data_555 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Sequence-Specific 1H NMR Assignments for Human Insulin ; _BMRB_accession_number 555 _BMRB_flat_file_name bmr555.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Kline Allen D. . 2 Justice Richard M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Kline, Allen D., Justice, Richard M., Jr., "Complete Sequence-Specific 1H NMR Assignments for Human Insulin," Biochemistry 29, 2906-2913 (1990). ; _Citation_title 'Complete Sequence-Specific 1H NMR Assignments for Human Insulin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kline Allen D. . 2 Justice Richard M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2906 _Page_last 2913 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_insulin_B_chain _Saveframe_category molecular_system _Mol_system_name 'insulin B chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'insulin B chain' $insulin_B_chain stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_insulin_B_chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'insulin B chain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; FVNQHLCGSHLVEALYLVCG ERGFFYTPKT ; 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 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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" 100.00 30 100.00 100.00 1.09e-12 BMRB 1023 "insulin B chain" 73.33 42 100.00 100.00 4.32e-06 BMRB 1025 "insulin B chain" 100.00 30 100.00 100.00 1.09e-12 BMRB 11016 "Chain B" 100.00 32 100.00 100.00 9.05e-13 BMRB 15464 "chain B" 100.00 30 100.00 100.00 1.09e-12 BMRB 1633 "insulin B chain" 100.00 30 100.00 100.00 1.09e-12 BMRB 16915 "entity, chain 2" 100.00 32 100.00 100.00 9.05e-13 BMRB 17803 "InsulinGR 2" 100.00 31 100.00 100.00 9.98e-13 BMRB 25260 entity_2 100.00 30 100.00 100.00 1.09e-12 BMRB 4266 D-AlaB26_DTI-amide 83.33 47 100.00 100.00 1.94e-08 BMRB 557 "insulin B chain" 100.00 30 100.00 100.00 1.09e-12 BMRB 937 "insulin B chain" 83.33 25 100.00 100.00 2.41e-08 PDB 1AI0 "R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 1AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 1BEN "Insulin Complexed With 4-Hydroxybenzamide" 96.67 30 100.00 100.00 6.27e-12 PDB 1BZV "[d-Alab26]-Des(B27-B30)-Insulin-B26-Amide A Superpotent Single-Replacement Insulin Analogue, Nmr, Minimized Average Structure" 83.33 26 100.00 100.00 2.41e-08 PDB 1DEI "Desheptapeptide (B24-B30) Insulin" 76.67 23 100.00 100.00 8.22e-07 PDB 1EFE "An Active Mini-Proinsulin, M2pi" 100.00 60 100.00 100.00 1.52e-12 PDB 1EV3 "Structure Of The Rhombohedral Form Of The M-cresol/insulin R6 Hexamer" 100.00 30 100.00 100.00 1.09e-12 PDB 1EV6 "Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer" 100.00 30 100.00 100.00 1.09e-12 PDB 1EVR "The Structure Of The ResorcinolINSULIN R6 HEXAMER" 100.00 30 100.00 100.00 1.09e-12 PDB 1FU2 "First Protein Structure Determined From X-Ray Powder Diffraction Data" 100.00 30 100.00 100.00 1.09e-12 PDB 1FUB "First Protein Structure Determined From X-Ray Powder Diffraction Data" 100.00 30 100.00 100.00 1.09e-12 PDB 1G7A "1.2 A Structure Of T3r3 Human Insulin At 100 K" 100.00 30 100.00 100.00 1.09e-12 PDB 1G7B "1.3 A Structure Of T3r3 Human Insulin At 100 K" 100.00 30 100.00 100.00 1.09e-12 PDB 1GUJ "Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation." 100.00 30 100.00 100.00 1.09e-12 PDB 1HIS "Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis" 83.33 25 100.00 100.00 2.41e-08 PDB 1HTV "Crystal Structure Of Destripeptide (B28-B30) Insulin" 90.00 27 100.00 100.00 5.25e-10 PDB 1J73 "Crystal Structure Of An Unstable Insulin Analog With Native Activity." 100.00 30 100.00 100.00 1.09e-12 PDB 1JCA "Non-standard Design Of Unstable Insulin Analogues With Enhanced Activity" 100.00 30 100.00 100.00 1.09e-12 PDB 1MSO "T6 Human Insulin At 1.0 A Resolution" 100.00 30 100.00 100.00 1.09e-12 PDB 1OS3 "Dehydrated T6 Human Insulin At 100 K" 100.00 30 100.00 100.00 1.09e-12 PDB 1OS4 "Dehydrated T6 Human Insulin At 295 K" 100.00 30 100.00 100.00 1.09e-12 PDB 1PID "Bovine Despentapeptide Insulin" 83.33 25 100.00 100.00 2.41e-08 PDB 1Q4V "Crystal Structure Of Allo-Ilea2-Insulin, An Inactive Chiral Analogue: Implications For The Mechanism Of Receptor" 100.00 30 100.00 100.00 1.09e-12 PDB 1RWE "Enhancing The Activity Of Insulin At Receptor Edge: Crystal Structure And Photo-Cross-Linking Of A8 Analogues" 100.00 30 100.00 100.00 1.09e-12 PDB 1SDB "Porcine Desb1-2 Despentapeptide(B26-B30) Insulin" 76.67 23 100.00 100.00 5.38e-07 PDB 1SF1 "Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 1TRZ "Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer" 100.00 30 100.00 100.00 1.09e-12 PDB 1TYL "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 100.00 30 100.00 100.00 1.09e-12 PDB 1TYM "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide" 100.00 30 100.00 100.00 1.09e-12 PDB 1UZ9 "Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins." 96.67 29 100.00 100.00 5.84e-12 PDB 1XDA "Structure Of Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 1XGL "Human Insulin Disulfide Isomer, Nmr, 10 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 1XW7 "Diabetes-Associated Mutations In Human Insulin: Crystal Structure And Photo-Cross-Linking Studies Of A-Chain Variant Insulin Wa" 100.00 30 100.00 100.00 1.09e-12 PDB 1ZNJ "Insulin, Monoclinic Crystal Form" 100.00 30 100.00 100.00 1.09e-12 PDB 2AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 2C8Q "Insuline(1sec) And Uv Laser Excited Fluorescence" 96.67 29 100.00 100.00 5.84e-12 PDB 2C8R "Insuline(60sec) And Uv Laser Excited Fluorescence" 96.67 29 100.00 100.00 5.84e-12 PDB 2CEU "Despentapeptide Insulin In Acetic Acid (Ph 2)" 83.33 25 100.00 100.00 2.41e-08 PDB 2G54 "Crystal Structure Of Zn-Bound Human Insulin-Degrading Enzyme In Complex With Insulin B Chain" 100.00 30 100.00 100.00 1.09e-12 PDB 2G56 "Crystal Structure Of Human Insulin-degrading Enzyme In Complex With Insulin B Chain" 100.00 30 100.00 100.00 1.09e-12 PDB 2HIU "Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 2JV1 "Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures" 100.00 30 100.00 100.00 1.09e-12 PDB 2KXK "Human Insulin Mutant A22gly-B31lys-B32arg" 100.00 32 100.00 100.00 9.05e-13 PDB 2LGB "Modified A22gly-B31arg Human Insulin" 100.00 31 100.00 100.00 9.98e-13 PDB 2MVC "Solution Structure Of Human Insulin At Ph 1.9" 100.00 30 100.00 100.00 1.09e-12 PDB 2OLY "Structure Of Human Insulin In Presence Of Urea At Ph 7.0" 100.00 30 100.00 100.00 1.09e-12 PDB 2OLZ "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0" 100.00 30 100.00 100.00 1.09e-12 PDB 2OM0 "Structure Of Human Insulin In Presence Of Urea At Ph 6.5" 100.00 30 100.00 100.00 1.09e-12 PDB 2OM1 "Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5" 100.00 30 100.00 100.00 1.09e-12 PDB 2OMG "Structure Of Human Insulin Cocrystallized With Protamine And Urea" 100.00 30 100.00 100.00 1.09e-12 PDB 2OMH "Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea" 100.00 30 100.00 100.00 1.09e-12 PDB 2OMI "Structure Of Human Insulin Cocrystallized With Protamine" 100.00 30 100.00 100.00 1.09e-12 PDB 2QIU "Structure Of Human Arg-Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 2R34 "Crystal Structure Of Mn Human Arg-Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 2R35 "Crystal Structure Of Rb Human Arg-Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 2R36 "Crystal Structure Of Ni Human Arg-Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 2RN5 "Humal Insulin Mutant B31lys-B32arg" 100.00 32 100.00 100.00 9.05e-13 PDB 2VJZ "Crystal Structure Form Ultalente Insulin Microcrystals" 100.00 30 100.00 100.00 1.09e-12 PDB 2VK0 "Crystal Structure Form Ultalente Insulin Microcrystals" 100.00 30 100.00 100.00 1.09e-12 PDB 2W44 "Structure Deltaa1-a4 Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 2WBY "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Insulin" 63.33 19 100.00 100.00 1.44e-03 PDB 2WC0 "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Iodinated Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 2WRU "Semi-synthetic Highly Active Analogue Of Human Insulin Nmealab26-dti-nh2" 83.33 26 100.00 100.00 2.41e-08 PDB 2WRV "Semi-Synthetic Highly Active Analogue Of Human Insulin Nmehisb26-Dti-Nh2" 83.33 26 100.00 100.00 2.41e-08 PDB 2WRW "Semi-Synthetic Highly Active Analogue Of Human Insulin D- Prob26-Dti-Nh2" 83.33 26 100.00 100.00 2.41e-08 PDB 2WS4 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti In Monomer Form" 83.33 26 100.00 100.00 2.57e-08 PDB 2WS6 "Semi-Synthetic Analogue Of Human Insulin Nmetyrb26-Insulin In Hexamer Form" 100.00 30 100.00 100.00 1.09e-12 PDB 2WS7 "Semi-Synthetic Analogue Of Human Insulin Prob26-Dti" 83.33 26 100.00 100.00 2.57e-08 PDB 3AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure" 100.00 30 100.00 100.00 1.09e-12 PDB 3E7Y "Structure Of Human Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 3E7Z "Structure Of Human Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 3EXX "Structure Of The T6 Human Insulin Derivative With Nickel At 1.35 A Resolution" 100.00 30 100.00 100.00 1.09e-12 PDB 3FQ9 "Design Of An Insulin Analog With Enhanced Receptor-Binding Selectivity. Rationale, Structure, And Therapeutic Implications" 100.00 30 100.00 100.00 1.09e-12 PDB 3ILG "Crystal Structure Of Humnan Insulin Sr+2 Complex" 100.00 30 100.00 100.00 1.09e-12 PDB 3INC "Crystal Structure Of Human Insulin With Ni+2 Complex" 100.00 30 100.00 100.00 1.09e-12 PDB 3IR0 "Crystal Structure Of Human Insulin Complexed With Cu+2 Metal Ion" 100.00 30 100.00 100.00 1.09e-12 PDB 3KQ6 "Enhancing The Therapeutic Properties Of A Protein By A Desig Binding Site, Structural Principles Of A Novel Long-Acting Analog" 100.00 30 100.00 100.00 1.09e-12 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 30 100.00 100.00 1.09e-12 PDB 3Q6E "Human Insulin In Complex With Cucurbit[7]uril" 100.00 30 100.00 100.00 1.09e-12 PDB 3TT8 "Crystal Structure Analysis Of Cu Human Insulin Derivative" 100.00 30 100.00 100.00 1.09e-12 PDB 3V19 "Forestalling Insulin Fibrillation By Insertion Of A Chiral Clamp Mechanism-Based Application Of Protein Engineering To Global H" 100.00 30 100.00 100.00 1.09e-12 PDB 3W11 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With Human Insulin, Alpha-ct Peptide(704-719) And Fab" 100.00 30 100.00 100.00 1.09e-12 PDB 3W12 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" 83.33 26 100.00 100.00 2.41e-08 PDB 3W13 "Insulin Receptor Ectodomain Construct Comprising Domains L1-cr In Complex With High-affinity Insulin Analogue [d-pro-b26]-dti-n" 83.33 26 100.00 100.00 2.41e-08 PDB 3W7Y "0.92a Structure Of 2zn Human Insulin At 100k" 100.00 30 100.00 100.00 1.09e-12 PDB 3W7Z "1.15a Structure Of Human 2zn Insulin At 293k" 100.00 30 100.00 100.00 1.09e-12 PDB 3W80 "Crystal Structure Of Dodecamer Human Insulin With Double C-axis Length Of The Hexamer 2 Zn Insulin Cell" 100.00 30 100.00 100.00 1.09e-12 PDB 3ZU1 "Structure Of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure" 100.00 30 100.00 100.00 1.09e-12 PDB 4AJX "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 4AJZ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 4AK0 "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 4AKJ "Ligand Controlled Assembly Of Hexamers, Dihexamers, And Linear Multihexamer Structures By An Engineered Acylated Insulin" 96.67 29 100.00 100.00 5.84e-12 PDB 4EWW "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EWX "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EWZ "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EX0 "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EX1 "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EXX "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EY1 "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EY9 "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EYD "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EYN "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4EYP "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F0N "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F0O "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1A "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1B "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1C "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1D "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1F "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F1G "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F4T "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F4V "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F51 "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4F8F "Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4FG3 "Crystal Structure Analysis Of The Human Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4FKA "High Resolution Structure Of The Manganese Derivative Of Insulin" 100.00 30 100.00 100.00 1.09e-12 PDB 4IYD "Insulin Glargine Crystal Structure 1" 96.67 29 100.00 100.00 5.84e-12 PDB 4IYF "Insulin Glargine Crystal Structure 2" 96.67 29 100.00 100.00 5.84e-12 PDB 4OGA "Insulin In Complex With Site 1 Of The Human Insulin Receptor" 100.00 30 100.00 100.00 1.09e-12 PDB 5AIY "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure" 100.00 30 100.00 100.00 1.09e-12 PDB 6INS "X-Ray Analysis Of The Single Chain B29-A1 Peptide-Linked Insulin Molecule. A Completely Inactive Analogue" 96.67 50 100.00 100.00 5.96e-12 DBJ BAH59081 "human M-proinsulin [synthetic construct]" 100.00 87 100.00 100.00 1.24e-12 DBJ BAJ17943 "insulin [synthetic construct]" 100.00 110 100.00 100.00 1.27e-12 EMBL CAA08766 "insulin [Homo sapiens]" 100.00 59 100.00 100.00 2.70e-13 EMBL CAA23424 "unnamed protein product [synthetic construct]" 100.00 87 100.00 100.00 1.24e-12 EMBL CAA23828 "preproinsulin [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 EMBL CAA43403 "Preproinsulin [Pan troglodytes]" 100.00 110 100.00 100.00 1.28e-12 EMBL CAA43405 "Preproinsulin [Chlorocebus aethiops]" 100.00 110 100.00 100.00 1.42e-12 GB AAA36849 "preproinsulin [Macaca fascicularis]" 100.00 110 100.00 100.00 1.32e-12 GB AAA59172 "insulin [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 GB AAA59173 "insulin [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 GB AAA59179 "insulin [Homo sapiens]" 100.00 107 100.00 100.00 1.19e-12 GB AAA72171 "insulin B chain [synthetic construct]" 100.00 31 100.00 100.00 8.78e-13 PIR INEL "insulin - elephant" 100.00 51 100.00 100.00 1.54e-12 PRF 0510475A "insulin B,24/25-Leu" 100.00 30 100.00 100.00 1.09e-12 PRF 0601246A insulin,prepro 100.00 110 100.00 100.00 1.27e-12 PRF 1006230A insulin,pro- 100.00 86 100.00 100.00 1.46e-12 PRF 600165A insulin 100.00 51 100.00 100.00 1.19e-12 PRF 640291A insulin 93.33 51 100.00 100.00 3.62e-11 REF NP_000198 "insulin preproprotein [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 REF NP_001008996 "insulin preproprotein [Pan troglodytes]" 100.00 110 100.00 100.00 1.28e-12 REF NP_001035835 "insulin, isoform 2 precursor [Homo sapiens]" 100.00 200 100.00 100.00 3.17e-14 REF NP_001172026 "insulin preproprotein [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 REF NP_001172027 "insulin preproprotein [Homo sapiens]" 100.00 110 100.00 100.00 1.27e-12 SP F8WCM5 "RecName: Full=Insulin, isoform 2; AltName: Full=INS-IGF2 readthrough transcript protein [Homo sapiens]" 100.00 200 100.00 100.00 3.17e-14 SP P01308 "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Homo" 100.00 110 100.00 100.00 1.27e-12 SP P01316 "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain, partial [Elephas maxim" 100.00 51 100.00 100.00 1.54e-12 SP P30406 "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Maca" 100.00 110 100.00 100.00 1.32e-12 SP P30407 "RecName: Full=Insulin; Contains: RecName: Full=Insulin B chain; Contains: RecName: Full=Insulin A chain; Flags: Precursor [Chlo" 100.00 110 100.00 100.00 1.42e-12 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $insulin_B_chain human 9606 Eukaryota Metazoa Homo sapiens generic 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 $insulin_B_chain 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.6 . na temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'insulin B chain' _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 PHE HA H 4.24 . 1 2 . 1 PHE HB2 H 3.19 . 2 3 . 1 PHE HB3 H 3.1 . 2 4 . 1 PHE HD1 H 7.24 . 1 5 . 1 PHE HD2 H 7.24 . 1 6 . 1 PHE HE1 H 7.37 . 1 7 . 1 PHE HE2 H 7.37 . 1 8 . 1 PHE HZ H 7.32 . 1 9 . 2 VAL H H 8.05 . 1 10 . 2 VAL HA H 4.08 . 1 11 . 2 VAL HB H 1.94 . 1 12 . 2 VAL HG1 H .86 . 1 13 . 2 VAL HG2 H .86 . 1 14 . 3 ASN H H 8.21 . 1 15 . 3 ASN HA H 4.62 . 1 16 . 3 ASN HB2 H 2.76 . 2 17 . 3 ASN HB3 H 2.66 . 2 18 . 3 ASN HD21 H 7.42 . 2 19 . 3 ASN HD22 H 6.73 . 2 20 . 4 GLN H H 8.15 . 1 21 . 4 GLN HA H 4.36 . 1 22 . 4 GLN HB2 H 2.08 . 2 23 . 4 GLN HB3 H 1.78 . 2 24 . 4 GLN HG2 H 2.21 . 1 25 . 4 GLN HG3 H 2.21 . 1 26 . 4 GLN HE21 H 7.29 . 2 27 . 4 GLN HE22 H 6.59 . 2 28 . 5 HIS H H 8.35 . 1 29 . 5 HIS HA H 4.42 . 1 30 . 5 HIS HB2 H 3.53 . 2 31 . 5 HIS HB3 H 3.22 . 2 32 . 5 HIS HD1 H 7.36 . 1 33 . 5 HIS HD2 H 7.36 . 1 34 . 5 HIS HE1 H 8.48 . 1 35 . 5 HIS HE2 H 8.48 . 1 36 . 6 LEU H H 8.77 . 1 37 . 6 LEU HA H 4.44 . 1 38 . 6 LEU HB2 H 1.67 . 2 39 . 6 LEU HB3 H .98 . 2 40 . 6 LEU HG H 1.53 . 1 41 . 6 LEU HD1 H .83 . 2 42 . 6 LEU HD2 H .72 . 2 43 . 7 CYS H H 8.14 . 1 44 . 7 CYS HA H 4.86 . 1 45 . 7 CYS HB2 H 3.16 . 2 46 . 7 CYS HB3 H 2.91 . 2 47 . 8 GLY H H 8.82 . 1 48 . 8 GLY HA2 H 3.93 . 2 49 . 8 GLY HA3 H 3.74 . 2 50 . 9 SER H H 8.8 . 1 51 . 9 SER HA H 4.04 . 1 52 . 9 SER HB2 H 3.8 . 1 53 . 9 SER HB3 H 3.8 . 1 54 . 10 HIS H H 7.86 . 1 55 . 10 HIS HA H 4.49 . 1 56 . 10 HIS HB2 H 3.49 . 2 57 . 10 HIS HB3 H 3.23 . 2 58 . 10 HIS HD1 H 7.4 . 1 59 . 10 HIS HD2 H 7.4 . 1 60 . 10 HIS HE1 H 8.59 . 1 61 . 10 HIS HE2 H 8.59 . 1 62 . 11 LEU H H 7.08 . 1 63 . 11 LEU HA H 3.97 . 1 64 . 11 LEU HB2 H 1.84 . 2 65 . 11 LEU HB3 H 1.2 . 2 66 . 11 LEU HG H 1.35 . 1 67 . 11 LEU HD1 H .78 . 2 68 . 11 LEU HD2 H .73 . 2 69 . 12 VAL H H 7.23 . 1 70 . 12 VAL HA H 3.37 . 1 71 . 12 VAL HB H 2.04 . 1 72 . 12 VAL HG1 H .95 . 2 73 . 12 VAL HG2 H .91 . 2 74 . 13 GLU H H 7.91 . 1 75 . 13 GLU HA H 4.02 . 1 76 . 13 GLU HB2 H 2.13 . 2 77 . 13 GLU HB3 H 2.04 . 2 78 . 13 GLU HG2 H 2.48 . 2 79 . 13 GLU HG3 H 2.44 . 2 80 . 14 ALA H H 7.72 . 1 81 . 14 ALA HA H 4.03 . 1 82 . 14 ALA HB H 1.43 . 1 83 . 15 LEU H H 8.04 . 1 84 . 15 LEU HA H 3.9 . 1 85 . 15 LEU HB2 H 1.14 . 2 86 . 15 LEU HB3 H 1.48 . 2 87 . 15 LEU HG H 1.51 . 1 88 . 15 LEU HD1 H .68 . 2 89 . 15 LEU HD2 H .57 . 2 90 . 16 TYR H H 8.15 . 1 91 . 16 TYR HA H 4.16 . 1 92 . 16 TYR HB2 H 3.09 . 1 93 . 16 TYR HB3 H 3.09 . 1 94 . 16 TYR HD1 H 7.08 . 1 95 . 16 TYR HD2 H 7.08 . 1 96 . 16 TYR HE1 H 6.72 . 1 97 . 16 TYR HE2 H 6.72 . 1 98 . 17 LEU H H 7.9 . 1 99 . 17 LEU HA H 4.02 . 1 100 . 17 LEU HB2 H 1.88 . 2 101 . 17 LEU HB3 H 1.6 . 2 102 . 17 LEU HG H 1.83 . 1 103 . 17 LEU HD1 H .92 . 2 104 . 17 LEU HD2 H .9 . 2 105 . 18 VAL H H 8.38 . 1 106 . 18 VAL HA H 3.8 . 1 107 . 18 VAL HB H 2.08 . 1 108 . 18 VAL HG1 H .99 . 2 109 . 18 VAL HG2 H .86 . 2 110 . 19 CYS H H 8.6 . 1 111 . 19 CYS HA H 4.7 . 1 112 . 19 CYS HB2 H 3.19 . 2 113 . 19 CYS HB3 H 2.87 . 2 114 . 20 GLY H H 7.79 . 1 115 . 20 GLY HA2 H 3.85 . 1 116 . 20 GLY HA3 H 3.85 . 1 117 . 21 GLU H H 8.13 . 1 118 . 21 GLU HA H 4.2 . 1 119 . 21 GLU HB2 H 2.14 . 2 120 . 21 GLU HB3 H 2.05 . 2 121 . 21 GLU HG2 H 2.48 . 2 122 . 21 GLU HG3 H 2.43 . 2 123 . 22 ARG H H 7.79 . 1 124 . 22 ARG HA H 4.16 . 1 125 . 22 ARG HB2 H 1.93 . 2 126 . 22 ARG HB3 H 1.85 . 2 127 . 22 ARG HG2 H 1.71 . 2 128 . 22 ARG HG3 H 1.66 . 2 129 . 22 ARG HD2 H 3.19 . 1 130 . 22 ARG HD3 H 3.19 . 1 131 . 22 ARG HE H 7.29 . 1 132 . 23 GLY H H 7.74 . 1 133 . 23 GLY HA2 H 3.87 . 2 134 . 23 GLY HA3 H 3.77 . 2 135 . 24 PHE H H 7.6 . 1 136 . 24 PHE HA H 4.64 . 1 137 . 24 PHE HB2 H 3.02 . 2 138 . 24 PHE HB3 H 2.86 . 2 139 . 24 PHE HD1 H 6.98 . 1 140 . 24 PHE HD2 H 6.98 . 1 141 . 24 PHE HE1 H 7.13 . 1 142 . 24 PHE HE2 H 7.13 . 1 143 . 24 PHE HZ H 7.13 . 1 144 . 25 PHE H H 7.99 . 1 145 . 25 PHE HA H 4.56 . 1 146 . 25 PHE HB2 H 3.07 . 2 147 . 25 PHE HB3 H 2.94 . 2 148 . 25 PHE HD1 H 7.19 . 1 149 . 25 PHE HD2 H 7.19 . 1 150 . 25 PHE HE1 H 7.28 . 1 151 . 25 PHE HE2 H 7.28 . 1 152 . 25 PHE HZ H 7.22 . 1 153 . 26 TYR H H 7.73 . 1 154 . 26 TYR HA H 4.56 . 1 155 . 26 TYR HB2 H 2.96 . 2 156 . 26 TYR HB3 H 2.87 . 2 157 . 26 TYR HD1 H 7.02 . 1 158 . 26 TYR HD2 H 7.02 . 1 159 . 26 TYR HE1 H 6.73 . 1 160 . 26 TYR HE2 H 6.73 . 1 161 . 27 THR H H 7.61 . 1 162 . 27 THR HA H 4.54 . 1 163 . 27 THR HB H 4.04 . 1 164 . 27 THR HG2 H 1.15 . 1 165 . 28 PRO HA H 4.31 . 1 166 . 28 PRO HB2 H 2.2 . 2 167 . 28 PRO HB3 H 1.89 . 2 168 . 28 PRO HG2 H 1.97 . 2 169 . 28 PRO HG3 H 1.9 . 2 170 . 28 PRO HD2 H 3.63 . 1 171 . 28 PRO HD3 H 3.63 . 1 172 . 29 LYS H H 8.07 . 1 173 . 29 LYS HA H 4.33 . 1 174 . 29 LYS HB2 H 1.84 . 2 175 . 29 LYS HB3 H 1.72 . 2 176 . 29 LYS HG2 H 1.42 . 2 177 . 29 LYS HG3 H 1.41 . 2 178 . 29 LYS HD2 H 1.63 . 1 179 . 29 LYS HD3 H 1.63 . 1 180 . 29 LYS HE2 H 2.92 . 1 181 . 29 LYS HE3 H 2.92 . 1 182 . 29 LYS HZ H 7.39 . 1 183 . 30 THR H H 7.63 . 1 184 . 30 THR HA H 4.2 . 1 185 . 30 THR HB H 4.24 . 1 186 . 30 THR HG2 H 1.12 . 1 stop_ save_