data_4676 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N Resonances in Unfolded Apomyoglobin at pH 2.3 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Jian . . 2 Chung J. . . 3 Eliezer D. . . 4 Wright Peter E. . 5 Dyson Jane . . stop_ _BMRB_accession_number 4676 _BMRB_flat_file_name bmr4676.str _Entry_type new _Submission_date 2000-03-01 _Accession_date 2000-03-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 294 '13C chemical shifts' 445 '15N chemical shifts' 147 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR Structural and Dynamic Characterization of the Acid-unfolded State of Apomyoglobin Provides Insights into the Early Events in Protein Folding ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 21194686 _PubMed_ID 11297422 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Jian . . 2 Chung J. . . 3 Eliezer D. . . 4 Wright Peter E. . 5 Dyson H. Jane . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 40 _Journal_issue 12 _Page_first 3561 _Page_last 3571 _Year 2001 loop_ _Keyword 'myoglobin' 'unfolded' stop_ save_ ################################## # Molecular system description # ################################## save_system_apoMb _Saveframe_category molecular_system _Mol_system_name "apomyoglobin pH 2.3" _Abbreviation_common "apoMb pH 2 state" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apoMb $apoMb stop_ _System_physical_state denatured _System_oligomer_state monomer _System_type 'protein only' _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_apoMb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "unfolded myoglobin" _Name_variant . _Abbreviation_common "unfolded apoMb" _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKHGVTVLTALGAILKKKG HHEAELKPLAQSHATKHKIP IKYLEFISEAIIHVLHSRHP GDFGADAQGAMNKALELFRK DIAAKYKELGYQG ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LEU 3 SER 4 GLU 5 GLY 6 GLU 7 TRP 8 GLN 9 LEU 10 VAL 11 LEU 12 HIS 13 VAL 14 TRP 15 ALA 16 LYS 17 VAL 18 GLU 19 ALA 20 ASP 21 VAL 22 ALA 23 GLY 24 HIS 25 GLY 26 GLN 27 ASP 28 ILE 29 LEU 30 ILE 31 ARG 32 LEU 33 PHE 34 LYS 35 SER 36 HIS 37 PRO 38 GLU 39 THR 40 LEU 41 GLU 42 LYS 43 PHE 44 ASP 45 ARG 46 PHE 47 LYS 48 HIS 49 LEU 50 LYS 51 THR 52 GLU 53 ALA 54 GLU 55 MET 56 LYS 57 ALA 58 SER 59 GLU 60 ASP 61 LEU 62 LYS 63 LYS 64 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 ASN 133 LYS 134 ALA 135 LEU 136 GLU 137 LEU 138 PHE 139 ARG 140 LYS 141 ASP 142 ILE 143 ALA 144 ALA 145 LYS 146 TYR 147 LYS 148 GLU 149 LEU 150 GLY 151 TYR 152 GLN 153 GLY stop_ _Sequence_homology_query_date 2009-06-13 _Sequence_homology_query_revised_last_date 2009-05-30 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 100.00 153 100.00 100.00 8.54e-82 BMRB 1029 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1200 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1413 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1455 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1457 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1459 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1461 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1463 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1465 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1467 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1469 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1471 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 1752 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2345 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2346 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2347 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2348 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2431 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2432 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2433 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 2434 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 291 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 292 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 293 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 40 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 4061 apomyoglobin 100.00 154 100.00 100.00 8.54e-82 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 8.54e-82 BMRB 426 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 4568 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 4695 myoglobin 100.00 153 99.35 99.35 8.19e-81 BMRB 5158 apomyoglobin 100.00 153 98.69 98.69 4.53e-80 BMRB 823 myoglobin 100.00 153 100.00 100.00 8.54e-82 BMRB 824 myoglobin 100.00 153 100.00 100.00 8.54e-82 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 1.07e-80 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 98.69 99.35 1.61e-80 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 1.61e-80 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 100.00 153 100.00 100.00 8.54e-82 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 100.00 153 100.00 100.00 8.54e-82 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 7.66e-81 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.69 99.35 7.66e-81 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 98.69 99.35 7.66e-81 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 2.03e-81 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 2.03e-81 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 2.03e-81 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 99.35 100.00 2.03e-81 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 98.69 151 99.34 100.00 4.38e-80 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 98.69 151 100.00 100.00 1.89e-80 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 98.69 151 100.00 100.00 1.89e-80 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 98.69 151 100.00 100.00 1.89e-80 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 99.35 100.00 2.03e-81 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 8.54e-82 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 8.54e-82 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 100.00 153 100.00 100.00 8.54e-82 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 100.00 153 100.00 100.00 8.54e-82 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 8.54e-82 PDB 1BZP "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 8.54e-82 PDB 1BZR "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 8.54e-82 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 98.69 99.35 1.81e-80 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 98.69 99.35 5.09e-81 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 98.69 99.35 1.26e-80 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 98.69 99.35 1.87e-80 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 98.69 99.35 1.37e-80 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 98.69 99.35 7.99e-81 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 98.69 99.35 7.41e-81 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 98.69 100.00 2.55e-81 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 98.69 99.35 7.05e-81 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 98.69 100.00 4.10e-81 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 98.69 99.35 8.68e-81 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 98.69 99.35 5.09e-81 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 98.69 99.35 1.26e-80 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 99.35 153 100.00 100.00 4.20e-81 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 100.00 154 98.69 99.35 1.37e-80 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 100.00 154 98.69 99.35 1.37e-80 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 100.00 154 98.69 99.35 1.37e-80 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 100.00 154 98.69 99.35 1.37e-80 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 98.69 99.35 1.51e-80 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 100.00 153 99.35 99.35 1.02e-80 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 100.00 153 99.35 99.35 1.02e-80 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 100.00 153 100.00 100.00 8.54e-82 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 100.00 153 100.00 100.00 8.54e-82 PDB 1FCS "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" 100.00 154 98.04 98.69 1.14e-79 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.04 98.69 4.31e-80 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 153 100.00 100.00 8.54e-82 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 99.35 99.35 8.68e-81 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.35 99.35 2.91e-81 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 99.35 100.00 2.03e-81 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 98.69 99.35 5.09e-81 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 100.00 153 100.00 100.00 8.54e-82 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 100.00 153 100.00 100.00 8.54e-82 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 8.54e-82 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 8.54e-82 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 99.35 100.00 2.03e-81 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met- Myoglobin At 1.5a Resolution." 100.00 153 100.00 100.00 8.54e-82 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (Oxy)" 100.00 154 98.69 99.35 1.26e-80 PDB 1LUE "Recombinant Sperm Whale Myoglobin H64dV68AD122N MUTANT (Met)" 100.00 154 98.04 98.69 3.90e-80 PDB 1MBC "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" 100.00 153 100.00 100.00 8.54e-82 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1MBI "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 8.54e-82 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 100.00 153 100.00 100.00 8.54e-82 PDB 1MCY "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" 100.00 154 98.69 98.69 8.98e-81 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 98.69 100.00 6.27e-81 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 5.44e-81 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 5.44e-81 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 5.44e-81 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 7.66e-81 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 7.66e-81 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 99.35 7.66e-81 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 2.96e-81 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 2.96e-81 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 2.96e-81 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 5.44e-81 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 5.44e-81 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.69 100.00 5.44e-81 PDB 1MLU "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" 100.00 154 98.04 98.69 5.77e-80 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.69 99.35 5.09e-81 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.95e-80 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.39e-80 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.39e-80 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.69 99.35 8.76e-81 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.07e-80 PDB 1MTK "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.07e-80 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 100.00 153 100.00 100.00 8.54e-82 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 98.69 99.35 1.07e-80 PDB 1O16 "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" 100.00 154 98.04 98.69 4.97e-80 PDB 1OFJ "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" 100.00 154 98.04 98.69 2.42e-79 PDB 1OFK "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" 100.00 154 98.04 98.69 2.55e-79 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 100.00 153 100.00 100.00 8.54e-82 PDB 1SWM "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" 100.00 153 100.00 100.00 8.54e-82 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 99.35 100.00 2.03e-81 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (Form2 )" 100.00 153 100.00 100.00 8.54e-82 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (Form 1)" 100.00 153 100.00 100.00 8.54e-82 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.35 99.35 2.91e-81 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 8.54e-82 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 99.35 99.35 2.91e-81 PDB 1VXA "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXB "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXC "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXD "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXE "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXF "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXG "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1VXH "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 100.00 153 99.35 99.35 6.87e-81 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 100.00 153 100.00 100.00 8.54e-82 PDB 1YOH "Cobalt Myoglobin (Met)" 100.00 153 100.00 100.00 8.54e-82 PDB 1YOI "Cobalt Myoglobin (Oxy)" 100.00 153 100.00 100.00 8.54e-82 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 100.00 153 98.69 99.35 1.37e-80 PDB 2BLI "L29w Mb Deoxy" 100.00 153 98.69 99.35 1.37e-80 PDB 2BLJ "Structure Of L29w Mbco" 100.00 153 98.69 99.35 1.37e-80 PDB 2BW9 "Laue Structure Of L29w Mbco" 100.00 153 98.69 99.35 1.37e-80 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 100.00 153 98.69 99.35 1.37e-80 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 100.00 153 100.00 100.00 8.54e-82 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 100.00 153 100.00 100.00 8.54e-82 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 8.54e-82 PDB 2EB9 "Crystal Structure Of Cu(Ii)(Sal-Leu)APO-Myoglobin" 100.00 154 100.00 100.00 8.54e-82 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 99.35 99.35 2.91e-81 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl- 6-Depropionatehemin" 100.00 153 100.00 100.00 8.54e-82 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl- 7-Depropionatehemin" 100.00 153 100.00 100.00 8.54e-82 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound Heme Proteins" 100.00 153 99.35 99.35 1.02e-80 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound Heme Proteins" 100.00 153 99.35 99.35 1.02e-80 PDB 2G0R "Unphotolyzed Co-Bound L29f Myoglobin" 100.00 154 98.69 99.35 5.09e-81 PDB 2G0S "Unphotolyzed Co-Bound L29f Myoglobin, Crystal 2" 100.00 154 98.69 99.35 5.09e-81 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 98.69 99.35 5.09e-81 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 98.69 99.35 5.09e-81 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 98.69 99.35 5.09e-81 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 98.69 99.35 5.09e-81 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 98.69 99.35 5.09e-81 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 98.69 99.35 5.09e-81 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 98.69 99.35 5.09e-81 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 8.54e-82 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 99.35 153 100.00 100.00 3.27e-81 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 99.35 100.00 2.03e-81 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.95e-80 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.95e-80 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 2.16e-80 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 2.16e-80 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 2.16e-80 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.99e-81 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.99e-81 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 7.99e-81 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.39e-80 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.69 99.35 1.87e-80 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 2.03e-81 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 2.03e-81 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 99.35 100.00 2.03e-81 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 8.54e-82 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 8.54e-82 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 8.54e-82 PDB 2MYD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 8.54e-82 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 8.54e-82 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 98.69 99.35 1.89e-80 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 98.69 99.35 2.12e-80 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 98.69 100.00 1.05e-80 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 98.69 99.35 1.89e-80 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.69 99.35 5.09e-81 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.69 99.35 5.09e-81 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.69 99.35 5.09e-81 PDB 2SPO "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.69 100.00 4.10e-81 PDB 2W6W "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" 100.00 154 100.00 100.00 8.54e-82 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-Ray- Induced Photoreduction" 100.00 153 100.00 100.00 8.54e-82 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSN "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSO "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSP "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSQ "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSR "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSS "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZST "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSX "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSY "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZSZ "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZT0 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZT1 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZT2 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZT3 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 2ZT4 "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3E4N "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" 100.00 153 100.00 100.00 8.54e-82 PDB 3E55 "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" 100.00 153 100.00 100.00 8.54e-82 PDB 3E5I "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" 100.00 153 100.00 100.00 8.54e-82 PDB 3E5O "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" 100.00 153 100.00 100.00 8.54e-82 PDB 3ECL "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" 100.00 153 100.00 100.00 8.54e-82 PDB 3ECX "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3ECZ "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3ED9 "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3EDA "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3EDB "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" 100.00 153 100.00 100.00 8.54e-82 PDB 3H57 "Myoglobin Cavity Mutant H64lv68n Deoxy Form" 100.00 154 98.04 98.69 1.29e-79 PDB 3H58 "Myoglobin Cavity Mutant H64lv68n Met Form" 100.00 154 98.04 98.69 1.29e-79 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 8.54e-82 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 8.54e-82 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 8.54e-82 GenBank AAA72199 "synthetic myoglobin" 100.00 154 99.35 100.00 2.03e-81 PRF 742482A myoglobin 100.00 153 99.35 100.00 2.27e-81 SWISS-PROT P02185 "RecName: Full=Myoglobin" 100.00 154 100.00 100.00 8.54e-82 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 loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $apoMb 0.2 mM 0.15 0.25 "[U-95% 13C; U-95% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97 loop_ _Task ; transform and plot; data tables assignments were done by hand ; stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCA HNCO CBCA(CO)NH HNCACB (HCA)CO(CA)NH 1H-15N TOCSY C(CO)NH-TOCSY HNCO ; _Details ; high field was required for maximum sensitivity for low concentration samples and for maximum proton dispersion ; save_ ####################### # Sample conditions # ####################### save_Ex-cond-1 _Saveframe_category sample_conditions _Details ; lowest ionic strength possible is used. Final concentration of HCl is approx 5 mM Note samples are unstable due to hydrolysis at low pH Lower temperatures help sample stability but cause unacceptable broadening of resonances 25C is a compromise ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.3 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; 13C and 15N were referenced using standard ratios (Wishart et al., 1995) ; 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 dioxane H 1 'methylene protons' ppm 3.75 internal direct . internal . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name apoMb loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 VAL H H 8.61 0.02 1 2 1 VAL HA H 4.18 0.02 1 3 1 VAL C C 175.40 0.2 1 4 1 VAL CA C 62.30 0.2 1 5 1 VAL CB C 32.90 0.2 1 6 1 VAL N N 123.80 0.2 1 7 2 LEU H H 8.47 0.02 1 8 2 LEU HA H 4.42 0.02 1 9 2 LEU C C 177.00 0.2 1 10 2 LEU CA C 54.90 0.2 1 11 2 LEU CB C 42.60 0.2 1 12 2 LEU N N 127.10 0.2 1 13 3 SER H H 8.28 0.02 1 14 3 SER HA H 4.45 0.02 1 15 3 SER C C 174.60 0.2 1 16 3 SER CA C 58.00 0.2 1 17 3 SER CB C 64.00 0.2 1 18 3 SER N N 117.10 0.2 1 19 4 GLU H H 8.52 0.02 1 20 4 GLU HA H 4.30 0.02 1 21 4 GLU C C 176.80 0.2 1 22 4 GLU CA C 56.70 0.2 1 23 4 GLU CB C 28.60 0.2 1 24 4 GLU N N 122.20 0.2 1 25 5 GLY H H 8.44 0.02 1 26 5 GLY HA2 H 3.87 0.02 1 27 5 GLY C C 174.70 0.2 1 28 5 GLY CA C 45.60 0.2 1 29 5 GLY N N 108.80 0.2 1 30 6 GLU H H 8.11 0.02 1 31 6 GLU HA H 4.25 0.02 1 32 6 GLU C C 176.50 0.2 1 33 6 GLU CA C 56.60 0.2 1 34 6 GLU CB C 28.70 0.2 1 35 6 GLU N N 120.30 0.2 1 36 7 TRP H H 8.19 0.02 1 37 7 TRP HA H 4.62 0.02 1 38 7 TRP C C 176.10 0.2 1 39 7 TRP CA C 58.00 0.2 1 40 7 TRP CB C 29.40 0.2 1 41 7 TRP N N 121.10 0.2 1 42 8 GLN H H 8.10 0.02 1 43 8 GLN HA H 4.11 0.02 1 44 8 GLN C C 176.10 0.2 1 45 8 GLN CA C 56.60 0.2 1 46 8 GLN CB C 29.70 0.2 1 47 8 GLN N N 119.60 0.2 1 48 9 LEU H H 7.87 0.02 1 49 9 LEU HA H 4.20 0.02 1 50 9 LEU C C 177.60 0.2 1 51 9 LEU CA C 56.00 0.2 1 52 9 LEU CB C 42.20 0.2 1 53 9 LEU N N 121.80 0.2 1 54 10 VAL H H 7.94 0.02 1 55 10 VAL HA H 3.95 0.02 1 56 10 VAL C C 176.20 0.2 1 57 10 VAL CA C 63.00 0.2 1 58 10 VAL CB C 32.90 0.2 1 59 10 VAL N N 120.70 0.2 1 60 11 LEU H H 8.27 0.02 1 61 11 LEU HA H 4.29 0.02 1 62 11 LEU C C 177.30 0.2 1 63 11 LEU CA C 55.70 0.2 1 64 11 LEU CB C 42.10 0.2 1 65 11 LEU N N 124.30 0.2 1 66 12 HIS H H 8.26 0.02 1 67 12 HIS HA H 4.49 0.02 1 68 12 HIS C C 174.40 0.2 1 69 12 HIS CA C 55.60 0.2 1 70 12 HIS CB C 28.60 0.2 1 71 12 HIS N N 117.80 0.2 1 72 13 VAL H H 8.00 0.02 1 73 13 VAL HA H 4.05 0.02 1 74 13 VAL C C 176.30 0.2 1 75 13 VAL CA C 62.50 0.2 1 76 13 VAL CB C 32.80 0.2 1 77 13 VAL N N 120.80 0.2 1 78 15 ALA C C 177.40 0.2 1 79 15 ALA CA C 52.90 0.2 1 80 15 ALA CB C 19.60 0.2 1 81 16 LYS H H 8.04 0.02 1 82 16 LYS HA H 4.29 0.02 1 83 16 LYS C C 176.80 0.2 1 84 16 LYS CA C 56.70 0.2 1 85 16 LYS CB C 32.90 0.2 1 86 16 LYS N N 120.30 0.2 1 87 17 VAL H H 8.07 0.02 1 88 17 VAL HA H 4.08 0.02 1 89 17 VAL C C 176.40 0.2 1 90 17 VAL CA C 62.60 0.2 1 91 17 VAL CB C 32.20 0.2 1 92 17 VAL N N 121.20 0.2 1 93 18 GLU H H 8.36 0.02 1 94 18 GLU HA H 4.28 0.02 1 95 18 GLU C C 175.80 0.2 1 96 18 GLU CA C 55.90 0.2 1 97 18 GLU CB C 28.70 0.2 1 98 18 GLU N N 123.60 0.2 1 99 19 ALA H H 8.21 0.02 1 100 19 ALA HA H 4.27 0.02 1 101 19 ALA C C 177.50 0.2 1 102 19 ALA CA C 53.10 0.2 1 103 19 ALA CB C 19.20 0.2 1 104 19 ALA N N 124.30 0.2 1 105 20 ASP H H 8.34 0.02 1 106 20 ASP HA H 4.69 0.02 1 107 20 ASP C C 175.30 0.2 1 108 20 ASP CA C 53.10 0.2 1 109 20 ASP CB C 38.20 0.2 1 110 20 ASP N N 117.80 0.2 1 111 21 VAL H H 8.01 0.02 1 112 21 VAL HA H 4.07 0.02 1 113 21 VAL C C 176.00 0.2 1 114 21 VAL CA C 62.50 0.2 1 115 21 VAL CB C 32.60 0.2 1 116 21 VAL N N 120.30 0.2 1 117 22 ALA H H 8.31 0.02 1 118 22 ALA HA H 4.30 0.02 1 119 22 ALA C C 178.20 0.2 1 120 22 ALA CA C 52.70 0.2 1 121 22 ALA CB C 19.00 0.2 1 122 22 ALA N N 126.90 0.2 1 123 23 GLY H H 8.28 0.02 1 124 23 GLY HA2 H 3.90 0.02 1 125 23 GLY C C 174.20 0.2 1 126 23 GLY CA C 45.30 0.2 1 127 23 GLY N N 107.70 0.2 1 128 24 HIS H H 8.37 0.02 1 129 24 HIS HA H 4.73 0.02 1 130 24 HIS C C 175.00 0.2 1 131 24 HIS CA C 55.40 0.2 1 132 24 HIS CB C 28.90 0.2 1 133 24 HIS N N 117.70 0.2 1 134 25 GLY H H 8.54 0.02 1 135 25 GLY HA2 H 3.97 0.02 1 136 25 GLY C C 174.20 0.2 1 137 25 GLY CA C 45.50 0.2 1 138 25 GLY N N 109.70 0.2 1 139 26 GLN H H 8.33 0.02 1 140 26 GLN HA H 4.33 0.02 1 141 26 GLN C C 175.90 0.2 1 142 26 GLN CA C 56.10 0.2 1 143 26 GLN CB C 29.60 0.2 1 144 26 GLN N N 119.70 0.2 1 145 27 ASP H H 8.54 0.02 1 146 27 ASP HA H 4.68 0.02 1 147 27 ASP C C 175.30 0.2 1 148 27 ASP CA C 53.40 0.2 1 149 27 ASP CB C 38.30 0.2 1 150 27 ASP N N 120.20 0.2 1 151 28 ILE H H 8.06 0.02 1 152 28 ILE HA H 4.08 0.02 1 153 28 ILE C C 176.00 0.2 1 154 28 ILE CA C 61.60 0.2 1 155 28 ILE CB C 38.60 0.2 1 156 28 ILE N N 121.10 0.2 1 157 29 LEU H H 8.12 0.02 1 158 29 LEU HA H 4.31 0.02 1 159 29 LEU C C 177.20 0.2 1 160 29 LEU CA C 55.50 0.2 1 161 29 LEU CB C 42.10 0.2 1 162 29 LEU N N 125.10 0.2 1 163 30 ILE H H 8.01 0.02 1 164 30 ILE HA H 4.12 0.02 1 165 30 ILE C C 176.20 0.2 1 166 30 ILE CA C 61.50 0.2 1 167 30 ILE CB C 38.50 0.2 1 168 30 ILE N N 121.80 0.2 1 169 31 ARG H H 8.19 0.02 1 170 31 ARG HA H 4.27 0.02 1 171 31 ARG C C 176.00 0.2 1 172 31 ARG CA C 56.30 0.2 1 173 31 ARG CB C 30.80 0.2 1 174 31 ARG N N 124.20 0.2 1 175 32 LEU H H 8.10 0.02 1 176 32 LEU HA H 4.30 0.02 1 177 32 LEU C C 177.00 0.2 1 178 32 LEU CA C 55.20 0.2 1 179 32 LEU CB C 42.50 0.2 1 180 32 LEU N N 123.00 0.2 1 181 33 PHE H H 8.21 0.02 1 182 33 PHE HA H 4.60 0.02 1 183 33 PHE C C 175.60 0.2 1 184 33 PHE CA C 57.70 0.2 1 185 33 PHE CB C 39.60 0.2 1 186 33 PHE N N 121.00 0.2 1 187 34 LYS H H 8.18 0.02 1 188 34 LYS HA H 4.28 0.02 1 189 34 LYS C C 176.10 0.2 1 190 34 LYS CA C 56.40 0.2 1 191 34 LYS CB C 33.20 0.2 1 192 34 LYS N N 122.80 0.2 1 193 35 SER H H 8.16 0.02 1 194 35 SER HA H 4.35 0.02 1 195 35 SER C C 173.80 0.2 1 196 35 SER CA C 58.30 0.2 1 197 35 SER CB C 63.90 0.2 1 198 35 SER N N 116.50 0.2 1 199 36 HIS H H 8.48 0.02 1 200 36 HIS HA H 4.99 0.02 1 201 36 HIS C C 178.80 0.2 1 202 36 HIS CA C 53.40 0.2 1 203 36 HIS CB C 28.70 0.2 1 204 36 HIS N N 120.20 0.2 1 205 37 PRO C C 177.00 0.2 1 206 37 PRO CA C 63.50 0.2 1 207 37 PRO CB C 32.20 0.2 1 208 38 GLU H H 8.63 0.02 1 209 38 GLU HA H 4.43 0.02 1 210 38 GLU C C 176.30 0.2 1 211 38 GLU CA C 56.00 0.2 1 212 38 GLU CB C 29.00 0.2 1 213 38 GLU N N 121.20 0.2 1 214 39 THR H H 8.25 0.02 1 215 39 THR HA H 4.29 0.02 1 216 39 THR C C 174.40 0.2 1 217 39 THR CA C 62.20 0.2 1 218 39 THR CB C 69.70 0.2 1 219 39 THR N N 116.40 0.2 1 220 40 LEU H H 8.27 0.02 1 221 40 LEU HA H 4.29 0.02 1 222 40 LEU C C 177.30 0.2 1 223 40 LEU CA C 55.30 0.2 1 224 40 LEU CB C 42.40 0.2 1 225 40 LEU N N 124.90 0.2 1 226 41 GLU H H 8.29 0.02 1 227 41 GLU HA H 4.28 0.02 1 228 41 GLU C C 176.10 0.2 1 229 41 GLU CA C 56.10 0.2 1 230 41 GLU CB C 28.80 0.2 1 231 41 GLU N N 121.40 0.2 1 232 42 LYS H H 8.22 0.02 1 233 42 LYS HA H 4.24 0.02 1 234 42 LYS C C 176.40 0.2 1 235 42 LYS CA C 56.60 0.2 1 236 42 LYS CB C 32.90 0.2 1 237 42 LYS N N 122.10 0.2 1 238 43 PHE H H 8.17 0.02 1 239 43 PHE HA H 4.59 0.02 1 240 43 PHE C C 175.50 0.2 1 241 43 PHE CA C 57.90 0.2 1 242 43 PHE CB C 39.60 0.2 1 243 43 PHE N N 120.80 0.2 1 244 44 ASP H H 8.36 0.02 1 245 44 ASP HA H 4.60 0.02 1 246 44 ASP C C 175.50 0.2 1 247 44 ASP CA C 53.20 0.2 1 248 44 ASP CB C 38.90 0.2 1 249 44 ASP N N 121.40 0.2 1 250 45 ARG H H 8.16 0.02 1 251 45 ARG HA H 4.26 0.02 1 252 45 ARG C C 176.20 0.2 1 253 45 ARG CA C 57.00 0.2 1 254 45 ARG CB C 30.30 0.2 1 255 45 ARG N N 122.00 0.2 1 256 46 PHE H H 8.00 0.02 1 257 46 PHE HA H 4.59 0.02 1 258 46 PHE C C 175.80 0.2 1 259 46 PHE CA C 57.80 0.2 1 260 46 PHE CB C 39.20 0.2 1 261 46 PHE N N 119.30 0.2 1 262 47 LYS H H 7.97 0.02 1 263 47 LYS HA H 4.18 0.02 1 264 47 LYS C C 176.20 0.2 1 265 47 LYS CA C 56.60 0.2 1 266 47 LYS CB C 33.00 0.2 1 267 47 LYS N N 121.50 0.2 1 268 48 HIS H H 8.44 0.02 1 269 48 HIS HA H 4.67 0.02 1 270 48 HIS C C 174.30 0.2 1 271 48 HIS CA C 55.30 0.2 1 272 48 HIS CB C 28.80 0.2 1 273 48 HIS N N 119.40 0.2 1 274 49 LEU H H 8.27 0.02 1 275 49 LEU HA H 4.31 0.02 1 276 49 LEU C C 177.40 0.2 1 277 49 LEU CA C 55.30 0.2 1 278 49 LEU CB C 42.50 0.2 1 279 49 LEU N N 123.80 0.2 1 280 50 LYS H H 8.40 0.02 1 281 50 LYS HA H 4.38 0.02 1 282 50 LYS C C 176.80 0.2 1 283 50 LYS CA C 56.60 0.2 1 284 50 LYS CB C 33.20 0.2 1 285 50 LYS N N 122.60 0.2 1 286 51 THR H H 8.08 0.02 1 287 51 THR HA H 4.32 0.02 1 288 51 THR C C 174.90 0.2 1 289 51 THR CA C 61.90 0.2 1 290 51 THR CB C 70.10 0.2 1 291 51 THR N N 115.10 0.2 1 292 52 GLU H H 8.50 0.02 1 293 52 GLU HA H 4.29 0.02 1 294 52 GLU C C 176.90 0.2 1 295 52 GLU CA C 56.90 0.2 1 296 52 GLU CB C 28.60 0.2 1 297 52 GLU N N 122.50 0.2 1 298 53 ALA H H 8.34 0.02 1 299 53 ALA HA H 4.34 0.02 1 300 53 ALA C C 178.70 0.2 1 301 53 ALA CA C 53.40 0.2 1 302 53 ALA CB C 19.00 0.2 1 303 53 ALA N N 124.00 0.2 1 304 54 GLU H H 8.14 0.02 1 305 54 GLU HA H 4.25 0.02 1 306 54 GLU C C 177.00 0.2 1 307 54 GLU CA C 56.50 0.2 1 308 54 GLU CB C 28.70 0.2 1 309 54 GLU N N 119.10 0.2 1 310 55 MET H H 8.33 0.02 1 311 55 MET HA H 4.35 0.02 1 312 55 MET C C 176.90 0.2 1 313 55 MET CA C 56.40 0.2 1 314 55 MET CB C 32.60 0.2 1 315 55 MET N N 121.60 0.2 1 316 56 LYS H H 8.26 0.02 1 317 56 LYS HA H 4.21 0.02 1 318 56 LYS C C 176.20 0.2 1 319 56 LYS CA C 57.10 0.2 1 320 56 LYS CB C 32.90 0.2 1 321 56 LYS N N 122.20 0.2 1 322 57 ALA H H 8.19 0.02 1 323 57 ALA HA H 4.27 0.02 1 324 57 ALA C C 178.50 0.2 1 325 57 ALA CA C 53.20 0.2 1 326 57 ALA CB C 19.00 0.2 1 327 57 ALA N N 124.20 0.2 1 328 58 SER H H 8.18 0.02 1 329 58 SER HA H 4.39 0.02 1 330 58 SER C C 175.10 0.2 1 331 58 SER CA C 59.00 0.2 1 332 58 SER CB C 63.70 0.2 1 333 58 SER N N 114.50 0.2 1 334 59 GLU H H 8.22 0.02 1 335 59 GLU HA H 4.30 0.02 1 336 59 GLU C C 176.10 0.2 1 337 59 GLU CA C 56.30 0.2 1 338 59 GLU CB C 28.80 0.2 1 339 59 GLU N N 121.80 0.2 1 340 60 ASP H H 8.37 0.02 1 341 60 ASP HA H 4.66 0.02 1 342 60 ASP C C 175.40 0.2 1 343 60 ASP CA C 53.50 0.2 1 344 60 ASP CB C 38.40 0.2 1 345 60 ASP N N 119.70 0.2 1 346 61 LEU H H 8.10 0.02 1 347 61 LEU HA H 4.29 0.02 1 348 61 LEU C C 177.50 0.2 1 349 61 LEU CA C 55.60 0.2 1 350 61 LEU CB C 42.20 0.2 1 351 61 LEU N N 122.60 0.2 1 352 62 LYS H H 8.11 0.02 1 353 62 LYS HA H 4.26 0.02 1 354 62 LYS C C 176.60 0.2 1 355 62 LYS CA C 56.30 0.2 1 356 62 LYS CB C 32.70 0.2 1 357 62 LYS N N 121.30 0.2 1 358 63 LYS H H 8.16 0.02 1 359 63 LYS HA H 4.26 0.02 1 360 63 LYS C C 176.40 0.2 1 361 63 LYS CA C 56.40 0.2 1 362 63 LYS CB C 33.20 0.2 1 363 63 LYS N N 122.00 0.2 1 364 64 HIS H H 8.52 0.02 1 365 64 HIS HA H 4.73 0.02 1 366 64 HIS C C 174.70 0.2 1 367 64 HIS CA C 55.20 0.2 1 368 64 HIS CB C 29.30 0.2 1 369 64 HIS N N 119.70 0.2 1 370 65 GLY H H 8.46 0.02 1 371 65 GLY HA2 H 3.94 0.02 1 372 65 GLY C C 173.80 0.2 1 373 65 GLY CA C 45.10 0.2 1 374 65 GLY N N 110.50 0.2 1 375 66 VAL H H 8.14 0.02 1 376 66 VAL HA H 4.23 0.02 1 377 66 VAL C C 176.40 0.2 1 378 66 VAL CA C 62.20 0.2 1 379 66 VAL CB C 33.00 0.2 1 380 66 VAL N N 119.60 0.2 1 381 67 THR H H 8.38 0.02 1 382 67 THR HA H 4.35 0.02 1 383 67 THR C C 174.20 0.2 1 384 67 THR CA C 62.10 0.2 1 385 67 THR CB C 69.90 0.2 1 386 67 THR N N 120.00 0.2 1 387 68 VAL H H 8.32 0.02 1 388 68 VAL HA H 4.10 0.02 1 389 68 VAL C C 175.80 0.2 1 390 68 VAL CA C 62.30 0.2 1 391 68 VAL CB C 32.80 0.2 1 392 68 VAL N N 124.40 0.2 1 393 69 LEU H H 8.42 0.02 1 394 69 LEU HA H 4.43 0.02 1 395 69 LEU C C 177.50 0.2 1 396 69 LEU CA C 55.10 0.2 1 397 69 LEU CB C 42.40 0.2 1 398 69 LEU N N 126.70 0.2 1 399 70 THR H H 8.10 0.02 1 400 70 THR HA H 4.28 0.02 1 401 70 THR C C 174.30 0.2 1 402 70 THR CA C 61.90 0.2 1 403 70 THR CB C 69.90 0.2 1 404 70 THR N N 115.70 0.2 1 405 71 ALA H H 8.34 0.02 1 406 71 ALA HA H 4.34 0.02 1 407 71 ALA C C 177.90 0.2 1 408 71 ALA CA C 52.60 0.2 1 409 71 ALA CB C 19.00 0.2 1 410 71 ALA N N 126.60 0.2 1 411 72 LEU H H 8.22 0.02 1 412 72 LEU HA H 4.30 0.02 1 413 72 LEU C C 178.20 0.2 1 414 72 LEU CA C 55.70 0.2 1 415 72 LEU CB C 42.40 0.2 1 416 72 LEU N N 121.50 0.2 1 417 73 GLY H H 8.34 0.02 1 418 73 GLY HA2 H 3.91 0.02 1 419 73 GLY C C 174.20 0.2 1 420 73 GLY CA C 45.50 0.2 1 421 73 GLY N N 108.90 0.2 1 422 74 ALA H H 8.04 0.02 1 423 74 ALA HA H 4.29 0.02 1 424 74 ALA C C 178.10 0.2 1 425 74 ALA CA C 52.80 0.2 1 426 74 ALA CB C 19.20 0.2 1 427 74 ALA N N 123.50 0.2 1 428 75 ILE H H 8.02 0.02 1 429 75 ILE HA H 4.07 0.02 1 430 75 ILE C C 176.60 0.2 1 431 75 ILE CA C 61.60 0.2 1 432 75 ILE CB C 38.40 0.2 1 433 75 ILE N N 120.00 0.2 1 434 76 LEU H H 8.21 0.02 1 435 76 LEU HA H 4.31 0.02 1 436 76 LEU C C 177.40 0.2 1 437 76 LEU CA C 55.40 0.2 1 438 76 LEU CB C 42.20 0.2 1 439 76 LEU N N 125.70 0.2 1 440 77 LYS H H 8.17 0.02 1 441 77 LYS HA H 4.28 0.02 1 442 77 LYS C C 176.60 0.2 1 443 77 LYS CA C 56.40 0.2 1 444 77 LYS CB C 32.90 0.2 1 445 77 LYS N N 122.20 0.2 1 446 78 LYS H H 8.16 0.02 1 447 78 LYS HA H 4.26 0.02 1 448 78 LYS C C 176.70 0.2 1 449 78 LYS CA C 56.40 0.2 1 450 78 LYS CB C 33.00 0.2 1 451 78 LYS N N 122.40 0.2 1 452 79 LYS H H 8.34 0.02 1 453 79 LYS HA H 4.29 0.02 1 454 79 LYS C C 177.10 0.2 1 455 79 LYS CA C 56.50 0.2 1 456 79 LYS CB C 33.30 0.2 1 457 79 LYS N N 122.80 0.2 1 458 80 GLY H H 8.37 0.02 1 459 80 GLY HA2 H 3.91 0.02 1 460 80 GLY C C 173.50 0.2 1 461 80 GLY CA C 44.90 0.2 1 462 80 GLY N N 109.70 0.2 1 463 81 HIS H H 8.42 0.02 1 464 81 HIS HA H 4.69 0.02 1 465 81 HIS C C 174.10 0.2 1 466 81 HIS CA C 55.10 0.2 1 467 81 HIS CB C 29.30 0.2 1 468 81 HIS N N 118.10 0.2 1 469 82 HIS H H 8.68 0.02 1 470 82 HIS HA H 4.67 0.02 1 471 82 HIS C C 174.00 0.2 1 472 82 HIS CA C 55.30 0.2 1 473 82 HIS CB C 29.20 0.2 1 474 82 HIS N N 121.10 0.2 1 475 83 GLU H H 8.53 0.02 1 476 83 GLU HA H 4.35 0.02 1 477 83 GLU C C 175.30 0.2 1 478 83 GLU CA C 55.60 0.2 1 479 83 GLU CB C 29.30 0.2 1 480 83 GLU N N 123.20 0.2 1 481 84 ALA H H 8.46 0.02 1 482 84 ALA HA H 4.29 0.02 1 483 84 ALA C C 177.30 0.2 1 484 84 ALA CA C 52.40 0.2 1 485 84 ALA CB C 19.30 0.2 1 486 84 ALA N N 126.00 0.2 1 487 85 GLU H H 8.35 0.02 1 488 85 GLU HA H 4.35 0.02 1 489 85 GLU C C 175.70 0.2 1 490 85 GLU CA C 55.50 0.2 1 491 85 GLU CB C 29.00 0.2 1 492 85 GLU N N 120.30 0.2 1 493 86 LEU H H 8.34 0.02 1 494 86 LEU HA H 4.38 0.02 1 495 86 LEU C C 176.90 0.2 1 496 86 LEU CA C 55.00 0.2 1 497 86 LEU CB C 42.50 0.2 1 498 86 LEU N N 124.70 0.2 1 499 87 LYS H H 8.34 0.02 1 500 87 LYS HA H 4.25 0.02 1 501 87 LYS C C 174.30 0.2 1 502 87 LYS CA C 54.10 0.2 1 503 87 LYS CB C 32.60 0.2 1 504 87 LYS N N 124.00 0.2 1 505 88 PRO C C 176.80 0.2 1 506 88 PRO CA C 62.80 0.2 1 507 88 PRO CB C 32.10 0.2 1 508 89 LEU H H 8.35 0.02 1 509 89 LEU HA H 4.29 0.02 1 510 89 LEU C C 177.40 0.2 1 511 89 LEU CA C 55.10 0.2 1 512 89 LEU CB C 42.50 0.2 1 513 89 LEU N N 123.00 0.2 1 514 90 ALA H H 8.33 0.02 1 515 90 ALA HA H 4.34 0.02 1 516 90 ALA C C 177.60 0.2 1 517 90 ALA CA C 52.50 0.2 1 518 90 ALA CB C 19.20 0.2 1 519 90 ALA N N 125.40 0.2 1 520 91 GLN H H 8.38 0.02 1 521 91 GLN HA H 4.35 0.02 1 522 91 GLN C C 176.00 0.2 1 523 91 GLN CA C 55.50 0.2 1 524 91 GLN CB C 29.20 0.2 1 525 91 GLN N N 120.00 0.2 1 526 92 SER H H 8.36 0.02 1 527 92 SER HA H 4.38 0.02 1 528 92 SER C C 174.40 0.2 1 529 92 SER CA C 58.30 0.2 1 530 92 SER CB C 63.90 0.2 1 531 92 SER N N 117.20 0.2 1 532 93 HIS H H 8.60 0.02 1 533 93 HIS HA H 4.76 0.02 1 534 93 HIS C C 173.90 0.2 1 535 93 HIS CA C 55.00 0.2 1 536 93 HIS CB C 29.10 0.2 1 537 93 HIS N N 120.60 0.2 1 538 94 ALA H H 8.35 0.02 1 539 94 ALA HA H 4.32 0.02 1 540 94 ALA C C 177.70 0.2 1 541 94 ALA CA C 52.50 0.2 1 542 94 ALA CB C 19.30 0.2 1 543 94 ALA N N 125.30 0.2 1 544 95 THR H H 8.28 0.02 1 545 95 THR HA H 4.29 0.02 1 546 95 THR C C 174.30 0.2 1 547 95 THR CA C 61.80 0.2 1 548 95 THR CB C 70.00 0.2 1 549 95 THR N N 115.10 0.2 1 550 96 LYS H H 8.39 0.02 1 551 96 LYS HA H 4.29 0.02 1 552 96 LYS C C 176.20 0.2 1 553 96 LYS CA C 56.10 0.2 1 554 96 LYS CB C 33.20 0.2 1 555 96 LYS N N 124.30 0.2 1 556 97 HIS H H 8.57 0.02 1 557 97 HIS HA H 4.70 0.02 1 558 97 HIS C C 174.00 0.2 1 559 97 HIS CA C 54.90 0.2 1 560 97 HIS CB C 29.30 0.2 1 561 97 HIS N N 120.50 0.2 1 562 98 LYS H H 8.51 0.02 1 563 98 LYS HA H 4.31 0.02 1 564 98 LYS C C 176.10 0.2 1 565 98 LYS CA C 56.30 0.2 1 566 98 LYS CB C 33.20 0.2 1 567 98 LYS N N 124.20 0.2 1 568 99 ILE H H 8.33 0.02 1 569 99 ILE HA H 4.11 0.02 1 570 99 ILE C C 174.50 0.2 1 571 99 ILE CA C 58.60 0.2 1 572 99 ILE CB C 38.70 0.2 1 573 99 ILE N N 125.00 0.2 1 574 100 PRO C C 177.40 0.2 1 575 100 PRO CA C 62.90 0.2 1 576 100 PRO CB C 32.90 0.2 1 577 101 ILE H H 8.19 0.02 1 578 101 ILE HA H 4.05 0.02 1 579 101 ILE C C 176.20 0.2 1 580 101 ILE CA C 61.50 0.2 1 581 101 ILE CB C 38.70 0.2 1 582 101 ILE N N 122.40 0.2 1 583 102 LYS H H 8.27 0.02 1 584 102 LYS HA H 4.29 0.02 1 585 102 LYS C C 176.10 0.2 1 586 102 LYS CA C 56.40 0.2 1 587 102 LYS CB C 33.00 0.2 1 588 102 LYS N N 124.90 0.2 1 589 103 TYR H H 8.11 0.02 1 590 103 TYR HA H 4.54 0.02 1 591 103 TYR C C 175.60 0.2 1 592 103 TYR CA C 58.10 0.2 1 593 103 TYR CB C 38.70 0.2 1 594 103 TYR N N 121.80 0.2 1 595 104 LEU H H 8.08 0.02 1 596 104 LEU HA H 4.25 0.02 1 597 104 LEU C C 177.00 0.2 1 598 104 LEU CA C 55.20 0.2 1 599 104 LEU CB C 42.40 0.2 1 600 104 LEU N N 123.50 0.2 1 601 105 GLU H H 8.10 0.02 1 602 105 GLU HA H 4.25 0.02 1 603 105 GLU C C 175.60 0.2 1 604 105 GLU CA C 56.00 0.2 1 605 105 GLU CB C 28.90 0.2 1 606 105 GLU N N 120.60 0.2 1 607 106 PHE H H 8.15 0.02 1 608 106 PHE HA H 4.60 0.02 1 609 106 PHE C C 175.60 0.2 1 610 106 PHE CA C 57.90 0.2 1 611 106 PHE CB C 39.50 0.2 1 612 106 PHE N N 121.20 0.2 1 613 107 ILE H H 8.01 0.02 1 614 107 ILE HA H 4.08 0.02 1 615 107 ILE C C 176.00 0.2 1 616 107 ILE CA C 61.20 0.2 1 617 107 ILE CB C 38.70 0.2 1 618 107 ILE N N 122.80 0.2 1 619 108 SER H H 8.20 0.02 1 620 108 SER HA H 4.35 0.02 1 621 108 SER C C 174.80 0.2 1 622 108 SER CA C 58.60 0.2 1 623 108 SER CB C 63.80 0.2 1 624 108 SER N N 119.20 0.2 1 625 109 GLU H H 8.32 0.02 1 626 109 GLU HA H 4.29 0.02 1 627 109 GLU C C 175.90 0.2 1 628 109 GLU CA C 56.10 0.2 1 629 109 GLU CB C 28.70 0.2 1 630 109 GLU N N 122.40 0.2 1 631 110 ALA H H 8.17 0.02 1 632 110 ALA HA H 4.27 0.02 1 633 110 ALA C C 177.90 0.2 1 634 110 ALA CA C 53.00 0.2 1 635 110 ALA CB C 18.80 0.2 1 636 110 ALA N N 124.40 0.2 1 637 111 ILE H H 7.97 0.02 1 638 111 ILE HA H 4.07 0.02 1 639 111 ILE C C 176.30 0.2 1 640 111 ILE CA C 61.40 0.2 1 641 111 ILE CB C 38.40 0.2 1 642 111 ILE N N 119.90 0.2 1 643 112 ILE H H 8.04 0.02 1 644 112 ILE HA H 4.04 0.02 1 645 112 ILE C C 176.20 0.2 1 646 112 ILE CA C 61.30 0.2 1 647 112 ILE CB C 38.40 0.2 1 648 112 ILE N N 124.20 0.2 1 649 113 HIS H H 8.53 0.02 1 650 113 HIS HA H 4.73 0.02 1 651 113 HIS C C 174.30 0.2 1 652 113 HIS CA C 55.20 0.2 1 653 113 HIS CB C 28.90 0.2 1 654 113 HIS N N 122.50 0.2 1 655 114 VAL H H 8.17 0.02 1 656 114 VAL HA H 4.10 0.02 1 657 114 VAL C C 175.90 0.2 1 658 114 VAL CA C 62.60 0.2 1 659 114 VAL CB C 32.70 0.2 1 660 114 VAL N N 122.20 0.2 1 661 115 LEU H H 8.35 0.02 1 662 115 LEU HA H 4.29 0.02 1 663 115 LEU C C 177.20 0.2 1 664 115 LEU CA C 55.20 0.2 1 665 115 LEU CB C 42.50 0.2 1 666 115 LEU N N 125.80 0.2 1 667 116 HIS H H 8.52 0.02 1 668 116 HIS HA H 4.74 0.02 1 669 116 HIS C C 174.30 0.2 1 670 116 HIS CA C 55.10 0.2 1 671 116 HIS CB C 28.90 0.2 1 672 116 HIS N N 119.20 0.2 1 673 117 SER H H 8.27 0.02 1 674 117 SER HA H 4.44 0.02 1 675 117 SER C C 174.30 0.2 1 676 117 SER CA C 58.30 0.2 1 677 117 SER CB C 64.00 0.2 1 678 117 SER N N 116.90 0.2 1 679 118 ARG H H 8.43 0.02 1 680 118 ARG HA H 4.32 0.02 1 681 118 ARG C C 175.80 0.2 1 682 118 ARG CA C 56.10 0.2 1 683 118 ARG CB C 30.90 0.2 1 684 118 ARG N N 122.60 0.2 1 685 119 HIS H H 8.53 0.02 1 686 119 HIS HA H 4.98 0.02 1 687 119 HIS C C 178.90 0.2 1 688 119 HIS CA C 53.20 0.2 1 689 119 HIS CB C 28.80 0.2 1 690 119 HIS N N 120.20 0.2 1 691 120 PRO C C 177.40 0.2 1 692 120 PRO CA C 63.60 0.2 1 693 120 PRO CB C 32.20 0.2 1 694 121 GLY H H 8.50 0.02 1 695 121 GLY HA2 H 3.90 0.02 1 696 121 GLY C C 173.70 0.2 1 697 121 GLY CA C 45.20 0.2 1 698 121 GLY N N 109.30 0.2 1 699 122 ASP H H 8.17 0.02 1 700 122 ASP HA H 4.70 0.02 1 701 122 ASP C C 175.10 0.2 1 702 122 ASP CA C 52.80 0.2 1 703 122 ASP CB C 38.50 0.2 1 704 122 ASP N N 118.80 0.2 1 705 123 PHE H H 8.25 0.02 1 706 123 PHE HA H 4.60 0.02 1 707 123 PHE C C 176.30 0.2 1 708 123 PHE CA C 58.00 0.2 1 709 123 PHE CB C 39.50 0.2 1 710 123 PHE N N 120.90 0.2 1 711 124 GLY H H 8.34 0.02 1 712 124 GLY HA2 H 3.88 0.02 1 713 124 GLY C C 174.10 0.2 1 714 124 GLY CA C 45.30 0.2 1 715 124 GLY N N 110.30 0.2 1 716 125 ALA H H 8.14 0.02 1 717 125 ALA HA H 4.26 0.02 1 718 125 ALA C C 177.90 0.2 1 719 125 ALA CA C 52.90 0.2 1 720 125 ALA CB C 19.10 0.2 1 721 125 ALA N N 123.60 0.2 1 722 126 ASP H H 8.43 0.02 1 723 126 ASP HA H 4.68 0.02 1 724 126 ASP C C 175.30 0.2 1 725 126 ASP CA C 53.10 0.2 1 726 126 ASP CB C 38.30 0.2 1 727 126 ASP N N 117.60 0.2 1 728 127 ALA H H 8.17 0.02 1 729 127 ALA HA H 4.27 0.02 1 730 127 ALA C C 178.00 0.2 1 731 127 ALA CA C 53.00 0.2 1 732 127 ALA CB C 19.10 0.2 1 733 127 ALA N N 124.40 0.2 1 734 128 GLN H H 8.31 0.02 1 735 128 GLN HA H 4.27 0.02 1 736 128 GLN C C 176.90 0.2 1 737 128 GLN CA C 56.50 0.2 1 738 128 GLN CB C 29.70 0.2 1 739 128 GLN N N 118.90 0.2 1 740 129 GLY H H 8.32 0.02 1 741 129 GLY HA2 H 3.93 0.02 1 742 129 GLY C C 174.40 0.2 1 743 129 GLY CA C 45.50 0.2 1 744 129 GLY N N 109.40 0.2 1 745 130 ALA H H 8.12 0.02 1 746 130 ALA HA H 4.29 0.02 1 747 130 ALA C C 178.40 0.2 1 748 130 ALA CA C 53.10 0.2 1 749 130 ALA CB C 19.10 0.2 1 750 130 ALA N N 123.70 0.2 1 751 131 MET H H 8.29 0.02 1 752 131 MET HA H 4.39 0.02 1 753 131 MET C C 176.40 0.2 1 754 131 MET CA C 56.10 0.2 1 755 131 MET CB C 32.50 0.2 1 756 131 MET N N 119.00 0.2 1 757 132 ASN H H 8.29 0.02 1 758 132 ASN HA H 4.63 0.02 1 759 132 ASN C C 176.00 0.2 1 760 132 ASN CA C 53.90 0.2 1 761 132 ASN CB C 38.50 0.2 1 762 132 ASN N N 119.60 0.2 1 763 133 LYS H H 8.28 0.02 1 764 133 LYS HA H 4.20 0.02 1 765 133 LYS C C 177.20 0.2 1 766 133 LYS CA C 57.70 0.2 1 767 133 LYS CB C 32.60 0.2 1 768 133 LYS N N 122.20 0.2 1 769 134 ALA H H 8.13 0.02 1 770 134 ALA HA H 4.24 0.02 1 771 134 ALA C C 178.80 0.2 1 772 134 ALA CA C 53.60 0.2 1 773 134 ALA CB C 18.80 0.2 1 774 134 ALA N N 123.10 0.2 1 775 135 LEU H H 7.99 0.02 1 776 135 LEU HA H 4.27 0.02 1 777 135 LEU C C 178.10 0.2 1 778 135 LEU CA C 56.10 0.2 1 779 135 LEU CB C 42.10 0.2 1 780 135 LEU N N 119.90 0.2 1 781 136 GLU H H 8.08 0.02 1 782 136 GLU HA H 4.21 0.02 1 783 136 GLU C C 176.80 0.2 1 784 136 GLU CA C 56.90 0.2 1 785 136 GLU CB C 28.30 0.2 1 786 136 GLU N N 119.70 0.2 1 787 137 LEU H H 7.98 0.02 1 788 137 LEU HA H 4.18 0.02 1 789 137 LEU C C 177.50 0.2 1 790 137 LEU CA C 56.10 0.2 1 791 137 LEU CB C 42.10 0.2 1 792 137 LEU N N 121.70 0.2 1 793 138 PHE H H 8.06 0.02 1 794 138 PHE HA H 4.53 0.02 1 795 138 PHE C C 176.30 0.2 1 796 138 PHE CA C 58.60 0.2 1 797 138 PHE CB C 39.30 0.2 1 798 138 PHE N N 120.10 0.2 1 799 139 ARG H H 8.12 0.02 1 800 139 ARG HA H 4.27 0.02 1 801 139 ARG C C 176.80 0.2 1 802 139 ARG CA C 57.00 0.2 1 803 139 ARG CB C 30.70 0.2 1 804 139 ARG N N 121.00 0.2 1 805 140 LYS H H 8.15 0.02 1 806 140 LYS HA H 4.20 0.02 1 807 140 LYS C C 176.90 0.2 1 808 140 LYS CA C 57.30 0.2 1 809 140 LYS CB C 32.90 0.2 1 810 140 LYS N N 121.20 0.2 1 811 141 ASP H H 8.37 0.02 1 812 141 ASP HA H 4.66 0.02 1 813 141 ASP C C 175.80 0.2 1 814 141 ASP CA C 53.60 0.2 1 815 141 ASP CB C 38.10 0.2 1 816 141 ASP N N 119.70 0.2 1 817 142 ILE H H 8.00 0.02 1 818 142 ILE HA H 4.05 0.02 1 819 142 ILE C C 176.30 0.2 1 820 142 ILE CA C 61.80 0.2 1 821 142 ILE CB C 38.30 0.2 1 822 142 ILE N N 121.10 0.2 1 823 143 ALA H H 8.12 0.02 1 824 143 ALA HA H 4.25 0.02 1 825 143 ALA C C 178.10 0.2 1 826 143 ALA CA C 53.00 0.2 1 827 143 ALA CB C 19.00 0.2 1 828 143 ALA N N 126.10 0.2 1 829 144 ALA H H 8.02 0.02 1 830 144 ALA HA H 4.18 0.02 1 831 144 ALA C C 178.20 0.2 1 832 144 ALA CA C 53.10 0.2 1 833 144 ALA CB C 19.00 0.2 1 834 144 ALA N N 122.20 0.2 1 835 145 LYS H H 8.01 0.02 1 836 145 LYS HA H 4.14 0.02 1 837 145 LYS C C 176.70 0.2 1 838 145 LYS CA C 57.00 0.2 1 839 145 LYS CB C 32.70 0.2 1 840 145 LYS N N 119.20 0.2 1 841 146 TYR H H 7.91 0.02 1 842 146 TYR HA H 4.50 0.02 1 843 146 TYR C C 176.00 0.2 1 844 146 TYR CA C 58.00 0.2 1 845 146 TYR CB C 38.50 0.2 1 846 146 TYR N N 119.50 0.2 1 847 147 LYS H H 8.01 0.02 1 848 147 LYS HA H 4.18 0.02 1 849 147 LYS C C 176.40 0.2 1 850 147 LYS CA C 56.80 0.2 1 851 147 LYS CB C 32.90 0.2 1 852 147 LYS N N 122.10 0.2 1 853 148 GLU H H 8.14 0.02 1 854 148 GLU HA H 4.31 0.02 1 855 148 GLU C C 176.10 0.2 1 856 148 GLU CA C 55.90 0.2 1 857 148 GLU CB C 28.70 0.2 1 858 148 GLU N N 120.50 0.2 1 859 149 LEU H H 8.22 0.02 1 860 149 LEU HA H 4.31 0.02 1 861 149 LEU C C 177.80 0.2 1 862 149 LEU CA C 55.50 0.2 1 863 149 LEU CB C 42.40 0.2 1 864 149 LEU N N 122.90 0.2 1 865 150 GLY H H 8.31 0.02 1 866 150 GLY HA2 H 3.91 0.02 1 867 150 GLY C C 173.90 0.2 1 868 150 GLY CA C 45.20 0.2 1 869 150 GLY N N 109.10 0.2 1 870 151 TYR H H 8.01 0.02 1 871 151 TYR HA H 4.52 0.02 1 872 151 TYR C C 175.70 0.2 1 873 151 TYR CA C 58.20 0.2 1 874 151 TYR CB C 38.80 0.2 1 875 151 TYR N N 120.30 0.2 1 876 152 GLN H H 8.29 0.02 1 877 152 GLN HA H 4.29 0.02 1 878 152 GLN C C 175.50 0.2 1 879 152 GLN CA C 55.40 0.2 1 880 152 GLN CB C 29.30 0.2 1 881 152 GLN N N 123.30 0.2 1 882 153 GLY H H 7.58 0.02 1 883 153 GLY HA2 H 3.88 0.02 1 884 153 GLY C C 176.10 0.2 1 885 153 GLY CA C 44.20 0.2 1 886 153 GLY N N 110.70 0.2 1 stop_ save_