data_4695 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Effect of the single mutation His 64->Phe on the stability and folding of apomyoglobin ; _BMRB_accession_number 4695 _BMRB_flat_file_name bmr4695.str _Entry_type original _Submission_date 2000-03-20 _Accession_date 2000-03-20 _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 Garcia Carlos . . 2 Cavagnero Silvia . . 3 Nishimura Chiaki . . 4 Dyson H. Jane . 5 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" 147 "13C chemical shifts" 282 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-23 original author 'original release.' 2001-10-09 update author 'correct residue 55 from ASP to MET.' stop_ loop_ _Related_BMRB_accession_number _Relationship 5158 'apomyoglobin N132G,E136G mutant' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Changes in the apomyoglobin folding pathway caused by mutation of the distal histidine residue ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10985768 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garcia Carlos . . 2 Nishimura Chiaki . . 3 Cavagnero Silvia . . 4 Dyson H. Jane . 5 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 39 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11227 _Page_last 11237 _Year 2000 _Details . loop_ _Keyword 'apomyoglobin folding' 'folding intermediate' 'molten globule' mutant stop_ save_ ################################## # Molecular system description # ################################## save_system_Mb _Saveframe_category molecular_system _Mol_system_name 'myoglobin H64F mutant' _Abbreviation_common Mb _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'myoglobin H64F mutant' $Mb stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'oxygen storage' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common myoglobin _Name_variant H64F _Abbreviation_common Mb _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKFGVTVLTALGAILKKKG HHEAELKPLAQSHATKHKIP IKYLEFISEAIIHVLHSRHP GDFGADAQGAMNKALELFRK DIAAKYKELGYQG ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LEU 3 SER 4 GLU 5 GLY 6 GLU 7 TRP 8 GLN 9 LEU 10 VAL 11 LEU 12 HIS 13 VAL 14 TRP 15 ALA 16 LYS 17 VAL 18 GLU 19 ALA 20 ASP 21 VAL 22 ALA 23 GLY 24 HIS 25 GLY 26 GLN 27 ASP 28 ILE 29 LEU 30 ILE 31 ARG 32 LEU 33 PHE 34 LYS 35 SER 36 HIS 37 PRO 38 GLU 39 THR 40 LEU 41 GLU 42 LYS 43 PHE 44 ASP 45 ARG 46 PHE 47 LYS 48 HIS 49 LEU 50 LYS 51 THR 52 GLU 53 ALA 54 GLU 55 MET 56 LYS 57 ALA 58 SER 59 GLU 60 ASP 61 LEU 62 LYS 63 LYS 64 PHE 65 GLY 66 VAL 67 THR 68 VAL 69 LEU 70 THR 71 ALA 72 LEU 73 GLY 74 ALA 75 ILE 76 LEU 77 LYS 78 LYS 79 LYS 80 GLY 81 HIS 82 HIS 83 GLU 84 ALA 85 GLU 86 LEU 87 LYS 88 PRO 89 LEU 90 ALA 91 GLN 92 SER 93 HIS 94 ALA 95 THR 96 LYS 97 HIS 98 LYS 99 ILE 100 PRO 101 ILE 102 LYS 103 TYR 104 LEU 105 GLU 106 PHE 107 ILE 108 SER 109 GLU 110 ALA 111 ILE 112 ILE 113 HIS 114 VAL 115 LEU 116 HIS 117 SER 118 ARG 119 HIS 120 PRO 121 GLY 122 ASP 123 PHE 124 GLY 125 ALA 126 ASP 127 ALA 128 GLN 129 GLY 130 ALA 131 MET 132 ASN 133 LYS 134 ALA 135 LEU 136 GLU 137 LEU 138 PHE 139 ARG 140 LYS 141 ASP 142 ILE 143 ALA 144 ALA 145 LYS 146 TYR 147 LYS 148 GLU 149 LEU 150 GLY 151 TYR 152 GLN 153 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-24 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 100.00 153 99.35 99.35 3.18e-102 BMRB 1029 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1200 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1413 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1455 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1457 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1459 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1461 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1463 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1465 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1467 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1469 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 1471 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 15589 Apomyoglobin_(1-77) 50.33 77 98.70 98.70 1.47e-43 BMRB 16217 apomyoglobin 77.78 119 99.16 99.16 3.59e-75 BMRB 16218 apoMb_1-119_fragment 77.78 119 99.16 99.16 3.59e-75 BMRB 16499 1-77_Apomyoglobin 50.33 78 98.70 98.70 1.22e-43 BMRB 16500 (1-119)Apomyoglobin 77.78 120 99.16 99.16 3.66e-75 BMRB 16501 (1-153)Apomyoglobin 100.00 154 99.35 99.35 1.87e-102 BMRB 1752 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2345 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2346 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2347 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2348 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2431 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2432 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2433 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 2434 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 291 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 292 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 293 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 40 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 4061 apomyoglobin 100.00 154 99.35 99.35 1.87e-102 BMRB 4062 apomyoglobin 100.00 154 99.35 99.35 1.87e-102 BMRB 426 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 4568 myoglobin 100.00 153 99.35 99.35 3.18e-102 BMRB 4676 "unfolded myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 4.94e-101 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 98.69 99.35 4.57e-102 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 4.57e-102 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 100.00 153 99.35 99.35 3.18e-102 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 100.00 153 99.35 99.35 3.18e-102 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 6.15e-101 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 6.15e-101 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 98.04 98.69 6.15e-101 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 6.55e-102 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 6.55e-102 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 6.55e-102 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 6.55e-102 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 98.69 151 98.68 99.34 3.97e-100 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 98.69 151 99.34 99.34 1.45e-100 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 98.69 151 99.34 99.34 1.45e-100 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 98.69 151 99.34 99.34 1.45e-100 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 98.69 99.35 6.55e-102 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 100.00 153 99.35 99.35 3.18e-102 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 100.00 153 99.35 99.35 3.18e-102 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 100.00 153 99.35 99.35 3.18e-102 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 100.00 153 99.35 99.35 3.18e-102 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 100.00 153 99.35 99.35 3.18e-102 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 99.35 99.35 3.18e-102 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 99.35 99.35 3.18e-102 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 98.04 98.69 1.51e-100 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 98.04 98.69 3.02e-101 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 98.04 98.69 8.73e-101 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 98.04 98.69 1.49e-100 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 98.04 98.69 1.22e-100 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 98.04 98.69 5.40e-101 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 98.04 98.69 4.02e-101 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 98.04 99.35 1.07e-101 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 98.04 98.69 4.94e-101 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 98.04 99.35 1.64e-101 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 98.04 98.69 6.29e-101 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 98.04 98.69 3.02e-101 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 98.04 98.69 8.73e-101 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 100.00 153 99.35 99.35 3.18e-102 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 100.00 154 98.04 98.69 1.06e-100 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 100.00 154 98.04 98.69 1.06e-100 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 100.00 154 98.04 98.69 1.06e-100 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 100.00 154 98.04 98.69 1.06e-100 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 98.04 98.69 1.24e-100 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 100.00 153 98.69 98.69 7.90e-101 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 100.00 153 98.69 98.69 7.90e-101 PDB 1DXC "Co Complex Of Myoglobin Mb-Yqr At 100k" 100.00 154 97.39 98.04 3.42e-100 PDB 1DXD "Photolyzed Co Complex Of Myoglobin Mb-Yqr At 20k" 100.00 154 97.39 98.04 3.42e-100 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 100.00 153 99.35 99.35 3.18e-102 PDB 1F63 "Crystal Structure Of Deoxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.39 98.04 3.42e-100 PDB 1F65 "Crystal Structure Of Oxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.39 98.04 3.42e-100 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 100.00 153 99.35 99.35 3.18e-102 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 98.04 98.69 2.74e-101 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 97.39 98.04 4.03e-100 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 153 99.35 99.35 3.18e-102 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 98.69 98.69 4.94e-101 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.69 98.69 1.05e-101 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 98.69 99.35 6.55e-102 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 98.04 98.69 3.02e-101 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 100.00 153 99.35 99.35 3.18e-102 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 100.00 153 99.35 99.35 3.18e-102 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 99.35 99.35 3.18e-102 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 99.35 99.35 3.18e-102 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 98.69 99.35 6.55e-102 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 100.00 153 99.35 99.35 3.18e-102 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 98.04 98.69 8.73e-101 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" 100.00 154 98.04 98.69 5.22e-101 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 100.00 153 99.35 99.35 3.18e-102 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 99.35 99.35 3.18e-102 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 100.00 153 99.35 99.35 3.18e-102 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 98.69 98.69 1.08e-101 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 98.69 100.00 7.37e-103 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 3.06e-101 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 3.06e-101 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 3.06e-101 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 6.15e-101 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 6.15e-101 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 98.69 6.15e-101 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 1.12e-101 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 1.12e-101 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 1.12e-101 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 2.35e-101 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 2.35e-101 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.04 99.35 2.35e-101 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 98.04 98.69 4.58e-101 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.04 98.69 3.02e-101 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.05e-101 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 3.75e-102 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 3.75e-102 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.04 98.69 3.85e-101 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.04 98.69 4.94e-101 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.04 98.69 4.94e-101 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 100.00 153 99.35 99.35 3.18e-102 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 98.04 98.69 4.94e-101 PDB 1MYZ "Co Complex Of Myoglobin Mb-yqr At Rt Solved From Laue Data." 100.00 154 97.39 98.04 3.42e-100 PDB 1MZ0 "Structure Of Myoglobin Mb-yqr 316 Ns After Photolysis Of Carbon Monoxide Solved From Laue Data At Rt" 100.00 154 97.39 98.04 3.42e-100 PDB 1N9F "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.39 98.04 3.42e-100 PDB 1N9H "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.39 98.04 3.42e-100 PDB 1N9I "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.39 98.04 3.42e-100 PDB 1N9X "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.39 98.04 3.42e-100 PDB 1NAZ "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.39 98.04 3.42e-100 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 98.04 98.69 6.08e-101 PDB 1OBM "Recombinant Sperm Whale Myoglobin 29f64Q68F122N MUTANT (Met)" 100.00 154 97.39 98.04 2.16e-100 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 98.04 98.69 4.15e-101 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 98.04 98.69 3.85e-101 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 100.00 153 99.35 99.35 3.18e-102 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 99.35 99.35 3.18e-102 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 98.69 99.35 6.55e-102 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 100.00 153 99.35 99.35 3.18e-102 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 100.00 153 99.35 99.35 3.18e-102 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.69 98.69 1.05e-101 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 99.35 99.35 1.87e-102 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.69 98.69 1.05e-101 PDB 1VXA "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXB "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXC "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXD "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXE "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXF "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXG "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1VXH "Native Sperm Whale Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 100.00 153 99.35 99.35 1.97e-102 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 100.00 153 99.35 99.35 3.18e-102 PDB 1YOH "Cobalt Myoglobin (Met)" 100.00 153 99.35 99.35 3.18e-102 PDB 1YOI "Cobalt Myoglobin (Oxy)" 100.00 153 99.35 99.35 3.18e-102 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 100.00 153 98.04 98.69 1.03e-100 PDB 2BLI "L29w Mb Deoxy" 100.00 153 98.04 98.69 1.03e-100 PDB 2BLJ "Structure Of L29w Mbco" 100.00 153 98.04 98.69 1.03e-100 PDB 2BW9 "Laue Structure Of L29w Mbco" 100.00 153 98.04 98.69 1.03e-100 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 100.00 153 98.04 98.69 1.03e-100 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 100.00 153 99.35 99.35 3.18e-102 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 100.00 153 99.35 99.35 3.18e-102 PDB 2E2Y "Crystal Structure Of F43wH64DV68I MYOGLOBIN" 100.00 154 97.39 99.35 1.34e-100 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 99.35 99.35 1.87e-102 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 99.35 99.35 1.87e-102 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 98.69 98.69 1.05e-101 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 100.00 153 99.35 99.35 3.18e-102 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 100.00 153 99.35 99.35 3.18e-102 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 98.69 98.69 7.90e-101 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 98.69 98.69 7.90e-101 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 98.04 98.69 3.02e-101 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 98.04 98.69 3.02e-101 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 98.04 98.69 3.02e-101 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 98.04 98.69 3.02e-101 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 98.04 98.69 3.02e-101 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 98.04 98.69 3.02e-101 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 98.04 98.69 3.02e-101 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 98.04 98.69 3.02e-101 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 98.04 98.69 3.02e-101 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 99.35 99.35 1.87e-102 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 99.35 153 99.34 99.34 1.50e-101 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 98.69 99.35 6.55e-102 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.05e-101 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.05e-101 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.75e-102 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.75e-102 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.75e-102 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.98e-102 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.98e-102 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.98e-102 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 3.75e-102 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 2.51e-102 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 6.55e-102 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 6.55e-102 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 6.55e-102 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 99.35 99.35 3.18e-102 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 99.35 99.35 3.18e-102 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 99.35 99.35 3.18e-102 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 100.00 153 99.35 99.35 3.18e-102 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 99.35 99.35 3.18e-102 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 98.04 98.69 1.40e-100 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 98.04 98.69 1.31e-100 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 98.04 99.35 5.64e-101 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 98.04 98.69 1.40e-100 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.04 98.69 3.02e-101 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.04 98.69 3.02e-101 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.04 98.69 3.02e-101 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.04 99.35 1.64e-101 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 99.35 99.35 1.87e-102 PDB 2W6X "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqrf In Complex With Xenon" 100.00 154 97.39 97.39 6.37e-100 PDB 2W6Y "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqr In Complex With Xenon" 100.00 154 98.04 98.04 1.35e-100 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 100.00 153 99.35 99.35 3.18e-102 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 98.69 98.69 1.41e-101 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 98.69 99.35 6.55e-102 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 100.00 153 99.35 99.35 3.18e-102 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 100.00 153 99.35 99.35 3.18e-102 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 100.00 153 99.35 99.35 3.18e-102 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 100.00 153 99.35 99.35 3.18e-102 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 100.00 153 99.35 99.35 3.18e-102 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 100.00 153 99.35 99.35 3.18e-102 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 98.04 98.69 2.62e-101 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 98.04 98.69 2.62e-101 PDB 3K9Z "Rational Design Of A Structural And Functional Nitric Oxide Reductase" 100.00 153 97.39 97.39 8.76e-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" 100.00 153 98.04 98.04 5.12e-100 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 98.69 100.00 2.70e-102 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 100.00 153 98.69 98.69 2.18e-101 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 98.69 100.00 2.70e-102 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 98.69 98.69 3.93e-101 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 99.35 99.35 1.87e-102 PDB 4FWX "Aquoferric F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin)" 100.00 153 97.39 98.04 1.74e-99 PDB 4FWY "F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin) With Copper Bound" 100.00 153 97.39 98.04 1.74e-99 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 100.00 153 98.04 98.04 6.58e-100 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 98.69 98.69 1.54e-101 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 98.69 98.69 1.54e-101 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 98.69 98.69 3.72e-101 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 98.04 98.69 1.05e-100 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 99.35 99.35 3.18e-102 PDB 4MXK "X-ray Structure Of Fe(ii)-znpixfebmb1" 100.00 153 97.39 97.39 8.76e-99 PDB 4MXL "X-ray Structure Of Znpfebmb1" 100.00 153 97.39 97.39 8.76e-99 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 99.35 99.35 1.87e-102 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 99.35 99.35 1.87e-102 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 100.00 153 98.69 98.69 1.05e-101 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 98.69 98.69 1.38e-101 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 99.35 99.35 1.87e-102 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 98.69 98.69 2.89e-101 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 98.04 98.04 4.59e-100 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 98.69 98.69 3.52e-101 PDB 4QAU "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 5.62e-102 PDB 5C6Y "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" 100.00 154 98.04 98.69 1.05e-100 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 99.35 99.35 3.18e-102 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 99.35 99.35 1.87e-102 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 98.69 99.35 6.55e-102 PRF 742482A myoglobin 100.00 153 98.69 99.35 8.14e-102 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 99.35 99.35 1.87e-102 SP P02185 "RecName: Full=Myoglobin" 100.00 154 99.35 99.35 1.87e-102 stop_ save_ ############# # Ligands # ############# save_HEA _Saveframe_category ligand _Mol_type non-polymer _Name_common "HEA (HEME-A)" _BMRB_code . _PDB_code HEA _Molecular_mass 852.837 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; heme appears normally bound to the mutant protein, despite the mutation of the distal histidine H64 to Phe. Heme contains low spin Fe(II) (Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 14:51:05 2011) ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons FE FE FE . 0 . ? 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 . ? OMA OMA O . 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 . ? 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 . ? C11 C11 C . 0 . ? O11 O11 O . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C25 C25 C . 0 . ? C26 C26 C . 0 . ? C27 C27 C . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA HMA 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 . ? 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 . ? H11 H11 H . 0 . ? HO1 HO1 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H14 H14 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H18 H18 H . 0 . ? H201 H201 H . 0 . ? H202 H202 H . 0 . ? H211 H211 H . 0 . ? H212 H212 H . 0 . ? H22 H22 H . 0 . ? H241 H241 H . 0 . ? H242 H242 H . 0 . ? H243 H243 H . 0 . ? H251 H251 H . 0 . ? H252 H252 H . 0 . ? H253 H253 H . 0 . ? H261 H261 H . 0 . ? H262 H262 H . 0 . ? H263 H263 H . 0 . ? H271 H271 H . 0 . ? H272 H272 H . 0 . ? H273 H273 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 FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? SING CHD C4C ? ? DOUB CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? DOUB CMA OMA ? ? SING CMA HMA ? ? 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 ? ? DOUB NB C1B ? ? SING NB C4B ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B C11 ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? DOUB 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 ? ? SING ND C1D ? ? DOUB 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 ? ? SING C11 O11 ? ? SING C11 C12 ? ? SING C11 H11 ? ? SING O11 HO1 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? DOUB C14 C15 ? ? SING C14 H14 ? ? SING C15 C16 ? ? SING C15 C26 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? DOUB C18 C19 ? ? SING C18 H18 ? ? SING C19 C20 ? ? SING C19 C27 ? ? SING C20 C21 ? ? SING C20 H201 ? ? SING C20 H202 ? ? SING C21 C22 ? ? SING C21 H211 ? ? SING C21 H212 ? ? DOUB C22 C23 ? ? SING C22 H22 ? ? SING C23 C24 ? ? SING C23 C25 ? ? SING C24 H241 ? ? SING C24 H242 ? ? SING C24 H243 ? ? SING C25 H251 ? ? SING C25 H252 ? ? SING C25 H253 ? ? SING C26 H261 ? ? SING C26 H262 ? ? SING C26 H263 ? ? SING C27 H271 ? ? SING C27 H272 ? ? SING C27 H273 ? ? 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 $Mb '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 _Details $Mb 'recombinant technology' . . . . . 'site-specific mutation made using PCR' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Mb 1 mM 0.5 1.5 '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97 loop_ _Task 'process and plot spectra' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Task 'process and plot' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.2 pH temperature 308 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . . $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'myoglobin H64F mutant' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 VAL CA C 59.9 0.2 1 2 . 1 VAL CB C 32.5 0.2 1 3 . 2 LEU H H 8.33 0.02 1 4 . 2 LEU CA C 54.2 0.2 1 5 . 2 LEU CB C 32.5 0.2 1 6 . 2 LEU N N 126.1 0.1 1 7 . 3 SER H H 9.13 0.02 1 8 . 3 SER CA C 55.3 0.2 1 9 . 3 SER CB C 64.3 0.2 1 10 . 3 SER N N 117.6 0.1 1 11 . 4 GLU H H 9.13 0.02 1 12 . 4 GLU CA C 57.9 0.2 1 13 . 4 GLU CB C 27.3 0.2 1 14 . 4 GLU N N 121.2 0.1 1 15 . 5 GLY H H 8.64 0.02 1 16 . 5 GLY CA C 44.9 0.2 1 17 . 5 GLY N N 106.0 0.2 1 18 . 6 GLU H H 7.80 0.02 1 19 . 6 GLU CA C 57.9 0.2 1 20 . 6 GLU CB C 27.8 0.2 1 21 . 6 GLU N N 122.7 0.1 1 22 . 7 TRP H H 8.55 0.02 1 23 . 7 TRP CA C 58.9 0.2 1 24 . 7 TRP CB C 28.3 0.2 1 25 . 7 TRP N N 118.9 0.1 1 26 . 8 GLN H H 8.53 0.02 1 27 . 8 GLN CA C 57.3 0.2 1 28 . 8 GLN CB C 25.8 0.2 1 29 . 8 GLN N N 116.9 0.1 1 30 . 9 LEU H H 7.60 0.02 1 31 . 9 LEU CA C 56.3 0.2 1 32 . 9 LEU CB C 40.8 0.2 1 33 . 9 LEU N N 120.3 0.1 1 34 . 10 VAL H H 7.98 0.02 1 35 . 10 VAL CA C 65.1 0.2 1 36 . 10 VAL CB C 29.9 0.2 1 37 . 10 VAL N N 120.2 0.1 1 38 . 11 LEU H H 8.82 0.02 1 39 . 11 LEU CA C 55.8 0.2 1 40 . 11 LEU CB C 38.2 0.2 1 41 . 11 LEU N N 118.0 0.1 1 42 . 12 HIS H H 8.61 0.02 1 43 . 12 HIS CA C 57.3 0.2 1 44 . 12 HIS CB C 27.3 0.2 1 45 . 12 HIS N N 120.9 0.1 1 46 . 13 VAL H H 7.91 0.02 1 47 . 13 VAL CA C 64.1 0.2 1 48 . 13 VAL CB C 29.4 0.2 1 49 . 13 VAL N N 118.5 0.1 1 50 . 14 TRP H H 9.02 0.02 1 51 . 14 TRP CA C 58.4 0.2 1 52 . 14 TRP CB C 26.8 0.2 1 53 . 14 TRP N N 122.2 0.1 1 54 . 15 ALA H H 7.63 0.02 1 55 . 15 ALA CA C 53.2 0.2 1 56 . 15 ALA CB C 15.9 0.2 1 57 . 15 ALA N N 118.5 0.1 1 58 . 16 LYS H H 7.14 0.02 1 59 . 16 LYS CA C 55.8 0.2 1 60 . 16 LYS CB C 28.3 0.2 1 61 . 16 LYS N N 115.2 0.1 1 62 . 17 VAL H H 6.70 0.02 1 63 . 17 VAL CA C 63.0 0.2 1 64 . 17 VAL CB C 27.3 0.2 1 65 . 17 VAL N N 121.1 0.1 1 66 . 18 GLU H H 7.39 0.02 1 67 . 18 GLU CA C 56.8 0.2 1 68 . 18 GLU CB C 27.3 0.2 1 69 . 18 GLU N N 114.4 0.1 1 70 . 19 ALA H H 6.82 0.02 1 71 . 19 ALA CA C 51.7 0.2 1 72 . 19 ALA CB C 17.0 0.2 1 73 . 19 ALA N N 119.5 0.1 1 74 . 20 ASP H H 7.53 0.02 1 75 . 20 ASP CA C 51.1 0.2 1 76 . 20 ASP CB C 38.2 0.2 1 77 . 20 ASP N N 115.4 0.1 1 78 . 21 VAL H H 8.72 0.02 1 79 . 21 VAL CA C 65.1 0.2 1 80 . 21 VAL CB C 29.4 0.2 1 81 . 21 VAL N N 129.9 0.1 1 82 . 22 ALA H H 8.51 0.02 1 83 . 22 ALA CA C 52.7 0.2 1 84 . 22 ALA CB C 16.4 0.2 1 85 . 22 ALA N N 121.8 0.1 1 86 . 23 GLY H H 8.03 0.02 1 87 . 23 GLY CA C 45.4 0.2 1 88 . 23 GLY N N 105.6 0.1 1 89 . 24 HIS H H 7.53 0.02 1 90 . 24 HIS CA C 60.5 0.2 1 91 . 24 HIS CB C 26.3 0.2 1 92 . 24 HIS N N 116.0 0.1 1 93 . 25 GLY H H 8.65 0.02 1 94 . 25 GLY CA C 46.0 0.2 1 95 . 25 GLY N N 107.7 0.1 1 96 . 26 GLN H H 7.76 0.02 1 97 . 26 GLN CA C 57.3 0.2 1 98 . 26 GLN CB C 27.8 0.2 1 99 . 26 GLN N N 119.8 0.1 1 100 . 27 ASP H H 7.43 0.02 1 101 . 27 ASP CA C 55.3 0.2 1 102 . 27 ASP CB C 38.7 0.2 1 103 . 27 ASP N N 116.7 0.1 1 104 . 28 ILE H H 8.15 0.02 1 105 . 28 ILE CA C 64.1 0.2 1 106 . 28 ILE CB C 36.1 0.2 1 107 . 28 ILE N N 120.0 0.1 1 108 . 29 LEU H H 7.28 0.02 1 109 . 29 LEU CA C 55.3 0.2 1 110 . 29 LEU CB C 37.7 0.2 1 111 . 29 LEU N N 118.6 0.1 1 112 . 30 ILE H H 7.88 0.02 1 113 . 30 ILE CA C 64.6 0.2 1 114 . 30 ILE CB C 35.1 0.2 1 115 . 30 ILE N N 115.7 0.1 1 116 . 31 ARG H H 7.62 0.02 1 117 . 31 ARG CA C 56.3 0.2 1 118 . 31 ARG CB C 26.8 0.2 1 119 . 31 ARG N N 117.9 0.1 1 120 . 32 LEU H H 7.95 0.02 1 121 . 32 LEU CA C 56.8 0.2 1 122 . 32 LEU CB C 39.7 0.2 1 123 . 32 LEU N N 122.7 0.1 1 124 . 33 PHE H H 7.98 0.02 1 125 . 33 PHE CA C 54.2 0.2 1 126 . 33 PHE CB C 35.6 0.2 1 127 . 33 PHE N N 116.2 0.1 1 128 . 34 LYS H H 8.53 0.02 1 129 . 34 LYS CA C 56.3 0.2 1 130 . 34 LYS CB C 30.9 0.2 1 131 . 34 LYS N N 116.7 0.1 1 132 . 35 SER H H 8.16 0.02 1 133 . 35 SER CA C 62.0 0.2 1 134 . 35 SER CB C 58.9 0.2 1 135 . 35 SER N N 113.0 0.1 1 136 . 36 HIS H H 8.02 0.02 1 137 . 36 HIS N N 117.0 0.1 1 138 . 37 PRO CA C 64.5 0.2 1 139 . 37 PRO CB C 30.2 0.2 1 140 . 38 GLU H H 11.02 0.02 1 141 . 38 GLU CA C 56.8 0.2 1 142 . 38 GLU CB C 25.8 0.2 1 143 . 38 GLU N N 121.7 0.1 1 144 . 39 THR H H 8.74 0.02 1 145 . 39 THR CA C 63.6 0.2 1 146 . 39 THR CB C 68.2 0.2 1 147 . 39 THR N N 113.3 0.1 1 148 . 40 LEU H H 7.28 0.02 1 149 . 40 LEU CA C 55.3 0.2 1 150 . 40 LEU CB C 39.7 0.2 1 151 . 40 LEU N N 123.1 0.1 1 152 . 41 GLU H H 7.22 0.02 1 153 . 41 GLU CA C 56.3 0.2 1 154 . 41 GLU CB C 27.8 0.2 1 155 . 41 GLU N N 113.1 0.1 1 156 . 42 LYS H H 7.73 0.02 1 157 . 42 LYS CA C 53.2 0.2 1 158 . 42 LYS CB C 30.9 0.2 1 159 . 42 LYS N N 113.3 0.1 1 160 . 43 PHE H H 8.27 0.02 1 161 . 43 PHE CA C 54.2 0.2 1 162 . 43 PHE CB C 38.2 0.2 1 163 . 43 PHE N N 118.6 0.1 1 164 . 44 ASP H H 8.81 0.02 1 165 . 44 ASP CA C 56.8 0.2 1 166 . 44 ASP CB C 38.7 0.2 1 167 . 44 ASP N N 126.7 0.1 1 168 . 45 ARG H H 8.95 0.02 1 169 . 45 ARG CA C 55.8 0.2 1 170 . 45 ARG CB C 28.9 0.2 1 171 . 45 ARG N N 114.2 0.1 1 172 . 46 PHE H H 6.93 0.02 1 173 . 46 PHE CA C 53.2 0.2 1 174 . 46 PHE CB C 38.7 0.2 1 175 . 46 PHE N N 112.3 0.1 1 176 . 47 LYS H H 7.58 0.02 1 177 . 47 LYS CA C 56.8 0.2 1 178 . 47 LYS CB C 29.4 0.2 1 179 . 47 LYS N N 116.5 0.1 1 180 . 48 HIS H H 8.29 0.02 1 181 . 48 HIS CA C 54.2 0.2 1 182 . 48 HIS CB C 27.8 0.2 1 183 . 48 HIS N N 116.3 0.1 1 184 . 49 LEU H H 7.56 0.02 1 185 . 49 LEU CA C 52.2 0.2 1 186 . 49 LEU CB C 39.2 0.2 1 187 . 49 LEU N N 123.7 0.1 1 188 . 50 LYS H H 8.20 0.02 1 189 . 50 LYS CA C 55.3 0.2 1 190 . 50 LYS CB C 32.5 0.2 1 191 . 50 LYS N N 119.1 0.1 1 192 . 51 THR H H 7.52 0.02 1 193 . 51 THR N N 107.0 0.1 1 194 . 52 GLU CA C 57.9 0.2 1 195 . 52 GLU CB C 27.3 0.2 1 196 . 53 ALA H H 8.31 0.02 1 197 . 53 ALA CA C 53.7 0.2 1 198 . 53 ALA CB C 16.4 0.2 1 199 . 53 ALA N N 120.0 0.1 1 200 . 54 GLU H H 7.67 0.02 1 201 . 54 GLU CA C 57.3 0.2 1 202 . 54 GLU CB C 28.3 0.2 1 203 . 54 GLU N N 117.9 0.1 1 204 . 55 MET H H 8.30 0.02 1 205 . 55 MET CA C 58.4 0.2 1 206 . 55 MET CB C 30.9 0.2 1 207 . 55 MET N N 118.9 0.1 1 208 . 56 LYS H H 8.49 0.02 1 209 . 56 LYS CA C 56.8 0.2 1 210 . 56 LYS CB C 30.4 0.2 1 211 . 56 LYS N N 118.3 0.1 1 212 . 57 ALA H H 7.08 0.02 1 213 . 57 ALA CA C 50.1 0.2 1 214 . 57 ALA CB C 17.5 0.2 1 215 . 57 ALA N N 117.3 0.1 1 216 . 58 SER H H 6.80 0.02 1 217 . 58 SER CA C 55.8 0.2 1 218 . 58 SER CB C 60.8 0.2 1 219 . 58 SER N N 110.9 0.1 1 220 . 59 GLU H H 9.11 0.02 1 221 . 59 GLU CA C 56.8 0.2 1 222 . 59 GLU CB C 27.3 0.2 1 223 . 59 GLU N N 104.7 0.1 1 224 . 60 ASP H H 8.30 0.02 1 225 . 60 ASP CA C 55.8 0.2 1 226 . 60 ASP CB C 39.2 0.2 1 227 . 60 ASP N N 118.9 0.1 1 228 . 61 LEU H H 8.13 0.02 1 229 . 61 LEU CA C 55.8 0.2 1 230 . 61 LEU CB C 38.7 0.2 1 231 . 61 LEU N N 122.0 0.1 1 232 . 62 LYS H H 7.17 0.02 1 233 . 62 LYS CA C 57.9 0.2 1 234 . 62 LYS CB C 30.4 0.2 1 235 . 62 LYS N N 119.1 0.1 1 236 . 63 LYS H H 8.10 0.02 1 237 . 63 LYS CA C 57.9 0.2 1 238 . 63 LYS CB C 30.9 0.2 1 239 . 63 LYS N N 117.6 0.1 1 240 . 64 PHE H H 8.10 0.02 1 241 . 64 PHE CA C 59.4 0.2 1 242 . 64 PHE CB C 37.7 0.2 1 243 . 64 PHE N N 121.1 0.1 1 244 . 65 GLY H H 8.23 0.02 1 245 . 65 GLY CA C 45.4 0.2 1 246 . 65 GLY N N 106.2 0.2 1 247 . 66 VAL H H 7.10 0.02 1 248 . 66 VAL CA C 64.6 0.2 1 249 . 66 VAL CB C 29.4 0.2 1 250 . 66 VAL N N 119.1 0.1 1 251 . 67 THR H H 7.64 0.02 1 252 . 67 THR CA C 65.6 0.2 1 253 . 67 THR CB C 66.7 0.2 1 254 . 67 THR N N 122.5 0.1 1 255 . 68 VAL H H 7.34 0.02 1 256 . 68 VAL CA C 64.6 0.2 1 257 . 68 VAL CB C 29.4 0.2 1 258 . 68 VAL N N 121.7 0.1 1 259 . 69 LEU H H 7.88 0.02 1 260 . 69 LEU CA C 55.8 0.2 1 261 . 69 LEU CB C 38.7 0.2 1 262 . 69 LEU N N 116.0 0.1 1 263 . 70 THR H H 8.68 0.02 1 264 . 70 THR CA C 66.7 0.2 1 265 . 70 THR CB C 65.6 0.2 1 266 . 70 THR N N 117.3 0.1 1 267 . 71 ALA H H 7.71 0.02 1 268 . 71 ALA CA C 53.2 0.2 1 269 . 71 ALA CB C 17.5 0.2 1 270 . 71 ALA N N 124.7 0.1 1 271 . 72 LEU H H 8.45 0.02 1 272 . 72 LEU CA C 55.8 0.2 1 273 . 72 LEU CB C 39.7 0.2 1 274 . 72 LEU N N 118.0 0.1 1 275 . 73 GLY H H 9.00 0.02 1 276 . 73 GLY CA C 45.9 0.2 1 277 . 73 GLY N N 107.4 0.2 1 278 . 74 ALA H H 7.65 0.02 1 279 . 74 ALA CA C 52.7 0.2 1 280 . 74 ALA CB C 15.9 0.2 1 281 . 74 ALA N N 121.3 0.1 1 282 . 75 ILE H H 7.22 0.02 1 283 . 75 ILE CA C 63.6 0.2 1 284 . 75 ILE CB C 36.6 0.2 1 285 . 75 ILE N N 116.2 0.1 1 286 . 76 LEU H H 8.53 0.02 1 287 . 76 LEU CA C 56.3 0.2 1 288 . 76 LEU CB C 39.2 0.2 1 289 . 76 LEU N N 121.6 0.1 1 290 . 77 LYS H H 7.87 0.02 1 291 . 77 LYS CA C 57.3 0.2 1 292 . 77 LYS CB C 30.9 0.2 1 293 . 77 LYS N N 113.2 0.1 1 294 . 78 LYS H H 7.26 0.02 1 295 . 78 LYS CA C 52.7 0.2 1 296 . 78 LYS CB C 28.3 0.2 1 297 . 78 LYS N N 114.6 0.1 1 298 . 79 LYS H H 7.93 0.02 1 299 . 79 LYS CA C 53.7 0.2 1 300 . 79 LYS CB C 27.3 0.2 1 301 . 79 LYS N N 120.0 0.1 1 302 . 80 GLY H H 9.31 0.02 1 303 . 80 GLY CA C 42.8 0.2 1 304 . 80 GLY N N 105.2 0.1 1 305 . 81 HIS H H 7.36 0.02 1 306 . 81 HIS CA C 52.2 0.2 1 307 . 81 HIS CB C 24.7 0.2 1 308 . 81 HIS N N 122.0 0.1 1 309 . 82 HIS H H 6.81 0.02 1 310 . 82 HIS CA C 52.7 0.2 1 311 . 82 HIS CB C 30.9 0.2 1 312 . 82 HIS N N 114.1 0.1 1 313 . 83 GLU H H 8.77 0.02 1 314 . 83 GLU CA C 59.4 0.2 1 315 . 83 GLU CB C 27.3 0.2 1 316 . 83 GLU N N 123.7 0.1 1 317 . 84 ALA H H 8.49 0.02 1 318 . 84 ALA CA C 53.7 0.2 1 319 . 84 ALA CB C 17.5 0.2 1 320 . 84 ALA N N 118.3 0.1 1 321 . 85 GLU H H 8.37 0.02 1 322 . 85 GLU CA C 57.9 0.2 1 323 . 85 GLU CB C 27.8 0.2 1 324 . 85 GLU N N 117.6 0.1 1 325 . 86 LEU H H 8.54 0.02 1 326 . 86 LEU CA C 55.3 0.2 1 327 . 86 LEU CB C 41.3 0.2 1 328 . 86 LEU N N 118.3 0.1 1 329 . 87 LYS H H 7.66 0.02 1 330 . 87 LYS N N 117.7 0.1 1 331 . 88 PRO CA C 63.6 0.2 1 332 . 88 PRO CB C 28.9 0.2 1 333 . 89 LEU H H 6.32 0.02 1 334 . 89 LEU CA C 54.8 0.2 1 335 . 89 LEU CB C 40.3 0.2 1 336 . 89 LEU N N 119.5 0.1 1 337 . 90 ALA H H 8.40 0.02 1 338 . 90 ALA CA C 53.2 0.2 1 339 . 90 ALA CB C 17.0 0.2 1 340 . 90 ALA N N 120.9 0.1 1 341 . 91 GLN H H 7.87 0.02 1 342 . 91 GLN CA C 57.9 0.2 1 343 . 91 GLN CB C 26.3 0.2 1 344 . 91 GLN N N 114.4 0.1 1 345 . 92 SER H H 7.93 0.02 1 346 . 92 SER CA C 59.9 0.2 1 347 . 92 SER N N 115.2 0.1 1 348 . 93 HIS H H 7.61 0.02 1 349 . 93 HIS CA C 59.9 0.2 1 350 . 93 HIS CB C 23.7 0.2 1 351 . 93 HIS N N 121.2 0.1 1 352 . 94 ALA H H 7.76 0.02 1 353 . 94 ALA CA C 52.2 0.2 1 354 . 94 ALA CB C 16.9 0.2 1 355 . 94 ALA N N 119.3 0.1 1 356 . 95 THR H H 6.40 0.02 1 357 . 95 THR CA C 68.2 0.2 1 358 . 95 THR CB C 61.5 0.2 1 359 . 95 THR N N 130.3 0.1 1 360 . 96 LYS H H 6.95 0.02 1 361 . 96 LYS CA C 55.3 0.2 1 362 . 96 LYS CB C 30.4 0.2 1 363 . 96 LYS N N 120.6 0.1 1 364 . 97 HIS H H 7.17 0.02 1 365 . 97 HIS CA C 53.1 0.2 1 366 . 97 HIS CB C 27.2 0.2 1 367 . 97 HIS N N 114.0 0.1 1 368 . 98 LYS H H 6.24 0.02 1 369 . 98 LYS CA C 54.8 0.2 1 370 . 98 LYS CB C 26.8 0.2 1 371 . 98 LYS N N 113.2 0.1 1 372 . 99 ILE H H 7.80 0.02 1 373 . 99 ILE N N 119.9 0.1 1 374 . 100 PRO CA C 60.5 0.2 1 375 . 100 PRO CB C 30.4 0.2 1 376 . 101 ILE H H 9.05 0.02 1 377 . 101 ILE CA C 61.0 0.2 1 378 . 101 ILE CB C 34.6 0.2 1 379 . 101 ILE N N 123.6 0.1 1 380 . 102 LYS H H 8.68 0.02 1 381 . 102 LYS CA C 56.3 0.2 1 382 . 102 LYS CB C 29.9 0.2 1 383 . 102 LYS N N 119.5 0.1 1 384 . 103 TYR H H 7.67 0.02 1 385 . 103 TYR CA C 55.8 0.2 1 386 . 103 TYR CB C 33.5 0.2 1 387 . 103 TYR N N 115.4 0.1 1 388 . 104 LEU H H 8.05 0.02 1 389 . 104 LEU CA C 55.8 0.2 1 390 . 104 LEU CB C 39.2 0.2 1 391 . 104 LEU N N 120.0 0.1 1 392 . 105 GLU H H 8.13 0.02 1 393 . 105 GLU CA C 58.4 0.2 1 394 . 105 GLU CB C 26.3 0.2 1 395 . 105 GLU N N 123.8 0.1 1 396 . 106 PHE H H 7.72 0.02 1 397 . 106 PHE CA C 55.3 0.2 1 398 . 106 PHE CB C 35.1 0.2 1 399 . 106 PHE N N 118.6 0.1 1 400 . 107 ILE H H 8.69 0.02 1 401 . 107 ILE CB C 36.1 0.2 1 402 . 107 ILE N N 119.1 0.1 1 403 . 108 SER H H 7.84 0.02 1 404 . 108 SER CA C 61.0 0.2 1 405 . 108 SER CB C 60.5 0.2 1 406 . 108 SER N N 120.5 0.1 1 407 . 109 GLU H H 7.91 0.02 1 408 . 109 GLU CA C 57.9 0.2 1 409 . 109 GLU CB C 27.8 0.2 1 410 . 109 GLU N N 120.7 0.1 1 411 . 110 ALA H H 7.75 0.02 1 412 . 110 ALA CA C 53.2 0.2 1 413 . 110 ALA CB C 16.4 0.2 1 414 . 110 ALA N N 122.1 0.1 1 415 . 111 ILE H H 8.37 0.02 1 416 . 111 ILE CA C 64.6 0.2 1 417 . 111 ILE CB C 36.1 0.2 1 418 . 111 ILE N N 117.8 0.1 1 419 . 112 ILE H H 7.85 0.02 1 420 . 112 ILE CA C 62.5 0.2 1 421 . 112 ILE CB C 34.6 0.2 1 422 . 112 ILE N N 118.4 0.1 1 423 . 113 HIS H H 8.45 0.02 1 424 . 113 HIS CA C 64.6 0.2 1 425 . 113 HIS CB C 29.4 0.2 1 426 . 113 HIS N N 117.8 0.1 1 427 . 114 VAL H H 8.38 0.02 1 428 . 114 VAL CA C 58.4 0.2 1 429 . 114 VAL CB C 28.3 0.2 1 430 . 114 VAL N N 120.1 0.1 1 431 . 115 LEU H H 8.39 0.02 1 432 . 115 LEU CA C 56.8 0.2 1 433 . 115 LEU CB C 37.7 0.2 1 434 . 115 LEU N N 120.1 0.1 1 435 . 116 HIS H H 8.10 0.02 1 436 . 116 HIS CA C 57.3 0.2 1 437 . 116 HIS CB C 27.3 0.2 1 438 . 116 HIS N N 115.5 0.1 1 439 . 117 SER H H 7.99 0.02 1 440 . 117 SER CA C 61.5 0.2 1 441 . 117 SER CB C 59.4 0.2 1 442 . 117 SER N N 112.6 0.1 1 443 . 118 ARG H H 8.12 0.02 1 444 . 118 ARG CA C 55.8 0.2 1 445 . 118 ARG CB C 29.4 0.2 1 446 . 118 ARG N N 115.5 0.1 1 447 . 119 HIS H H 7.36 0.02 1 448 . 119 HIS N N 114.3 0.1 1 449 . 120 PRO CA C 63.6 0.2 1 450 . 120 PRO CB C 28.9 0.2 1 451 . 121 GLY H H 8.56 0.02 1 452 . 121 GLY CA C 44.4 0.2 1 453 . 121 GLY N N 106.2 0.1 1 454 . 122 ASP H H 7.56 0.02 1 455 . 122 ASP CA C 52.2 0.2 1 456 . 122 ASP CB C 41.3 0.2 1 457 . 122 ASP N N 117.6 0.1 1 458 . 123 PHE H H 8.07 0.02 1 459 . 123 PHE CA C 54.8 0.2 1 460 . 123 PHE CB C 37.7 0.2 1 461 . 123 PHE N N 123.1 0.1 1 462 . 124 GLY H H 7.99 0.02 1 463 . 124 GLY CA C 42.3 0.2 1 464 . 124 GLY N N 109.6 0.1 1 465 . 125 ALA H H 8.50 0.02 1 466 . 125 ALA CA C 54.2 0.2 1 467 . 125 ALA CB C 17.0 0.2 1 468 . 125 ALA N N 120.9 0.1 1 469 . 126 ASP H H 8.60 0.02 1 470 . 126 ASP CA C 54.8 0.2 1 471 . 126 ASP CB C 36.6 0.2 1 472 . 126 ASP N N 117.2 0.1 1 473 . 127 ALA H H 8.23 0.02 1 474 . 127 ALA CA C 53.2 0.2 1 475 . 127 ALA CB C 17.0 0.2 1 476 . 127 ALA N N 126.3 0.1 1 477 . 128 GLN H H 8.54 0.02 1 478 . 128 GLN CA C 57.3 0.2 1 479 . 128 GLN CB C 26.3 0.2 1 480 . 128 GLN N N 118.3 0.1 1 481 . 129 GLY H H 8.06 0.02 1 482 . 129 GLY CA C 45.4 0.2 1 483 . 129 GLY N N 106.8 0.1 1 484 . 130 ALA H H 7.75 0.02 1 485 . 130 ALA CA C 53.7 0.2 1 486 . 130 ALA CB C 17.0 0.2 1 487 . 130 ALA N N 124.3 0.1 1 488 . 131 MET H H 8.53 0.02 1 489 . 131 MET CA C 55.3 0.2 1 490 . 131 MET CB C 29.4 0.2 1 491 . 131 MET N N 116.4 0.1 1 492 . 132 ASN H H 8.73 0.02 1 493 . 132 ASN CA C 55.3 0.2 1 494 . 132 ASN CB C 36.6 0.2 1 495 . 132 ASN N N 117.5 0.1 1 496 . 133 LYS H H 7.88 0.02 1 497 . 133 LYS CA C 58.4 0.2 1 498 . 133 LYS CB C 30.9 0.2 1 499 . 133 LYS N N 120.3 0.1 1 500 . 134 ALA H H 8.40 0.02 1 501 . 134 ALA CA C 53.7 0.2 1 502 . 134 ALA CB C 16.4 0.2 1 503 . 134 ALA N N 122.6 0.1 1 504 . 135 LEU H H 8.45 0.02 1 505 . 135 LEU CA C 55.3 0.2 1 506 . 135 LEU CB C 38.7 0.2 1 507 . 135 LEU N N 116.0 0.1 1 508 . 136 GLU H H 8.45 0.02 1 509 . 136 GLU CA C 58.4 0.2 1 510 . 136 GLU CB C 27.3 0.2 1 511 . 136 GLU N N 123.1 0.1 1 512 . 137 LEU H H 8.31 0.02 1 513 . 137 LEU CA C 56.8 0.2 1 514 . 137 LEU CB C 39.7 0.2 1 515 . 137 LEU N N 121.9 0.1 1 516 . 138 PHE H H 7.87 0.02 1 517 . 138 PHE CA C 58.9 0.2 1 518 . 138 PHE CB C 36.5 0.2 1 519 . 138 PHE N N 118.2 0.1 1 520 . 139 ARG H H 8.46 0.02 1 521 . 139 ARG CA C 58.4 0.2 1 522 . 139 ARG CB C 28.9 0.2 1 523 . 139 ARG N N 116.8 0.1 1 524 . 140 LYS H H 8.76 0.02 1 525 . 140 LYS CA C 57.9 0.2 1 526 . 140 LYS CB C 29.9 0.2 1 527 . 140 LYS N N 121.4 0.1 1 528 . 141 ASP H H 8.46 0.02 1 529 . 141 ASP CA C 55.3 0.2 1 530 . 141 ASP CB C 37.7 0.2 1 531 . 141 ASP N N 122.0 0.1 1 532 . 142 ILE H H 8.28 0.02 1 533 . 142 ILE CA C 63.0 0.2 1 534 . 142 ILE CB C 33.5 0.2 1 535 . 142 ILE N N 122.5 0.1 1 536 . 143 ALA H H 8.14 0.02 1 537 . 143 ALA CA C 53.7 0.2 1 538 . 143 ALA CB C 15.9 0.2 1 539 . 143 ALA N N 122.7 0.1 1 540 . 144 ALA H H 7.67 0.02 1 541 . 144 ALA CA C 53.2 0.2 1 542 . 144 ALA CB C 16.4 0.2 1 543 . 144 ALA N N 120.4 0.1 1 544 . 145 LYS H H 7.50 0.02 1 545 . 145 LYS CA C 55.8 0.2 1 546 . 145 LYS CB C 29.4 0.2 1 547 . 145 LYS N N 119.0 0.1 1 548 . 146 TYR H H 9.02 0.02 1 549 . 146 TYR CA C 58.4 0.2 1 550 . 146 TYR CB C 34.6 0.2 1 551 . 146 TYR N N 121.2 0.1 1 552 . 147 LYS H H 7.62 0.02 1 553 . 147 LYS CA C 57.9 0.2 1 554 . 147 LYS CB C 29.9 0.2 1 555 . 147 LYS N N 117.9 0.1 1 556 . 148 GLU H H 7.60 0.02 1 557 . 148 GLU CA C 57.3 0.2 1 558 . 148 GLU CB C 27.8 0.2 1 559 . 148 GLU N N 120.0 0.1 1 560 . 149 LEU H H 7.69 0.02 1 561 . 149 LEU CA C 53.2 0.2 1 562 . 149 LEU CB C 40.8 0.2 1 563 . 149 LEU N N 117.0 0.1 1 564 . 150 GLY H H 7.73 0.02 1 565 . 150 GLY CA C 43.4 0.2 1 566 . 150 GLY N N 107.0 0.1 1 567 . 151 TYR H H 7.97 0.02 1 568 . 151 TYR CA C 54.8 0.2 1 569 . 151 TYR CB C 37.7 0.2 1 570 . 151 TYR N N 121.2 0.1 1 571 . 152 GLN H H 8.18 0.02 1 572 . 152 GLN CA C 53.7 0.2 1 573 . 152 GLN CB C 27.3 0.2 1 574 . 152 GLN N N 124.8 0.1 1 575 . 153 GLY H H 6.48 0.02 1 576 . 153 GLY N N 113.0 0.1 1 stop_ save_