.02 2 130 24 24 PHE HD1 H 7.006 0.02 3 131 24 24 PHE HE1 H 7.173 0.02 3 132 24 24 PHE HB2 H 3.000 0.02 2 133 25 25 PHE H H 7.946 0.02 1 134 25 25 PHE HA H 4.565 0.02 1 135 25 25 PHE HB3 H 2.949 0.02 2 136 25 25 PHE HD1 H 7.194 0.02 3 137 25 25 PHE HE1 H 7.296 0.02 3 138 25 25 PHE HZ H 7.238 0.02 1 139 25 25 PHE HB2 H 3.075 0.02 2 140 26 26 TYR H H 7.749 0.02 1 141 26 26 TYR HA H 4.572 0.02 1 142 26 26 TYR HB3 H 2.910 0.02 2 143 26 26 TYR HD1 H 7.054 0.02 3 144 26 26 TYR HE1 H 6.771 0.02 3 145 26 26 TYR HB2 H 2.986 0.02 2 146 27 27 THR H H 7.666 0.02 1 147 27 27 THR HA H 4.566 0.02 1 148 27 27 THR HB H 4.093 0.02 1 149 27 27 THR HG2 H 1.178 0.02 1 150 28 28 PRO HA H 4.336 0.02 1 151 28 28 PRO HB3 H 1.913 0.02 2 152 28 28 PRO HG3 H 1.993 0.02 1 153 28 28 PRO HD3 H 3.662 0.02 1 154 28 28 PRO HB2 H 2.256 0.02 2 155 28 28 PRO HD2 H 3.662 0.02 1 156 28 28 PRO HG2 H 1.993 0.02 1 157 29 29 LYS H H 8.150 0.02 1 158 29 29 LYS HA H 4.287 0.02 1 159 29 29 LYS HB3 H 1.742 0.02 2 160 29 29 LYS HG3 H 1.437 0.02 1 161 29 29 LYS HD3 H 1.648 0.02 1 162 29 29 LYS HE3 H 2.952 0.02 1 163 29 29 LYS HZ H 7.425 0.02 1 164 29 29 LYS HB2 H 1.830 0.02 2 165 29 29 LYS HD2 H 1.648 0.02 1 166 29 29 LYS HE2 H 2.952 0.02 1 167 29 29 LYS HG2 H 1.437 0.02 1 168 30 30 THR H H 7.801 0.02 1 169 30 30 THR HA H 4.289 0.02 1 170 30 30 THR HB H 4.186 0.02 1 171 30 30 THR HG2 H 1.176 0.02 1 172 31 31 LYS H H 8.024 0.02 1 173 31 31 LYS HA H 4.337 0.02 1 174 31 31 LYS HB3 H 1.727 0.02 1 175 31 31 LYS HD3 H 1.681 0.02 1 176 31 31 LYS HE3 H 2.959 0.02 1 177 31 31 LYS HB2 H 1.727 0.02 1 178 31 31 LYS HD2 H 1.681 0.02 1 179 31 31 LYS HE2 H 2.959 0.02 1 180 32 32 ARG H H 8.032 0.02 1 181 32 32 ARG HA H 4.286 0.02 1 182 32 32 ARG HB3 H 1.875 0.02 1 183 32 32 ARG HG3 H 1.612 0.02 1 184 32 32 ARG HD3 H 3.164 0.02 1 185 32 32 ARG HB2 H 1.875 0.02 1 186 32 32 ARG HD2 H 3.164 0.02 1 187 32 32 ARG HG2 H 1.612 0.02 1 stop_ save_