data_16501 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; (1-153)Apomyoglobin ; _BMRB_accession_number 16501 _BMRB_flat_file_name bmr16501.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 (1-153)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" 141 "13C chemical shifts" 404 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16499 (1-77)Apomyoglobin 16500 (1-119)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 '(1-153)Apomyoglobin pH 2.40 (ref. DSS)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label (1-153)Apomyoglobin $1-153_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_1-153_Apomyoglobin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common (1-153)Apomyoglobin _Molecular_mass . _Mol_thiol_state 'not present' _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 2015-11-18 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 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 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 4061 apomyoglobin 100.00 154 100.00 100.00 1.44e-104 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $1-153_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 $1-153_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 $1-153_Apomyoglobin 304 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 (1-153)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 178.483 . 1 2 0 1 MET CA C 55.161 . 1 3 1 2 VAL H H 8.614 . 1 4 1 2 VAL C C 175.448 . 1 5 1 2 VAL CA C 62.302 . 1 6 1 2 VAL CB C 32.984 . 1 7 1 2 VAL N N 123.749 . 1 8 2 3 LEU H H 8.450 . 1 9 2 3 LEU C C 177.021 . 1 10 2 3 LEU CA C 54.896 . 1 11 2 3 LEU CB C 42.651 . 1 12 2 3 LEU N N 126.899 . 1 13 3 4 SER H H 8.284 . 1 14 3 4 SER C C 174.659 . 1 15 3 4 SER CA C 57.928 . 1 16 3 4 SER CB C 63.923 . 1 17 3 4 SER N N 117.181 . 1 18 4 5 GLU H H 8.584 . 1 19 4 5 GLU C C 177.064 . 1 20 4 5 GLU CA C 57.058 . 1 21 4 5 GLU CB C 28.630 . 1 22 4 5 GLU N N 122.128 . 1 23 5 6 GLY H H 8.489 . 1 24 5 6 GLY CA C 45.981 . 1 25 5 6 GLY N N 108.470 . 1 26 6 7 GLU H H 8.139 . 1 27 6 7 GLU C C 176.294 . 1 28 6 7 GLU CA C 56.949 . 1 29 6 7 GLU CB C 28.786 . 1 30 6 7 GLU N N 120.317 . 1 31 7 8 TRP H H 8.188 . 1 32 7 8 TRP CA C 57.891 . 1 33 7 8 TRP CB C 29.372 . 1 34 7 8 TRP N N 120.828 . 1 35 8 9 GLN C C 176.392 . 1 36 9 10 LEU H H 7.815 . 1 37 9 10 LEU C C 177.879 . 1 38 9 10 LEU CA C 56.537 . 1 39 9 10 LEU N N 121.560 . 1 40 10 11 VAL H H 7.963 . 1 41 10 11 VAL CA C 63.649 . 1 42 10 11 VAL CB C 32.898 . 1 43 10 11 VAL N N 120.403 . 1 44 11 12 LEU C C 177.707 . 1 45 11 12 LEU CA C 55.731 . 1 46 12 13 HIS H H 8.228 . 1 47 12 13 HIS CA C 56.090 . 1 48 12 13 HIS CB C 27.777 . 1 49 12 13 HIS N N 117.750 . 1 50 18 19 GLU C C 175.940 . 1 51 19 20 ALA H H 8.146 . 1 52 19 20 ALA C C 177.723 . 1 53 19 20 ALA CA C 53.303 . 1 54 19 20 ALA CB C 18.985 . 1 55 19 20 ALA N N 124.111 . 1 56 20 21 ASP H H 8.284 . 1 57 20 21 ASP C C 175.507 . 1 58 20 21 ASP CA C 53.358 . 1 59 20 21 ASP CB C 38.056 . 1 60 20 21 ASP N N 117.619 . 1 61 21 22 VAL H H 8.000 . 1 62 21 22 VAL C C 176.000 . 1 63 21 22 VAL CA C 62.627 . 1 64 21 22 VAL CB C 39.102 . 1 65 21 22 VAL N N 119.913 . 1 66 22 23 ALA H H 8.341 . 1 67 22 23 ALA C C 178.298 . 1 68 22 23 ALA CA C 52.801 . 1 69 22 23 ALA CB C 19.139 . 1 70 22 23 ALA N N 127.120 . 1 71 23 24 GLY H H 8.258 . 1 72 23 24 GLY C C 174.331 . 1 73 23 24 GLY CA C 45.613 . 1 74 23 24 GLY N N 107.542 . 1 75 24 25 HIS H H 8.370 . 1 76 24 25 HIS C C 175.047 . 1 77 24 25 HIS CA C 55.491 . 1 78 24 25 HIS CB C 28.992 . 1 79 24 25 HIS N N 117.619 . 1 80 25 26 GLY H H 8.545 . 1 81 25 26 GLY C C 174.261 . 1 82 25 26 GLY CA C 45.831 . 1 83 25 26 GLY N N 109.594 . 1 84 26 27 GLN H H 8.348 . 1 85 26 27 GLN C C 176.016 . 1 86 26 27 GLN CA C 56.417 . 1 87 26 27 GLN CB C 29.643 . 1 88 26 27 GLN N N 119.723 . 1 89 27 28 ASP H H 8.533 . 1 90 27 28 ASP C C 175.502 . 1 91 27 28 ASP CA C 53.748 . 1 92 27 28 ASP CB C 38.198 . 1 93 27 28 ASP N N 119.952 . 1 94 28 29 ILE H H 8.038 . 1 95 28 29 ILE C C 176.148 . 1 96 28 29 ILE CA C 61.888 . 1 97 28 29 ILE CB C 38.651 . 1 98 28 29 ILE N N 120.932 . 1 99 29 30 LEU H H 8.075 . 1 100 29 30 LEU C C 177.334 . 1 101 29 30 LEU CA C 55.826 . 1 102 29 30 LEU N N 124.513 . 1 103 30 31 ILE H H 7.984 . 1 104 30 31 ILE C C 176.169 . 1 105 30 31 ILE CA C 61.856 . 1 106 30 31 ILE CB C 38.961 . 1 107 30 31 ILE N N 121.122 . 1 108 31 32 ARG H H 8.143 . 1 109 31 32 ARG C C 176.427 . 1 110 31 32 ARG CA C 56.418 . 1 111 31 32 ARG CB C 34.580 . 1 112 31 32 ARG N N 124.111 . 1 113 32 33 LEU H H 8.083 . 1 114 32 33 LEU C C 177.247 . 1 115 32 33 LEU CA C 55.477 . 1 116 32 33 LEU CB C 42.296 . 1 117 32 33 LEU N N 122.520 . 1 118 33 34 PHE H H 8.188 . 1 119 33 34 PHE C C 175.851 . 1 120 33 34 PHE CA C 57.928 . 1 121 33 34 PHE N N 120.416 . 1 122 34 35 LYS H H 8.156 . 1 123 34 35 LYS C C 176.331 . 1 124 34 35 LYS CA C 56.532 . 1 125 34 35 LYS CB C 33.013 . 1 126 34 35 LYS N N 122.207 . 1 127 35 36 SER H H 8.149 . 1 128 35 36 SER C C 173.887 . 1 129 35 36 SER CA C 58.440 . 1 130 35 36 SER CB C 63.887 . 1 131 35 36 SER N N 116.083 . 1 132 36 37 HIS H H 8.455 . 1 133 36 37 HIS CA C 53.544 . 1 134 36 37 HIS CB C 33.740 . 1 135 36 37 HIS N N 120.056 . 1 136 37 38 PRO C C 177.167 . 1 137 37 38 PRO CA C 63.552 . 1 138 37 38 PRO CB C 32.119 . 1 139 38 39 GLU H H 8.654 . 1 140 38 39 GLU C C 176.472 . 1 141 38 39 GLU CA C 56.266 . 1 142 38 39 GLU CB C 29.006 . 1 143 38 39 GLU N N 120.984 . 1 144 39 40 THR H H 8.229 . 1 145 39 40 THR C C 174.506 . 1 146 39 40 THR CA C 62.401 . 1 147 39 40 THR CB C 69.677 . 1 148 39 40 THR N N 116.227 . 1 149 40 41 LEU H H 8.226 . 1 150 40 41 LEU C C 177.353 . 1 151 40 41 LEU CA C 55.580 . 1 152 40 41 LEU CB C 42.390 . 1 153 40 41 LEU N N 124.617 . 1 154 41 42 GLU H H 8.272 . 1 155 41 42 GLU C C 176.286 . 1 156 41 42 GLU CA C 56.346 . 1 157 41 42 GLU N N 121.109 . 1 158 42 43 LYS H H 8.193 . 1 159 42 43 LYS C C 176.499 . 1 160 42 43 LYS CA C 56.893 . 1 161 42 43 LYS CB C 32.952 . 1 162 42 43 LYS N N 121.814 . 1 163 43 44 PHE H H 8.165 . 1 164 43 44 PHE C C 175.631 . 1 165 43 44 PHE CA C 58.044 . 1 166 43 44 PHE CB C 39.672 . 1 167 43 44 PHE N N 120.618 . 1 168 44 45 ASP H H 8.373 . 1 169 44 45 ASP C C 175.612 . 1 170 44 45 ASP CA C 53.403 . 1 171 44 45 ASP CB C 38.620 . 1 172 44 45 ASP N N 121.082 . 1 173 45 46 ARG H H 8.139 . 1 174 45 46 ARG C C 176.323 . 1 175 45 46 ARG CA C 57.134 . 1 176 45 46 ARG CB C 30.392 . 1 177 45 46 ARG N N 121.775 . 1 178 46 47 PHE H H 7.998 . 1 179 46 47 PHE C C 175.874 . 1 180 46 47 PHE CA C 57.925 . 1 181 46 47 PHE CB C 39.183 . 1 182 46 47 PHE N N 119.338 . 1 183 47 48 LYS H H 7.988 . 1 184 47 48 LYS C C 176.314 . 1 185 47 48 LYS CA C 56.772 . 1 186 47 48 LYS CB C 33.070 . 1 187 47 48 LYS N N 121.350 . 1 188 48 49 HIS H H 8.422 . 1 189 48 49 HIS C C 174.396 . 1 190 48 49 HIS CA C 55.428 . 1 191 48 49 HIS CB C 29.036 . 1 192 48 49 HIS N N 119.272 . 1 193 49 50 LEU H H 8.260 . 1 194 49 50 LEU C C 177.477 . 1 195 49 50 LEU CA C 55.487 . 1 196 49 50 LEU CB C 42.605 . 1 197 49 50 LEU N N 123.592 . 1 198 50 51 LYS H H 8.393 . 1 199 50 51 LYS C C 176.921 . 1 200 50 51 LYS CA C 56.748 . 1 201 50 51 LYS CB C 31.363 . 1 202 50 51 LYS N N 122.473 . 1 203 51 52 THR H H 8.067 . 1 204 51 52 THR C C 174.971 . 1 205 51 52 THR CA C 61.966 . 1 206 51 52 THR CB C 69.979 . 1 207 51 52 THR N N 114.985 . 1 208 52 53 GLU H H 8.494 . 1 209 52 53 GLU C C 176.673 . 1 210 52 53 GLU CA C 57.023 . 1 211 52 53 GLU CB C 28.637 . 1 212 52 53 GLU N N 122.370 . 1 213 53 54 ALA H H 8.337 . 1 214 53 54 ALA C C 178.733 . 1 215 53 54 ALA CA C 53.595 . 1 216 53 54 ALA CB C 19.050 . 1 217 53 54 ALA N N 123.886 . 1 218 54 55 GLU H H 8.135 . 1 219 54 55 GLU C C 177.087 . 1 220 54 55 GLU CA C 56.632 . 1 221 54 55 GLU CB C 28.695 . 1 222 54 55 GLU N N 118.991 . 1 223 55 56 MET H H 8.325 . 1 224 55 56 MET C C 176.970 . 1 225 55 56 MET CA C 56.559 . 1 226 55 56 MET CB C 32.782 . 1 227 55 56 MET N N 121.494 . 1 228 56 57 LYS H H 8.260 . 1 229 56 57 LYS C C 176.995 . 1 230 56 57 LYS CA C 57.168 . 1 231 56 57 LYS CB C 32.880 . 1 232 56 57 LYS N N 122.095 . 1 233 57 58 ALA H H 8.186 . 1 234 57 58 ALA C C 178.508 . 1 235 57 58 ALA CA C 53.354 . 1 236 57 58 ALA CB C 19.054 . 1 237 57 58 ALA N N 124.101 . 1 238 58 59 SER H H 8.174 . 1 239 58 59 SER C C 175.203 . 1 240 58 59 SER CA C 59.123 . 1 241 58 59 SER CB C 63.680 . 1 242 58 59 SER N N 114.384 . 1 243 59 60 GLU H H 8.218 . 1 244 59 60 GLU C C 176.176 . 1 245 59 60 GLU CA C 56.456 . 1 246 59 60 GLU CB C 28.772 . 1 247 59 60 GLU N N 121.684 . 1 248 60 61 ASP H H 8.368 . 1 249 60 61 ASP C C 175.441 . 1 250 60 61 ASP CA C 53.551 . 1 251 60 61 ASP CB C 38.331 . 1 252 60 61 ASP N N 119.595 . 1 253 61 62 LEU H H 8.092 . 1 254 61 62 LEU C C 177.552 . 1 255 61 62 LEU CA C 55.695 . 1 256 61 62 LEU CB C 42.255 . 1 257 61 62 LEU N N 122.572 . 1 258 62 63 LYS H H 8.117 . 1 259 62 63 LYS C C 176.681 . 1 260 62 63 LYS CA C 56.440 . 1 261 62 63 LYS CB C 32.871 . 1 262 62 63 LYS N N 121.213 . 1 263 63 64 LYS H H 8.170 . 1 264 63 64 LYS C C 176.430 . 1 265 63 64 LYS CA C 56.550 . 1 266 63 64 LYS CB C 33.106 . 1 267 63 64 LYS N N 122.193 . 1 268 64 65 HIS H H 8.520 . 1 269 64 65 HIS C C 174.767 . 1 270 64 65 HIS CA C 55.355 . 1 271 64 65 HIS CB C 29.337 . 1 272 64 65 HIS N N 119.599 . 1 273 65 66 GLY H H 8.466 . 1 274 65 66 GLY C C 173.826 . 1 275 65 66 GLY CA C 45.398 . 1 276 65 66 GLY N N 110.457 . 1 277 66 67 VAL H H 8.135 . 1 278 66 67 VAL C C 176.394 . 1 279 66 67 VAL CA C 62.208 . 1 280 66 67 VAL CB C 33.148 . 1 281 66 67 VAL N N 119.534 . 1 282 67 68 THR H H 8.377 . 1 283 67 68 THR C C 174.261 . 1 284 67 68 THR CA C 62.158 . 1 285 67 68 THR CB C 69.878 . 1 286 67 68 THR N N 119.893 . 1 287 68 69 VAL H H 8.308 . 1 288 68 69 VAL C C 175.897 . 1 289 68 69 VAL CA C 62.334 . 1 290 68 69 VAL CB C 32.877 . 1 291 68 69 VAL N N 124.265 . 1 292 69 70 LEU H H 8.414 . 1 293 69 70 LEU C C 177.544 . 1 294 69 70 LEU CA C 55.289 . 1 295 69 70 LEU CB C 42.434 . 1 296 69 70 LEU N N 126.585 . 1 297 70 71 THR H H 8.104 . 1 298 70 71 THR C C 174.346 . 1 299 70 71 THR CA C 61.986 . 1 300 70 71 THR CB C 69.850 . 1 301 70 71 THR N N 115.534 . 1 302 71 72 ALA H H 8.345 . 1 303 71 72 ALA C C 177.946 . 1 304 71 72 ALA CA C 52.808 . 1 305 71 72 ALA CB C 19.142 . 1 306 71 72 ALA N N 126.513 . 1 307 72 73 LEU H H 8.212 . 1 308 72 73 LEU C C 178.255 . 1 309 72 73 LEU CA C 55.873 . 1 310 72 73 LEU CB C 42.342 . 1 311 72 73 LEU N N 121.416 . 1 312 73 74 GLY H H 8.344 . 1 313 73 74 GLY C C 174.307 . 1 314 73 74 GLY CA C 45.826 . 1 315 73 74 GLY N N 108.855 . 1 316 74 75 ALA H H 8.041 . 1 317 74 75 ALA C C 178.199 . 1 318 74 75 ALA CA C 53.005 . 1 319 74 75 ALA CB C 19.238 . 1 320 74 75 ALA N N 123.507 . 1 321 75 76 ILE H H 8.012 . 1 322 75 76 ILE C C 176.679 . 1 323 75 76 ILE CA C 61.701 . 1 324 75 76 ILE CB C 38.534 . 1 325 75 76 ILE N N 119.919 . 1 326 76 77 LEU H H 8.207 . 1 327 76 77 LEU C C 177.538 . 1 328 76 77 LEU CA C 55.509 . 1 329 76 77 LEU CB C 42.242 . 1 330 76 77 LEU N N 125.422 . 1 331 77 78 LYS H H 8.164 . 1 332 77 78 LYS C C 176.671 . 1 333 77 78 LYS CA C 56.439 . 1 334 77 78 LYS CB C 32.962 . 1 335 77 78 LYS N N 121.860 . 1 336 78 79 LYS H H 8.171 . 1 337 78 79 LYS C C 176.705 . 1 338 78 79 LYS CA C 56.539 . 1 339 78 79 LYS CB C 33.032 . 1 340 78 79 LYS N N 122.062 . 1 341 79 80 LYS H H 8.331 . 1 342 79 80 LYS C C 177.108 . 1 343 79 80 LYS CA C 56.634 . 1 344 79 80 LYS CB C 33.266 . 1 345 79 80 LYS N N 122.670 . 1 346 80 81 GLY H H 8.368 . 1 347 80 81 GLY C C 173.612 . 1 348 80 81 GLY CA C 45.276 . 1 349 80 81 GLY N N 109.672 . 1 350 81 82 HIS H H 8.421 . 1 351 81 82 HIS C C 174.140 . 1 352 81 82 HIS CA C 55.218 . 1 353 81 82 HIS CB C 29.411 . 1 354 81 82 HIS N N 118.050 . 1 355 82 83 HIS H H 8.679 . 1 356 82 83 HIS C C 174.057 . 1 357 82 83 HIS CA C 55.397 . 1 358 82 83 HIS CB C 29.277 . 1 359 82 83 HIS N N 120.965 . 1 360 83 84 GLU H H 8.523 . 1 361 83 84 GLU C C 175.395 . 1 362 83 84 GLU CA C 55.708 . 1 363 83 84 GLU CB C 29.295 . 1 364 83 84 GLU N N 123.134 . 1 365 84 85 ALA H H 8.458 . 1 366 84 85 ALA C C 177.352 . 1 367 84 85 ALA CA C 52.529 . 1 368 84 85 ALA CB C 19.388 . 1 369 84 85 ALA N N 126.016 . 1 370 85 86 GLU H H 8.352 . 1 371 85 86 GLU C C 175.763 . 1 372 85 86 GLU CA C 55.554 . 1 373 85 86 GLU CB C 29.086 . 1 374 85 86 GLU N N 120.155 . 1 375 86 87 LEU H H 8.326 . 1 376 86 87 LEU C C 176.941 . 1 377 86 87 LEU CA C 55.071 . 1 378 86 87 LEU CB C 42.446 . 1 379 86 87 LEU N N 124.598 . 1 380 87 88 LYS H H 8.329 . 1 381 87 88 LYS CA C 54.173 . 1 382 87 88 LYS CB C 32.621 . 1 383 87 88 LYS N N 123.889 . 1 384 88 89 PRO C C 176.906 . 1 385 88 89 PRO CA C 62.960 . 1 386 88 89 PRO CB C 32.201 . 1 387 89 90 LEU H H 8.349 . 1 388 89 90 LEU C C 177.395 . 1 389 89 90 LEU CA C 55.225 . 1 390 89 90 LEU CB C 42.503 . 1 391 89 90 LEU N N 122.925 . 1 392 90 91 ALA H H 8.332 . 1 393 90 91 ALA C C 177.684 . 1 394 90 91 ALA CA C 52.592 . 1 395 90 91 ALA CB C 19.379 . 1 396 90 91 ALA N N 125.350 . 1 397 91 92 GLN H H 8.368 . 1 398 91 92 GLN C C 176.041 . 1 399 91 92 GLN CA C 55.706 . 1 400 91 92 GLN CB C 29.758 . 1 401 91 92 GLN N N 119.893 . 1 402 92 93 SER H H 8.357 . 1 403 92 93 SER C C 174.509 . 1 404 92 93 SER CA C 58.367 . 1 405 92 93 SER CB C 63.811 . 1 406 92 93 SER N N 117.175 . 1 407 93 94 HIS H H 8.600 . 1 408 93 94 HIS C C 173.984 . 1 409 93 94 HIS CA C 55.105 . 1 410 93 94 HIS CB C 29.117 . 1 411 93 94 HIS N N 120.566 . 1 412 94 95 ALA H H 8.344 . 1 413 94 95 ALA C C 177.779 . 1 414 94 95 ALA CA C 52.607 . 1 415 94 95 ALA CB C 19.388 . 1 416 94 95 ALA N N 125.284 . 1 417 95 96 THR H H 8.271 . 1 418 95 96 THR C C 174.376 . 1 419 95 96 THR CA C 61.847 . 1 420 95 96 THR CB C 69.937 . 1 421 95 96 THR N N 115.031 . 1 422 96 97 LYS H H 8.377 . 1 423 96 97 LYS C C 176.213 . 1 424 96 97 LYS CA C 56.237 . 1 425 96 97 LYS CB C 33.198 . 1 426 96 97 LYS N N 124.167 . 1 427 97 98 HIS H H 8.567 . 1 428 97 98 HIS C C 174.036 . 1 429 97 98 HIS CA C 54.997 . 1 430 97 98 HIS CB C 29.400 . 1 431 97 98 HIS N N 120.337 . 1 432 98 99 LYS H H 8.504 . 1 433 98 99 LYS C C 176.100 . 1 434 98 99 LYS CA C 56.370 . 1 435 98 99 LYS CB C 33.146 . 1 436 98 99 LYS N N 124.056 . 1 437 99 100 ILE H H 8.320 . 1 438 99 100 ILE CA C 58.651 . 1 439 99 100 ILE CB C 38.859 . 1 440 99 100 ILE N N 124.873 . 1 441 100 101 PRO C C 177.530 . 1 442 100 101 PRO CA C 63.009 . 1 443 100 101 PRO CB C 32.880 . 1 444 101 102 ILE H H 8.163 . 1 445 101 102 ILE C C 176.300 . 1 446 101 102 ILE CA C 61.607 . 1 447 101 102 ILE CB C 38.778 . 1 448 101 102 ILE N N 122.073 . 1 449 102 103 LYS H H 8.276 . 1 450 102 103 LYS C C 176.198 . 1 451 102 103 LYS CA C 56.438 . 1 452 102 103 LYS CB C 32.977 . 1 453 102 103 LYS N N 124.631 . 1 454 103 104 TYR H H 8.100 . 1 455 103 104 TYR C C 175.691 . 1 456 103 104 TYR CA C 58.141 . 1 457 103 104 TYR CB C 38.775 . 1 458 103 104 TYR N N 121.610 . 1 459 104 105 LEU H H 8.084 . 1 460 104 105 LEU C C 177.060 . 1 461 104 105 LEU CA C 55.405 . 1 462 104 105 LEU CB C 42.352 . 1 463 104 105 LEU N N 123.383 . 1 464 105 106 GLU H H 8.105 . 1 465 105 106 GLU C C 175.678 . 1 466 105 106 GLU CA C 56.186 . 1 467 105 106 GLU CB C 28.893 . 1 468 105 106 GLU N N 120.436 . 1 469 106 107 PHE H H 8.136 . 1 470 106 107 PHE C C 175.711 . 1 471 106 107 PHE CA C 58.028 . 1 472 106 107 PHE CB C 39.608 . 1 473 106 107 PHE N N 121.021 . 1 474 107 108 ILE H H 8.018 . 1 475 107 108 ILE C C 176.042 . 1 476 107 108 ILE CA C 61.261 . 1 477 107 108 ILE CB C 38.952 . 1 478 107 108 ILE N N 122.638 . 1 479 108 109 SER H H 8.200 . 1 480 108 109 SER C C 174.829 . 1 481 108 109 SER CA C 58.670 . 1 482 108 109 SER CB C 63.772 . 1 483 108 109 SER N N 119.043 . 1 484 109 110 GLU H H 8.321 . 1 485 109 110 GLU C C 175.918 . 1 486 109 110 GLU CA C 56.195 . 1 487 109 110 GLU CB C 28.793 . 1 488 109 110 GLU N N 122.331 . 1 489 110 111 ALA H H 8.167 . 1 490 110 111 ALA C C 177.894 . 1 491 110 111 ALA CA C 53.225 . 1 492 110 111 ALA CB C 19.063 . 1 493 110 111 ALA N N 124.278 . 1 494 111 112 ILE H H 7.955 . 1 495 111 112 ILE C C 176.293 . 1 496 111 112 ILE CA C 61.548 . 1 497 111 112 ILE CB C 38.826 . 1 498 111 112 ILE N N 119.609 . 1 499 112 113 ILE H H 8.028 . 1 500 112 113 ILE C C 176.227 . 1 501 112 113 ILE CA C 61.339 . 1 502 112 113 ILE N N 124.089 . 1 503 113 114 HIS H H 8.525 . 1 504 113 114 HIS C C 174.276 . 1 505 113 114 HIS CA C 55.323 . 1 506 113 114 HIS CB C 28.781 . 1 507 113 114 HIS N N 122.372 . 1 508 114 115 VAL H H 8.169 . 1 509 114 115 VAL C C 175.915 . 1 510 114 115 VAL CA C 62.515 . 1 511 114 115 VAL CB C 32.961 . 1 512 114 115 VAL N N 122.269 . 1 513 115 116 LEU H H 8.371 . 1 514 115 116 LEU C C 177.208 . 1 515 115 116 LEU CA C 55.265 . 1 516 115 116 LEU CB C 42.585 . 1 517 115 116 LEU N N 126.010 . 1 518 116 117 HIS H H 8.524 . 1 519 116 117 HIS C C 174.343 . 1 520 116 117 HIS CA C 55.139 . 1 521 116 117 HIS CB C 29.117 . 1 522 116 117 HIS N N 119.102 . 1 523 117 118 SER H H 8.271 . 1 524 117 118 SER C C 174.303 . 1 525 117 118 SER CA C 58.352 . 1 526 117 118 SER CB C 63.979 . 1 527 117 118 SER N N 116.828 . 1 528 118 119 ARG H H 8.425 . 1 529 118 119 ARG C C 175.840 . 1 530 118 119 ARG CA C 56.220 . 1 531 118 119 ARG CB C 33.204 . 1 532 118 119 ARG N N 122.530 . 1 533 119 120 HIS H H 8.487 . 1 534 119 120 HIS CA C 53.277 . 1 535 119 120 HIS CB C 29.342 . 1 536 119 120 HIS N N 119.828 . 1 537 120 121 PRO C C 177.426 . 1 538 120 121 PRO CA C 63.624 . 1 539 121 122 GLY H H 8.504 . 1 540 121 122 GLY C C 173.779 . 1 541 121 122 GLY CA C 45.504 . 1 542 121 122 GLY N N 109.208 . 1 543 122 123 ASP H H 8.171 . 1 544 122 123 ASP C C 175.060 . 1 545 122 123 ASP CA C 52.922 . 1 546 122 123 ASP N N 118.769 . 1 547 123 124 PHE H H 8.252 . 1 548 123 124 PHE C C 176.277 . 1 549 123 124 PHE CA C 58.070 . 1 550 123 124 PHE CB C 39.588 . 1 551 123 124 PHE N N 120.828 . 1 552 124 125 GLY H H 8.340 . 1 553 124 125 GLY C C 174.146 . 1 554 124 125 GLY CA C 45.556 . 1 555 124 125 GLY N N 110.195 . 1 556 125 126 ALA H H 8.164 . 1 557 125 126 ALA C C 177.964 . 1 558 125 126 ALA CA C 53.094 . 1 559 125 126 ALA CB C 19.237 . 1 560 125 126 ALA N N 123.631 . 1 561 126 127 ASP H H 8.431 . 1 562 126 127 ASP C C 175.366 . 1 563 126 127 ASP CA C 53.229 . 1 564 126 127 ASP CB C 28.736 . 1 565 126 127 ASP N N 117.469 . 1 566 127 128 ALA H H 8.162 . 1 567 127 128 ALA C C 178.053 . 1 568 127 128 ALA CA C 53.223 . 1 569 127 128 ALA CB C 19.058 . 1 570 127 128 ALA N N 124.357 . 1 571 128 129 GLN H H 8.323 . 1 572 128 129 GLN C C 176.993 . 1 573 128 129 GLN CA C 56.723 . 1 574 128 129 GLN N N 118.808 . 1 575 129 130 GLY H H 8.338 . 1 576 129 130 GLY C C 174.525 . 1 577 129 130 GLY CA C 45.907 . 1 578 129 130 GLY N N 109.280 . 1 579 130 131 ALA H H 8.120 . 1 580 130 131 ALA C C 178.577 . 1 581 130 131 ALA CA C 53.323 . 1 582 130 131 ALA CB C 19.153 . 1 583 130 131 ALA N N 123.762 . 1 584 131 132 MET H H 8.298 . 1 585 131 132 MET C C 176.520 . 1 586 131 132 MET CA C 56.382 . 1 587 131 132 MET CB C 38.535 . 1 588 131 132 MET N N 118.874 . 1 589 132 133 ASN H H 8.286 . 1 590 132 133 ASN C C 176.096 . 1 591 132 133 ASN CA C 54.153 . 1 592 132 133 ASN CB C 38.270 . 1 593 132 133 ASN N N 119.383 . 1 594 133 134 LYS H H 8.248 . 1 595 133 134 LYS C C 177.356 . 1 596 133 134 LYS CA C 57.879 . 1 597 133 134 LYS CB C 33.002 . 1 598 133 134 LYS N N 122.086 . 1 599 134 135 ALA H H 8.143 . 1 600 134 135 ALA C C 178.535 . 1 601 134 135 ALA CA C 53.917 . 1 602 134 135 ALA N N 122.899 . 1 603 135 136 LEU H H 7.989 . 1 604 135 136 LEU C C 178.225 . 1 605 135 136 LEU CA C 56.420 . 1 606 135 136 LEU N N 120.169 . 1 607 136 137 GLU H H 8.067 . 1 608 136 137 GLU C C 177.049 . 1 609 136 137 GLU CA C 57.183 . 1 610 136 137 GLU N N 119.494 . 1 611 137 138 LEU H H 7.988 . 1 612 137 138 LEU C C 177.392 . 1 613 137 138 LEU CA C 56.253 . 1 614 137 138 LEU N N 121.455 . 1 615 138 139 PHE H H 8.074 . 1 616 138 139 PHE C C 176.506 . 1 617 138 139 PHE CA C 58.632 . 1 618 138 139 PHE CB C 39.207 . 1 619 138 139 PHE N N 120.006 . 1 620 139 140 ARG H H 8.061 . 1 621 139 140 ARG C C 176.705 . 1 622 139 140 ARG CA C 57.018 . 1 623 139 140 ARG N N 120.579 . 1 624 140 141 LYS H H 8.113 . 1 625 140 141 LYS C C 177.070 . 1 626 140 141 LYS CA C 57.519 . 1 627 140 141 LYS CB C 32.653 . 1 628 140 141 LYS N N 120.952 . 1 629 141 142 ASP H H 8.383 . 1 630 141 142 ASP C C 175.866 . 1 631 141 142 ASP CA C 53.898 . 1 632 141 142 ASP CB C 38.297 . 1 633 141 142 ASP N N 119.547 . 1 634 142 143 ILE H H 7.950 . 1 635 142 143 ILE C C 176.307 . 1 636 142 143 ILE CA C 61.849 . 1 637 142 143 ILE CB C 38.384 . 1 638 142 143 ILE N N 120.605 . 1 639 143 144 ALA H H 8.133 . 1 640 143 144 ALA C C 178.148 . 1 641 143 144 ALA CA C 53.178 . 1 642 143 144 ALA CB C 18.970 . 1 643 143 144 ALA N N 126.051 . 1 644 144 145 ALA H H 8.019 . 1 645 144 145 ALA C C 178.411 . 1 646 144 145 ALA CA C 53.251 . 1 647 144 145 ALA CB C 19.179 . 1 648 144 145 ALA N N 122.079 . 1 649 145 146 LYS H H 7.981 . 1 650 145 146 LYS C C 176.848 . 1 651 145 146 LYS CA C 57.099 . 1 652 145 146 LYS N N 119.030 . 1 653 146 147 TYR H H 7.932 . 1 654 146 147 TYR C C 176.131 . 1 655 146 147 TYR CA C 58.247 . 1 656 146 147 TYR N N 119.318 . 1 657 147 148 LYS H H 8.007 . 1 658 147 148 LYS C C 176.357 . 1 659 147 148 LYS CA C 57.030 . 1 660 147 148 LYS CB C 33.024 . 1 661 147 148 LYS N N 121.756 . 1 662 148 149 GLU H H 8.158 . 1 663 148 149 GLU C C 176.093 . 1 664 148 149 GLU CA C 55.974 . 1 665 148 149 GLU CB C 28.966 . 1 666 148 149 GLU N N 120.576 . 1 667 149 150 LEU H H 8.226 . 1 668 149 150 LEU C C 177.803 . 1 669 149 150 LEU CA C 55.579 . 1 670 149 150 LEU N N 122.808 . 1 671 150 151 GLY H H 8.279 . 1 672 150 151 GLY C C 173.957 . 1 673 150 151 GLY CA C 45.463 . 1 674 150 151 GLY N N 108.836 . 1 675 151 152 TYR H H 8.003 . 1 676 151 152 TYR C C 175.724 . 1 677 151 152 TYR CA C 58.200 . 1 678 151 152 TYR CB C 35.636 . 1 679 151 152 TYR N N 120.246 . 1 680 152 153 GLN H H 8.291 . 1 681 152 153 GLN C C 175.562 . 1 682 152 153 GLN CA C 55.547 . 1 683 152 153 GLN N N 123.154 . 1 684 153 154 GLY H H 7.612 . 1 685 153 154 GLY CA C 44.550 . 1 686 153 154 GLY N N 110.770 . 1 stop_ save_