data_4061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Overexpression of Myoglobin and Assignment of Its Amide, C Alpha and C Beta Resonances ; _BMRB_accession_number 4061 _BMRB_flat_file_name bmr4061.str _Entry_type update _Submission_date 1997-10-02 _Accession_date 1997-10-03 _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 Jennings Patricia A. . 2 Stone Martin J. . 3 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 143 "13C chemical shifts" 267 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-21 updated author 'sample concentrations added and sequence renumbered' 1998-02-25 reformat BMRB 'converted to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Jennings, P. A., Stone, M. J., and Wright, P. E., "Overexpession of Myoglobin and Assignment of Its amide, C Alpha and C Beta Resonances," J. Biomol. NMR 6, 271-276 (1995). ; _Citation_title ; Overexpression of Myoglobin and Assignment of Its Amide, C Alpha and C Beta Resonances ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96088117 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jennings Patricia A. . 2 Stone Martin J. . 3 Wright Peter E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 271 _Page_last 276 _Year 1995 _Details . loop_ _Keyword 'Heme protein' 'Heteronuclear NMR' 'Inclusion bodies' Myoglobin stop_ save_ ################################## # Molecular system description # ################################## save_MbCO _Saveframe_category molecular_system _Mol_system_name 'myoglobin carbon monoxide complex' _Abbreviation_common MbCO _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apomyoglobin $apoMb 'Iron protoporphyrin IX' $entity_PP9 'Carbon monoxide' $entity_CMO stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Oxygen storage protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apoMb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apomyoglobin _Abbreviation_common apoMb _Molecular_mass . _Mol_thiol_state . loop_ _Biological_function 'Oxygen storage protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MVLSEGEWQLVLHVWAKVEA DVAGHGQDILIRLFKSHPET LEKFDRFKHLKTEAEMKASE DLKKHGVTVLTALGAILKKK GHHEAELKPLAQSHATKHKI PIKYLEFISEAIIHVLHSRH PGDFGADAQGAMNKALELFR KDIAAKYKELGYQG ; 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 79 78 LYS 80 79 LYS 81 80 GLY 82 81 HIS 83 82 HIS 84 83 GLU 85 84 ALA 86 85 GLU 87 86 LEU 88 87 LYS 89 88 PRO 90 89 LEU 91 90 ALA 92 91 GLN 93 92 SER 94 93 HIS 95 94 ALA 96 95 THR 97 96 LYS 98 97 HIS 99 98 LYS 100 99 ILE 101 100 PRO 102 101 ILE 103 102 LYS 104 103 TYR 105 104 LEU 106 105 GLU 107 106 PHE 108 107 ILE 109 108 SER 110 109 GLU 111 110 ALA 112 111 ILE 113 112 ILE 114 113 HIS 115 114 VAL 116 115 LEU 117 116 HIS 118 117 SER 119 118 ARG 120 119 HIS 121 120 PRO 122 121 GLY 123 122 ASP 124 123 PHE 125 124 GLY 126 125 ALA 127 126 ASP 128 127 ALA 129 128 GLN 130 129 GLY 131 130 ALA 132 131 MET 133 132 ASN 134 133 LYS 135 134 ALA 136 135 LEU 137 136 GLU 138 137 LEU 139 138 PHE 140 139 ARG 141 140 LYS 142 141 ASP 143 142 ILE 144 143 ALA 145 144 ALA 146 145 LYS 147 146 TYR 148 147 LYS 149 148 GLU 150 149 LEU 151 150 GLY 152 151 TYR 153 152 GLN 154 153 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 99.35 153 100.00 100.00 1.72e-103 BMRB 1029 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1200 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1413 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1455 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1457 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1459 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1461 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1463 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1465 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1467 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1469 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 1471 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 15589 Apomyoglobin_(1-77) 50.00 77 100.00 100.00 7.65e-45 BMRB 16217 apomyoglobin 77.27 119 100.00 100.00 2.88e-76 BMRB 16218 apoMb_1-119_fragment 77.27 119 100.00 100.00 2.88e-76 BMRB 16499 1-77_Apomyoglobin 50.65 78 100.00 100.00 7.31e-46 BMRB 16500 (1-119)Apomyoglobin 77.92 120 100.00 100.00 3.87e-77 BMRB 16501 (1-153)Apomyoglobin 100.00 154 100.00 100.00 1.44e-104 BMRB 1752 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2345 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2346 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2347 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2348 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2431 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2432 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2433 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 2434 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 291 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 292 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 293 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 40 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 1.44e-104 BMRB 426 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 4568 myoglobin 99.35 153 100.00 100.00 1.72e-103 BMRB 4676 "unfolded myoglobin" 99.35 153 100.00 100.00 1.72e-103 BMRB 4695 myoglobin 99.35 153 99.35 99.35 1.88e-102 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 99.35 4.80e-103 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 98.70 99.35 7.76e-103 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 99.35 7.76e-103 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 99.35 153 100.00 100.00 1.72e-103 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 99.35 153 100.00 100.00 1.72e-103 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 98.70 99.35 3.65e-103 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 99.35 3.65e-103 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 98.70 99.35 3.65e-103 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 5.22e-104 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 5.22e-104 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 5.22e-104 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 5.22e-104 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 98.05 151 99.34 100.00 2.17e-101 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 98.05 151 100.00 100.00 9.24e-102 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 98.05 151 100.00 100.00 9.24e-102 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 98.05 151 100.00 100.00 9.24e-102 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 99.35 100.00 5.22e-104 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 99.35 153 100.00 100.00 1.72e-103 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 99.35 153 100.00 100.00 1.72e-103 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 99.35 153 100.00 100.00 1.72e-103 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 99.35 153 100.00 100.00 1.72e-103 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 99.35 153 100.00 100.00 1.72e-103 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 99.35 153 100.00 100.00 1.72e-103 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 99.35 153 100.00 100.00 1.72e-103 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 98.70 99.35 9.86e-103 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 98.70 99.35 2.18e-103 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 98.70 99.35 5.41e-103 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 98.70 99.35 1.04e-102 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 98.70 99.35 6.80e-103 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 98.70 99.35 3.73e-103 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 98.70 99.35 3.00e-103 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 98.70 100.00 7.91e-104 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 98.70 99.35 3.69e-103 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 98.70 100.00 1.21e-103 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 98.70 99.35 5.77e-103 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 98.70 99.35 2.18e-103 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 98.70 99.35 5.41e-103 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 99.35 153 100.00 100.00 1.72e-103 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 99.35 154 98.69 99.35 5.98e-102 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 99.35 154 98.69 99.35 5.98e-102 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 99.35 154 98.69 99.35 5.98e-102 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 99.35 154 98.69 99.35 5.98e-102 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 98.70 99.35 6.80e-103 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 99.35 153 99.35 99.35 3.58e-102 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 99.35 153 99.35 99.35 3.58e-102 PDB 1DXC "Co Complex Of Myoglobin Mb-Yqr At 100k" 100.00 154 97.40 98.05 1.73e-101 PDB 1DXD "Photolyzed Co Complex Of Myoglobin Mb-Yqr At 20k" 100.00 154 97.40 98.05 1.73e-101 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 99.35 153 100.00 100.00 1.72e-103 PDB 1F63 "Crystal Structure Of Deoxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.40 98.05 1.73e-101 PDB 1F65 "Crystal Structure Of Oxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.40 98.05 1.73e-101 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 99.35 153 100.00 100.00 1.72e-103 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 98.05 98.70 1.10e-101 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.05 98.70 2.82e-102 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 99.35 153 100.00 100.00 1.72e-103 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 99.35 99.35 2.81e-103 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.35 99.35 7.17e-104 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 99.35 100.00 5.22e-104 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 98.70 99.35 2.18e-103 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 99.35 153 100.00 100.00 1.72e-103 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 99.35 153 100.00 100.00 1.72e-103 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 99.35 153 100.00 100.00 1.72e-103 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 99.35 153 100.00 100.00 1.72e-103 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 99.35 100.00 5.22e-104 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 99.35 153 100.00 100.00 1.72e-103 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 98.70 99.35 5.41e-103 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" 100.00 154 98.05 98.70 3.11e-102 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 99.35 153 100.00 100.00 1.72e-103 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 99.35 153 100.00 100.00 1.72e-103 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 99.35 153 100.00 100.00 1.72e-103 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 98.70 98.70 4.44e-103 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 98.70 100.00 1.98e-103 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 2.26e-103 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 2.26e-103 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 2.26e-103 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 3.65e-103 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 3.65e-103 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 99.35 3.65e-103 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 8.35e-104 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 8.35e-104 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 8.35e-104 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 1.94e-103 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 1.94e-103 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 1.94e-103 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 98.05 98.70 4.36e-102 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 99.35 2.18e-103 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 9.65e-103 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 5.97e-103 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 5.97e-103 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 99.35 3.53e-103 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 99.35 4.80e-103 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 99.35 4.80e-103 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 99.35 153 100.00 100.00 1.72e-103 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 98.70 99.35 4.80e-103 PDB 1MYZ "Co Complex Of Myoglobin Mb-yqr At Rt Solved From Laue Data." 100.00 154 97.40 98.05 1.73e-101 PDB 1MZ0 "Structure Of Myoglobin Mb-yqr 316 Ns After Photolysis Of Carbon Monoxide Solved From Laue Data At Rt" 100.00 154 97.40 98.05 1.73e-101 PDB 1N9F "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.40 98.05 1.73e-101 PDB 1N9H "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.40 98.05 1.73e-101 PDB 1N9I "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.40 98.05 1.73e-101 PDB 1N9X "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.40 98.05 1.73e-101 PDB 1NAZ "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.40 98.05 1.73e-101 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 98.05 98.70 4.45e-102 PDB 1OBM "Recombinant Sperm Whale Myoglobin 29f64Q68F122N MUTANT (Met)" 100.00 154 97.40 98.05 7.69e-102 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 98.05 98.70 2.73e-101 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 98.05 98.70 2.95e-101 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 99.35 153 100.00 100.00 1.72e-103 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 99.35 153 100.00 100.00 1.72e-103 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 99.35 100.00 5.22e-104 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 99.35 153 100.00 100.00 1.72e-103 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 99.35 153 100.00 100.00 1.72e-103 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.35 99.35 7.17e-104 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 1.44e-104 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.35 99.35 7.17e-104 PDB 1VXA "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXB "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXC "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXD "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXE "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXF "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXG "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1VXH "Native Sperm Whale Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 99.35 153 99.35 99.35 2.16e-102 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 99.35 153 100.00 100.00 1.72e-103 PDB 1YOH "Cobalt Myoglobin (Met)" 99.35 153 100.00 100.00 1.72e-103 PDB 1YOI "Cobalt Myoglobin (Oxy)" 99.35 153 100.00 100.00 1.72e-103 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 99.35 153 98.69 99.35 5.78e-102 PDB 2BLI "L29w Mb Deoxy" 99.35 153 98.69 99.35 5.78e-102 PDB 2BLJ "Structure Of L29w Mbco" 99.35 153 98.69 99.35 5.78e-102 PDB 2BW9 "Laue Structure Of L29w Mbco" 99.35 153 98.69 99.35 5.78e-102 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 99.35 153 98.69 99.35 5.78e-102 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 99.35 153 100.00 100.00 1.72e-103 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 99.35 153 100.00 100.00 1.72e-103 PDB 2E2Y "Crystal Structure Of F43wH64DV68I MYOGLOBIN" 100.00 154 97.40 99.35 1.12e-101 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 1.44e-104 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 100.00 100.00 1.44e-104 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 99.35 99.35 7.17e-104 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 99.35 153 100.00 100.00 1.72e-103 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 99.35 153 100.00 100.00 1.72e-103 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 99.35 153 99.35 99.35 3.58e-102 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 99.35 153 99.35 99.35 3.58e-102 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 98.70 99.35 2.18e-103 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 98.70 99.35 2.18e-103 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 98.70 99.35 2.18e-103 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 98.70 99.35 2.18e-103 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 98.70 99.35 2.18e-103 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 98.70 99.35 2.18e-103 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 98.70 99.35 2.18e-103 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 98.70 99.35 2.18e-103 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 98.70 99.35 2.18e-103 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 1.44e-104 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 98.70 153 100.00 100.00 8.74e-103 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 99.35 100.00 5.22e-104 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 9.65e-103 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 9.65e-103 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 1.11e-102 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 1.11e-102 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 1.11e-102 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 3.73e-103 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 3.73e-103 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 3.73e-103 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 5.97e-103 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 99.35 1.04e-102 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 5.22e-104 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 5.22e-104 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 5.22e-104 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.35 153 100.00 100.00 1.72e-103 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.35 153 100.00 100.00 1.72e-103 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.35 153 100.00 100.00 1.72e-103 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 99.35 153 100.00 100.00 1.72e-103 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.35 153 100.00 100.00 1.72e-103 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 98.70 99.35 8.65e-103 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 98.70 99.35 1.01e-102 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 98.70 100.00 4.96e-103 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 98.70 99.35 8.65e-103 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 99.35 2.18e-103 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 99.35 2.18e-103 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 99.35 2.18e-103 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 100.00 1.21e-103 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 100.00 100.00 1.44e-104 PDB 2W6X "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqrf In Complex With Xenon" 100.00 154 97.40 97.40 3.36e-101 PDB 2W6Y "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqr In Complex With Xenon" 100.00 154 98.05 98.05 6.67e-102 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 99.35 153 100.00 100.00 1.72e-103 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 99.35 99.35 1.18e-103 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 99.35 100.00 5.22e-104 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 99.35 153 100.00 100.00 1.72e-103 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 99.35 153 100.00 100.00 1.72e-103 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 99.35 153 100.00 100.00 1.72e-103 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 99.35 153 100.00 100.00 1.72e-103 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 99.35 153 100.00 100.00 1.72e-103 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 99.35 153 100.00 100.00 1.72e-103 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 98.05 98.70 1.02e-101 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 98.05 98.70 1.02e-101 PDB 3K9Z "Rational Design Of A Structural And Functional Nitric Oxide Reductase" 99.35 153 98.04 98.04 5.88e-100 PDB 3M38 "The Roles Of Glutamates And Metal Ions In A Rationally Designed Nitric Oxide Reductase Based On Myoglobin: I107e Febmb (No Meta" 99.35 153 97.39 97.39 7.49e-99 PDB 3M39 "The Roles Of Glutamates And Metal Ions In A Rationally Desig Oxide Reductase Based On Myoglobin: Fe(Ii)-I107e Febmb (Fe( Bindin" 99.35 153 97.39 97.39 7.49e-99 PDB 3M3A "The Roles Of Glutamates And Metal Ions In A Rationally Desig Oxide Reductase Based On Myoglobin: Cu(Ii)-I107e Febmb (Cu( Bindin" 99.35 153 97.39 97.39 7.49e-99 PDB 3M3B "The Roles Of Glutamates And Metal Ions In A Rationally Desig Oxide Reductase Based On Myoglobin: Zn(Ii)-I107e Febmb (Zn( Bindin" 99.35 153 97.39 97.39 7.49e-99 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" 99.35 153 98.69 98.69 3.71e-101 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 98.70 99.35 1.54e-102 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 99.35 153 99.35 99.35 1.37e-102 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 98.70 99.35 1.54e-102 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 99.35 99.35 3.90e-103 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 100.00 100.00 1.44e-104 PDB 4FWX "Aquoferric F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin)" 99.35 153 98.04 98.69 1.39e-100 PDB 4FWY "F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin) With Copper Bound" 99.35 153 98.04 98.69 1.39e-100 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 99.35 153 98.69 98.69 7.21e-101 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 99.35 99.35 1.37e-103 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 99.35 99.35 1.37e-103 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 99.35 99.35 3.77e-103 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 98.70 99.35 9.14e-103 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 99.35 153 100.00 100.00 1.72e-103 PDB 4MXK "X-ray Structure Of Fe(ii)-znpixfebmb1" 99.35 153 98.04 98.04 5.88e-100 PDB 4MXL "X-ray Structure Of Znpfebmb1" 99.35 153 98.04 98.04 5.88e-100 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 100.00 100.00 1.44e-104 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 100.00 100.00 1.44e-104 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 99.35 153 99.35 99.35 5.01e-103 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.35 99.35 1.18e-103 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 100.00 100.00 1.44e-104 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 99.35 99.35 2.54e-103 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 98.70 98.70 4.60e-102 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 99.35 99.35 3.94e-103 PDB 4QAU "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 4.10e-104 PDB 4TYX "Structure Of Aquoferric Sperm Whale Myoglobin L29h/f33y/f43h/s92a Mutant" 99.35 153 97.39 98.69 4.52e-100 PDB 5C6Y "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" 100.00 154 98.70 99.35 9.14e-103 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 99.35 153 100.00 100.00 1.72e-103 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 1.44e-104 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 99.35 100.00 5.22e-104 PRF 742482A myoglobin 99.35 153 99.35 100.00 5.34e-103 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 1.44e-104 SP P02185 "RecName: Full=Myoglobin" 100.00 154 100.00 100.00 1.44e-104 stop_ save_ ############# # Ligands # ############# save_PP9 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'PROTOPORPHYRIN IX' _BMRB_code PP9 _PDB_code PP9 _Molecular_mass 562.658 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HNA HNA H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB HAB H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HNC HNC H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC HAC H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CHA C1A ? ? DOUB CHA C4D ? ? SING CHA HHA ? ? SING CHB C4A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING CHC C4B ? ? DOUB CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING NA HNA ? ? DOUB C1A C2A ? ? SING C2A C3A ? ? SING C2A CAA ? ? DOUB C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? SING NB C1B ? ? DOUB NB C4B ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING NC C1C ? ? SING NC C4C ? ? SING NC HNC ? ? SING C1C C2C ? ? DOUB C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? DOUB ND C1D ? ? SING ND C4D ? ? SING C1D C2D ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_CMO _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CARBON MONOXIDE' _BMRB_code CMO _PDB_code CMO _Molecular_mass 28.010 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . -1 . ? O O O . 1 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name TRIP C O ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apoMb '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_type _Vector_name _Details $apoMb 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pCKR102 native stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MbCO 1 mM 0.5 1.5 '[U-90% 15N; U-95% 13C]' 'potassium phosphate' 0.05 M . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################# # Purity of the molecules # ############################# save_mol_purity_list _Saveframe_category sample_mol_purity _Sample_label $sample_one loop_ _Mol_label _Mol_purity_value _Mol_purity_value_units _Mol_purity_measurement_method $apoMb 98 % 'Mass spectrometric analysis' stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 2.05 loop_ _Vendor _Address _Electronic_address 'Hare Research' . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX500 _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_experimental_conditions_MbCO _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 . n/a temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_MbCO _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 TMS C 13 'methyl carbons' ppm 0.00 . indirect . . . $entry_citation $entry_citation H2O H 1 protons ppm 4.6516 . . . . . $entry_citation $entry_citation 'liquid ammonia' N 15 nitrogen ppm 0.00 . indirect . . . $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_apoMb _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_one stop_ loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $experimental_conditions_MbCO _Chem_shift_reference_set_label $chemical_shift_reference_MbCO _Mol_system_component_name 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 . 2 VAL CA C 60.3 . 1 2 . 2 VAL CB C 32.6 . 1 3 . 3 LEU N N 126.5 . 1 4 . 3 LEU H H 8.33 . 1 5 . 3 LEU CA C 54.4 . 1 6 . 3 LEU CB C 40.4 . 1 7 . 4 SER N N 118.00 . 1 8 . 4 SER H H 9.14 . 1 9 . 4 SER CA C 55.3 . 1 10 . 4 SER CB C 64.3 . 1 11 . 5 GLU N N 121.7 . 1 12 . 5 GLU H H 9.13 . 1 13 . 5 GLU CA C 58.3 . 1 14 . 5 GLU CB C 27.1 . 1 15 . 6 GLY N N 105.9 . 1 16 . 6 GLY H H 8.66 . 1 17 . 6 GLY CA C 45.00 . 1 18 . 7 GLU N N 123.1 . 1 19 . 7 GLU H H 7.8 . 1 20 . 7 GLU CA C 58.1 . 1 21 . 7 GLU CB C 27.9 . 1 22 . 8 TRP N N 119.1 . 1 23 . 8 TRP H H 8.55 . 1 24 . 8 TRP CA C 58.9 . 1 25 . 9 GLN N N 117.2 . 1 26 . 9 GLN H H 8.53 . 1 27 . 9 GLN CA C 57.6 . 1 28 . 9 GLN CB C 26.1 . 1 29 . 10 LEU N N 120.7 . 1 30 . 10 LEU H H 7.63 . 1 31 . 10 LEU CA C 56.6 . 1 32 . 11 VAL N N 120.4 . 1 33 . 11 VAL H H 8.04 . 1 34 . 12 LEU N N 118.2 . 1 35 . 12 LEU H H 8.82 . 1 36 . 12 LEU CA C 56.1 . 1 37 . 12 LEU CB C 38.7 . 1 38 . 13 HIS N N 121.1 . 1 39 . 13 HIS H H 8.61 . 1 40 . 13 HIS CA C 57.7 . 1 41 . 13 HIS CB C 26.9 . 1 42 . 14 VAL N N 118.9 . 1 43 . 14 VAL H H 7.93 . 1 44 . 14 VAL CA C 64.3 . 1 45 . 14 VAL CB C 29.6 . 1 46 . 15 TRP N N 122.5 . 1 47 . 15 TRP H H 9.03 . 1 48 . 15 TRP CA C 58.8 . 1 49 . 15 TRP CB C 29.8 . 1 50 . 16 ALA N N 118.8 . 1 51 . 16 ALA H H 7.63 . 1 52 . 16 ALA CA C 53.4 . 1 53 . 16 ALA CB C 16.00 . 1 54 . 17 LYS N N 115.3 . 1 55 . 17 LYS H H 7.17 . 1 56 . 17 LYS CA C 56.2 . 1 57 . 17 LYS CB C 28.9 . 1 58 . 18 VAL N N 121.5 . 1 59 . 18 VAL H H 6.72 . 1 60 . 18 VAL CA C 63.4 . 1 61 . 18 VAL CB C 27.7 . 1 62 . 19 GLU N N 114.7 . 1 63 . 19 GLU H H 7.43 . 1 64 . 19 GLU CA C 57.00 . 1 65 . 19 GLU CB C 27.7 . 1 66 . 20 ALA N N 119.8 . 1 67 . 20 ALA H H 6.84 . 1 68 . 20 ALA CA C 51.7 . 1 69 . 20 ALA CB C 16.6 . 1 70 . 21 ASP N N 115.7 . 1 71 . 21 ASP H H 7.55 . 1 72 . 21 ASP CA C 51.1 . 1 73 . 22 VAL N N 130.4 . 1 74 . 22 VAL H H 8.72 . 1 75 . 22 VAL CA C 65.5 . 1 76 . 22 VAL CB C 30.2 . 1 77 . 23 ALA N N 122.5 . 1 78 . 23 ALA H H 8.5 . 1 79 . 23 ALA CA C 53.1 . 1 80 . 23 ALA CB C 16.4 . 1 81 . 24 GLY N N 105.6 . 1 82 . 24 GLY H H 8.04 . 1 83 . 24 GLY CA C 45.4 . 1 84 . 25 HIS N N 116.1 . 1 85 . 25 HIS H H 7.54 . 1 86 . 25 HIS CA C 60.7 . 1 87 . 25 HIS CB C 26.8 . 1 88 . 26 GLY N N 107.5 . 1 89 . 26 GLY H H 8.69 . 1 90 . 26 GLY CA C 45.7 . 1 91 . 27 GLN N N 120.5 . 1 92 . 27 GLN H H 7.94 . 1 93 . 27 GLN CA C 57.5 . 1 94 . 27 GLN CB C 28.2 . 1 95 . 28 ASP N N 117.3 . 1 96 . 28 ASP H H 7.45 . 1 97 . 28 ASP CA C 55.6 . 1 98 . 28 ASP CB C 39.3 . 1 99 . 29 ILE N N 120.1 . 1 100 . 29 ILE H H 8.14 . 1 101 . 29 ILE CA C 64.3 . 1 102 . 29 ILE CB C 36.4 . 1 103 . 30 LEU N N 118.4 . 1 104 . 30 LEU H H 7.2 . 1 105 . 30 LEU CA C 55.8 . 1 106 . 30 LEU CB C 37.9 . 1 107 . 31 ILE N N 116.00 . 1 108 . 31 ILE H H 7.85 . 1 109 . 31 ILE CA C 64.8 . 1 110 . 31 ILE CB C 35.5 . 1 111 . 32 ARG N N 118.2 . 1 112 . 32 ARG H H 7.71 . 1 113 . 32 ARG CA C 56.4 . 1 114 . 32 ARG CB C 27.5 . 1 115 . 33 LEU N N 122.8 . 1 116 . 33 LEU H H 7.92 . 1 117 . 33 LEU CA C 57.00 . 1 118 . 33 LEU CB C 40.2 . 1 119 . 34 PHE N N 116.6 . 1 120 . 34 PHE H H 7.92 . 1 121 . 34 PHE CA C 55.00 . 1 122 . 34 PHE CB C 37.7 . 1 123 . 35 LYS N N 116.9 . 1 124 . 35 LYS H H 8.56 . 1 125 . 35 LYS CA C 57.1 . 1 126 . 35 LYS CB C 30.7 . 1 127 . 36 SER N N 113.1 . 1 128 . 36 SER H H 8.14 . 1 129 . 36 SER CA C 59.1 . 1 130 . 36 SER CB C 62.7 . 1 131 . 37 HIS N N 117.3 . 1 132 . 37 HIS H H 8.05 . 1 133 . 37 HIS CA C 51.3 . 1 134 . 38 PRO CA C 64.5 . 1 135 . 38 PRO CB C 30.2 . 1 136 . 39 GLU N N 122.1 . 1 137 . 39 GLU H H 11.04 . 1 138 . 39 GLU CA C 57.4 . 1 139 . 39 GLU CB C 25.7 . 1 140 . 40 THR N N 113.4 . 1 141 . 40 THR H H 8.74 . 1 142 . 40 THR CA C 64.4 . 1 143 . 41 LEU N N 123.6 . 1 144 . 41 LEU H H 7.34 . 1 145 . 41 LEU CA C 55.9 . 1 146 . 41 LEU CB C 40.4 . 1 147 . 42 GLU N N 113.2 . 1 148 . 42 GLU H H 7.24 . 1 149 . 42 GLU CA C 56.4 . 1 150 . 42 GLU CB C 28.1 . 1 151 . 43 LYS N N 113.4 . 1 152 . 43 LYS H H 7.69 . 1 153 . 43 LYS CA C 53.5 . 1 154 . 43 LYS CB C 31.4 . 1 155 . 44 PHE N N 119.1 . 1 156 . 44 PHE H H 8.33 . 1 157 . 44 PHE CA C 54.4 . 1 158 . 44 PHE CB C 38.1 . 1 159 . 45 ASP N N 126.6 . 1 160 . 45 ASP H H 8.82 . 1 161 . 45 ASP CA C 57.00 . 1 162 . 45 ASP CB C 39.3 . 1 163 . 46 ARG N N 114.2 . 1 164 . 46 ARG H H 8.95 . 1 165 . 46 ARG CA C 56.5 . 1 166 . 46 ARG CB C 29.1 . 1 167 . 47 PHE N N 112.8 . 1 168 . 47 PHE H H 7.07 . 1 169 . 47 PHE CA C 53.4 . 1 170 . 47 PHE CB C 38.6 . 1 171 . 48 LYS N N 116.8 . 1 172 . 48 LYS H H 7.57 . 1 173 . 48 LYS CA C 57.3 . 1 174 . 48 LYS CB C 29.8 . 1 175 . 49 HIS CA C 54.6 . 1 176 . 49 HIS CB C 30.00 . 1 177 . 50 LEU N N 124.00 . 1 178 . 50 LEU H H 7.57 . 1 179 . 50 LEU CA C 52.8 . 1 180 . 50 LEU CB C 39.8 . 1 181 . 51 LYS N N 119.5 . 1 182 . 51 LYS H H 8.24 . 1 183 . 51 LYS CA C 55.6 . 1 184 . 51 LYS CB C 32.8 . 1 185 . 52 THR N N 107.00 . 1 186 . 52 THR H H 7.57 . 1 187 . 52 THR CA C 57.00 . 1 188 . 53 GLU CA C 58.3 . 1 189 . 53 GLU CB C 27.7 . 1 190 . 54 ALA N N 120.4 . 1 191 . 54 ALA H H 8.33 . 1 192 . 54 ALA CA C 53.6 . 1 193 . 54 ALA CB C 16.1 . 1 194 . 55 GLU N N 118.00 . 1 195 . 55 GLU H H 7.67 . 1 196 . 55 GLU CA C 57.6 . 1 197 . 55 GLU CB C 28.4 . 1 198 . 56 MET N N 118.5 . 1 199 . 56 MET H H 8.04 . 1 200 . 56 MET CA C 58.4 . 1 201 . 56 MET CB C 31.1 . 1 202 . 57 LYS N N 118.7 . 1 203 . 57 LYS H H 8.5 . 1 204 . 57 LYS CA C 56.9 . 1 205 . 57 LYS CB C 30.6 . 1 206 . 58 ALA N N 117.8 . 1 207 . 58 ALA H H 7.08 . 1 208 . 58 ALA CA C 50.4 . 1 209 . 58 ALA CB C 17.3 . 1 210 . 59 SER N N 111.2 . 1 211 . 59 SER H H 6.81 . 1 212 . 59 SER CA C 55.9 . 1 213 . 59 SER CB C 60.8 . 1 214 . 60 GLU N N 134.5 . 1 215 . 60 GLU H H 9.14 . 1 216 . 60 GLU CA C 57.3 . 1 217 . 60 GLU CB C 27.6 . 1 218 . 61 ASP N N 119.4 . 1 219 . 61 ASP H H 8.34 . 1 220 . 61 ASP CA C 55.8 . 1 221 . 61 ASP CB C 39.5 . 1 222 . 62 LEU N N 124.1 . 1 223 . 62 LEU H H 8.08 . 1 224 . 62 LEU CA C 56.7 . 1 225 . 62 LEU CB C 38.9 . 1 226 . 63 LYS N N 120.1 . 1 227 . 63 LYS H H 7.12 . 1 228 . 63 LYS CA C 58.3 . 1 229 . 63 LYS CB C 30.6 . 1 230 . 64 LYS N N 117.8 . 1 231 . 64 LYS H H 8.13 . 1 232 . 64 LYS CA C 58.2 . 1 233 . 64 LYS CB C 30.5 . 1 234 . 65 HIS N N 120.2 . 1 235 . 65 HIS H H 7.96 . 1 236 . 65 HIS CA C 58.00 . 1 237 . 65 HIS CB C 28.7 . 1 238 . 66 GLY N N 106.00 . 1 239 . 66 GLY H H 8.04 . 1 240 . 66 GLY CA C 45.4 . 1 241 . 67 VAL N N 120.8 . 1 242 . 67 VAL H H 7.35 . 1 243 . 67 VAL CA C 65.8 . 1 244 . 67 VAL CB C 29.6 . 1 245 . 68 THR N N 123.4 . 1 246 . 68 THR H H 7.9 . 1 247 . 68 THR CA C 65.6 . 1 248 . 69 VAL N N 121.3 . 1 249 . 69 VAL H H 7.65 . 1 250 . 69 VAL CA C 64.8 . 1 251 . 69 VAL CB C 29.6 . 1 252 . 70 LEU N N 116.6 . 1 253 . 70 LEU H H 7.9 . 1 254 . 70 LEU CA C 56.6 . 1 255 . 70 LEU CB C 39.2 . 1 256 . 71 THR N N 118.00 . 1 257 . 71 THR H H 8.83 . 1 258 . 71 THR CA C 65.8 . 1 259 . 72 ALA N N 125.00 . 1 260 . 72 ALA H H 7.78 . 1 261 . 72 ALA CA C 53.8 . 1 262 . 72 ALA CB C 17.5 . 1 263 . 73 LEU N N 118.3 . 1 264 . 73 LEU H H 8.69 . 1 265 . 73 LEU CA C 56.2 . 1 266 . 73 LEU CB C 40.6 . 1 267 . 74 GLY N N 107.5 . 1 268 . 74 GLY H H 9.02 . 1 269 . 74 GLY CA C 46.2 . 1 270 . 75 ALA N N 121.6 . 1 271 . 75 ALA H H 7.56 . 1 272 . 75 ALA CA C 53.1 . 1 273 . 75 ALA CB C 16.2 . 1 274 . 76 ILE N N 116.7 . 1 275 . 76 ILE H H 7.27 . 1 276 . 76 ILE CA C 63.9 . 1 277 . 76 ILE CB C 37.3 . 1 278 . 77 LEU N N 122.1 . 1 279 . 77 LEU H H 8.61 . 1 280 . 77 LEU CA C 56.9 . 1 281 . 77 LEU CB C 39.4 . 1 282 . 78 LYS N N 113.6 . 1 283 . 78 LYS H H 7.86 . 1 284 . 78 LYS CA C 57.4 . 1 285 . 78 LYS CB C 31.1 . 1 286 . 79 LYS N N 115.1 . 1 287 . 79 LYS H H 7.29 . 1 288 . 79 LYS CA C 52.7 . 1 289 . 79 LYS CB C 28.6 . 1 290 . 80 LYS N N 120.4 . 1 291 . 80 LYS H H 7.95 . 1 292 . 80 LYS CA C 54.4 . 1 293 . 80 LYS CB C 28.00 . 1 294 . 81 GLY N N 106.6 . 1 295 . 81 GLY H H 9.26 . 1 296 . 81 GLY CA C 42.7 . 1 297 . 82 HIS N N 122.5 . 1 298 . 82 HIS H H 7.38 . 1 299 . 82 HIS CA C 52.00 . 1 300 . 82 HIS CB C 24.7 . 1 301 . 83 HIS N N 114.4 . 1 302 . 83 HIS H H 6.86 . 1 303 . 83 HIS CA C 52.8 . 1 304 . 83 HIS CB C 31.5 . 1 305 . 84 GLU N N 124.2 . 1 306 . 84 GLU H H 8.79 . 1 307 . 84 GLU CA C 60.00 . 1 308 . 84 GLU CB C 27.6 . 1 309 . 85 ALA N N 118.2 . 1 310 . 85 ALA H H 8.51 . 1 311 . 85 ALA CA C 53.3 . 1 312 . 85 ALA CB C 16.3 . 1 313 . 89 PRO CA C 64.1 . 1 314 . 89 PRO CB C 28.8 . 1 315 . 90 LEU N N 119.8 . 1 316 . 90 LEU H H 6.34 . 1 317 . 90 LEU CA C 55.2 . 1 318 . 90 LEU CB C 40.7 . 1 319 . 91 ALA N N 121.3 . 1 320 . 91 ALA H H 8.36 . 1 321 . 91 ALA CA C 53.1 . 1 322 . 91 ALA CB C 17.00 . 1 323 . 92 GLN N N 114.8 . 1 324 . 92 GLN H H 7.88 . 1 325 . 92 GLN CA C 57.9 . 1 326 . 92 GLN CB C 26.2 . 1 327 . 93 SER N N 115.4 . 1 328 . 93 SER H H 7.96 . 1 329 . 93 SER CA C 65.8 . 1 330 . 93 SER CB C 67.2 . 1 331 . 94 HIS N N 121.6 . 1 332 . 94 HIS H H 7.68 . 1 333 . 94 HIS CA C 60.00 . 1 334 . 94 HIS CB C 23.4 . 1 335 . 95 ALA N N 119.7 . 1 336 . 95 ALA H H 7.79 . 1 337 . 95 ALA CA C 52.6 . 1 338 . 95 ALA CB C 16.9 . 1 339 . 96 THR N N 103.4 . 1 340 . 96 THR H H 6.89 . 1 341 . 96 THR CA C 61.7 . 1 342 . 96 THR CB C 68.8 . 1 343 . 97 LYS N N 121.1 . 1 344 . 97 LYS H H 6.96 . 1 345 . 97 LYS CA C 55.4 . 1 346 . 97 LYS CB C 30.8 . 1 347 . 98 HIS N N 114.1 . 1 348 . 98 HIS H H 7.15 . 1 349 . 98 HIS CA C 53.1 . 1 350 . 98 HIS CB C 27.2 . 1 351 . 99 LYS N N 113.2 . 1 352 . 99 LYS H H 6.21 . 1 353 . 99 LYS CA C 55.1 . 1 354 . 99 LYS CB C 26.9 . 1 355 . 100 ILE N N 120.3 . 1 356 . 100 ILE H H 7.92 . 1 357 . 101 PRO CA C 60.9 . 1 358 . 101 PRO CB C 30.4 . 1 359 . 102 ILE N N 124.1 . 1 360 . 102 ILE H H 9.06 . 1 361 . 102 ILE CA C 61.1 . 1 362 . 102 ILE CB C 34.4 . 1 363 . 103 LYS N N 119.8 . 1 364 . 103 LYS H H 8.69 . 1 365 . 103 LYS CA C 56.8 . 1 366 . 103 LYS CB C 30.2 . 1 367 . 104 TYR N N 115.8 . 1 368 . 104 TYR H H 7.68 . 1 369 . 104 TYR CB C 40.6 . 1 370 . 105 LEU N N 120.4 . 1 371 . 105 LEU H H 8.06 . 1 372 . 105 LEU CA C 56.00 . 1 373 . 105 LEU CB C 39.5 . 1 374 . 106 GLU N N 124.7 . 1 375 . 106 GLU H H 8.14 . 1 376 . 106 GLU CA C 59.00 . 1 377 . 106 GLU CB C 26.5 . 1 378 . 107 PHE N N 119.00 . 1 379 . 107 PHE H H 7.82 . 1 380 . 107 PHE CA C 55.5 . 1 381 . 107 PHE CB C 35.5 . 1 382 . 108 ILE N N 119.4 . 1 383 . 108 ILE H H 8.74 . 1 384 . 108 ILE CA C 64.2 . 1 385 . 108 ILE CB C 36.1 . 1 386 . 109 SER N N 121.1 . 1 387 . 109 SER H H 7.87 . 1 388 . 109 SER CA C 62.1 . 1 389 . 110 GLU N N 121.1 . 1 390 . 110 GLU H H 7.91 . 1 391 . 110 GLU CA C 57.9 . 1 392 . 111 ALA N N 122.6 . 1 393 . 111 ALA H H 7.77 . 1 394 . 111 ALA CA C 53.9 . 1 395 . 111 ALA CB C 16.3 . 1 396 . 112 ILE N N 118.00 . 1 397 . 112 ILE H H 8.41 . 1 398 . 112 ILE CA C 64.9 . 1 399 . 112 ILE CB C 36.5 . 1 400 . 113 ILE N N 118.6 . 1 401 . 113 ILE H H 7.88 . 1 402 . 113 ILE CA C 62.8 . 1 403 . 114 HIS N N 118.00 . 1 404 . 114 HIS H H 8.48 . 1 405 . 114 HIS CA C 58.7 . 1 406 . 114 HIS CB C 28.3 . 1 407 . 115 VAL N N 120.5 . 1 408 . 115 VAL H H 8.41 . 1 409 . 115 VAL CA C 65.00 . 1 410 . 115 VAL CB C 29.7 . 1 411 . 116 LEU N N 120.7 . 1 412 . 116 LEU H H 8.41 . 1 413 . 116 LEU CA C 57.4 . 1 414 . 116 LEU CB C 37.8 . 1 415 . 117 HIS N N 115.8 . 1 416 . 117 HIS H H 8.12 . 1 417 . 117 HIS CA C 57.8 . 1 418 . 118 SER N N 112.9 . 1 419 . 118 SER H H 8.03 . 1 420 . 118 SER CA C 59.5 . 1 421 . 118 SER CB C 61.9 . 1 422 . 119 ARG N N 115.8 . 1 423 . 119 ARG H H 8.12 . 1 424 . 119 ARG CA C 55.8 . 1 425 . 119 ARG CB C 29.7 . 1 426 . 120 HIS N N 114.5 . 1 427 . 120 HIS H H 7.36 . 1 428 . 120 HIS CA C 50.9 . 1 429 . 120 HIS CB C 26.8 . 1 430 . 121 PRO CA C 64.3 . 1 431 . 121 PRO CB C 28.8 . 1 432 . 122 GLY N N 107.00 . 1 433 . 122 GLY H H 8.6 . 1 434 . 122 GLY CA C 44.2 . 1 435 . 123 ASP N N 117.8 . 1 436 . 123 ASP H H 7.59 . 1 437 . 123 ASP CA C 52.5 . 1 438 . 123 ASP CB C 41.4 . 1 439 . 124 PHE N N 123.5 . 1 440 . 124 PHE H H 8.08 . 1 441 . 124 PHE CA C 55.00 . 1 442 . 125 GLY N N 110.00 . 1 443 . 125 GLY H H 8.01 . 1 444 . 125 GLY CA C 42.3 . 1 445 . 126 ALA N N 121.3 . 1 446 . 126 ALA H H 8.52 . 1 447 . 126 ALA CA C 54.3 . 1 448 . 126 ALA CB C 16.6 . 1 449 . 127 ASP N N 117.6 . 1 450 . 127 ASP H H 8.6 . 1 451 . 127 ASP CA C 54.9 . 1 452 . 127 ASP CB C 37.2 . 1 453 . 128 ALA N N 126.8 . 1 454 . 128 ALA H H 8.24 . 1 455 . 128 ALA CA C 53.4 . 1 456 . 128 ALA CB C 17.1 . 1 457 . 129 GLN N N 118.7 . 1 458 . 129 GLN H H 8.55 . 1 459 . 129 GLN CA C 57.6 . 1 460 . 130 GLY N N 107.3 . 1 461 . 130 GLY H H 8.08 . 1 462 . 130 GLY CA C 45.3 . 1 463 . 131 ALA N N 124.8 . 1 464 . 131 ALA H H 7.78 . 1 465 . 131 ALA CA C 53.7 . 1 466 . 132 MET N N 116.8 . 1 467 . 132 MET H H 8.55 . 1 468 . 132 MET CA C 55.7 . 1 469 . 132 MET CB C 29.3 . 1 470 . 133 ASN N N 117.8 . 1 471 . 133 ASN H H 8.76 . 1 472 . 133 ASN CA C 55.2 . 1 473 . 133 ASN CB C 36.9 . 1 474 . 134 LYS N N 120.3 . 1 475 . 134 LYS H H 7.94 . 1 476 . 134 LYS CA C 58.5 . 1 477 . 134 LYS CB C 31.1 . 1 478 . 135 ALA N N 123.1 . 1 479 . 135 ALA H H 8.41 . 1 480 . 135 ALA CA C 53.8 . 1 481 . 135 ALA CB C 16.3 . 1 482 . 136 LEU N N 116.4 . 1 483 . 136 LEU H H 8.49 . 1 484 . 136 LEU CA C 55.8 . 1 485 . 136 LEU CB C 38.9 . 1 486 . 137 GLU N N 123.5 . 1 487 . 137 GLU H H 8.48 . 1 488 . 137 GLU CA C 58.6 . 1 489 . 137 GLU CB C 27.5 . 1 490 . 138 LEU N N 122.4 . 1 491 . 138 LEU H H 8.32 . 1 492 . 138 LEU CA C 57.1 . 1 493 . 139 PHE N N 118.7 . 1 494 . 139 PHE H H 7.87 . 1 495 . 139 PHE CA C 59.4 . 1 496 . 139 PHE CB C 36.9 . 1 497 . 140 ARG N N 117.2 . 1 498 . 140 ARG H H 8.47 . 1 499 . 140 ARG CA C 58.9 . 1 500 . 140 ARG CB C 28.7 . 1 501 . 141 LYS N N 121.9 . 1 502 . 141 LYS H H 8.78 . 1 503 . 141 LYS CA C 58.00 . 1 504 . 141 LYS CB C 30.3 . 1 505 . 142 ASP N N 122.4 . 1 506 . 142 ASP H H 8.46 . 1 507 . 142 ASP CA C 55.4 . 1 508 . 142 ASP CB C 37.9 . 1 509 . 143 ILE N N 123.00 . 1 510 . 143 ILE H H 8.3 . 1 511 . 143 ILE CA C 63.2 . 1 512 . 143 ILE CB C 33.9 . 1 513 . 144 ALA N N 123.5 . 1 514 . 144 ALA H H 8.17 . 1 515 . 144 ALA CA C 53.6 . 1 516 . 144 ALA CB C 15.8 . 1 517 . 145 ALA N N 120.9 . 1 518 . 145 ALA H H 7.68 . 1 519 . 145 ALA CA C 53.4 . 1 520 . 146 LYS N N 119.3 . 1 521 . 146 LYS H H 7.51 . 1 522 . 146 LYS CA C 56.00 . 1 523 . 146 LYS CB C 29.6 . 1 524 . 147 TYR N N 121.7 . 1 525 . 147 TYR H H 9.03 . 1 526 . 147 TYR CA C 58.7 . 1 527 . 147 TYR CB C 34.9 . 1 528 . 148 LYS N N 118.00 . 1 529 . 148 LYS H H 7.65 . 1 530 . 148 LYS CA C 57.9 . 1 531 . 148 LYS CB C 30.2 . 1 532 . 149 GLU N N 121.2 . 1 533 . 149 GLU H H 7.64 . 1 534 . 149 GLU CA C 57.5 . 1 535 . 149 GLU CB C 28.1 . 1 536 . 150 LEU N N 117.4 . 1 537 . 150 LEU H H 7.7 . 1 538 . 150 LEU CA C 53.4 . 1 539 . 150 LEU CB C 40.8 . 1 540 . 151 GLY N N 107.4 . 1 541 . 151 GLY H H 7.75 . 1 542 . 151 GLY CA C 43.5 . 1 543 . 152 TYR N N 121.6 . 1 544 . 152 TYR H H 7.97 . 1 545 . 152 TYR CA C 55.1 . 1 546 . 152 TYR CB C 37.5 . 1 547 . 153 GLN N N 125.3 . 1 548 . 153 GLN H H 8.18 . 1 549 . 153 GLN CA C 54.3 . 1 550 . 153 GLN CB C 27.2 . 1 551 . 154 GLY N N 113.4 . 1 552 . 154 GLY H H 6.54 . 1 553 . 154 GLY CA C 44.7 . 1 stop_ save_