data_5158 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational and Dynamic Characterization of the Molten Globule state of an Apomyoglobin Mutant with an altered Folding Pathway ; _BMRB_accession_number 5158 _BMRB_flat_file_name bmr5158.str _Entry_type original _Submission_date 2001-09-25 _Accession_date 2001-09-25 _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 Cavagnero Silvia . . 2 Nishimura Chiaki . . 3 Schwarzinger Stephan . . 4 Dyson 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" 137 "13C chemical shifts" 287 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-01-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4695 'myoglobin H64F mutant' stop_ _Original_release_date 2002-01-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational and Dynamic Characterization of the Molten Globule State of an Apomyoglobin Mutant with an Altered Folding Pathway ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21581530 _PubMed_ID 11724558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cavagnero Silvia . . 2 Nishimura Chiaki . . 3 Schwarzinger Stephan . . 4 Dyson H. Jane . 5 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 40 _Journal_issue 48 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14459 _Page_last 14467 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_apoMb(GG) _Saveframe_category molecular_system _Mol_system_name 'apomyoglobin N132G,E136G mutant' _Abbreviation_common apoMb(GG) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apoMb GG mutant' $apoMb stop_ _System_molecular_weight . _System_physical_state 'molten globule' _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apoMb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apomyoglobin _Name_variant N132G,E136G _Abbreviation_common apoMb _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKHGVTVLTALGAILKKKG HHEAELKPLAQSHATKHKIP IKYLEFISEAIIHVLHSRHP GDFGADAQGAMGKALGLFRK 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 HIS 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 GLY 133 LYS 134 ALA 135 LEU 136 GLY 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 2015-01-28 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 98.69 98.69 2.03e-101 BMRB 1029 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1200 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1413 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1455 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1457 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1459 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1461 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1463 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1465 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1467 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1469 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 1471 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 15589 Apomyoglobin_(1-77) 50.33 77 100.00 100.00 6.44e-45 BMRB 16217 apomyoglobin 77.78 119 100.00 100.00 2.61e-76 BMRB 16218 apoMb_1-119_fragment 77.78 119 100.00 100.00 2.61e-76 BMRB 16499 1-77_Apomyoglobin 50.33 78 100.00 100.00 5.69e-45 BMRB 16500 (1-119)Apomyoglobin 77.78 120 100.00 100.00 2.98e-76 BMRB 16501 (1-153)Apomyoglobin 100.00 154 98.69 98.69 2.10e-101 BMRB 1752 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2345 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2346 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2347 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2348 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2431 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2432 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2433 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 2434 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 291 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 292 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 293 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 40 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 4061 apoMb 100.00 154 98.69 98.69 2.10e-101 BMRB 4062 apoMb 100.00 154 98.69 98.69 2.10e-101 BMRB 426 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 4568 apoMb 100.00 153 98.69 98.69 2.03e-101 BMRB 4676 apoMb 100.00 153 98.69 98.69 2.03e-101 BMRB 4695 Mb 100.00 153 98.04 98.04 3.37e-100 BMRB 823 myoglobin 100.00 153 98.69 98.69 2.03e-101 BMRB 824 myoglobin 100.00 153 98.69 98.69 2.03e-101 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 97.39 98.04 7.57e-100 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 97.39 98.04 8.26e-100 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 97.39 98.04 8.26e-100 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 100.00 153 98.69 98.69 2.03e-101 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 100.00 153 98.69 98.69 2.03e-101 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 97.39 98.04 4.68e-100 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 97.39 98.04 4.68e-100 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 97.39 98.04 4.68e-100 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 7.15e-101 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 7.15e-101 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 7.15e-101 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 98.04 98.69 7.15e-101 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 98.69 151 98.01 98.68 2.93e-99 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 98.69 151 98.68 98.68 1.03e-99 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 98.69 151 98.68 98.68 1.03e-99 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 98.69 151 98.68 98.68 1.03e-99 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 98.04 98.69 7.15e-101 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 100.00 153 98.69 98.69 2.03e-101 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 100.00 153 98.69 98.69 2.03e-101 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 100.00 153 98.69 98.69 2.03e-101 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 100.00 153 98.69 98.69 2.03e-101 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 100.00 153 98.69 98.69 2.03e-101 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 98.69 98.69 2.03e-101 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 98.69 98.69 2.03e-101 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 97.39 98.04 1.32e-99 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 97.39 98.04 2.38e-100 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 97.39 98.04 6.02e-100 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 97.39 98.04 1.29e-99 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 97.39 98.04 9.21e-100 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 97.39 98.04 5.05e-100 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 97.39 98.04 4.20e-100 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 97.39 98.69 1.19e-100 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 97.39 98.04 4.29e-100 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 97.39 98.69 1.83e-100 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 97.39 98.04 5.28e-100 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 97.39 98.04 2.38e-100 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 97.39 98.04 6.02e-100 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 100.00 153 98.69 98.69 2.03e-101 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 100.00 154 97.39 98.04 8.17e-100 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 100.00 154 97.39 98.04 8.17e-100 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 100.00 154 97.39 98.04 8.17e-100 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 100.00 154 97.39 98.04 8.17e-100 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 97.39 98.04 1.02e-99 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 100.00 153 98.04 98.04 6.15e-100 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 100.00 153 98.04 98.04 6.15e-100 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 100.00 153 98.69 98.69 2.03e-101 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 100.00 153 98.69 98.69 2.03e-101 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 153 98.69 98.69 2.03e-101 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 98.04 98.04 5.22e-100 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.04 98.04 1.07e-100 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 98.04 98.69 7.15e-101 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 97.39 98.04 2.38e-100 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 100.00 153 98.69 98.69 2.03e-101 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 100.00 153 98.69 98.69 2.03e-101 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 98.69 98.69 2.03e-101 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 98.69 98.69 2.03e-101 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 98.04 98.69 7.15e-101 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." 100.00 153 98.69 98.69 2.03e-101 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" 100.00 154 97.39 98.04 6.02e-100 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 100.00 153 98.69 98.69 2.03e-101 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 98.69 98.69 2.03e-101 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 100.00 153 98.69 98.69 2.03e-101 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 97.39 97.39 5.40e-100 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 97.39 98.69 2.43e-100 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 3.49e-100 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 3.49e-100 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 3.49e-100 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 4.68e-100 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 4.68e-100 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.04 4.68e-100 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 1.14e-100 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 1.14e-100 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 1.14e-100 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 2.54e-100 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 2.54e-100 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 97.39 98.69 2.54e-100 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 97.39 98.04 2.38e-100 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.77e-99 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 6.57e-100 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 6.57e-100 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 97.39 98.04 5.58e-100 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 97.39 98.04 7.57e-100 PDB 1MTK "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 97.39 98.04 7.57e-100 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 100.00 153 98.69 98.69 2.03e-101 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 97.39 98.04 7.57e-100 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 100.00 153 98.69 98.69 2.03e-101 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 98.69 98.69 2.03e-101 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 98.04 98.69 7.15e-101 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" 100.00 153 98.69 98.69 2.03e-101 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" 100.00 153 98.69 98.69 2.03e-101 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.04 98.04 1.07e-100 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 98.69 98.69 2.10e-101 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" 100.00 154 98.04 98.04 1.07e-100 PDB 1VXA "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXB "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXC "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXD "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXE "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXF "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXG "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1VXH "Native Sperm Whale Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 100.00 153 98.04 98.04 2.51e-100 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 100.00 153 98.69 98.69 2.03e-101 PDB 1YOH "Cobalt Myoglobin (Met)" 100.00 153 98.69 98.69 2.03e-101 PDB 1YOI "Cobalt Myoglobin (Oxy)" 100.00 153 98.69 98.69 2.03e-101 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 100.00 153 97.39 98.04 7.90e-100 PDB 2BLI "L29w Mb Deoxy" 100.00 153 97.39 98.04 7.90e-100 PDB 2BLJ "Structure Of L29w Mbco" 100.00 153 97.39 98.04 7.90e-100 PDB 2BW9 "Laue Structure Of L29w Mbco" 100.00 153 97.39 98.04 7.90e-100 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 100.00 153 97.39 98.04 7.90e-100 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 100.00 153 98.69 98.69 2.03e-101 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 100.00 153 98.69 98.69 2.03e-101 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 98.69 98.69 2.10e-101 PDB 2EB9 "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" 100.00 154 98.69 98.69 2.10e-101 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 98.04 98.04 1.07e-100 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" 100.00 153 98.69 98.69 2.03e-101 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" 100.00 153 98.69 98.69 2.03e-101 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 98.04 98.04 6.15e-100 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" 100.00 153 98.04 98.04 6.15e-100 PDB 2G0R "Unphotolyzed Co-bound L29f Myoglobin" 100.00 154 97.39 98.04 2.38e-100 PDB 2G0S "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" 100.00 154 97.39 98.04 2.38e-100 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 97.39 98.04 2.38e-100 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 97.39 98.04 2.38e-100 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 97.39 98.04 2.38e-100 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 97.39 98.04 2.38e-100 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 97.39 98.04 2.38e-100 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 97.39 98.04 2.38e-100 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 97.39 98.04 2.38e-100 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 98.69 98.69 2.10e-101 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 99.35 153 98.68 98.68 1.64e-100 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 98.04 98.69 7.15e-101 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.77e-99 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.77e-99 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.13e-99 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.13e-99 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.13e-99 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 5.05e-100 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 5.05e-100 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 5.05e-100 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 6.57e-100 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 97.39 98.04 1.29e-99 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.04 98.69 7.15e-101 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.04 98.69 7.15e-101 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.04 98.69 7.15e-101 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 98.69 98.69 2.03e-101 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 98.69 98.69 2.03e-101 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 98.69 98.69 2.03e-101 PDB 2MYD "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 100.00 153 98.69 98.69 2.03e-101 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 98.69 98.69 2.03e-101 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 97.39 98.04 1.11e-99 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 97.39 98.04 1.13e-99 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 97.39 98.69 4.78e-100 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 97.39 98.04 1.11e-99 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 97.39 98.04 2.38e-100 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 97.39 98.04 2.38e-100 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 97.39 98.04 2.38e-100 PDB 2SPO "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 97.39 98.69 1.83e-100 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 98.69 98.69 2.10e-101 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" 100.00 153 98.69 98.69 2.03e-101 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 3A2G "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" 100.00 154 98.04 98.04 1.38e-100 PDB 3ASE "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" 100.00 154 98.04 98.69 7.15e-101 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 100.00 153 98.69 98.69 2.03e-101 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 100.00 153 98.69 98.69 2.03e-101 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 100.00 153 98.69 98.69 2.03e-101 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 100.00 153 98.69 98.69 2.03e-101 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 100.00 153 98.69 98.69 2.03e-101 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 100.00 153 98.69 98.69 2.03e-101 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 100.00 153 98.69 98.69 2.03e-101 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 97.39 97.39 5.90e-99 PDB 3NML "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" 100.00 154 97.39 98.04 1.94e-99 PDB 3O89 "Crystal Structure Of Sperm Whale Myoglobin G65t" 100.00 153 98.04 98.04 1.75e-100 PDB 3OGB "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" 100.00 154 97.39 98.04 1.94e-99 PDB 3SDN "Structure Of G65i Sperm Whale Myoglobin Mutant" 100.00 154 98.04 98.04 4.78e-100 PDB 3U3E "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 98.69 98.69 2.10e-101 PDB 4FWZ "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" 100.00 153 97.39 97.39 9.96e-99 PDB 4H07 "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" 100.00 154 98.04 98.04 1.91e-100 PDB 4H0B "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" 100.00 154 98.04 98.04 1.91e-100 PDB 4IT8 "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" 100.00 154 98.04 98.04 3.85e-100 PDB 4LPI "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" 100.00 154 97.39 98.04 1.18e-99 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 98.69 98.69 2.03e-101 PDB 4NXA "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" 100.00 154 98.69 98.69 2.10e-101 PDB 4NXC "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" 100.00 154 98.69 98.69 2.10e-101 PDB 4OF9 "Structure Of K42n Variant Of Sperm Whale Myoglobin" 100.00 153 98.04 98.04 7.30e-101 PDB 4OOD "Structure Of K42y Mutant Of Sperm Whale Myoglobin" 100.00 154 98.04 98.04 1.42e-100 PDB 4PNJ "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" 100.00 154 98.69 98.69 2.10e-101 PDB 4PQ6 "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" 100.00 154 98.04 98.04 2.86e-100 PDB 4PQB "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" 100.00 154 97.39 97.39 5.12e-99 PDB 4PQC "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" 100.00 154 98.04 98.04 5.11e-100 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 98.69 98.69 2.03e-101 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 98.69 98.69 2.10e-101 GB AAA72199 "synthetic myoglobin [synthetic construct]" 100.00 154 98.04 98.69 7.15e-101 PRF 742482A myoglobin 100.00 153 98.04 98.69 6.91e-101 REF NP_001277651 "myoglobin [Physeter catodon]" 100.00 154 98.69 98.69 2.10e-101 SP P02185 "RecName: Full=Myoglobin [Physeter catodon]" 100.00 154 98.69 98.69 2.10e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apoMb 'sperm whale' 9755 Eukaryota Metazoa Physeter catodon stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $apoMb 'recombinant technology' . . . . . 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 $apoMb 0.3 mM 0.2 0.4 '[U-13C; U-15N]' ethanol 10 % . . [U-2H] H2O 90 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details ; Deuterated ethanol was added to a total concentration of 10% v/v in order to prevent aggregation during the NMR experiments (see Eliezer et al., 2000). ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.1 0.1 na temperature 323 1 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 H2O H 1 protons ppm 4.50 internal direct cylindrical internal parallel 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_ _Experiment_label HNCA HN(CO)CA HNCO (HCA)CO(CA)NH CBCA(CO)NH HNCACB stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'apoMb GG 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 62.40 0.05 . 2 . 1 VAL C C 175.12 0.05 . 3 . 2 LEU H H 8.15 0.02 . 4 . 2 LEU N N 125.50 0.05 . 5 . 2 LEU CA C 54.70 0.05 . 6 . 2 LEU C C 176.71 0.05 . 7 . 3 SER H H 8.34 0.02 . 8 . 3 SER N N 116.90 0.05 . 9 . 3 SER CA C 57.90 0.05 . 10 . 3 SER C C 174.84 0.05 . 11 . 4 GLU H H 8.69 0.02 . 12 . 4 GLU N N 122.00 0.05 . 13 . 4 GLU CA C 58.80 0.05 . 14 . 4 GLU C C 178.08 0.05 . 15 . 5 GLY H H 8.46 0.02 . 16 . 5 GLY N N 107.00 0.05 . 17 . 5 GLY CA C 46.50 0.05 . 18 . 5 GLY C C 176.00 0.05 . 19 . 6 GLU H H 7.90 0.02 . 20 . 6 GLU N N 121.30 0.05 . 21 . 6 GLU CA C 58.60 0.05 . 22 . 6 GLU C C 177.80 0.05 . 23 . 7 TRP CA C 59.60 0.05 . 24 . 7 TRP C C 177.40 0.05 . 25 . 8 GLN H H 8.03 0.02 . 26 . 8 GLN N N 116.50 0.05 . 27 . 8 GLN CA C 58.80 0.05 . 28 . 8 GLN C C 178.00 0.05 . 29 . 9 LEU H H 7.51 0.02 . 30 . 9 LEU N N 120.00 0.05 . 31 . 9 LEU CA C 57.90 0.05 . 32 . 9 LEU C C 178.65 0.05 . 33 . 10 VAL H H 7.84 0.02 . 34 . 10 VAL N N 118.80 0.05 . 35 . 10 VAL CA C 66.10 0.05 . 36 . 11 LEU H H 8.00 0.02 . 37 . 11 LEU N N 119.00 0.05 . 38 . 11 LEU CA C 57.50 0.05 . 39 . 11 LEU C C 178.85 0.05 . 40 . 12 HIS H H 7.92 0.02 . 41 . 12 HIS N N 116.30 0.05 . 42 . 12 HIS CA C 58.00 0.05 . 43 . 12 HIS C C 176.36 0.05 . 44 . 13 VAL H H 8.00 0.02 . 45 . 13 VAL N N 119.00 0.05 . 46 . 13 VAL CA C 65.20 0.05 . 47 . 13 VAL C C 177.10 0.05 . 48 . 14 TRP H H 8.33 0.02 . 49 . 14 TRP N N 121.20 0.05 . 50 . 14 TRP CA C 59.30 0.05 . 51 . 14 TRP C C 178.00 0.05 . 52 . 15 ALA H H 7.95 0.02 . 53 . 15 ALA N N 120.00 0.05 . 54 . 15 ALA CA C 54.10 0.05 . 55 . 15 ALA C C 178.82 0.05 . 56 . 16 LYS H H 7.57 0.02 . 57 . 16 LYS N N 117.10 0.05 . 58 . 16 LYS CA C 57.60 0.05 . 59 . 16 LYS C C 177.50 0.05 . 60 . 17 VAL H H 7.80 0.02 . 61 . 17 VAL N N 118.10 0.05 . 62 . 17 VAL CA C 64.00 0.05 . 63 . 17 VAL C C 176.90 0.05 . 64 . 18 GLU H H 8.06 0.02 . 65 . 18 GLU N N 120.30 0.05 . 66 . 18 GLU CA C 57.40 0.05 . 67 . 18 GLU C C 176.54 0.05 . 68 . 19 ALA H H 7.72 0.02 . 69 . 19 ALA N N 121.60 0.05 . 70 . 19 ALA CA C 53.30 0.05 . 71 . 19 ALA C C 177.98 0.05 . 72 . 20 ASP H H 7.95 0.02 . 73 . 20 ASP N N 117.90 0.05 . 74 . 20 ASP CA C 54.70 0.05 . 75 . 20 ASP C C 176.71 0.05 . 76 . 21 VAL H H 7.81 0.02 . 77 . 21 VAL N N 118.70 0.05 . 78 . 21 VAL CA C 63.30 0.05 . 79 . 21 VAL C C 176.37 0.05 . 80 . 22 ALA H H 8.05 0.02 . 81 . 22 ALA N N 124.10 0.05 . 82 . 22 ALA CA C 53.10 0.05 . 83 . 22 ALA C C 178.35 0.05 . 84 . 23 GLY H H 8.07 0.02 . 85 . 23 GLY N N 106.40 0.05 . 86 . 23 GLY CA C 45.70 0.05 . 87 . 23 GLY C C 174.57 0.05 . 88 . 24 HIS H H 8.21 0.02 . 89 . 24 HIS N N 117.20 0.05 . 90 . 24 HIS CA C 55.80 0.05 . 91 . 24 HIS C C 175.15 0.05 . 92 . 25 GLY H H 8.50 0.02 . 93 . 25 GLY N N 108.70 0.05 . 94 . 25 GLY CA C 46.20 0.05 . 95 . 25 GLY C C 174.63 0.05 . 96 . 26 GLN H H 8.28 0.02 . 97 . 26 GLN N N 119.30 0.05 . 98 . 26 GLN CA C 57.70 0.05 . 99 . 26 GLN C C 176.44 0.05 . 100 . 27 ASP H H 8.24 0.02 . 101 . 27 ASP N N 119.10 0.05 . 102 . 27 ASP CA C 56.10 0.05 . 103 . 27 ASP C C 177.54 0.05 . 104 . 28 ILE H H 7.72 0.02 . 105 . 28 ILE N N 119.10 0.05 . 106 . 28 ILE CA C 63.40 0.05 . 107 . 28 ILE C C 176.92 0.05 . 108 . 29 LEU H H 7.66 0.02 . 109 . 29 LEU N N 120.60 0.05 . 110 . 29 LEU CA C 57.50 0.05 . 111 . 29 LEU C C 178.11 0.05 . 112 . 30 ILE H H 7.72 0.02 . 113 . 30 ILE N N 117.50 0.05 . 114 . 30 ILE CA C 64.00 0.05 . 115 . 30 ILE C C 177.65 0.05 . 116 . 31 ARG H H 7.62 0.02 . 117 . 31 ARG N N 118.90 0.05 . 118 . 31 ARG CA C 58.80 0.05 . 119 . 31 ARG C C 178.45 0.05 . 120 . 32 LEU H H 7.85 0.02 . 121 . 32 LEU N N 120.10 0.05 . 122 . 32 LEU CA C 57.20 0.05 . 123 . 32 LEU C C 178.29 0.05 . 124 . 33 PHE H H 7.98 0.02 . 125 . 33 PHE N N 117.30 0.05 . 126 . 33 PHE CA C 58.80 0.05 . 127 . 33 PHE C C 176.72 0.05 . 128 . 34 LYS H H 7.86 0.02 . 129 . 34 LYS N N 118.30 0.05 . 130 . 34 LYS CA C 58.00 0.05 . 131 . 34 LYS C C 177.14 0.05 . 132 . 35 SER H H 7.81 0.02 . 133 . 35 SER N N 112.80 0.05 . 134 . 35 SER CA C 59.20 0.05 . 135 . 35 SER C C 173.12 0.05 . 136 . 36 HIS H H 8.10 0.02 . 137 . 36 HIS N N 118.50 0.05 . 138 . 36 HIS CA C 53.90 0.05 . 139 . 36 HIS C C 172.55 0.05 . 140 . 37 PRO CA C 64.80 0.05 . 141 . 37 PRO C C 177.61 0.05 . 142 . 38 GLU H H 9.38 0.02 . 143 . 38 GLU N N 120.50 0.05 . 144 . 38 GLU CA C 58.10 0.05 . 145 . 38 GLU C C 177.43 0.05 . 146 . 39 THR H H 7.99 0.02 . 147 . 39 THR N N 114.90 0.05 . 148 . 39 THR CA C 64.10 0.05 . 149 . 39 THR C C 175.16 0.05 . 150 . 40 LEU H H 7.66 0.02 . 151 . 40 LEU N N 122.00 0.05 . 152 . 40 LEU CA C 56.60 0.05 . 153 . 40 LEU C C 177.76 0.05 . 154 . 41 GLU H H 7.88 0.02 . 155 . 41 GLU N N 118.60 0.05 . 156 . 41 GLU CA C 57.60 0.05 . 157 . 41 GLU C C 177.44 0.05 . 158 . 42 LYS H H 7.79 0.02 . 159 . 42 LYS N N 119.00 0.05 . 160 . 42 LYS CA C 57.00 0.05 . 161 . 43 PHE CA C 58.60 0.05 . 162 . 43 PHE C C 175.98 0.05 . 163 . 44 ASP H H 8.15 0.02 . 164 . 44 ASP N N 121.00 0.05 . 165 . 44 ASP CA C 55.40 0.05 . 166 . 44 ASP C C 177.04 0.05 . 167 . 45 ARG H H 7.94 0.02 . 168 . 45 ARG N N 119.70 0.05 . 169 . 45 ARG CA C 57.80 0.05 . 170 . 45 ARG C C 176.92 0.05 . 171 . 46 PHE H H 7.89 0.02 . 172 . 46 PHE N N 118.10 0.05 . 173 . 46 PHE CA C 58.70 0.05 . 174 . 46 PHE C C 176.18 0.05 . 175 . 48 HIS CA C 55.80 0.05 . 176 . 48 HIS C C 174.68 0.05 . 177 . 49 LEU H H 7.97 0.02 . 178 . 49 LEU N N 122.20 0.05 . 179 . 49 LEU CA C 55.90 0.05 . 180 . 49 LEU C C 177.40 0.05 . 181 . 50 LYS H H 8.13 0.02 . 182 . 50 LYS N N 121.00 0.05 . 183 . 50 LYS CA C 57.00 0.05 . 184 . 50 LYS C C 176.97 0.05 . 185 . 51 THR H H 7.94 0.02 . 186 . 51 THR N N 113.80 0.05 . 187 . 51 THR CA C 62.80 0.05 . 188 . 51 THR C C 175.29 0.05 . 189 . 52 GLU H H 8.33 0.02 . 190 . 52 GLU N N 121.90 0.05 . 191 . 52 GLU CA C 58.20 0.05 . 192 . 52 GLU C C 177.25 0.05 . 193 . 53 ALA H H 8.10 0.02 . 194 . 53 ALA N N 122.40 0.05 . 195 . 53 ALA CA C 53.90 0.05 . 196 . 53 ALA C C 178.98 0.05 . 197 . 54 GLU H H 7.97 0.02 . 198 . 54 GLU N N 118.40 0.05 . 199 . 54 GLU CA C 57.70 0.05 . 200 . 54 GLU C C 177.60 0.05 . 201 . 55 MET H H 8.09 0.02 . 202 . 55 MET N N 120.10 0.05 . 203 . 55 MET CA C 56.90 0.05 . 204 . 55 MET C C 177.16 0.05 . 205 . 56 LYS H H 8.05 0.02 . 206 . 56 LYS N N 120.90 0.05 . 207 . 56 LYS CA C 57.30 0.05 . 208 . 56 LYS C C 177.06 0.05 . 209 . 57 ALA H H 8.00 0.02 . 210 . 57 ALA N N 123.00 0.05 . 211 . 57 ALA CA C 53.50 0.05 . 212 . 57 ALA C C 178.54 0.05 . 213 . 58 SER H H 7.96 0.02 . 214 . 58 SER N N 113.60 0.05 . 215 . 58 SER CA C 59.70 0.05 . 216 . 58 SER C C 175.55 0.05 . 217 . 59 GLU H H 8.12 0.02 . 218 . 59 GLU N N 122.00 0.05 . 219 . 59 GLU CA C 57.70 0.05 . 220 . 59 GLU C C 177.09 0.05 . 221 . 60 ASP H H 8.16 0.02 . 222 . 60 ASP N N 120.10 0.05 . 223 . 60 ASP CA C 55.50 0.05 . 224 . 60 ASP C C 177.35 0.05 . 225 . 61 LEU H H 7.90 0.02 . 226 . 61 LEU N N 121.50 0.05 . 227 . 61 LEU CA C 56.80 0.05 . 228 . 61 LEU C C 178.35 0.05 . 229 . 62 LYS H H 7.85 0.02 . 230 . 62 LYS N N 119.00 0.05 . 231 . 62 LYS CA C 57.50 0.05 . 232 . 62 LYS C C 176.89 0.05 . 233 . 63 LYS H H 7.72 0.02 . 234 . 63 LYS N N 118.70 0.05 . 235 . 63 LYS CA C 57.20 0.05 . 236 . 63 LYS C C 176.82 0.05 . 237 . 64 HIS H H 8.09 0.02 . 238 . 64 HIS N N 117.40 0.05 . 239 . 64 HIS CA C 55.70 0.05 . 240 . 64 HIS C C 174.97 0.05 . 241 . 65 GLY H H 8.20 0.02 . 242 . 65 GLY N N 109.00 0.05 . 243 . 65 GLY CA C 45.60 0.05 . 244 . 65 GLY C C 173.95 0.05 . 245 . 66 VAL H H 7.90 0.02 . 246 . 66 VAL N N 118.90 0.05 . 247 . 66 VAL CA C 62.90 0.05 . 248 . 66 VAL C C 176.38 0.05 . 249 . 67 THR H H 8.08 0.02 . 250 . 67 THR N N 117.90 0.05 . 251 . 67 THR CA C 62.90 0.05 . 252 . 67 THR C C 174.66 0.05 . 253 . 68 VAL H H 7.99 0.02 . 254 . 68 VAL N N 122.00 0.05 . 255 . 68 VAL CA C 63.10 0.05 . 256 . 68 VAL C C 176.04 0.05 . 257 . 69 LEU H H 8.09 0.02 . 258 . 69 LEU N N 123.70 0.05 . 259 . 69 LEU CA C 56.00 0.05 . 260 . 69 LEU C C 177.94 0.05 . 261 . 70 THR H H 7.88 0.02 . 262 . 70 THR N N 114.10 0.05 . 263 . 70 THR CA C 63.00 0.05 . 264 . 70 THR C C 174.94 0.05 . 265 . 71 ALA H H 8.04 0.02 . 266 . 71 ALA N N 125.30 0.05 . 267 . 71 ALA CA C 53.30 0.05 . 268 . 71 ALA C C 178.22 0.05 . 269 . 72 LEU H H 7.97 0.02 . 270 . 72 LEU N N 119.50 0.05 . 271 . 72 LEU CA C 56.30 0.05 . 272 . 72 LEU C C 178.21 0.05 . 273 . 73 GLY H H 8.12 0.02 . 274 . 73 GLY N N 107.10 0.05 . 275 . 73 GLY CA C 46.10 0.05 . 276 . 73 GLY C C 174.65 0.05 . 277 . 74 ALA H H 7.80 0.02 . 278 . 74 ALA N N 122.60 0.05 . 279 . 74 ALA CA C 53.30 0.05 . 280 . 74 ALA C C 178.45 0.05 . 281 . 75 ILE H H 7.72 0.02 . 282 . 75 ILE N N 118.10 0.05 . 283 . 75 ILE CA C 62.30 0.05 . 284 . 75 ILE C C 176.80 0.05 . 285 . 76 LEU H H 7.93 0.02 . 286 . 76 LEU N N 122.90 0.05 . 287 . 76 LEU CA C 55.90 0.05 . 288 . 76 LEU C C 177.60 0.05 . 289 . 77 LYS H H 7.84 0.02 . 290 . 77 LYS N N 120.30 0.05 . 291 . 77 LYS CA C 56.70 0.05 . 292 . 77 LYS C C 176.63 0.05 . 293 . 78 LYS H H 7.91 0.02 . 294 . 78 LYS N N 121.00 0.05 . 295 . 78 LYS CA C 56.70 0.05 . 296 . 78 LYS C C 176.55 0.05 . 297 . 79 LYS H H 8.08 0.02 . 298 . 79 LYS N N 121.60 0.05 . 299 . 79 LYS CA C 56.70 0.05 . 300 . 79 LYS C C 176.93 0.05 . 301 . 80 GLY H H 8.22 0.02 . 302 . 80 GLY N N 109.10 0.05 . 303 . 80 GLY CA C 45.10 0.05 . 304 . 80 GLY C C 173.59 0.05 . 305 . 81 HIS H H 8.21 0.02 . 306 . 81 HIS N N 117.90 0.05 . 307 . 81 HIS CA C 55.10 0.05 . 308 . 81 HIS C C 177.67 0.05 . 309 . 82 HIS H H 8.10 0.02 . 310 . 82 HIS N N 116.80 0.05 . 311 . 82 HIS CA C 55.60 0.05 . 312 . 82 HIS C C 174.23 0.05 . 313 . 83 GLU H H 8.53 0.02 . 314 . 83 GLU N N 122.50 0.05 . 315 . 83 GLU CA C 56.90 0.05 . 316 . 83 GLU C C 175.97 0.05 . 317 . 84 ALA H H 8.21 0.02 . 318 . 84 ALA N N 124.00 0.05 . 319 . 84 ALA CA C 52.60 0.05 . 320 . 84 ALA C C 177.33 0.05 . 321 . 85 GLU H H 8.10 0.02 . 322 . 85 GLU N N 119.40 0.05 . 323 . 85 GLU CA C 56.30 0.05 . 324 . 85 GLU C C 176.01 0.05 . 325 . 86 LEU H H 8.00 0.02 . 326 . 86 LEU N N 123.00 0.05 . 327 . 86 LEU CA C 55.10 0.05 . 328 . 86 LEU C C 176.72 0.05 . 329 . 87 LYS H H 8.05 0.02 . 330 . 87 LYS N N 122.80 0.05 . 331 . 87 LYS CA C 54.30 0.05 . 332 . 88 PRO CA C 63.30 0.05 . 333 . 88 PRO C C 176.89 0.05 . 334 . 89 LEU H H 8.08 0.02 . 335 . 89 LEU N N 121.80 0.05 . 336 . 89 LEU CA C 55.30 0.05 . 337 . 89 LEU C C 177.26 0.05 . 338 . 90 ALA H H 8.07 0.02 . 339 . 90 ALA N N 124.10 0.05 . 340 . 90 ALA CA C 52.60 0.05 . 341 . 90 ALA C C 177.61 0.05 . 342 . 91 GLN H H 8.11 0.02 . 343 . 91 GLN N N 118.90 0.05 . 344 . 91 GLN CA C 55.80 0.05 . 345 . 91 GLN C C 175.98 0.05 . 346 . 92 SER H H 8.10 0.02 . 347 . 92 SER N N 116.20 0.05 . 348 . 92 SER CA C 58.50 0.05 . 349 . 92 SER C C 174.58 0.05 . 350 . 93 HIS H H 8.15 0.02 . 351 . 93 HIS N N 121.00 0.05 . 352 . 93 HIS CA C 55.40 0.05 . 353 . 93 HIS C C 174.08 0.05 . 354 . 94 ALA H H 8.12 0.02 . 355 . 94 ALA N N 124.40 0.05 . 356 . 94 ALA CA C 52.60 0.05 . 357 . 94 ALA C C 177.61 0.05 . 358 . 95 THR H H 8.00 0.02 . 359 . 95 THR N N 112.70 0.05 . 360 . 95 THR CA C 62.00 0.05 . 361 . 95 THR C C 174.33 0.05 . 362 . 96 LYS H H 8.12 0.02 . 363 . 96 LYS N N 123.00 0.05 . 364 . 96 LYS CA C 56.30 0.05 . 365 . 96 LYS C C 176.53 0.05 . 366 . 97 HIS H H 8.06 0.02 . 367 . 97 HIS N N 122.10 0.05 . 368 . 97 HIS CA C 55.10 0.05 . 369 . 97 HIS C C 174.07 0.05 . 370 . 98 LYS H H 8.26 0.02 . 371 . 98 LYS N N 122.90 0.05 . 372 . 98 LYS CA C 56.30 0.05 . 373 . 98 LYS C C 175.86 0.05 . 374 . 99 ILE H H 8.04 0.02 . 375 . 99 ILE N N 123.30 0.05 . 376 . 99 ILE CA C 58.60 0.05 . 377 . 100 PRO CA C 63.10 0.05 . 378 . 100 PRO C C 176.88 0.05 . 379 . 101 ILE H H 8.00 0.02 . 380 . 101 ILE N N 121.80 0.05 . 381 . 101 ILE CA C 62.40 0.05 . 382 . 101 ILE C C 176.53 0.05 . 383 . 102 LYS H H 8.18 0.02 . 384 . 102 LYS N N 122.40 0.05 . 385 . 102 LYS CA C 57.30 0.05 . 386 . 103 TYR H H 8.13 0.02 . 387 . 103 TYR N N 117.40 0.05 . 388 . 103 TYR CA C 56.00 0.05 . 389 . 104 LEU H H 7.90 0.02 . 390 . 104 LEU N N 118.90 0.05 . 391 . 104 LEU CA C 58.30 0.05 . 392 . 104 LEU C C 177.72 0.05 . 393 . 105 GLU H H 8.26 0.02 . 394 . 105 GLU N N 119.90 0.05 . 395 . 105 GLU CA C 59.50 0.05 . 396 . 106 PHE CA C 59.10 0.05 . 397 . 107 ILE H H 7.88 0.02 . 398 . 107 ILE N N 119.70 0.05 . 399 . 107 ILE CA C 62.60 0.05 . 400 . 107 ILE C C 176.45 0.05 . 401 . 108 SER H H 7.90 0.02 . 402 . 108 SER N N 116.60 0.05 . 403 . 108 SER CA C 60.40 0.05 . 404 . 109 GLU CA C 58.10 0.05 . 405 . 109 GLU C C 177.20 0.05 . 406 . 110 ALA H H 7.92 0.02 . 407 . 110 ALA N N 122.20 0.05 . 408 . 110 ALA CA C 54.20 0.05 . 409 . 110 ALA C C 178.93 0.05 . 410 . 111 ILE H H 7.74 0.02 . 411 . 111 ILE N N 117.30 0.05 . 412 . 111 ILE CA C 63.20 0.05 . 413 . 111 ILE C C 176.37 0.05 . 414 . 112 ILE H H 8.08 0.02 . 415 . 112 ILE N N 117.90 0.05 . 416 . 112 ILE CA C 62.90 0.05 . 417 . 112 ILE C C 177.05 0.05 . 418 . 113 HIS H H 8.06 0.02 . 419 . 113 HIS N N 118.70 0.05 . 420 . 113 HIS CA C 57.20 0.05 . 421 . 116 HIS CA C 55.60 0.05 . 422 . 116 HIS C C 174.52 0.05 . 423 . 117 SER H H 7.88 0.02 . 424 . 117 SER N N 115.30 0.05 . 425 . 117 SER CA C 58.70 0.05 . 426 . 117 SER C C 174.21 0.05 . 427 . 118 ARG H H 8.12 0.02 . 428 . 118 ARG N N 121.30 0.05 . 429 . 118 ARG CA C 56.20 0.05 . 430 . 118 ARG C C 175.67 0.05 . 431 . 119 HIS H H 8.31 0.02 . 432 . 119 HIS N N 119.20 0.05 . 433 . 119 HIS CA C 53.30 0.05 . 434 . 120 PRO CA C 64.20 0.05 . 435 . 120 PRO C C 177.38 0.05 . 436 . 121 GLY H H 8.38 0.02 . 437 . 121 GLY N N 108.80 0.05 . 438 . 121 GLY CA C 45.40 0.05 . 439 . 121 GLY C C 173.84 0.05 . 440 . 122 ASP H H 7.86 0.02 . 441 . 122 ASP N N 119.70 0.05 . 442 . 122 ASP CA C 54.20 0.05 . 443 . 122 ASP C C 175.96 0.05 . 444 . 123 PHE H H 8.08 0.02 . 445 . 123 PHE N N 120.00 0.05 . 446 . 123 PHE CA C 58.00 0.05 . 447 . 123 PHE C C 176.16 0.05 . 448 . 124 GLY H H 8.19 0.02 . 449 . 124 GLY N N 109.30 0.05 . 450 . 124 GLY CA C 45.40 0.05 . 451 . 124 GLY C C 174.05 0.05 . 452 . 125 ALA H H 8.00 0.02 . 453 . 125 ALA N N 123.00 0.05 . 454 . 125 ALA CA C 52.90 0.05 . 455 . 125 ALA C C 177.06 0.05 . 456 . 126 ASP H H 8.19 0.02 . 457 . 126 ASP N N 118.00 0.05 . 458 . 126 ASP CA C 54.20 0.05 . 459 . 126 ASP C C 176.24 0.05 . 460 . 127 ALA H H 8.00 0.02 . 461 . 127 ALA N N 123.60 0.05 . 462 . 127 ALA CA C 53.30 0.05 . 463 . 127 ALA C C 178.01 0.05 . 464 . 128 GLN H H 8.13 0.02 . 465 . 128 GLN N N 117.40 0.05 . 466 . 128 GLN CA C 56.90 0.05 . 467 . 128 GLN C C 177.08 0.05 . 468 . 129 GLY H H 8.16 0.02 . 469 . 129 GLY N N 108.45 0.05 . 470 . 129 GLY CA C 45.70 0.05 . 471 . 129 GLY C C 174.58 0.05 . 472 . 130 ALA H H 8.04 0.02 . 473 . 130 ALA N N 123.30 0.05 . 474 . 130 ALA CA C 53.40 0.05 . 475 . 130 ALA C C 178.49 0.05 . 476 . 131 MET H H 8.18 0.02 . 477 . 131 MET N N 117.60 0.05 . 478 . 131 MET CA C 56.60 0.05 . 479 . 131 MET C C 177.11 0.05 . 480 . 132 GLY H H 8.12 0.02 . 481 . 132 GLY N N 107.80 0.05 . 482 . 132 GLY CA C 46.10 0.05 . 483 . 132 GLY C C 174.94 0.05 . 484 . 133 LYS H H 7.87 0.02 . 485 . 133 LYS N N 120.40 0.05 . 486 . 133 LYS CA C 57.50 0.05 . 487 . 133 LYS C C 177.06 0.05 . 488 . 134 ALA H H 8.00 0.02 . 489 . 134 ALA N N 122.90 0.05 . 490 . 134 ALA CA C 53.20 0.05 . 491 . 134 ALA C C 177.99 0.05 . 492 . 135 LEU H H 7.94 0.02 . 493 . 135 LEU N N 119.10 0.05 . 494 . 135 LEU CA C 56.10 0.05 . 495 . 135 LEU C C 178.11 0.05 . 496 . 136 GLY H H 8.03 0.02 . 497 . 136 GLY N N 107.20 0.05 . 498 . 136 GLY CA C 45.90 0.05 . 499 . 136 GLY C C 174.54 0.05 . 500 . 137 LEU H H 7.70 0.02 . 501 . 137 LEU N N 120.70 0.05 . 502 . 137 LEU CA C 55.90 0.05 . 503 . 137 LEU C C 177.22 0.05 . 504 . 139 ARG CA C 56.80 0.05 . 505 . 139 ARG C C 176.51 0.05 . 506 . 140 LYS H H 8.15 0.02 . 507 . 140 LYS N N 121.30 0.05 . 508 . 140 LYS CA C 57.70 0.05 . 509 . 140 LYS C C 176.77 0.05 . 510 . 141 ASP H H 8.28 0.02 . 511 . 141 ASP N N 119.30 0.05 . 512 . 141 ASP CA C 54.90 0.05 . 513 . 141 ASP C C 176.78 0.05 . 514 . 142 ILE H H 7.73 0.02 . 515 . 142 ILE N N 119.60 0.05 . 516 . 142 ILE CA C 62.30 0.05 . 517 . 142 ILE C C 176.37 0.05 . 518 . 143 ALA H H 7.98 0.02 . 519 . 143 ALA N N 124.20 0.05 . 520 . 143 ALA CA C 53.60 0.05 . 521 . 143 ALA C C 178.35 0.05 . 522 . 144 ALA H H 7.79 0.02 . 523 . 144 ALA N N 120.60 0.05 . 524 . 144 ALA CA C 53.60 0.05 . 525 . 144 ALA C C 178.50 0.05 . 526 . 145 LYS H H 7.80 0.02 . 527 . 145 LYS N N 118.10 0.05 . 528 . 145 LYS CA C 57.20 0.05 . 529 . 145 LYS C C 176.92 0.05 . 530 . 146 TYR H H 7.78 0.02 . 531 . 146 TYR N N 118.50 0.05 . 532 . 146 TYR CA C 58.60 0.05 . 533 . 146 TYR C C 176.40 0.05 . 534 . 147 LYS H H 7.81 0.02 . 535 . 147 LYS N N 119.50 0.05 . 536 . 147 LYS CA C 57.60 0.05 . 537 . 147 LYS C C 177.07 0.05 . 538 . 148 GLU H H 8.10 0.02 . 539 . 148 GLU N N 119.70 0.05 . 540 . 148 GLU CA C 57.00 0.05 . 541 . 148 GLU C C 176.49 0.05 . 542 . 149 LEU H H 7.89 0.02 . 543 . 149 LEU N N 120.70 0.05 . 544 . 149 LEU CA C 55.50 0.05 . 545 . 149 LEU C C 177.52 0.05 . 546 . 150 GLY H H 8.02 0.02 . 547 . 150 GLY N N 107.50 0.05 . 548 . 150 GLY CA C 45.38 0.05 . 549 . 150 GLY C C 173.83 0.05 . 550 . 151 TYR H H 7.78 0.02 . 551 . 151 TYR N N 119.58 0.05 . 552 . 151 TYR CA C 58.19 0.05 . 553 . 151 TYR C C 175.41 0.05 . 554 . 152 GLN H H 8.10 0.02 . 555 . 152 GLN N N 122.41 0.05 . 556 . 152 GLN CA C 55.69 0.05 . 557 . 152 GLN C C 174.82 0.05 . 558 . 153 GLY H H 7.32 0.02 . 559 . 153 GLY N N 114.64 0.05 . 560 . 153 GLY CA C 45.87 0.05 . 561 . 153 GLY C C 178.12 0.05 . stop_ save_