data_16500 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; (1-119)Apomyoglobin ; _BMRB_accession_number 16500 _BMRB_flat_file_name bmr16500.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 (1-119)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" 112 "13C chemical shifts" 341 "15N chemical shifts" 112 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 16501 (1-153)Apomyoglobin stop_ _Original_release_date 2010-11-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Contribution of long-range interactions to the secondary structure of an unfolded globin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20816043 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fedyukina Daria V. . 2 Rajagopalan Senapathy . . 3 Sekhar Ashok . . 4 Fulmer Eric C. . 5 Eun Ye-Jin . . 6 Cavagnero Silvia . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 99 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first L37 _Page_last L39 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '(1-119)Apomyoglobin pH 2.40' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label (1-119)Apomyoglobin $1-119_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_1-119_Apomyoglobin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common (1-119)Apomyoglobin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MVLSEGEWQLVLHVWAKVEA DVAGHGQDILIRLFKSHPET LEKFDRFKHLKTEAEMKASE DLKKHGVTVLTALGAILKKK GHHEAELKPLAQSHATKHKI PIKYLEFISEAIIHVLHSRH ; 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 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 99.17 153 100.00 100.00 2.24e-76 BMRB 1029 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1200 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1413 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1455 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1457 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1459 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1461 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1463 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1465 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1467 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1469 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 1471 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 15589 Apomyoglobin_(1-77) 64.17 77 100.00 100.00 3.04e-45 BMRB 16217 apomyoglobin 99.17 119 100.00 100.00 2.74e-76 BMRB 16218 apoMb_1-119_fragment 99.17 119 100.00 100.00 2.74e-76 BMRB 16499 1-77_Apomyoglobin 65.00 78 100.00 100.00 3.37e-46 BMRB 16501 (1-153)Apomyoglobin 100.00 154 100.00 100.00 3.01e-77 BMRB 1752 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2345 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2346 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2347 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2348 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2431 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2432 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2433 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 2434 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 291 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 292 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 293 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 40 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 4061 apomyoglobin 100.00 154 100.00 100.00 3.01e-77 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 3.01e-77 BMRB 426 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 4568 myoglobin 99.17 153 100.00 100.00 2.24e-76 BMRB 4676 "unfolded myoglobin" 99.17 153 100.00 100.00 2.24e-76 BMRB 4695 myoglobin 99.17 153 99.16 99.16 2.87e-75 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.17 99.17 2.76e-76 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 99.17 99.17 2.55e-76 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.17 99.17 2.55e-76 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 99.17 153 100.00 100.00 2.24e-76 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 99.17 153 100.00 100.00 2.24e-76 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 99.17 99.17 1.27e-76 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.17 99.17 1.27e-76 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 99.17 99.17 1.27e-76 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.59e-77 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.59e-77 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.59e-77 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.59e-77 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 99.17 151 100.00 100.00 1.73e-76 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 99.17 151 100.00 100.00 2.12e-76 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 99.17 151 100.00 100.00 2.12e-76 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 99.17 151 100.00 100.00 2.12e-76 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 100.00 100.00 2.59e-77 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 99.17 153 100.00 100.00 2.24e-76 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 99.17 153 100.00 100.00 2.24e-76 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 99.17 153 100.00 100.00 2.24e-76 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 99.17 153 100.00 100.00 2.24e-76 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 99.17 153 100.00 100.00 2.24e-76 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 99.17 153 100.00 100.00 2.24e-76 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 99.17 153 100.00 100.00 2.24e-76 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 99.17 99.17 2.85e-76 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 99.17 99.17 7.61e-77 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 99.17 99.17 2.44e-76 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 99.17 99.17 4.26e-76 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 99.17 99.17 2.39e-76 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 99.17 99.17 1.30e-76 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 99.17 99.17 1.39e-76 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 99.17 100.00 4.36e-77 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 99.17 99.17 1.42e-76 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 99.17 100.00 7.05e-77 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 99.17 99.17 1.90e-76 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 99.17 99.17 7.61e-77 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 99.17 99.17 2.44e-76 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 99.17 153 100.00 100.00 2.24e-76 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 99.17 154 99.16 99.16 2.09e-75 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 99.17 154 99.16 99.16 2.09e-75 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 99.17 154 99.16 99.16 2.09e-75 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 99.17 154 99.16 99.16 2.09e-75 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 99.17 99.17 2.61e-76 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 99.17 153 99.16 99.16 3.50e-75 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 99.17 153 99.16 99.16 3.50e-75 PDB 1DXC "Co Complex Of Myoglobin Mb-Yqr At 100k" 100.00 154 97.50 97.50 3.50e-75 PDB 1DXD "Photolyzed Co Complex Of Myoglobin Mb-Yqr At 20k" 100.00 154 97.50 97.50 3.50e-75 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 99.17 153 100.00 100.00 2.24e-76 PDB 1F63 "Crystal Structure Of Deoxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.50 97.50 3.50e-75 PDB 1F65 "Crystal Structure Of Oxy Sperm Whale Myoglobin Mutant Y(B10)q(E7)r(E10)" 100.00 154 97.50 97.50 3.50e-75 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 99.17 153 100.00 100.00 2.24e-76 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 98.33 98.33 3.86e-75 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.33 98.33 8.75e-76 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 99.17 153 100.00 100.00 2.24e-76 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 99.17 99.17 3.86e-76 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 100.00 100.00 2.59e-77 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 99.17 99.17 7.61e-77 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 99.17 153 100.00 100.00 2.24e-76 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 99.17 153 100.00 100.00 2.24e-76 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 99.17 153 100.00 100.00 2.24e-76 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 99.17 153 100.00 100.00 2.24e-76 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 100.00 100.00 2.59e-77 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 99.17 153 100.00 100.00 2.24e-76 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 99.17 99.17 2.44e-76 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" 100.00 154 98.33 98.33 8.20e-76 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 99.17 153 100.00 100.00 2.24e-76 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 99.17 153 100.00 100.00 2.24e-76 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 99.17 153 100.00 100.00 2.24e-76 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 98.33 98.33 5.24e-76 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 99.17 100.00 6.82e-77 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.27e-76 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.27e-76 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 99.17 1.27e-76 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 4.13e-77 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 4.13e-77 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 4.13e-77 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 8.77e-77 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 8.77e-77 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 99.17 100.00 8.77e-77 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 98.33 98.33 9.55e-76 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.17 99.17 7.61e-77 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.79e-76 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.58e-76 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.58e-76 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.17 99.17 1.97e-76 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.76e-76 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.76e-76 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 99.17 153 100.00 100.00 2.24e-76 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 99.17 99.17 2.76e-76 PDB 1MYZ "Co Complex Of Myoglobin Mb-yqr At Rt Solved From Laue Data." 100.00 154 97.50 97.50 3.50e-75 PDB 1MZ0 "Structure Of Myoglobin Mb-yqr 316 Ns After Photolysis Of Carbon Monoxide Solved From Laue Data At Rt" 100.00 154 97.50 97.50 3.50e-75 PDB 1N9F "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.50 97.50 3.50e-75 PDB 1N9H "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss6a)" 100.00 154 97.50 97.50 3.50e-75 PDB 1N9I "Structure Of Earth-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.50 97.50 3.50e-75 PDB 1N9X "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.50 97.50 3.50e-75 PDB 1NAZ "Structure Of Microgravity-Grown Oxidized Myoglobin Mutant Yqr (Iss8a)" 100.00 154 97.50 97.50 3.50e-75 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 98.33 98.33 1.32e-75 PDB 1OBM "Recombinant Sperm Whale Myoglobin 29f64Q68F122N MUTANT (Met)" 100.00 154 97.50 97.50 2.09e-75 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 98.33 98.33 1.37e-74 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 98.33 98.33 1.64e-74 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 99.17 153 100.00 100.00 2.24e-76 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 99.17 153 100.00 100.00 2.24e-76 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 100.00 100.00 2.59e-77 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 99.17 153 100.00 100.00 2.24e-76 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 99.17 153 100.00 100.00 2.24e-76 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 100.00 100.00 3.01e-77 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 1VXA "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXB "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXC "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXD "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXE "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXF "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXG "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1VXH "Native Sperm Whale Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 99.17 153 99.16 99.16 2.44e-75 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 99.17 153 100.00 100.00 2.24e-76 PDB 1YOH "Cobalt Myoglobin (Met)" 99.17 153 100.00 100.00 2.24e-76 PDB 1YOI "Cobalt Myoglobin (Oxy)" 99.17 153 100.00 100.00 2.24e-76 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 99.17 153 99.16 99.16 2.03e-75 PDB 2BLI "L29w Mb Deoxy" 99.17 153 99.16 99.16 2.03e-75 PDB 2BLJ "Structure Of L29w Mbco" 99.17 153 99.16 99.16 2.03e-75 PDB 2BW9 "Laue Structure Of L29w Mbco" 99.17 153 99.16 99.16 2.03e-75 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 99.17 153 99.16 99.16 2.03e-75 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 99.17 153 100.00 100.00 2.24e-76 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 99.17 153 100.00 100.00 2.24e-76 PDB 2E2Y "Crystal Structure Of F43wH64DV68I MYOGLOBIN" 100.00 154 97.50 99.17 4.49e-75 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 3.01e-77 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 100.00 100.00 3.01e-77 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 99.17 99.17 1.04e-76 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 99.17 153 100.00 100.00 2.24e-76 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 99.17 153 100.00 100.00 2.24e-76 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 99.17 153 99.16 99.16 3.50e-75 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 99.17 153 99.16 99.16 3.50e-75 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 99.17 99.17 7.61e-77 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 99.17 99.17 7.61e-77 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 99.17 99.17 7.61e-77 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 99.17 99.17 7.61e-77 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 99.17 99.17 7.61e-77 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 99.17 99.17 7.61e-77 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 99.17 99.17 7.61e-77 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 99.17 99.17 7.61e-77 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 99.17 99.17 7.61e-77 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 3.01e-77 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 98.33 153 100.00 100.00 9.45e-76 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 100.00 100.00 2.59e-77 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.79e-76 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.79e-76 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 4.60e-76 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 4.60e-76 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 4.60e-76 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 1.30e-76 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 1.30e-76 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 1.30e-76 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.58e-76 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 4.26e-76 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.59e-77 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.59e-77 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.59e-77 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.17 153 100.00 100.00 2.24e-76 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.17 153 100.00 100.00 2.24e-76 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.17 153 100.00 100.00 2.24e-76 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 99.17 153 100.00 100.00 2.24e-76 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 99.17 153 100.00 100.00 2.24e-76 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 99.17 99.17 4.08e-76 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 99.17 99.17 4.26e-76 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 100.00 100.00 3.40e-77 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 99.17 99.17 4.08e-76 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.17 99.17 7.61e-77 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.17 99.17 7.61e-77 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.17 99.17 7.61e-77 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 99.17 100.00 7.05e-77 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 100.00 100.00 3.01e-77 PDB 2W6Y "Crystal Structure Of Sperm Whale Myoglobin Mutant Yqr In Complex With Xenon" 100.00 154 97.50 97.50 5.47e-75 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 99.17 153 100.00 100.00 2.24e-76 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 99.17 99.17 2.31e-76 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 100.00 100.00 2.59e-77 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 99.17 153 100.00 100.00 2.24e-76 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 99.17 153 100.00 100.00 2.24e-76 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 99.17 153 100.00 100.00 2.24e-76 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 99.17 153 100.00 100.00 2.24e-76 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 99.17 153 100.00 100.00 2.24e-76 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 99.17 153 100.00 100.00 2.24e-76 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 98.33 98.33 3.50e-75 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 98.33 98.33 3.50e-75 PDB 3K9Z "Rational Design Of A Structural And Functional Nitric Oxide Reductase" 99.17 153 97.48 97.48 1.48e-72 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" 99.17 153 98.32 98.32 6.93e-74 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 99.17 99.17 5.98e-76 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 99.17 153 99.16 99.16 3.35e-75 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 99.17 99.17 5.98e-76 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 99.17 99.17 1.08e-75 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 100.00 100.00 3.01e-77 PDB 4FWX "Aquoferric F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin)" 99.17 153 97.48 98.32 2.77e-73 PDB 4FWY "F33y Cub Myoglobin (F33y L29h F43h Sperm Whale Myoglobin) With Copper Bound" 99.17 153 97.48 98.32 2.77e-73 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 99.17 153 98.32 98.32 1.29e-73 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 99.17 99.17 4.17e-76 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 99.17 99.17 4.17e-76 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 99.17 99.17 5.60e-76 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 98.33 99.17 1.45e-75 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 99.17 153 100.00 100.00 2.24e-76 PDB 4MXK "X-ray Structure Of Fe(ii)-znpixfebmb1" 99.17 153 97.48 97.48 1.48e-72 PDB 4MXL "X-ray Structure Of Znpfebmb1" 99.17 153 97.48 97.48 1.48e-72 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 100.00 100.00 3.01e-77 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 100.00 100.00 3.01e-77 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 99.17 153 99.16 99.16 7.35e-76 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.17 99.17 2.08e-76 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 100.00 100.00 3.01e-77 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 99.17 99.17 3.74e-76 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 98.33 98.33 1.03e-74 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 99.17 99.17 8.29e-76 PDB 4QAU "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" 100.00 154 99.17 100.00 7.78e-77 PDB 5C6Y "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" 100.00 154 98.33 99.17 1.45e-75 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 99.17 153 100.00 100.00 2.24e-76 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 3.01e-77 DBJ BAF03582 "myoglobin [Kogia breviceps]" 100.00 154 97.50 99.17 1.82e-75 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 100.00 100.00 2.59e-77 PRF 742482A myoglobin 99.17 153 100.00 100.00 1.94e-76 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 3.01e-77 SP P02184 "RecName: Full=Myoglobin" 100.00 154 97.50 99.17 1.82e-75 SP P02185 "RecName: Full=Myoglobin" 100.00 154 100.00 100.00 3.01e-77 SP Q0KIY5 "RecName: Full=Myoglobin" 100.00 154 97.50 99.17 1.82e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $1-119_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 $1-119_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 $1-119_Apomyoglobin 280 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 (1-119)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 178.527 . 1 2 0 1 MET CA C 55.119 . 1 3 1 2 VAL H H 8.608 . 1 4 1 2 VAL C C 175.478 . 1 5 1 2 VAL CA C 62.314 . 1 6 1 2 VAL CB C 32.984 . 1 7 1 2 VAL N N 123.76 . 1 8 2 3 LEU H H 8.469 . 1 9 2 3 LEU C C 177.072 . 1 10 2 3 LEU CA C 54.969 . 1 11 2 3 LEU CB C 42.638 . 1 12 2 3 LEU N N 127.166 . 1 13 3 4 SER H H 8.283 . 1 14 3 4 SER C C 174.574 . 1 15 3 4 SER CA C 58.032 . 1 16 3 4 SER CB C 63.923 . 1 17 3 4 SER N N 117.094 . 1 18 4 5 GLU H H 8.512 . 1 19 4 5 GLU C C 176.801 . 1 20 4 5 GLU CA C 56.67 . 1 21 4 5 GLU CB C 28.631 . 1 22 4 5 GLU N N 122.172 . 1 23 5 6 GLY H H 8.435 . 1 24 5 6 GLY C C 174.659 . 1 25 5 6 GLY CA C 45.789 . 1 26 5 6 GLY N N 108.837 . 1 27 6 7 GLU H H 8.115 . 1 28 6 7 GLU C C 176.527 . 1 29 6 7 GLU CA C 56.644 . 1 30 6 7 GLU CB C 28.698 . 1 31 6 7 GLU N N 120.223 . 1 32 7 8 TRP H H 8.185 . 1 33 7 8 TRP C C 176.57 . 1 34 7 8 TRP CA C 58.043 . 1 35 7 8 TRP CB C 29.464 . 1 36 7 8 TRP N N 121.087 . 1 37 8 9 GLN H H 8.101 . 1 38 8 9 GLN C C 176.138 . 1 39 8 9 GLN CA C 56.71 . 1 40 8 9 GLN CB C 29.276 . 1 41 8 9 GLN N N 119.752 . 1 42 9 10 LEU H H 7.879 . 1 43 9 10 LEU C C 177.596 . 1 44 9 10 LEU CA C 56.098 . 1 45 9 10 LEU CB C 42.306 . 1 46 9 10 LEU N N 121.838 . 1 47 10 11 VAL H H 7.947 . 1 48 10 11 VAL C C 176.184 . 1 49 10 11 VAL CA C 63.006 . 1 50 10 11 VAL N N 120.742 . 1 51 11 12 LEU H H 8.118 . 1 52 11 12 LEU C C 177.261 . 1 53 11 12 LEU CA C 55.584 . 1 54 11 12 LEU CB C 42.233 . 1 55 11 12 LEU N N 123.811 . 1 56 12 13 HIS H H 8.265 . 1 57 12 13 HIS C C 174.393 . 1 58 12 13 HIS CA C 55.657 . 1 59 12 13 HIS CB C 28.647 . 1 60 12 13 HIS N N 117.859 . 1 61 13 14 VAL H H 7.996 . 1 62 13 14 VAL C C 175.856 . 1 63 13 14 VAL CA C 62.769 . 1 64 13 14 VAL CB C 33.007 . 1 65 13 14 VAL N N 120.798 . 1 66 14 15 TRP H H 8.259 . 1 67 14 15 TRP CA C 57.445 . 1 68 14 15 TRP CB C 29.749 . 1 69 14 15 TRP N N 124.37 . 1 70 15 16 ALA C C 177.366 . 1 71 15 16 ALA CA C 52.628 . 1 72 15 16 ALA CB C 19.878 . 1 73 16 17 LYS H H 8.051 . 1 74 16 17 LYS C C 176.77 . 1 75 16 17 LYS CA C 56.726 . 1 76 16 17 LYS CB C 32.92 . 1 77 16 17 LYS N N 120.318 . 1 78 17 18 VAL H H 8.069 . 1 79 17 18 VAL C C 176.357 . 1 80 17 18 VAL CA C 62.583 . 1 81 17 18 VAL CB C 32.895 . 1 82 17 18 VAL N N 121.219 . 1 83 18 19 GLU H H 8.359 . 1 84 18 19 GLU CA C 55.9 . 1 85 18 19 GLU CB C 28.846 . 1 86 18 19 GLU N N 123.665 . 1 87 19 20 ALA C C 177.511 . 1 88 19 20 ALA CA C 52.817 . 1 89 19 20 ALA CB C 19.411 . 1 90 20 21 ASP H H 8.351 . 1 91 20 21 ASP C C 175.328 . 1 92 20 21 ASP CA C 53.124 . 1 93 20 21 ASP CB C 38.153 . 1 94 20 21 ASP N N 117.807 . 1 95 21 22 VAL H H 8.007 . 1 96 21 22 VAL C C 176.033 . 1 97 21 22 VAL CA C 62.456 . 1 98 21 22 VAL CB C 32.754 . 1 99 21 22 VAL N N 120.267 . 1 100 22 23 ALA H H 8.32 . 1 101 22 23 ALA C C 178.249 . 1 102 22 23 ALA CA C 52.882 . 1 103 22 23 ALA CB C 19.127 . 1 104 22 23 ALA N N 126.909 . 1 105 23 24 GLY H H 8.283 . 1 106 23 24 GLY C C 174.243 . 1 107 23 24 GLY CA C 45.527 . 1 108 23 24 GLY N N 107.736 . 1 109 24 25 HIS H H 8.374 . 1 110 24 25 HIS C C 175.016 . 1 111 24 25 HIS CA C 55.414 . 1 112 24 25 HIS CB C 28.992 . 1 113 24 25 HIS N N 117.696 . 1 114 25 26 GLY H H 8.543 . 1 115 25 26 GLY C C 174.177 . 1 116 25 26 GLY CA C 45.689 . 1 117 25 26 GLY N N 109.752 . 1 118 26 27 GLN H H 8.338 . 1 119 26 27 GLN C C 175.893 . 1 120 26 27 GLN CA C 56.171 . 1 121 26 27 GLN CB C 29.613 . 1 122 26 27 GLN N N 119.752 . 1 123 27 28 ASP H H 8.55 . 1 124 27 28 ASP C C 175.247 . 1 125 27 28 ASP CA C 53.449 . 1 126 27 28 ASP CB C 38.198 . 1 127 27 28 ASP N N 120.211 . 1 128 28 29 ILE H H 8.065 . 1 129 28 29 ILE C C 176.017 . 1 130 28 29 ILE CA C 61.585 . 1 131 28 29 ILE CB C 38.481 . 1 132 28 29 ILE N N 121.146 . 1 133 29 30 LEU H H 8.134 . 1 134 29 30 LEU C C 177.201 . 1 135 29 30 LEU CA C 55.571 . 1 136 29 30 LEU CB C 42.167 . 1 137 29 30 LEU N N 125.229 . 1 138 30 31 ILE H H 8.019 . 1 139 30 31 ILE C C 176.232 . 1 140 30 31 ILE CA C 61.47 . 1 141 30 31 ILE CB C 38.587 . 1 142 30 31 ILE N N 121.788 . 1 143 31 32 ARG H H 8.198 . 1 144 31 32 ARG C C 176.045 . 1 145 31 32 ARG CA C 56.356 . 1 146 31 32 ARG N N 124.271 . 1 147 32 33 LEU H H 8.103 . 1 148 32 33 LEU C C 177.033 . 1 149 32 33 LEU CA C 55.243 . 1 150 32 33 LEU CB C 42.528 . 1 151 32 33 LEU N N 122.972 . 1 152 33 34 PHE H H 8.219 . 1 153 33 34 PHE C C 175.667 . 1 154 33 34 PHE CA C 57.751 . 1 155 33 34 PHE CB C 39.625 . 1 156 33 34 PHE N N 121.003 . 1 157 34 35 LYS H H 8.187 . 1 158 34 35 LYS C C 176.169 . 1 159 34 35 LYS CA C 56.285 . 1 160 34 35 LYS CB C 33.154 . 1 161 34 35 LYS N N 122.75 . 1 162 35 36 SER H H 8.168 . 1 163 35 36 SER C C 173.861 . 1 164 35 36 SER CA C 58.304 . 1 165 35 36 SER CB C 63.91 . 1 166 35 36 SER N N 116.485 . 1 167 36 37 HIS H H 8.484 . 1 168 36 37 HIS CA C 53.48 . 1 169 36 37 HIS CB C 28.78 . 1 170 36 37 HIS N N 120.219 . 1 171 37 38 PRO C C 177.06 . 1 172 37 38 PRO CA C 63.408 . 1 173 37 38 PRO CB C 32.118 . 1 174 38 39 GLU H H 8.626 . 1 175 38 39 GLU C C 176.352 . 1 176 38 39 GLU CA C 56.065 . 1 177 38 39 GLU CB C 28.981 . 1 178 38 39 GLU N N 121.158 . 1 179 39 40 THR H H 8.247 . 1 180 39 40 THR C C 174.401 . 1 181 39 40 THR CA C 62.209 . 1 182 39 40 THR CB C 69.745 . 1 183 39 40 THR N N 116.417 . 1 184 40 41 LEU H H 8.269 . 1 185 40 41 LEU C C 177.28 . 1 186 40 41 LEU CA C 55.438 . 1 187 40 41 LEU CB C 42.369 . 1 188 40 41 LEU N N 124.871 . 1 189 41 42 GLU H H 8.297 . 1 190 41 42 GLU C C 176.134 . 1 191 41 42 GLU CA C 56.16 . 1 192 41 42 GLU CB C 28.84 . 1 193 41 42 GLU N N 121.411 . 1 194 42 43 LYS H H 8.221 . 1 195 42 43 LYS C C 176.378 . 1 196 42 43 LYS CA C 56.733 . 1 197 42 43 LYS CB C 32.983 . 1 198 42 43 LYS N N 122.069 . 1 199 43 44 PHE H H 8.172 . 1 200 43 44 PHE C C 175.532 . 1 201 43 44 PHE CA C 57.893 . 1 202 43 44 PHE CB C 39.654 . 1 203 43 44 PHE N N 120.75 . 1 204 44 45 ASP H H 8.37 . 1 205 44 45 ASP C C 175.483 . 1 206 44 45 ASP CA C 53.202 . 1 207 44 45 ASP CB C 38.75 . 1 208 44 45 ASP N N 121.261 . 1 209 45 46 ARG H H 8.149 . 1 210 45 46 ARG C C 176.225 . 1 211 45 46 ARG CA C 57.009 . 1 212 45 46 ARG CB C 30.423 . 1 213 45 46 ARG N N 121.93 . 1 214 46 47 PHE H H 7.994 . 1 215 46 47 PHE C C 175.797 . 1 216 46 47 PHE CA C 57.813 . 1 217 46 47 PHE CB C 39.178 . 1 218 46 47 PHE N N 119.384 . 1 219 47 48 LYS H H 7.98 . 1 220 47 48 LYS C C 176.216 . 1 221 47 48 LYS CA C 56.642 . 1 222 47 48 LYS CB C 33.101 . 1 223 47 48 LYS N N 121.53 . 1 224 48 49 HIS H H 8.444 . 1 225 48 49 HIS C C 174.326 . 1 226 48 49 HIS CA C 55.309 . 1 227 48 49 HIS CB C 28.851 . 1 228 48 49 HIS N N 119.459 . 1 229 49 50 LEU H H 8.275 . 1 230 49 50 LEU C C 177.414 . 1 231 49 50 LEU CA C 55.381 . 1 232 49 50 LEU CB C 42.597 . 1 233 49 50 LEU N N 123.792 . 1 234 50 51 LYS H H 8.402 . 1 235 50 51 LYS C C 176.861 . 1 236 50 51 LYS CA C 56.67 . 1 237 50 51 LYS CB C 33.214 . 1 238 50 51 LYS N N 122.611 . 1 239 51 52 THR H H 8.076 . 1 240 51 52 THR C C 174.887 . 1 241 51 52 THR CA C 61.851 . 1 242 51 52 THR CB C 70.027 . 1 243 51 52 THR N N 115.158 . 1 244 52 53 GLU H H 8.501 . 1 245 52 53 GLU C C 176.595 . 1 246 52 53 GLU CA C 56.9 . 1 247 52 53 GLU CB C 28.661 . 1 248 52 53 GLU N N 122.473 . 1 249 53 54 ALA H H 8.344 . 1 250 53 54 ALA C C 178.662 . 1 251 53 54 ALA CA C 53.511 . 1 252 53 54 ALA CB C 18.939 . 1 253 53 54 ALA N N 124.067 . 1 254 54 55 GLU H H 8.145 . 1 255 54 55 GLU C C 177.023 . 1 256 54 55 GLU CA C 56.533 . 1 257 54 55 GLU CB C 28.767 . 1 258 54 55 GLU N N 119.095 . 1 259 55 56 MET H H 8.336 . 1 260 55 56 MET C C 176.907 . 1 261 55 56 MET CA C 56.441 . 1 262 55 56 MET CB C 32.764 . 1 263 55 56 MET N N 121.625 . 1 264 56 57 LYS H H 8.265 . 1 265 56 57 LYS C C 176.935 . 1 266 56 57 LYS CA C 57.079 . 1 267 56 57 LYS CB C 32.88 . 1 268 56 57 LYS N N 122.239 . 1 269 57 58 ALA H H 8.22 . 1 270 57 58 ALA C C 178.461 . 1 271 57 58 ALA CA C 53.22 . 1 272 57 58 ALA CB C 19.178 . 1 273 57 58 ALA N N 124.4 . 1 274 58 59 SER H H 8.182 . 1 275 58 59 SER C C 175.143 . 1 276 58 59 SER CA C 59.051 . 1 277 58 59 SER CB C 63.676 . 1 278 58 59 SER N N 114.488 . 1 279 59 60 GLU H H 8.223 . 1 280 59 60 GLU C C 176.11 . 1 281 59 60 GLU CA C 56.371 . 1 282 59 60 GLU CB C 28.772 . 1 283 59 60 GLU N N 121.716 . 1 284 60 61 ASP H H 8.372 . 1 285 60 61 ASP C C 175.375 . 1 286 60 61 ASP CA C 53.437 . 1 287 60 61 ASP CB C 38.331 . 1 288 60 61 ASP N N 119.661 . 1 289 61 62 LEU H H 8.101 . 1 290 61 62 LEU C C 177.505 . 1 291 61 62 LEU CA C 55.622 . 1 292 61 62 LEU CB C 42.308 . 1 293 61 62 LEU N N 122.659 . 1 294 62 63 LYS H H 8.123 . 1 295 62 63 LYS CA C 56.36 . 1 296 62 63 LYS CB C 32.893 . 1 297 62 63 LYS N N 121.34 . 1 298 63 64 LYS C C 176.41 . 1 299 63 64 LYS CA C 56.379 . 1 300 63 64 LYS CB C 38.709 . 1 301 64 65 HIS H H 8.529 . 1 302 64 65 HIS C C 174.742 . 1 303 64 65 HIS CA C 55.315 . 1 304 64 65 HIS CB C 29.314 . 1 305 64 65 HIS N N 119.712 . 1 306 65 66 GLY H H 8.467 . 1 307 65 66 GLY C C 173.79 . 1 308 65 66 GLY CA C 45.34 . 1 309 65 66 GLY N N 110.524 . 1 310 66 67 VAL H H 8.14 . 1 311 66 67 VAL C C 176.373 . 1 312 66 67 VAL CA C 62.162 . 1 313 66 67 VAL CB C 33.148 . 1 314 66 67 VAL N N 119.558 . 1 315 67 68 THR H H 8.382 . 1 316 67 68 THR C C 174.215 . 1 317 67 68 THR CA C 62.209 . 1 318 67 68 THR CB C 69.878 . 1 319 67 68 THR N N 119.988 . 1 320 68 69 VAL H H 8.314 . 1 321 68 69 VAL C C 175.869 . 1 322 68 69 VAL CA C 62.265 . 1 323 68 69 VAL CB C 32.981 . 1 324 68 69 VAL N N 124.398 . 1 325 69 70 LEU H H 8.42 . 1 326 69 70 LEU C C 177.495 . 1 327 69 70 LEU CA C 55.218 . 1 328 69 70 LEU CB C 42.434 . 1 329 69 70 LEU N N 126.722 . 1 330 70 71 THR H H 8.106 . 1 331 70 71 THR C C 174.281 . 1 332 70 71 THR CA C 61.926 . 1 333 70 71 THR CB C 69.85 . 1 334 70 71 THR N N 115.649 . 1 335 71 72 ALA H H 8.347 . 1 336 71 72 ALA C C 177.896 . 1 337 71 72 ALA CA C 52.736 . 1 338 71 72 ALA CB C 19.14 . 1 339 71 72 ALA N N 126.604 . 1 340 72 73 LEU H H 8.216 . 1 341 72 73 LEU C C 178.227 . 1 342 72 73 LEU CA C 55.803 . 1 343 72 73 LEU CB C 42.342 . 1 344 72 73 LEU N N 121.534 . 1 345 73 74 GLY H H 8.344 . 1 346 73 74 GLY C C 174.225 . 1 347 73 74 GLY CA C 45.72 . 1 348 73 74 GLY N N 108.94 . 1 349 74 75 ALA H H 8.041 . 1 350 74 75 ALA C C 178.133 . 1 351 74 75 ALA CA C 52.927 . 1 352 74 75 ALA CB C 19.238 . 1 353 74 75 ALA N N 123.534 . 1 354 75 76 ILE H H 8.022 . 1 355 75 76 ILE C C 176.62 . 1 356 75 76 ILE CA C 61.6 . 1 357 75 76 ILE CB C 38.489 . 1 358 75 76 ILE N N 120.021 . 1 359 76 77 LEU H H 8.214 . 1 360 76 77 LEU C C 177.466 . 1 361 76 77 LEU CA C 55.434 . 1 362 76 77 LEU CB C 42.242 . 1 363 76 77 LEU N N 125.641 . 1 364 77 78 LYS H H 8.175 . 1 365 77 78 LYS CA C 56.463 . 1 366 77 78 LYS N N 122.256 . 1 367 78 79 LYS C C 176.68 . 1 368 78 79 LYS CA C 56.459 . 1 369 79 80 LYS H H 8.341 . 1 370 79 80 LYS C C 177.087 . 1 371 79 80 LYS CA C 56.571 . 1 372 79 80 LYS CB C 33.266 . 1 373 79 80 LYS N N 122.794 . 1 374 80 81 GLY H H 8.37 . 1 375 80 81 GLY C C 173.568 . 1 376 80 81 GLY CA C 45.24 . 1 377 80 81 GLY N N 109.736 . 1 378 81 82 HIS H H 8.422 . 1 379 81 82 HIS C C 174.108 . 1 380 81 82 HIS CA C 55.171 . 1 381 81 82 HIS CB C 29.411 . 1 382 81 82 HIS N N 118.061 . 1 383 82 83 HIS H H 8.679 . 1 384 82 83 HIS C C 174.027 . 1 385 82 83 HIS CA C 55.364 . 1 386 82 83 HIS CB C 29.277 . 1 387 82 83 HIS N N 121.043 . 1 388 83 84 GLU H H 8.52 . 1 389 83 84 GLU C C 175.362 . 1 390 83 84 GLU CA C 55.635 . 1 391 83 84 GLU CB C 29.295 . 1 392 83 84 GLU N N 123.225 . 1 393 84 85 ALA H H 8.458 . 1 394 84 85 ALA C C 177.332 . 1 395 84 85 ALA CA C 52.491 . 1 396 84 85 ALA CB C 19.388 . 1 397 84 85 ALA N N 126.085 . 1 398 85 86 GLU H H 8.356 . 1 399 85 86 GLU C C 175.755 . 1 400 85 86 GLU CA C 55.523 . 1 401 85 86 GLU CB C 29.086 . 1 402 85 86 GLU N N 120.223 . 1 403 86 87 LEU H H 8.332 . 1 404 86 87 LEU C C 176.937 . 1 405 86 87 LEU CA C 55.032 . 1 406 86 87 LEU CB C 42.446 . 1 407 86 87 LEU N N 124.675 . 1 408 87 88 LYS H H 8.334 . 1 409 87 88 LYS CA C 54.138 . 1 410 87 88 LYS CB C 32.621 . 1 411 87 88 LYS N N 123.987 . 1 412 88 89 PRO C C 176.877 . 1 413 88 89 PRO CA C 62.916 . 1 414 88 89 PRO CB C 32.213 . 1 415 89 90 LEU H H 8.349 . 1 416 89 90 LEU C C 177.373 . 1 417 89 90 LEU CA C 55.176 . 1 418 89 90 LEU CB C 42.503 . 1 419 89 90 LEU N N 122.972 . 1 420 90 91 ALA H H 8.333 . 1 421 90 91 ALA C C 177.655 . 1 422 90 91 ALA CA C 52.545 . 1 423 90 91 ALA CB C 19.387 . 1 424 90 91 ALA N N 125.415 . 1 425 91 92 GLN H H 8.372 . 1 426 91 92 GLN C C 176.017 . 1 427 91 92 GLN CA C 55.65 . 1 428 91 92 GLN CB C 29.758 . 1 429 91 92 GLN N N 119.986 . 1 430 92 93 SER H H 8.36 . 1 431 92 93 SER C C 174.476 . 1 432 92 93 SER CA C 58.314 . 1 433 92 93 SER CB C 63.831 . 1 434 92 93 SER N N 117.241 . 1 435 93 94 HIS H H 8.601 . 1 436 93 94 HIS C C 173.958 . 1 437 93 94 HIS CA C 55.064 . 1 438 93 94 HIS CB C 29.117 . 1 439 93 94 HIS N N 120.592 . 1 440 94 95 ALA H H 8.344 . 1 441 94 95 ALA C C 177.767 . 1 442 94 95 ALA CA C 52.583 . 1 443 94 95 ALA CB C 19.377 . 1 444 94 95 ALA N N 125.328 . 1 445 95 96 THR H H 8.275 . 1 446 95 96 THR C C 174.356 . 1 447 95 96 THR CA C 61.822 . 1 448 95 96 THR CB C 69.96 . 1 449 95 96 THR N N 115.106 . 1 450 96 97 LYS H H 8.382 . 1 451 96 97 LYS C C 176.201 . 1 452 96 97 LYS CA C 56.214 . 1 453 96 97 LYS CB C 33.173 . 1 454 96 97 LYS N N 124.243 . 1 455 97 98 HIS H H 8.564 . 1 456 97 98 HIS C C 174.023 . 1 457 97 98 HIS CA C 54.958 . 1 458 97 98 HIS CB C 29.428 . 1 459 97 98 HIS N N 120.429 . 1 460 98 99 LYS H H 8.508 . 1 461 98 99 LYS C C 176.09 . 1 462 98 99 LYS CA C 56.356 . 1 463 98 99 LYS CB C 33.194 . 1 464 98 99 LYS N N 124.208 . 1 465 99 100 ILE H H 8.319 . 1 466 99 100 ILE CA C 58.631 . 1 467 99 100 ILE CB C 38.83 . 1 468 99 100 ILE N N 125.015 . 1 469 100 101 PRO C C 177.464 . 1 470 100 101 PRO CA C 62.993 . 1 471 100 101 PRO CB C 33.045 . 1 472 101 102 ILE H H 8.176 . 1 473 101 102 ILE C C 176.234 . 1 474 101 102 ILE CA C 61.491 . 1 475 101 102 ILE CB C 38.778 . 1 476 101 102 ILE N N 122.005 . 1 477 102 103 LYS H H 8.265 . 1 478 102 103 LYS C C 176.1 . 1 479 102 103 LYS CA C 56.497 . 1 480 102 103 LYS CB C 33.1 . 1 481 102 103 LYS N N 124.871 . 1 482 103 104 TYR H H 8.112 . 1 483 103 104 TYR C C 175.614 . 1 484 103 104 TYR CA C 58.085 . 1 485 103 104 TYR CB C 38.824 . 1 486 103 104 TYR N N 121.815 . 1 487 104 105 LEU H H 8.09 . 1 488 104 105 LEU C C 176.941 . 1 489 104 105 LEU CA C 55.3 . 1 490 104 105 LEU CB C 42.383 . 1 491 104 105 LEU N N 123.558 . 1 492 105 106 GLU H H 8.094 . 1 493 105 106 GLU C C 175.586 . 1 494 105 106 GLU CA C 56.047 . 1 495 105 106 GLU CB C 28.946 . 1 496 105 106 GLU N N 120.564 . 1 497 106 107 PHE H H 8.164 . 1 498 106 107 PHE C C 175.618 . 1 499 106 107 PHE CA C 57.911 . 1 500 106 107 PHE CB C 39.558 . 1 501 106 107 PHE N N 121.194 . 1 502 107 108 ILE H H 8.01 . 1 503 107 108 ILE C C 175.96 . 1 504 107 108 ILE CA C 61.13 . 1 505 107 108 ILE CB C 38.952 . 1 506 107 108 ILE N N 122.845 . 1 507 108 109 SER H H 8.218 . 1 508 108 109 SER C C 174.737 . 1 509 108 109 SER CA C 58.491 . 1 510 108 109 SER CB C 63.734 . 1 511 108 109 SER N N 119.308 . 1 512 109 110 GLU H H 8.326 . 1 513 109 110 GLU C C 175.793 . 1 514 109 110 GLU CA C 56.031 . 1 515 109 110 GLU CB C 28.793 . 1 516 109 110 GLU N N 122.457 . 1 517 110 111 ALA H H 8.176 . 1 518 110 111 ALA C C 177.72 . 1 519 110 111 ALA CA C 52.869 . 1 520 110 111 ALA CB C 19.058 . 1 521 110 111 ALA N N 124.501 . 1 522 111 112 ILE H H 7.975 . 1 523 111 112 ILE C C 176.191 . 1 524 111 112 ILE CA C 61.215 . 1 525 111 112 ILE CB C 38.525 . 1 526 111 112 ILE N N 119.962 . 1 527 112 113 ILE H H 8.058 . 1 528 112 113 ILE C C 176.092 . 1 529 112 113 ILE CA C 61.148 . 1 530 112 113 ILE CB C 38.6 . 1 531 112 113 ILE N N 124.461 . 1 532 113 114 HIS H H 8.56 . 1 533 113 114 HIS C C 174.156 . 1 534 113 114 HIS CA C 55.126 . 1 535 113 114 HIS CB C 29.028 . 1 536 113 114 HIS N N 122.806 . 1 537 114 115 VAL H H 8.184 . 1 538 114 115 VAL C C 175.833 . 1 539 114 115 VAL CA C 62.439 . 1 540 114 115 VAL CB C 33.045 . 1 541 114 115 VAL N N 122.301 . 1 542 115 116 LEU H H 8.371 . 1 543 115 116 LEU C C 177.091 . 1 544 115 116 LEU CA C 55.215 . 1 545 115 116 LEU CB C 42.575 . 1 546 115 116 LEU N N 126.16 . 1 547 116 117 HIS H H 8.557 . 1 548 116 117 HIS C C 174.279 . 1 549 116 117 HIS CA C 55.091 . 1 550 116 117 HIS CB C 28.981 . 1 551 116 117 HIS N N 119.372 . 1 552 117 118 SER H H 8.317 . 1 553 117 118 SER C C 174.207 . 1 554 117 118 SER CA C 58.352 . 1 555 117 118 SER CB C 63.89 . 1 556 117 118 SER N N 117.194 . 1 557 118 119 ARG H H 8.437 . 1 558 118 119 ARG C C 175.697 . 1 559 118 119 ARG CA C 56.309 . 1 560 118 119 ARG CB C 30.959 . 1 561 118 119 ARG N N 122.964 . 1 562 119 120 HIS H H 8.41 . 1 563 119 120 HIS CA C 55.638 . 1 564 119 120 HIS CB C 29.451 . 1 565 119 120 HIS N N 122.22 . 1 stop_ save_