data_7076 #Corrected using PDB structure: 108M_ # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 59 E N 119.41 131.35 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A 1.86 N/A 1.50 -2.28 -0.27 # #bmr7076.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr7076.str file): #HA CA CB CO N HN #N/A +1.86 N/A +1.50 -2.28 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.22 N/A +/-0.20 +/-0.50 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.939 N/A 0.771 0.784 0.502 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.964 N/A 0.831 2.121 0.240 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H\, 13C\, and 15N Chemical Shift Assignments for (1-77) N-terminal apomyoglobin fragment ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajagopalan Senapathy . . 2 Fulmer Eric C. . 3 Cavagnero Silvia . . stop_ _BMRB_accession_number 7076 _BMRB_flat_file_name bmr7076.str _Entry_type new _Submission_date 2006-04-18 _Accession_date 2006-04-19 _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" 74 "13C chemical shifts" 148 "15N chemical shifts" 74 stop_ loop_ _Related_BMRB_accession_number _Relationship 7077 (1-119)apoMb stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Secondary structure mapping of DnaK-bound protein fragments: chain helicity and local helix unwinding at the binding site ; _Citation_status published _Citation_type journal _PubMed_ID 17014085 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Zhongjing . . 2 Kurt Nese . . 3 Rajagopalan Senapathy . . 4 Cavagnero Silvia . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 40 _Page_first 12325 _Page_last 12333 _Year 2006 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name (1-77)apoMb _Abbreviation_common (1-77)apoMb loop_ _Mol_system_component_name _Mol_label (1-77)apoMb $(1-77)_N-terminal_apomyoglobin_polypeptide stop_ _System_physical_state unfolded _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" save_ ######################## # Monomeric polymers # ######################## save_(1-77)_N-terminal_apomyoglobin_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common (1-77)apoMb _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKHGVTVLTALGAILK ; 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 stop_ _Sequence_homology_query_date 2008-06-26 _Sequence_homology_query_revised_last_date 2008-06-26 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 3.36e-36 BMRB 1029 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1200 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1413 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1455 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1457 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1459 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1461 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1463 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1465 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1467 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1469 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1471 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 1752 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2345 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2346 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2347 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2348 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2431 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2432 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2433 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 2434 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 291 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 292 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 293 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 40 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 4061 apomyoglobin 100.00 154 100.00 100.00 3.12e-36 BMRB 4062 apomyoglobin 100.00 154 100.00 100.00 3.12e-36 BMRB 426 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 4568 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 4676 "unfolded myoglobin" 100.00 153 100.00 100.00 3.36e-36 BMRB 4695 myoglobin 100.00 153 98.70 98.70 3.12e-35 BMRB 5158 apomyoglobin 100.00 153 100.00 100.00 3.78e-36 BMRB 7077 (1-119)apoMb 100.00 119 100.00 100.00 4.11e-36 BMRB 823 myoglobin 100.00 153 100.00 100.00 3.36e-36 BMRB 824 myoglobin 100.00 153 100.00 100.00 3.36e-36 PDB 101M "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 98.70 1.81e-35 PDB 102M "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" 100.00 154 98.70 98.70 2.85e-35 PDB 103M "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 98.70 2.85e-35 PDB 104M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" 100.00 153 100.00 100.00 3.36e-36 PDB 105M "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" 100.00 153 100.00 100.00 3.36e-36 PDB 106M "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" 100.00 154 98.70 98.70 9.00e-36 PDB 107M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" 100.00 154 98.70 98.70 9.00e-36 PDB 108M "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" 100.00 154 98.70 98.70 9.00e-36 PDB 109M "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.55e-36 PDB 110M "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.55e-36 PDB 111M "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.55e-36 PDB 112M "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" 100.00 154 100.00 100.00 2.55e-36 PDB 1A6G "Carbonmonoxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 2.94e-36 PDB 1A6K "Aquomet-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.17e-36 PDB 1A6M "Oxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.17e-36 PDB 1A6N "Deoxy-Myoglobin, Atomic Resolution" 100.00 151 100.00 100.00 3.17e-36 PDB 1ABS "Photolysed Carbonmonoxy-Myoglobin At 20 K" 100.00 154 100.00 100.00 2.55e-36 PDB 1AJG "Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 3.36e-36 PDB 1AJH "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" 100.00 153 100.00 100.00 3.36e-36 PDB 1BVC "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" 100.00 153 100.00 100.00 3.36e-36 PDB 1BVD "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" 100.00 153 100.00 100.00 3.36e-36 PDB 1BZ6 "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" 100.00 153 100.00 100.00 3.36e-36 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 3.36e-36 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 3.36e-36 PDB 1CH1 "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" 100.00 154 100.00 100.00 2.80e-36 PDB 1CH2 "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" 100.00 154 100.00 100.00 2.73e-36 PDB 1CH3 "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" 100.00 154 100.00 100.00 3.97e-36 PDB 1CH5 "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" 100.00 154 100.00 100.00 2.20e-36 PDB 1CH7 "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" 100.00 154 100.00 100.00 2.33e-36 PDB 1CH9 "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" 100.00 154 100.00 100.00 2.33e-36 PDB 1CIK "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" 100.00 154 100.00 100.00 2.35e-36 PDB 1CIO "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" 100.00 154 100.00 100.00 2.64e-36 PDB 1CO8 "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" 100.00 154 100.00 100.00 2.60e-36 PDB 1CO9 "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" 100.00 154 100.00 100.00 2.62e-36 PDB 1CP0 "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" 100.00 154 100.00 100.00 2.22e-36 PDB 1CP5 "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" 100.00 154 100.00 100.00 2.73e-36 PDB 1CPW "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" 100.00 154 100.00 100.00 3.97e-36 PDB 1CQ2 "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" 100.00 153 100.00 100.00 3.12e-36 PDB 1DO1 "Carbonmonoxy-Myoglobin Mutant L29w At 105k" 100.00 154 98.70 98.70 2.31e-35 PDB 1DO3 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" 100.00 154 98.70 98.70 2.31e-35 PDB 1DO4 "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" 100.00 154 98.70 98.70 2.31e-35 PDB 1DO7 "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" 100.00 154 98.70 98.70 2.31e-35 PDB 1DTI "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" 100.00 154 100.00 100.00 2.49e-36 PDB 1DTM "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" 100.00 153 100.00 100.00 3.31e-36 PDB 1DUK "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1DUO "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." 100.00 153 100.00 100.00 3.31e-36 PDB 1EBC "Sperm Whale Met-Myoglobin:cyanide Complex" 100.00 153 100.00 100.00 3.36e-36 PDB 1F6H "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" 100.00 153 100.00 100.00 3.36e-36 PDB 1H1X "Sperm Whale Myoglobin Mutant T67r S92d" 100.00 154 98.70 98.70 1.39e-35 PDB 1HJT "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 153 100.00 100.00 3.36e-36 PDB 1IOP "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1IRC "Cysteine Rich Intestinal Protein" 100.00 154 100.00 100.00 3.07e-36 PDB 1J3F "Crystal Structure Of An Artificial Metalloprotein:cr(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.70 98.70 9.08e-36 PDB 1J52 "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" 100.00 154 100.00 100.00 2.55e-36 PDB 1JDO "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" 100.00 154 98.70 98.70 6.29e-36 PDB 1JP6 "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" 100.00 153 100.00 100.00 3.36e-36 PDB 1JP8 "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" 100.00 153 100.00 100.00 3.36e-36 PDB 1JP9 "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 3.36e-36 PDB 1JPB "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" 100.00 153 100.00 100.00 3.36e-36 PDB 1JW8 "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" 100.00 154 100.00 100.00 2.55e-36 PDB 1L2K "Neutron Structure Determination Of Sperm Whale Met- Myoglobin At 1.5a Resolution." 100.00 153 100.00 100.00 3.36e-36 PDB 1LTW "Recombinant Sperm Whale Myoglobin 29w Mutant (Oxy)" 100.00 154 98.70 98.70 2.11e-35 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 3.36e-36 PDB 1MBD "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" 100.00 153 100.00 100.00 3.36e-36 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 3.36e-36 PDB 1MBN "The Stereochemistry Of The Protein Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1MBO "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" 100.00 153 100.00 100.00 3.36e-36 PDB 1MGN "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" 100.00 154 98.70 100.00 8.63e-36 PDB 1MLF "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 7.81e-36 PDB 1MLG "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 7.81e-36 PDB 1MLH "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 7.81e-36 PDB 1MLJ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 9.00e-36 PDB 1MLK "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 9.00e-36 PDB 1MLL "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 98.70 9.00e-36 PDB 1MLM "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 3.36e-36 PDB 1MLN "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 3.36e-36 PDB 1MLO "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 3.36e-36 PDB 1MLQ "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 6.50e-36 PDB 1MLR "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 6.50e-36 PDB 1MLS "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" 100.00 154 98.70 100.00 6.50e-36 PDB 1MOA "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 98.70 6.29e-36 PDB 1MOB "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 3.23e-35 PDB 1MOC "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 2.73e-35 PDB 1MOD "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 2.73e-35 PDB 1MTI "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.33e-35 PDB 1MTJ "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.81e-35 PDB 1MTK "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.81e-35 PDB 1MYF "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" 100.00 153 100.00 100.00 3.36e-36 PDB 1MYM "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" 100.00 154 98.70 98.70 1.81e-35 PDB 1SPE "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" 100.00 153 100.00 100.00 3.36e-36 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 3.36e-36 PDB 1TES "Oxygen Binding Muscle Protein" 100.00 154 100.00 100.00 2.55e-36 PDB 1U7R "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (Form2 )" 100.00 153 100.00 100.00 3.36e-36 PDB 1U7S "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (Form 1)" 100.00 153 100.00 100.00 3.36e-36 PDB 1UFJ "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.70 98.70 9.08e-36 PDB 1UFP "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" 100.00 154 100.00 100.00 3.12e-36 PDB 1V9Q "Crystal Structure Of An Artificial Metalloprotein:mn(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" 100.00 154 98.70 98.70 9.08e-36 PDB 1VXA "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXB "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXC "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXD "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXE "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXF "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXG "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1VXH "Native Sperm Whale Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 1WVP "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" 100.00 153 98.70 98.70 3.09e-35 PDB 1YOG "Cobalt Myoglobin (Deoxy)" 100.00 153 100.00 100.00 3.36e-36 PDB 1YOH "Cobalt Myoglobin (Met)" 100.00 153 100.00 100.00 3.36e-36 PDB 1YOI "Cobalt Myoglobin (Oxy)" 100.00 153 100.00 100.00 3.36e-36 PDB 2BLH "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" 100.00 153 98.70 98.70 2.31e-35 PDB 2BLI "L29w Mb Deoxy" 100.00 153 98.70 98.70 2.31e-35 PDB 2BLJ "Structure Of L29w Mbco" 100.00 153 98.70 98.70 2.31e-35 PDB 2BW9 "Laue Structure Of L29w Mbco" 100.00 153 98.70 98.70 2.31e-35 PDB 2BWH "Laue Structure Of A Short Lived State Of L29w Myoglobin" 100.00 153 98.70 98.70 2.31e-35 PDB 2CMM "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" 100.00 153 100.00 100.00 3.36e-36 PDB 2D6C "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" 100.00 153 100.00 100.00 3.36e-36 PDB 2EB8 "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" 100.00 154 100.00 100.00 3.12e-36 PDB 2EB9 "Crystal Structure Of Cu(Ii)(Sal-Leu)APO-Myoglobin" 100.00 154 100.00 100.00 3.12e-36 PDB 2EF2 "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" 100.00 154 98.70 98.70 9.08e-36 PDB 2EKT "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl- 6-Depropionatehemin" 100.00 153 100.00 100.00 3.36e-36 PDB 2EKU "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl- 7-Depropionatehemin" 100.00 153 100.00 100.00 3.36e-36 PDB 2EVK "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound Heme Proteins" 100.00 153 100.00 100.00 3.31e-36 PDB 2EVP "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound Heme Proteins" 100.00 153 100.00 100.00 3.31e-36 PDB 2G0R "Unphotolyzed Co-Bound L29f Myoglobin" 100.00 154 98.70 98.70 6.29e-36 PDB 2G0S "Unphotolyzed Co-Bound L29f Myoglobin, Crystal 2" 100.00 154 98.70 98.70 6.29e-36 PDB 2G0V "Photolyzed Co L29f Myoglobin: 100ps" 100.00 154 98.70 98.70 6.29e-36 PDB 2G0X "Photolyzed Co L29f Myoglobin: 316ps" 100.00 154 98.70 98.70 6.29e-36 PDB 2G0Z "Photolyzed Co L29f Myoglobin: 1ns" 100.00 154 98.70 98.70 6.29e-36 PDB 2G10 "Photolyzed Co L29f Myoglobin: 3.16ns" 100.00 154 98.70 98.70 6.29e-36 PDB 2G11 "Photolyzed Co L29f Myoglobin: 31.6ns" 100.00 154 98.70 98.70 6.29e-36 PDB 2G12 "Photolyzed Co L29f Myoglobin: 316ns" 100.00 154 98.70 98.70 6.29e-36 PDB 2G14 "Photolyzed Co L29f Myoglobin: 3.16us" 100.00 154 98.70 98.70 6.29e-36 PDB 2JHO "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" 100.00 154 100.00 100.00 3.12e-36 PDB 2MB5 "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" 98.70 153 100.00 100.00 1.02e-35 PDB 2MBW "Recombinant Sperm Whale Myoglobin (Met)" 100.00 154 100.00 100.00 2.55e-36 PDB 2MGA "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 3.23e-35 PDB 2MGB "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 3.23e-35 PDB 2MGC "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 4.21e-35 PDB 2MGD "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 4.21e-35 PDB 2MGE "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 4.21e-35 PDB 2MGF "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.57e-35 PDB 2MGG "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.57e-35 PDB 2MGH "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 1.57e-35 PDB 2MGI "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 2.73e-35 PDB 2MGJ "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 98.70 98.70 4.32e-35 PDB 2MGK "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.55e-36 PDB 2MGL "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.55e-36 PDB 2MGM "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" 100.00 154 100.00 100.00 2.55e-36 PDB 2MYA "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 3.36e-36 PDB 2MYB "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 3.36e-36 PDB 2MYC "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 3.36e-36 PDB 2MYD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 3.36e-36 PDB 2MYE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 100.00 153 100.00 100.00 3.36e-36 PDB 2OH8 "Myoglobin Cavity Mutant I28w" 100.00 154 98.70 98.70 3.36e-35 PDB 2OH9 "Myoglobin Cavity Mutant V68w" 100.00 154 98.70 98.70 3.15e-35 PDB 2OHA "Myoglobin Cavity Mutant F138w" 100.00 154 100.00 100.00 3.91e-36 PDB 2OHB "Myoglobin Cavity Mutant I107w" 100.00 154 100.00 100.00 4.32e-36 PDB 2SPL "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 98.70 6.29e-36 PDB 2SPM "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 98.70 6.29e-36 PDB 2SPN "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 98.70 6.29e-36 PDB 2SPO "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" 100.00 154 98.70 100.00 5.98e-36 PDB 2Z6S "Crystal Structure Of The Oxy Myoglobin Free From X-Ray- Induced Photoreduction" 100.00 153 100.00 100.00 3.36e-36 PDB 2Z6T "Crystal Structure Of The Ferric Peroxo Myoglobin" 100.00 153 100.00 100.00 3.36e-36 PDB 4MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 3.36e-36 PDB 5MBN "Refinement Of Myoglobin And Cytochrome C" 100.00 153 100.00 100.00 3.36e-36 DBJ BAF03579 "myoglobin [Physeter catodon]" 100.00 154 100.00 100.00 3.12e-36 GenBank AAA72199 "synthetic myoglobin" 100.00 154 100.00 100.00 2.55e-36 PRF 742482A myoglobin 100.00 153 100.00 100.00 2.78e-36 SWISS-PROT P02185 Myoglobin 100.00 154 100.00 100.00 3.12e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $(1-77)_N-terminal_apomyoglobin_polypeptide "E. coli" 562 Eubacteria ? Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $(1-77)_N-terminal_apomyoglobin_polypeptide "recombinant technology" "E. coli" ? ? ? ? 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 _Isotopic_labeling $(1-77)_N-terminal_apomyoglobin_polypeptide 0.5 mM "[U->98% 13C; U->98% 15N]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H15N HSQC HNCA (HCA)CO(CA)NH HNCO ; save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name "1H15N HSQC" _Sample_label $sample_1 save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_(HCA)CO(CA)NH _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label $sample_1 save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.4 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details ; An external DSS sample prepared under identical conditions was used for referencing 1H.13C and 15N dimension was performed indirectly. ; 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 H 1 "methyl protons" ppm 0.0 internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label $1H15N_HSQC $HNCA $(HCA)CO(CA)NH $HNCO stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name (1-77)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 8.66 0.006 1 2 1 VAL C C 177.01 0.2 1 3 1 VAL CA C 64.28 0.3 1 4 1 VAL N N 121.46 0.07 1 5 2 LEU H H 8.50 0.006 1 6 2 LEU C C 178.60 0.2 1 7 2 LEU CA C 56.84 0.3 1 8 2 LEU N N 124.68 0.07 1 9 3 SER H H 8.33 0.006 1 10 3 SER C C 176.21 0.2 1 11 3 SER CA C 59.91 0.3 1 12 3 SER N N 114.77 0.07 1 13 4 GLU H H 8.58 0.006 1 14 4 GLU C C 178.47 0.2 1 15 4 GLU CA C 58.80 0.3 1 16 4 GLU N N 119.87 0.07 1 17 5 GLY H H 8.50 0.006 1 18 5 GLY C C 176.41 0.2 1 19 5 GLY CA C 47.70 0.3 1 20 5 GLY N N 106.37 0.07 1 21 6 GLU H H 8.16 0.006 1 22 6 GLU C C 178.23 0.2 1 23 6 GLU CA C 58.76 0.3 1 24 6 GLU N N 118.07 0.07 1 25 7 TRP H H 8.25 0.006 1 26 7 TRP C C 178.22 0.2 1 27 7 TRP CA C 60.16 0.3 1 28 7 TRP N N 118.67 0.07 1 29 8 GLN H H 8.17 0.006 1 30 8 GLN C C 178.01 0.2 1 31 8 GLN CA C 58.89 0.3 1 32 8 GLN N N 117.04 0.07 1 33 9 LEU H H 7.90 0.006 1 34 9 LEU C C 179.32 0.2 1 35 9 LEU CA C 58.21 0.3 1 36 9 LEU N N 119.30 0.07 1 37 10 VAL H H 7.99 0.006 1 38 10 VAL CA C 65.29 0.3 1 39 10 VAL N N 117.96 0.07 1 40 11 LEU C C 179.08 0.2 1 41 12 HIS H H 8.29 0.006 1 42 12 HIS C C 176.24 0.2 1 43 12 HIS CA C 57.80 0.3 1 44 12 HIS N N 115.48 0.07 1 45 13 VAL H H 8.07 0.006 1 46 13 VAL CA C 64.99 0.3 1 47 13 VAL N N 118.14 0.07 1 48 14 TRP C C 177.64 0.2 1 49 15 ALA H H 8.17 0.006 1 50 15 ALA C C 179.20 0.2 1 51 15 ALA CA C 54.77 0.3 1 52 15 ALA N N 121.88 0.07 1 53 16 LYS H H 8.05 0.006 1 54 16 LYS C C 178.44 0.2 1 55 16 LYS CA C 58.73 0.3 1 56 16 LYS N N 117.57 0.07 1 57 17 VAL H H 8.09 0.006 1 58 17 VAL CA C 64.72 0.3 1 59 17 VAL N N 118.26 0.07 1 60 18 GLU H H 8.38 0.006 1 61 18 GLU C C 177.44 0.2 1 62 18 GLU CA C 58.01 0.3 1 63 18 GLU N N 120.86 0.07 1 64 19 ALA H H 8.22 0.006 1 65 19 ALA C C 179.17 0.2 1 66 19 ALA CA C 54.85 0.3 1 67 19 ALA N N 121.76 0.07 1 68 20 ASP H H 8.37 0.006 1 69 20 ASP C C 177.05 0.2 1 70 20 ASP CA C 55.18 0.3 1 71 20 ASP N N 115.48 0.07 1 72 21 VAL H H 8.04 0.006 1 73 21 VAL C C 177.64 0.2 1 74 21 VAL CA C 64.49 0.3 1 75 21 VAL N N 117.64 0.07 1 76 22 ALA H H 8.34 0.006 1 77 22 ALA C C 179.83 0.2 1 78 22 ALA CA C 54.79 0.3 1 79 22 ALA N N 124.29 0.07 1 80 23 GLY H H 8.32 0.006 1 81 23 GLY C C 175.88 0.2 1 82 23 GLY CA C 47.37 0.3 1 83 23 GLY N N 105.33 0.07 1 84 24 HIS H H 8.43 0.006 1 85 24 HIS C C 176.61 0.2 1 86 24 HIS CA C 57.36 0.3 1 87 24 HIS N N 115.42 0.07 1 88 25 GLY H H 8.60 0.006 1 89 25 GLY C C 175.82 0.2 1 90 25 GLY CA C 47.58 0.3 1 91 25 GLY N N 107.37 0.07 1 92 26 GLN H H 8.40 0.006 1 93 26 GLN C C 177.57 0.2 1 94 26 GLN CA C 58.29 0.3 1 95 26 GLN N N 117.48 0.07 1 96 27 ASP H H 8.58 0.006 1 97 27 ASP C C 177.13 0.2 1 98 27 ASP CA C 55.69 0.3 1 99 27 ASP N N 117.81 0.07 1 100 28 ILE H H 8.09 0.006 1 101 28 ILE C C 177.71 0.2 1 102 28 ILE CA C 63.77 0.3 1 103 28 ILE N N 118.52 0.07 1 104 29 LEU H H 8.13 0.006 1 105 29 LEU C C 178.92 0.2 1 106 29 LEU CA C 57.70 0.3 1 107 29 LEU N N 122.25 0.07 1 108 30 ILE H H 8.03 0.006 1 109 30 ILE C C 177.89 0.2 1 110 30 ILE CA C 63.74 0.3 1 111 30 ILE N N 118.74 0.07 1 112 31 ARG H H 8.18 0.006 1 113 31 ARG C C 177.96 0.2 1 114 31 ARG CA C 58.56 0.3 1 115 31 ARG N N 121.13 0.07 1 116 32 LEU H H 8.12 0.006 1 117 32 LEU C C 178.79 0.2 1 118 32 LEU CA C 57.40 0.3 1 119 32 LEU N N 120.23 0.07 1 120 33 PHE H H 8.24 0.006 1 121 33 PHE C C 177.43 0.2 1 122 33 PHE CA C 59.77 0.3 1 123 33 PHE N N 118.21 0.07 1 124 34 LYS H H 8.21 0.006 1 125 34 LYS C C 177.91 0.2 1 126 34 LYS CA C 58.43 0.3 1 127 34 LYS N N 119.87 0.07 1 128 35 SER H H 8.19 0.006 1 129 35 SER C C 175.47 0.2 1 130 35 SER CA C 60.34 0.3 1 131 35 SER N N 113.68 0.07 1 132 36 HIS H H 8.50 0.006 1 133 36 HIS C C 173.82 0.2 1 134 36 HIS CA C 55.41 0.3 1 135 36 HIS N N 117.75 0.07 1 136 37 PRO C C 178.73 0.2 1 137 37 PRO CA C 65.52 0.3 1 138 38 GLU H H 8.73 0.006 1 139 38 GLU C C 178.06 0.2 1 140 38 GLU CA C 58.20 0.3 1 141 38 GLU N N 118.73 0.07 1 142 39 THR H H 8.27 0.006 1 143 39 THR C C 176.07 0.2 1 144 39 THR CA C 64.31 0.3 1 145 39 THR N N 113.82 0.07 1 146 40 LEU H H 8.26 0.006 1 147 40 LEU C C 178.89 0.2 1 148 40 LEU CA C 57.45 0.3 1 149 40 LEU N N 122.27 0.07 1 150 41 GLU H H 8.32 0.006 1 151 41 GLU C C 177.79 0.2 1 152 41 GLU CA C 58.21 0.3 1 153 41 GLU N N 118.81 0.07 1 154 42 LYS H H 8.23 0.006 1 155 42 LYS C C 177.99 0.2 1 156 42 LYS CA C 58.73 0.3 1 157 42 LYS N N 119.44 0.07 1 158 43 PHE H H 8.20 0.006 1 159 43 PHE C C 177.16 0.2 1 160 43 PHE CA C 59.87 0.3 1 161 43 PHE N N 118.24 0.07 1 162 44 ASP H H 8.40 0.006 1 163 44 ASP C C 177.33 0.2 1 164 44 ASP CA C 55.39 0.3 1 165 44 ASP N N 119.02 0.07 1 166 45 ARG H H 8.19 0.006 1 167 45 ARG C C 177.89 0.2 1 168 45 ARG CA C 59.00 0.3 1 169 45 ARG N N 119.28 0.07 1 170 46 PHE H H 8.07 0.006 1 171 46 PHE C C 177.41 0.2 1 172 46 PHE CA C 59.79 0.3 1 173 46 PHE N N 116.97 0.07 1 174 47 LYS H H 8.04 0.006 1 175 47 LYS C C 177.85 0.2 1 176 47 LYS CA C 58.65 0.3 1 177 47 LYS N N 118.99 0.07 1 178 48 HIS H H 8.48 0.006 1 179 48 HIS C C 175.91 0.2 1 180 48 HIS CA C 57.27 0.3 1 181 48 HIS N N 116.90 0.07 1 182 49 LEU H H 8.30 0.006 1 183 49 LEU C C 178.93 0.2 1 184 49 LEU CA C 57.33 0.3 1 185 49 LEU N N 121.35 0.07 1 186 50 LYS H H 8.44 0.006 1 187 50 LYS C C 178.40 0.2 1 188 50 LYS CA C 58.62 0.3 1 189 50 LYS N N 120.15 0.07 1 190 51 THR H H 8.13 0.006 1 191 51 THR C C 176.46 0.2 1 192 51 THR CA C 63.83 0.3 1 193 51 THR N N 112.66 0.07 1 194 52 GLU H H 8.52 0.006 1 195 52 GLU C C 178.05 0.2 1 196 52 GLU CA C 58.84 0.3 1 197 52 GLU N N 120.15 0.07 1 198 53 ALA H H 8.37 0.006 1 199 53 ALA C C 180.05 0.2 1 200 53 ALA CA C 55.36 0.3 1 201 53 ALA N N 121.76 0.07 1 202 54 GLU H H 8.21 0.006 1 203 54 GLU C C 178.44 0.2 1 204 54 GLU CA C 58.48 0.3 1 205 54 GLU N N 116.69 0.07 1 206 55 MET H H 8.37 0.006 1 207 55 MET C C 178.34 0.2 1 208 55 MET CA C 58.39 0.3 1 209 55 MET N N 119.19 0.07 1 210 56 LYS H H 8.31 0.006 1 211 56 LYS C C 178.40 0.2 1 212 56 LYS CA C 58.99 0.3 1 213 56 LYS N N 119.87 0.07 1 214 57 ALA H H 8.27 0.006 1 215 57 ALA C C 179.90 0.2 1 216 57 ALA CA C 55.12 0.3 1 217 57 ALA N N 122.04 0.07 1 218 58 SER H H 8.24 0.006 1 219 58 SER C C 176.69 0.2 1 220 58 SER CA C 60.98 0.3 1 221 58 SER N N 112.16 0.07 1 222 59 GLU H H 8.30 0.006 1 223 59 GLU C C 177.69 0.2 1 224 59 GLU CA C 58.36 0.3 1 225 59 GLU N N 119.41 0.07 1 226 60 ASP H H 8.43 0.006 1 227 60 ASP C C 177.12 0.2 1 228 60 ASP CA C 55.50 0.3 1 229 60 ASP N N 117.50 0.07 1 230 61 LEU H H 8.16 0.006 1 231 61 LEU C C 179.11 0.2 1 232 61 LEU CA C 57.63 0.3 1 233 61 LEU N N 120.31 0.07 1 234 62 LYS H H 8.18 0.006 1 235 62 LYS C C 178.25 0.2 1 236 62 LYS CA C 58.40 0.3 1 237 62 LYS N N 118.74 0.07 1 238 63 LYS H H 8.19 0.006 1 239 63 LYS C C 177.97 0.2 1 240 63 LYS CA C 58.33 0.3 1 241 63 LYS N N 119.28 0.07 1 242 64 HIS H H 8.55 0.006 1 243 64 HIS C C 176.32 0.2 1 244 64 HIS CA C 58.33 0.3 1 245 64 HIS N N 117.14 0.07 1 246 65 GLY H H 8.51 0.006 1 247 65 GLY C C 175.41 0.2 1 248 65 GLY CA C 47.20 0.3 1 249 65 GLY N N 108.06 0.07 1 250 66 VAL H H 8.15 0.006 1 251 66 VAL C C 177.87 0.2 1 252 66 VAL CA C 64.19 0.3 1 253 66 VAL N N 117.11 0.07 1 254 67 THR H H 8.39 0.006 1 255 67 THR C C 175.85 0.2 1 256 67 THR CA C 64.09 0.3 1 257 67 THR N N 117.05 0.07 1 258 68 VAL H H 8.32 0.006 1 259 68 VAL C C 177.35 0.2 1 260 68 VAL CA C 64.22 0.3 1 261 68 VAL N N 121.49 0.07 1 262 69 LEU H H 8.43 0.006 1 263 69 LEU C C 179.07 0.2 1 264 69 LEU CA C 57.20 0.3 1 265 69 LEU N N 123.79 0.07 1 266 70 THR H H 8.13 0.006 1 267 70 THR C C 175.98 0.2 1 268 70 THR CA C 63.77 0.3 1 269 70 THR N N 112.66 0.07 1 270 71 ALA H H 8.36 0.006 1 271 71 ALA C C 179.29 0.2 1 272 71 ALA CA C 54.66 0.3 1 273 71 ALA N N 123.83 0.07 1 274 72 LEU H H 8.21 0.006 1 275 72 LEU C C 179.56 0.2 1 276 72 LEU CA C 57.49 0.3 1 277 72 LEU N N 118.70 0.07 1 278 73 GLY H H 8.35 0.006 1 279 73 GLY C C 175.40 0.2 1 280 73 GLY CA C 47.32 0.3 1 281 73 GLY N N 106.82 0.07 1 282 74 ALA H H 8.04 0.006 1 283 74 ALA C C 179.07 0.2 1 284 74 ALA CA C 54.32 0.3 1 285 74 ALA N N 121.10 0.07 1 286 75 ILE H H 8.12 0.006 1 287 75 ILE C C 177.60 0.2 1 288 75 ILE CA C 63.03 0.3 1 289 75 ILE N N 117.58 0.07 1 290 76 LEU H H 8.31 0.006 1 291 76 LEU C C 178.28 0.2 1 292 76 LEU CA C 56.92 0.3 1 293 76 LEU N N 124.35 0.07 1 294 77 LYS H H 8.30 0.006 1 295 77 LYS CA C 57.68 0.3 1 296 77 LYS N N 121.70 0.07 1 stop_ save_