data_16499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; (1-77)Apomyoglobin ; _BMRB_accession_number 16499 _BMRB_flat_file_name bmr16499.str _Entry_type original _Submission_date 2009-09-15 _Accession_date 2009-09-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of 1H, 13C, and 15N Resonances in Unfolded (1-77)Apomyoglobin at pH 2.40. Chemical shift reference - DSS' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fedyukina Daria . . 2 Cavagnero Silvia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 76 "13C chemical shifts" 227 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16500 (1-119)Apomyoglobin 16501 (1-153)Apomyoglobin stop_ _Original_release_date 2010-11-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Contribution of long-range interactions to the secondary structure of an unfolded globin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20816043 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fedyukina Daria V. . 2 Rajagopalan Senapathy . . 3 Sekhar Ashok . . 4 Fulmer Eric C. . 5 Eun Ye-Jin . . 6 Cavagnero Silvia . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 99 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first L37 _Page_last L39 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '(1-77)Apomyoglobin pH 2.40' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label (1-77)Apomyoglobin $1-77_Apomyoglobin stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_1-77_Apomyoglobin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1-77_Apomyoglobin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; MVLSEGEWQLVLHVWAKVEA DVAGHGQDILIRLFKSHPET LEKFDRFKHLKTEAEMKASE DLKKHGVTVLTALGAILK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 VAL 3 2 LEU 4 3 SER 5 4 GLU 6 5 GLY 7 6 GLU 8 7 TRP 9 8 GLN 10 9 LEU 11 10 VAL 12 11 LEU 13 12 HIS 14 13 VAL 15 14 TRP 16 15 ALA 17 16 LYS 18 17 VAL 19 18 GLU 20 19 ALA 21 20 ASP 22 21 VAL 23 22 ALA 24 23 GLY 25 24 HIS 26 25 GLY 27 26 GLN 28 27 ASP 29 28 ILE 30 29 LEU 31 30 ILE 32 31 ARG 33 32 LEU 34 33 PHE 35 34 LYS 36 35 SER 37 36 HIS 38 37 PRO 39 38 GLU 40 39 THR 41 40 LEU 42 41 GLU 43 42 LYS 44 43 PHE 45 44 ASP 46 45 ARG 47 46 PHE 48 47 LYS 49 48 HIS 50 49 LEU 51 50 LYS 52 51 THR 53 52 GLU 54 53 ALA 55 54 GLU 56 55 MET 57 56 LYS 58 57 ALA 59 58 SER 60 59 GLU 61 60 ASP 62 61 LEU 63 62 LYS 64 63 LYS 65 64 HIS 66 65 GLY 67 66 VAL 68 67 THR 69 68 VAL 70 69 LEU 71 70 THR 72 71 ALA 73 72 LEU 74 73 GLY 75 74 ALA 76 75 ILE 77 76 LEU 78 77 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 1027 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1029 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1200 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1413 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1455 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1457 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1459 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1461 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1463 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1465 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1467 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1469 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 1471 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 15589 Apomyoglobin_(1-77) 98.72 77 100.00 100.00 1.13e-45 BMRB 16217 apomyoglobin 98.72 119 100.00 100.00 1.89e-45 BMRB 16218 apoMb_1-119_fragment 98.72 119 100.00 100.00 1.89e-45 BMRB 16500 (1-119)Apomyoglobin 100.00 120 100.00 100.00 2.19e-46 BMRB 16501 (1-153)Apomyoglobin 100.00 154 100.00 100.00 3.70e-46 BMRB 1752 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2345 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2346 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2347 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2348 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2431 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2432 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2433 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 2434 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 291 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 292 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 293 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 40 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 4061 apomyoglobin 100.00 154 100.00 100.00 3.70e-46 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 3.70e-46 BMRB 426 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 4568 myoglobin 98.72 153 100.00 100.00 3.40e-45 BMRB 4676 "unfolded myoglobin" 98.72 153 100.00 100.00 3.40e-45 BMRB 4695 myoglobin 98.72 153 98.70 98.70 6.20e-44 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.72 98.72 4.53e-45 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 98.72 98.72 7.63e-45 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.72 98.72 7.63e-45 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 98.72 153 100.00 100.00 3.40e-45 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 98.72 153 100.00 100.00 3.40e-45 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 98.72 98.72 1.95e-45 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.72 98.72 1.95e-45 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 98.72 98.72 1.95e-45 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 3.36e-46 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 3.36e-46 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 3.36e-46 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 3.36e-46 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 98.72 151 100.00 100.00 2.24e-45 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 98.72 151 100.00 100.00 3.49e-45 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 98.72 151 100.00 100.00 3.49e-45 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 98.72 151 100.00 100.00 3.49e-45 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 100.00 100.00 3.36e-46 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 98.72 153 100.00 100.00 3.40e-45 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 98.72 153 100.00 100.00 3.40e-45 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 98.72 153 100.00 100.00 3.40e-45 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 98.72 153 100.00 100.00 3.40e-45 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 98.72 153 100.00 100.00 3.40e-45 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 98.72 153 100.00 100.00 3.40e-45 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 98.72 153 100.00 100.00 3.40e-45 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 100.00 100.00 3.58e-46 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 100.00 100.00 3.91e-46 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 100.00 100.00 6.58e-46 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 100.00 100.00 3.43e-46 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 100.00 100.00 3.78e-46 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 100.00 100.00 2.73e-46 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 100.00 100.00 3.18e-46 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 100.00 100.00 3.25e-46 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 100.00 100.00 3.29e-46 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 100.00 100.00 3.25e-46 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 100.00 100.00 3.11e-46 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 100.00 100.00 3.91e-46 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 100.00 100.00 6.58e-46 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 98.72 153 100.00 100.00 3.40e-45 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 98.72 154 98.70 98.70 4.18e-44 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 98.72 154 98.70 98.70 4.18e-44 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 98.72 154 98.70 98.70 4.18e-44 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 98.72 154 98.70 98.70 4.18e-44 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 100.00 100.00 3.58e-46 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 98.72 153 100.00 100.00 3.18e-45 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 98.72 153 100.00 100.00 3.18e-45 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 98.72 153 100.00 100.00 3.40e-45 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 98.72 153 100.00 100.00 3.40e-45 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 97.44 97.44 1.09e-43 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.72 98.72 2.88e-45 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 98.72 153 100.00 100.00 3.40e-45 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 100.00 100.00 3.83e-46 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.72 98.72 1.90e-45 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 100.00 100.00 3.36e-46 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 98.72 98.72 1.16e-45 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 98.72 153 100.00 100.00 3.40e-45 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 98.72 153 100.00 100.00 3.40e-45 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 98.72 153 100.00 100.00 3.40e-45 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 98.72 153 100.00 100.00 3.40e-45 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 100.00 100.00 3.36e-46 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 98.72 153 100.00 100.00 3.40e-45 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 98.72 98.72 5.63e-45 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" 100.00 154 97.44 97.44 2.71e-44 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 98.72 153 100.00 100.00 3.40e-45 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 98.72 153 100.00 100.00 3.40e-45 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 98.72 153 100.00 100.00 3.40e-45 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 97.44 97.44 1.30e-44 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 98.72 100.00 1.64e-45 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.26e-45 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.26e-45 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.26e-45 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.95e-45 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.95e-45 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 98.72 1.95e-45 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 5.24e-46 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 5.24e-46 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 5.24e-46 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 1.06e-45 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 1.06e-45 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.72 100.00 1.06e-45 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 97.44 97.44 3.56e-44 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.72 98.72 1.16e-45 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 9.58e-45 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 8.06e-45 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 8.06e-45 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.72 98.72 2.97e-45 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.72 98.72 4.53e-45 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.72 98.72 4.53e-45 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 98.72 153 100.00 100.00 3.40e-45 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 98.72 98.72 4.53e-45 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 97.44 97.44 4.18e-44 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 97.44 97.44 1.83e-43 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 97.44 97.44 2.56e-43 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 98.72 153 100.00 100.00 3.40e-45 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 98.72 153 100.00 100.00 3.40e-45 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 100.00 100.00 3.36e-46 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 98.72 153 100.00 100.00 3.40e-45 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 98.72 153 100.00 100.00 3.40e-45 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.72 98.72 1.90e-45 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 100.00 100.00 3.70e-46 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.72 98.72 1.90e-45 PDB 1VXA "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXB "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXC "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXD "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXE "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXF "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXG "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1VXH "Native Sperm Whale Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 98.72 153 98.70 98.70 6.77e-44 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 98.72 153 100.00 100.00 3.40e-45 PDB 1YOH "Cobalt Myoglobin (Met)" 98.72 153 100.00 100.00 3.40e-45 PDB 1YOI "Cobalt Myoglobin (Oxy)" 98.72 153 100.00 100.00 3.40e-45 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 98.72 153 98.70 98.70 4.07e-44 PDB 2BLI "L29w Mb Deoxy" 98.72 153 98.70 98.70 4.07e-44 PDB 2BLJ "Structure Of L29w Mbco" 98.72 153 98.70 98.70 4.07e-44 PDB 2BW9 "Laue Structure Of L29w Mbco" 98.72 153 98.70 98.70 4.07e-44 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 98.72 153 98.70 98.70 4.07e-44 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 98.72 153 100.00 100.00 3.40e-45 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 98.72 153 100.00 100.00 3.40e-45 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 3.70e-46 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 100.00 100.00 3.70e-46 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 98.72 98.72 1.90e-45 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 98.72 153 100.00 100.00 3.40e-45 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 98.72 153 100.00 100.00 3.40e-45 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 98.72 153 100.00 100.00 3.18e-45 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 98.72 153 100.00 100.00 3.18e-45 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 98.72 98.72 1.16e-45 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 98.72 98.72 1.16e-45 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 98.72 98.72 1.16e-45 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 98.72 98.72 1.16e-45 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 98.72 98.72 1.16e-45 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 98.72 98.72 1.16e-45 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 98.72 98.72 1.16e-45 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 98.72 98.72 1.16e-45 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 98.72 98.72 1.16e-45 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 3.70e-46 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 97.44 153 100.00 100.00 1.52e-44 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 100.00 100.00 3.36e-46 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 9.58e-45 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 9.58e-45 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 1.40e-44 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 1.40e-44 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 1.40e-44 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 3.31e-45 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 3.31e-45 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 3.31e-45 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 8.06e-45 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 1.68e-44 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 3.36e-46 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 3.36e-46 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 3.36e-46 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 98.72 153 100.00 100.00 3.40e-45 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 98.72 153 100.00 100.00 3.40e-45 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 98.72 153 100.00 100.00 3.40e-45 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 98.72 153 100.00 100.00 3.40e-45 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 98.72 153 100.00 100.00 3.40e-45 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 98.72 98.72 9.90e-45 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 98.72 98.72 9.38e-45 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 100.00 100.00 6.17e-46 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 100.00 100.00 6.95e-46 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.72 98.72 1.16e-45 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.72 98.72 1.16e-45 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.72 98.72 1.16e-45 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.72 100.00 9.51e-46 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 100.00 100.00 3.70e-46 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 98.72 153 100.00 100.00 3.40e-45 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 100.00 100.00 5.13e-46 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 100.00 100.00 3.36e-46 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 98.72 153 100.00 100.00 3.40e-45 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 98.72 153 100.00 100.00 3.40e-45 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 98.72 153 100.00 100.00 3.40e-45 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 98.72 153 100.00 100.00 3.40e-45 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 98.72 153 100.00 100.00 3.40e-45 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 98.72 153 100.00 100.00 3.40e-45 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 97.44 97.44 1.13e-43 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 97.44 97.44 1.13e-43 PDB 3MN0 "Introducing A 2-His-1-Glu Non-Heme Iron Center Into Myoglobin Confers Nitric Oxide Reductase Activity: Cu(Ii)-Cn-Febmb(-His) Fo" 98.72 153 97.40 97.40 6.04e-43 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 98.72 98.72 2.71e-44 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 98.72 153 98.70 98.70 4.58e-44 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 98.72 98.72 2.71e-44 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 98.72 98.72 1.40e-44 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 100.00 100.00 3.70e-46 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 98.72 153 97.40 97.40 5.85e-43 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 98.72 98.72 5.28e-45 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 98.72 98.72 5.28e-45 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 98.72 98.72 5.28e-45 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 97.44 98.72 9.90e-45 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 98.72 153 100.00 100.00 3.40e-45 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 100.00 100.00 3.70e-46 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 100.00 100.00 3.70e-46 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 98.72 153 98.70 98.70 1.21e-44 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 98.72 98.72 3.07e-45 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 100.00 100.00 3.70e-46 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 98.72 98.72 4.79e-45 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 97.44 97.44 7.04e-44 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 98.72 98.72 6.77e-45 PDB 4QAU "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" 100.00 154 98.72 100.00 9.11e-46 PDB 5C6Y "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" 100.00 154 97.44 98.72 9.90e-45 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 98.72 153 100.00 100.00 3.40e-45 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 3.70e-46 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 100.00 100.00 3.36e-46 PRF 742482A myoglobin 98.72 153 100.00 100.00 2.73e-45 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 3.70e-46 SP P02185 "RecName: Full=Myoglobin" 100.00 154 100.00 100.00 3.70e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $1-77_Apomyoglobin 'Sperm Whale' 9755 Eukaryota Metazoa Physeter catodon 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 $1-77_Apomyoglobin 'recombinant technology' 'E. coli' Escherichia coli BL21-DE3 pET-17b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5 mM CD3COOH in H2O, pH 2.40, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1-77_Apomyoglobin 313 uM '[U-99% 13C; U-99% 15N]' CD3COOH 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 pH 2.40 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'external referencing to DSS' 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 C 13 'methyl carbon' ppm 0.0 external indirect . . . 1 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1 DSS N 15 nitrogen ppm 0.0 external indirect . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name (1-77)Apomyoglobin _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 0 1 MET C C 178.524 . 1 2 0 1 MET CA C 55.093 . 1 3 1 2 VAL H H 8.609 . 1 4 1 2 VAL C C 175.475 . 1 5 1 2 VAL CA C 62.316 . 1 6 1 2 VAL CB C 33.004 . 1 7 1 2 VAL N N 123.77 . 1 8 2 3 LEU H H 8.467 . 1 9 2 3 LEU C C 177.062 . 1 10 2 3 LEU CA C 54.93 . 1 11 2 3 LEU CB C 42.663 . 1 12 2 3 LEU N N 127.122 . 1 13 3 4 SER H H 8.285 . 1 14 3 4 SER C C 174.598 . 1 15 3 4 SER CA C 57.978 . 1 16 3 4 SER CB C 63.977 . 1 17 3 4 SER N N 117.114 . 1 18 4 5 GLU H H 8.533 . 1 19 4 5 GLU C C 176.875 . 1 20 4 5 GLU CA C 56.749 . 1 21 4 5 GLU CB C 28.628 . 1 22 4 5 GLU N N 122.157 . 1 23 5 6 GLY H H 8.448 . 1 24 5 6 GLY C C 174.751 . 1 25 5 6 GLY CA C 45.695 . 1 26 5 6 GLY N N 108.744 . 1 27 6 7 GLU H H 8.108 . 1 28 6 7 GLU C C 176.594 . 1 29 6 7 GLU CA C 56.709 . 1 30 6 7 GLU CB C 28.679 . 1 31 6 7 GLU N N 120.302 . 1 32 7 8 TRP H H 8.202 . 1 33 7 8 TRP C C 176.601 . 1 34 7 8 TRP CA C 58.047 . 1 35 7 8 TRP CB C 29.478 . 1 36 7 8 TRP N N 121.044 . 1 37 8 9 GLN H H 8.105 . 1 38 8 9 GLN C C 176.273 . 1 39 8 9 GLN CA C 56.836 . 1 40 8 9 GLN CB C 29.362 . 1 41 8 9 GLN N N 119.544 . 1 42 9 10 LEU H H 7.864 . 1 43 9 10 LEU C C 177.668 . 1 44 9 10 LEU CA C 56.243 . 1 45 9 10 LEU CB C 42.201 . 1 46 9 10 LEU N N 121.747 . 1 47 10 11 VAL H H 7.947 . 1 48 10 11 VAL C C 176.257 . 1 49 10 11 VAL CA C 63.151 . 1 50 10 11 VAL CB C 32.469 . 1 51 10 11 VAL N N 120.653 . 1 52 11 12 LEU H H 8.118 . 1 53 11 12 LEU C C 177.38 . 1 54 11 12 LEU CA C 55.647 . 1 55 11 12 LEU CB C 42.179 . 1 56 11 12 LEU N N 123.546 . 1 57 12 13 HIS H H 8.251 . 1 58 12 13 HIS C C 174.521 . 1 59 12 13 HIS CA C 55.78 . 1 60 12 13 HIS CB C 28.695 . 1 61 12 13 HIS N N 117.8 . 1 62 13 14 VAL H H 8.006 . 1 63 13 14 VAL C C 175.953 . 1 64 13 14 VAL CA C 62.919 . 1 65 13 14 VAL CB C 32.837 . 1 66 13 14 VAL N N 120.719 . 1 67 14 15 TRP H H 8.276 . 1 68 14 15 TRP C C 175.866 . 1 69 14 15 TRP CA C 57.517 . 1 70 14 15 TRP CB C 29.806 . 1 71 14 15 TRP N N 124.208 . 1 72 15 16 ALA H H 8.198 . 1 73 15 16 ALA C C 177.482 . 1 74 15 16 ALA CA C 52.72 . 1 75 15 16 ALA CB C 19.541 . 1 76 15 16 ALA N N 124.256 . 1 77 16 17 LYS H H 8.029 . 1 78 16 17 LYS C C 176.838 . 1 79 16 17 LYS CA C 56.745 . 1 80 16 17 LYS CB C 32.919 . 1 81 16 17 LYS N N 120.159 . 1 82 17 18 VAL H H 8.062 . 1 83 17 18 VAL C C 176.418 . 1 84 17 18 VAL CA C 62.658 . 1 85 17 18 VAL CB C 32.839 . 1 86 17 18 VAL N N 121.017 . 1 87 18 19 GLU H H 8.349 . 1 88 18 19 GLU C C 176.039 . 1 89 18 19 GLU CA C 55.964 . 1 90 18 19 GLU CB C 28.777 . 1 91 18 19 GLU N N 123.458 . 1 92 19 20 ALA H H 8.148 . 1 93 19 20 ALA C C 177.553 . 1 94 19 20 ALA CA C 52.845 . 1 95 19 20 ALA CB C 19.373 . 1 96 19 20 ALA N N 124.554 . 1 97 20 21 ASP H H 8.33 . 1 98 20 21 ASP C C 175.403 . 1 99 20 21 ASP CA C 53.195 . 1 100 20 21 ASP CB C 38.274 . 1 101 20 21 ASP N N 117.808 . 1 102 21 22 VAL H H 8.003 . 1 103 21 22 VAL C C 176.063 . 1 104 21 22 VAL CA C 62.481 . 1 105 21 22 VAL CB C 32.73 . 1 106 21 22 VAL N N 120.157 . 1 107 22 23 ALA H H 8.316 . 1 108 22 23 ALA C C 178.259 . 1 109 22 23 ALA CA C 52.841 . 1 110 22 23 ALA CB C 19.118 . 1 111 22 23 ALA N N 126.802 . 1 112 23 24 GLY H H 8.28 . 1 113 23 24 GLY C C 174.27 . 1 114 23 24 GLY CA C 45.402 . 1 115 23 24 GLY N N 107.696 . 1 116 24 25 HIS H H 8.377 . 1 117 24 25 HIS C C 175.035 . 1 118 24 25 HIS CA C 55.417 . 1 119 24 25 HIS CB C 28.981 . 1 120 24 25 HIS N N 117.683 . 1 121 25 26 GLY H H 8.548 . 1 122 25 26 GLY C C 174.217 . 1 123 25 26 GLY CA C 45.612 . 1 124 25 26 GLY N N 109.714 . 1 125 26 27 GLN H H 8.346 . 1 126 26 27 GLN C C 175.947 . 1 127 26 27 GLN CA C 56.279 . 1 128 26 27 GLN CB C 29.534 . 1 129 26 27 GLN N N 119.736 . 1 130 27 28 ASP H H 8.54 . 1 131 27 28 ASP C C 175.402 . 1 132 27 28 ASP CA C 53.609 . 1 133 27 28 ASP CB C 38.321 . 1 134 27 28 ASP N N 120.16 . 1 135 28 29 ILE H H 8.049 . 1 136 28 29 ILE C C 176.085 . 1 137 28 29 ILE CA C 61.72 . 1 138 28 29 ILE CB C 38.507 . 1 139 28 29 ILE N N 121.02 . 1 140 29 30 LEU H H 8.109 . 1 141 29 30 LEU C C 177.261 . 1 142 29 30 LEU CA C 55.642 . 1 143 29 30 LEU CB C 42.184 . 1 144 29 30 LEU N N 124.93 . 1 145 30 31 ILE H H 8.005 . 1 146 30 31 ILE C C 176.341 . 1 147 30 31 ILE CA C 61.648 . 1 148 30 31 ILE CB C 38.5 . 1 149 30 31 ILE N N 121.524 . 1 150 31 32 ARG H H 8.168 . 1 151 31 32 ARG C C 176.21 . 1 152 31 32 ARG CA C 56.502 . 1 153 31 32 ARG CB C 30.777 . 1 154 31 32 ARG N N 123.997 . 1 155 32 33 LEU H H 8.092 . 1 156 32 33 LEU C C 177.128 . 1 157 32 33 LEU CA C 55.403 . 1 158 32 33 LEU CB C 42.49 . 1 159 32 33 LEU N N 122.825 . 1 160 33 34 PHE H H 8.206 . 1 161 33 34 PHE C C 175.76 . 1 162 33 34 PHE CA C 57.874 . 1 163 33 34 PHE CB C 39.658 . 1 164 33 34 PHE N N 120.792 . 1 165 34 35 LYS H H 8.172 . 1 166 34 35 LYS C C 176.252 . 1 167 34 35 LYS CA C 56.336 . 1 168 34 35 LYS CB C 33.199 . 1 169 34 35 LYS N N 122.494 . 1 170 35 36 SER H H 8.157 . 1 171 35 36 SER C C 173.872 . 1 172 35 36 SER CA C 58.349 . 1 173 35 36 SER CB C 63.909 . 1 174 35 36 SER N N 116.25 . 1 175 36 37 HIS H H 8.466 . 1 176 36 37 HIS C C 173.872 . 1 177 36 37 HIS CA C 53.474 . 1 178 36 37 HIS CB C 28.76 . 1 179 36 37 HIS N N 120.121 . 1 180 37 38 PRO C C 177.117 . 1 181 37 38 PRO CA C 63.528 . 1 182 37 38 PRO CB C 32.15 . 1 183 38 39 GLU H H 8.654 . 1 184 38 39 GLU C C 176.43 . 1 185 38 39 GLU CA C 56.163 . 1 186 38 39 GLU CB C 29.023 . 1 187 38 39 GLU N N 121.086 . 1 188 39 40 THR H H 8.238 . 1 189 39 40 THR C C 174.458 . 1 190 39 40 THR CA C 62.288 . 1 191 39 40 THR CB C 69.69 . 1 192 39 40 THR N N 116.306 . 1 193 40 41 LEU H H 8.24 . 1 194 40 41 LEU C C 177.316 . 1 195 40 41 LEU CA C 55.493 . 1 196 40 41 LEU CB C 42.385 . 1 197 40 41 LEU N N 124.724 . 1 198 41 42 GLU H H 8.282 . 1 199 41 42 GLU C C 176.206 . 1 200 41 42 GLU CA C 56.221 . 1 201 41 42 GLU CB C 28.814 . 1 202 41 42 GLU N N 121.26 . 1 203 42 43 LYS H H 8.202 . 1 204 42 43 LYS C C 176.434 . 1 205 42 43 LYS CA C 56.775 . 1 206 42 43 LYS CB C 32.956 . 1 207 42 43 LYS N N 121.932 . 1 208 43 44 PHE H H 8.168 . 1 209 43 44 PHE C C 175.569 . 1 210 43 44 PHE CA C 57.95 . 1 211 43 44 PHE CB C 39.683 . 1 212 43 44 PHE N N 120.678 . 1 213 44 45 ASP H H 8.361 . 1 214 44 45 ASP C C 175.632 . 1 215 44 45 ASP CA C 53.329 . 1 216 44 45 ASP CB C 38.988 . 1 217 44 45 ASP N N 121.297 . 1 218 45 46 ARG H H 8.145 . 1 219 45 46 ARG C C 176.291 . 1 220 45 46 ARG CA C 57.055 . 1 221 45 46 ARG CB C 30.311 . 1 222 45 46 ARG N N 121.772 . 1 223 46 47 PHE H H 8.002 . 1 224 46 47 PHE C C 175.838 . 1 225 46 47 PHE CA C 57.842 . 1 226 46 47 PHE CB C 39.194 . 1 227 46 47 PHE N N 119.3 . 1 228 47 48 LYS H H 7.978 . 1 229 47 48 LYS C C 176.262 . 1 230 47 48 LYS CA C 56.682 . 1 231 47 48 LYS CB C 33.06 . 1 232 47 48 LYS N N 121.366 . 1 233 48 49 HIS H H 8.432 . 1 234 48 49 HIS C C 174.354 . 1 235 48 49 HIS CA C 55.331 . 1 236 48 49 HIS CB C 28.828 . 1 237 48 49 HIS N N 119.301 . 1 238 49 50 LEU H H 8.262 . 1 239 49 50 LEU C C 177.427 . 1 240 49 50 LEU CA C 55.384 . 1 241 49 50 LEU CB C 42.63 . 1 242 49 50 LEU N N 123.686 . 1 243 50 51 LYS H H 8.398 . 1 244 50 51 LYS C C 176.889 . 1 245 50 51 LYS CA C 56.705 . 1 246 50 51 LYS CB C 33.207 . 1 247 50 51 LYS N N 122.507 . 1 248 51 52 THR H H 8.068 . 1 249 51 52 THR C C 174.935 . 1 250 51 52 THR CA C 61.851 . 1 251 51 52 THR CB C 70.029 . 1 252 51 52 THR N N 114.963 . 1 253 52 53 GLU H H 8.503 . 1 254 52 53 GLU C C 176.678 . 1 255 52 53 GLU CA C 56.995 . 1 256 52 53 GLU CB C 28.607 . 1 257 52 53 GLU N N 122.372 . 1 258 53 54 ALA H H 8.336 . 1 259 53 54 ALA C C 178.732 . 1 260 53 54 ALA CA C 53.533 . 1 261 53 54 ALA CB C 18.942 . 1 262 53 54 ALA N N 123.863 . 1 263 54 55 GLU H H 8.132 . 1 264 54 55 GLU C C 177.098 . 1 265 54 55 GLU CA C 56.616 . 1 266 54 55 GLU CB C 28.755 . 1 267 54 55 GLU N N 118.981 . 1 268 55 56 MET H H 8.325 . 1 269 55 56 MET C C 176.968 . 1 270 55 56 MET CA C 56.518 . 1 271 55 56 MET CB C 32.777 . 1 272 55 56 MET N N 121.473 . 1 273 56 57 LYS H H 8.258 . 1 274 56 57 LYS C C 176.989 . 1 275 56 57 LYS CA C 57.017 . 1 276 56 57 LYS CB C 32.872 . 1 277 56 57 LYS N N 122.087 . 1 278 57 58 ALA H H 8.182 . 1 279 57 58 ALA C C 178.482 . 1 280 57 58 ALA CA C 53.28 . 1 281 57 58 ALA CB C 19.046 . 1 282 57 58 ALA N N 124.061 . 1 283 58 59 SER H H 8.169 . 1 284 58 59 SER C C 175.177 . 1 285 58 59 SER CA C 59.081 . 1 286 58 59 SER CB C 63.611 . 1 287 58 59 SER N N 114.351 . 1 288 59 60 GLU H H 8.213 . 1 289 59 60 GLU C C 176.158 . 1 290 59 60 GLU CA C 56.441 . 1 291 59 60 GLU CB C 28.785 . 1 292 59 60 GLU N N 121.686 . 1 293 60 61 ASP H H 8.358 . 1 294 60 61 ASP C C 175.472 . 1 295 60 61 ASP CA C 53.543 . 1 296 60 61 ASP CB C 38.483 . 1 297 60 61 ASP N N 119.621 . 1 298 61 62 LEU H H 8.093 . 1 299 61 62 LEU C C 177.543 . 1 300 61 62 LEU CA C 55.651 . 1 301 61 62 LEU CB C 42.28 . 1 302 61 62 LEU N N 122.547 . 1 303 62 63 LYS H H 8.119 . 1 304 62 63 LYS C C 176.66 . 1 305 62 63 LYS CA C 56.391 . 1 306 62 63 LYS CB C 32.873 . 1 307 62 63 LYS N N 121.102 . 1 308 63 64 LYS H H 8.157 . 1 309 63 64 LYS C C 176.402 . 1 310 63 64 LYS CA C 56.453 . 1 311 63 64 LYS CB C 33.102 . 1 312 63 64 LYS N N 121.731 . 1 313 64 65 HIS H H 8.519 . 1 314 64 65 HIS C C 174.743 . 1 315 64 65 HIS CA C 55.353 . 1 316 64 65 HIS CB C 29.254 . 1 317 64 65 HIS N N 119.538 . 1 318 65 66 GLY H H 8.458 . 1 319 65 66 GLY C C 173.816 . 1 320 65 66 GLY CA C 45.241 . 1 321 65 66 GLY N N 110.378 . 1 322 66 67 VAL H H 8.11 . 1 323 66 67 VAL C C 176.326 . 1 324 66 67 VAL CA C 62.219 . 1 325 66 67 VAL CB C 33.091 . 1 326 66 67 VAL N N 119.456 . 1 327 67 68 THR H H 8.359 . 1 328 67 68 THR C C 174.221 . 1 329 67 68 THR CA C 62.149 . 1 330 67 68 THR CB C 69.879 . 1 331 67 68 THR N N 119.648 . 1 332 68 69 VAL H H 8.304 . 1 333 68 69 VAL C C 175.775 . 1 334 68 69 VAL CA C 62.249 . 1 335 68 69 VAL CB C 32.893 . 1 336 68 69 VAL N N 124.109 . 1 337 69 70 LEU H H 8.4 . 1 338 69 70 LEU C C 177.474 . 1 339 69 70 LEU CA C 55.207 . 1 340 69 70 LEU CB C 42.507 . 1 341 69 70 LEU N N 126.33 . 1 342 70 71 THR H H 8.093 . 1 343 70 71 THR C C 174.343 . 1 344 70 71 THR CA C 61.783 . 1 345 70 71 THR CB C 69.975 . 1 346 70 71 THR N N 115.115 . 1 347 71 72 ALA H H 8.34 . 1 348 71 72 ALA C C 177.729 . 1 349 71 72 ALA CA C 52.698 . 1 350 71 72 ALA CB C 19.189 . 1 351 71 72 ALA N N 126.252 . 1 352 72 73 LEU H H 8.178 . 1 353 72 73 LEU C C 178.018 . 1 354 72 73 LEU CA C 55.537 . 1 355 72 73 LEU CB C 42.314 . 1 356 72 73 LEU N N 121.132 . 1 357 73 74 GLY H H 8.312 . 1 358 73 74 GLY C C 173.777 . 1 359 73 74 GLY CA C 45.346 . 1 360 73 74 GLY N N 109.255 . 1 361 74 75 ALA H H 7.995 . 1 362 74 75 ALA C C 177.5 . 1 363 74 75 ALA CA C 52.386 . 1 364 74 75 ALA CB C 19.48 . 1 365 74 75 ALA N N 123.421 . 1 366 75 76 ILE H H 8.091 . 1 367 75 76 ILE C C 176.075 . 1 368 75 76 ILE CA C 61.084 . 1 369 75 76 ILE CB C 38.68 . 1 370 75 76 ILE N N 120.157 . 1 371 76 77 LEU H H 8.293 . 1 372 76 77 LEU C C 176.772 . 1 373 76 77 LEU CA C 54.969 . 1 374 76 77 LEU CB C 42.415 . 1 375 76 77 LEU N N 126.922 . 1 376 77 78 LYS H H 8.307 . 1 377 77 78 LYS CA C 55.606 . 1 378 77 78 LYS CB C 32.946 . 1 379 77 78 LYS N N 123.972 . 1 stop_ save_