################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36671 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36671 1 3 '3D HNCA' 1 $sample_1 isotropic 36671 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 36671 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 25 25 ASP H H 1 8.22 0.010 . 1 . . . . A 30 ASP H . 36671 1 2 . 1 . 1 25 25 ASP C C 13 175.64 0.050 . 1 . . . . A 30 ASP C . 36671 1 3 . 1 . 1 25 25 ASP CA C 13 51.58 0.050 . 1 . . . . A 30 ASP CA . 36671 1 4 . 1 . 1 25 25 ASP CB C 13 38.36 0.050 . 1 . . . . A 30 ASP CB . 36671 1 5 . 1 . 1 25 25 ASP N N 15 125.33 0.030 . 1 . . . . A 30 ASP N . 36671 1 6 . 1 . 1 26 26 TYR H H 1 7.47 0.010 . 1 . . . . A 31 TYR H . 36671 1 7 . 1 . 1 26 26 TYR C C 13 176.85 0.050 . 1 . . . . A 31 TYR C . 36671 1 8 . 1 . 1 26 26 TYR CA C 13 60.17 0.050 . 1 . . . . A 31 TYR CA . 36671 1 9 . 1 . 1 26 26 TYR CB C 13 36.82 0.050 . 1 . . . . A 31 TYR CB . 36671 1 10 . 1 . 1 26 26 TYR N N 15 123.61 0.030 . 1 . . . . A 31 TYR N . 36671 1 11 . 1 . 1 27 27 ILE H H 1 7.92 0.010 . 1 . . . . A 32 ILE H . 36671 1 12 . 1 . 1 27 27 ILE C C 13 179.13 0.050 . 1 . . . . A 32 ILE C . 36671 1 13 . 1 . 1 27 27 ILE CA C 13 64.21 0.050 . 1 . . . . A 32 ILE CA . 36671 1 14 . 1 . 1 27 27 ILE CB C 13 35.94 0.050 . 1 . . . . A 32 ILE CB . 36671 1 15 . 1 . 1 27 27 ILE N N 15 118.90 0.030 . 1 . . . . A 32 ILE N . 36671 1 16 . 1 . 1 28 28 GLN H H 1 7.69 0.010 . 1 . . . . A 33 GLN H . 36671 1 17 . 1 . 1 28 28 GLN C C 13 178.58 0.050 . 1 . . . . A 33 GLN C . 36671 1 18 . 1 . 1 28 28 GLN CA C 13 57.62 0.050 . 1 . . . . A 33 GLN CA . 36671 1 19 . 1 . 1 28 28 GLN CB C 13 26.28 0.050 . 1 . . . . A 33 GLN CB . 36671 1 20 . 1 . 1 28 28 GLN N N 15 122.33 0.030 . 1 . . . . A 33 GLN N . 36671 1 21 . 1 . 1 29 29 LEU H H 1 8.19 0.010 . 1 . . . . A 34 LEU H . 36671 1 22 . 1 . 1 29 29 LEU C C 13 179.37 0.050 . 1 . . . . A 34 LEU C . 36671 1 23 . 1 . 1 29 29 LEU CA C 13 57.35 0.050 . 1 . . . . A 34 LEU CA . 36671 1 24 . 1 . 1 29 29 LEU CB C 13 40.30 0.050 . 1 . . . . A 34 LEU CB . 36671 1 25 . 1 . 1 29 29 LEU N N 15 121.18 0.030 . 1 . . . . A 34 LEU N . 36671 1 26 . 1 . 1 30 30 LEU H H 1 8.54 0.010 . 1 . . . . A 35 LEU H . 36671 1 27 . 1 . 1 30 30 LEU C C 13 177.48 0.050 . 1 . . . . A 35 LEU C . 36671 1 28 . 1 . 1 30 30 LEU CA C 13 56.96 0.050 . 1 . . . . A 35 LEU CA . 36671 1 29 . 1 . 1 30 30 LEU CB C 13 39.01 0.050 . 1 . . . . A 35 LEU CB . 36671 1 30 . 1 . 1 30 30 LEU N N 15 120.56 0.030 . 1 . . . . A 35 LEU N . 36671 1 31 . 1 . 1 31 31 SER H H 1 7.80 0.010 . 1 . . . . A 36 SER H . 36671 1 32 . 1 . 1 31 31 SER C C 13 176.66 0.050 . 1 . . . . A 36 SER C . 36671 1 33 . 1 . 1 31 31 SER CA C 13 60.79 0.050 . 1 . . . . A 36 SER CA . 36671 1 34 . 1 . 1 31 31 SER CB C 13 61.65 0.050 . 1 . . . . A 36 SER CB . 36671 1 35 . 1 . 1 31 31 SER N N 15 115.05 0.030 . 1 . . . . A 36 SER N . 36671 1 36 . 1 . 1 32 32 GLU H H 1 7.76 0.010 . 1 . . . . A 37 GLU H . 36671 1 37 . 1 . 1 32 32 GLU C C 13 179.01 0.050 . 1 . . . . A 37 GLU C . 36671 1 38 . 1 . 1 32 32 GLU CA C 13 58.31 0.050 . 1 . . . . A 37 GLU CA . 36671 1 39 . 1 . 1 32 32 GLU CB C 13 27.57 0.050 . 1 . . . . A 37 GLU CB . 36671 1 40 . 1 . 1 32 32 GLU N N 15 122.33 0.030 . 1 . . . . A 37 GLU N . 36671 1 41 . 1 . 1 33 33 ILE H H 1 7.78 0.010 . 1 . . . . A 38 ILE H . 36671 1 42 . 1 . 1 33 33 ILE C C 13 176.97 0.050 . 1 . . . . A 38 ILE C . 36671 1 43 . 1 . 1 33 33 ILE CA C 13 63.38 0.050 . 1 . . . . A 38 ILE CA . 36671 1 44 . 1 . 1 33 33 ILE CB C 13 35.77 0.050 . 1 . . . . A 38 ILE CB . 36671 1 45 . 1 . 1 33 33 ILE N N 15 122.97 0.030 . 1 . . . . A 38 ILE N . 36671 1 46 . 1 . 1 34 34 ALA H H 1 8.27 0.010 . 1 . . . . A 39 ALA H . 36671 1 47 . 1 . 1 34 34 ALA C C 13 179.41 0.050 . 1 . . . . A 39 ALA C . 36671 1 48 . 1 . 1 34 34 ALA CA C 13 53.86 0.050 . 1 . . . . A 39 ALA CA . 36671 1 49 . 1 . 1 34 34 ALA CB C 13 17.00 0.050 . 1 . . . . A 39 ALA CB . 36671 1 50 . 1 . 1 34 34 ALA N N 15 123.93 0.030 . 1 . . . . A 39 ALA N . 36671 1 51 . 1 . 1 35 35 LYS H H 1 7.35 0.010 . 1 . . . . A 40 LYS H . 36671 1 52 . 1 . 1 35 35 LYS C C 13 178.90 0.050 . 1 . . . . A 40 LYS C . 36671 1 53 . 1 . 1 35 35 LYS CA C 13 57.90 0.050 . 1 . . . . A 40 LYS CA . 36671 1 54 . 1 . 1 35 35 LYS CB C 13 30.38 0.050 . 1 . . . . A 40 LYS CB . 36671 1 55 . 1 . 1 35 35 LYS N N 15 117.08 0.030 . 1 . . . . A 40 LYS N . 36671 1 56 . 1 . 1 36 36 GLU H H 1 7.56 0.010 . 1 . . . . A 41 GLU H . 36671 1 57 . 1 . 1 36 36 GLU C C 13 178.07 0.050 . 1 . . . . A 41 GLU C . 36671 1 58 . 1 . 1 36 36 GLU CA C 13 58.17 0.050 . 1 . . . . A 41 GLU CA . 36671 1 59 . 1 . 1 36 36 GLU CB C 13 28.24 0.050 . 1 . . . . A 41 GLU CB . 36671 1 60 . 1 . 1 36 36 GLU N N 15 119.76 0.030 . 1 . . . . A 41 GLU N . 36671 1 61 . 1 . 1 37 37 GLN H H 1 8.32 0.010 . 1 . . . . A 42 GLN H . 36671 1 62 . 1 . 1 37 37 GLN C C 13 176.42 0.050 . 1 . . . . A 42 GLN C . 36671 1 63 . 1 . 1 37 37 GLN CA C 13 55.62 0.050 . 1 . . . . A 42 GLN CA . 36671 1 64 . 1 . 1 37 37 GLN CB C 13 27.58 0.050 . 1 . . . . A 42 GLN CB . 36671 1 65 . 1 . 1 37 37 GLN N N 15 115.48 0.030 . 1 . . . . A 42 GLN N . 36671 1 66 . 1 . 1 38 38 GLY H H 1 7.78 0.010 . 1 . . . . A 43 GLY H . 36671 1 67 . 1 . 1 38 38 GLY C C 13 173.68 0.050 . 1 . . . . A 43 GLY C . 36671 1 68 . 1 . 1 38 38 GLY CA C 13 45.58 0.050 . 1 . . . . A 43 GLY CA . 36671 1 69 . 1 . 1 38 38 GLY N N 15 109.50 0.030 . 1 . . . . A 43 GLY N . 36671 1 70 . 1 . 1 39 39 PHE H H 1 7.84 0.010 . 1 . . . . A 44 PHE H . 36671 1 71 . 1 . 1 39 39 PHE C C 13 171.80 0.050 . 1 . . . . A 44 PHE C . 36671 1 72 . 1 . 1 39 39 PHE CA C 13 54.17 0.050 . 1 . . . . A 44 PHE CA . 36671 1 73 . 1 . 1 39 39 PHE CB C 13 39.74 0.050 . 1 . . . . A 44 PHE CB . 36671 1 74 . 1 . 1 39 39 PHE N N 15 116.78 0.030 . 1 . . . . A 44 PHE N . 36671 1 75 . 1 . 1 40 40 ASN H H 1 9.02 0.010 . 1 . . . . A 45 ASN H . 36671 1 76 . 1 . 1 40 40 ASN C C 13 173.56 0.050 . 1 . . . . A 45 ASN C . 36671 1 77 . 1 . 1 40 40 ASN CA C 13 51.17 0.050 . 1 . . . . A 45 ASN CA . 36671 1 78 . 1 . 1 40 40 ASN CB C 13 40.18 0.050 . 1 . . . . A 45 ASN CB . 36671 1 79 . 1 . 1 40 40 ASN N N 15 117.83 0.030 . 1 . . . . A 45 ASN N . 36671 1 80 . 1 . 1 41 41 ILE H H 1 8.38 0.010 . 1 . . . . A 46 ILE H . 36671 1 81 . 1 . 1 41 41 ILE C C 13 175.44 0.050 . 1 . . . . A 46 ILE C . 36671 1 82 . 1 . 1 41 41 ILE CA C 13 58.57 0.050 . 1 . . . . A 46 ILE CA . 36671 1 83 . 1 . 1 41 41 ILE CB C 13 39.44 0.050 . 1 . . . . A 46 ILE CB . 36671 1 84 . 1 . 1 41 41 ILE N N 15 121.36 0.030 . 1 . . . . A 46 ILE N . 36671 1 85 . 1 . 1 42 42 THR H H 1 8.63 0.010 . 1 . . . . A 47 THR H . 36671 1 86 . 1 . 1 42 42 THR C C 13 172.03 0.050 . 1 . . . . A 47 THR C . 36671 1 87 . 1 . 1 42 42 THR CA C 13 60.38 0.050 . 1 . . . . A 47 THR CA . 36671 1 88 . 1 . 1 42 42 THR CB C 13 69.20 0.050 . 1 . . . . A 47 THR CB . 36671 1 89 . 1 . 1 42 42 THR N N 15 124.04 0.030 . 1 . . . . A 47 THR N . 36671 1 90 . 1 . 1 43 43 TYR H H 1 8.85 0.010 . 1 . . . . A 48 TYR H . 36671 1 91 . 1 . 1 43 43 TYR C C 13 174.82 0.050 . 1 . . . . A 48 TYR C . 36671 1 92 . 1 . 1 43 43 TYR CA C 13 57.48 0.050 . 1 . . . . A 48 TYR CA . 36671 1 93 . 1 . 1 43 43 TYR CB C 13 37.93 0.050 . 1 . . . . A 48 TYR CB . 36671 1 94 . 1 . 1 43 43 TYR N N 15 125.27 0.030 . 1 . . . . A 48 TYR N . 36671 1 95 . 1 . 1 44 44 LEU H H 1 9.36 0.010 . 1 . . . . A 49 LEU H . 36671 1 96 . 1 . 1 44 44 LEU C C 13 174.31 0.050 . 1 . . . . A 49 LEU C . 36671 1 97 . 1 . 1 44 44 LEU CA C 13 52.72 0.050 . 1 . . . . A 49 LEU CA . 36671 1 98 . 1 . 1 44 44 LEU CB C 13 41.16 0.050 . 1 . . . . A 49 LEU CB . 36671 1 99 . 1 . 1 44 44 LEU N N 15 127.62 0.030 . 1 . . . . A 49 LEU N . 36671 1 100 . 1 . 1 45 45 ASP H H 1 8.47 0.010 . 1 . . . . A 50 ASP H . 36671 1 101 . 1 . 1 45 45 ASP C C 13 175.44 0.050 . 1 . . . . A 50 ASP C . 36671 1 102 . 1 . 1 45 45 ASP CA C 13 54.17 0.050 . 1 . . . . A 50 ASP CA . 36671 1 103 . 1 . 1 45 45 ASP CB C 13 39.65 0.050 . 1 . . . . A 50 ASP CB . 36671 1 104 . 1 . 1 45 45 ASP N N 15 125.99 0.030 . 1 . . . . A 50 ASP N . 36671 1 105 . 1 . 1 46 46 ILE H H 1 7.82 0.010 . 1 . . . . A 51 ILE H . 36671 1 106 . 1 . 1 46 46 ILE C C 13 175.98 0.050 . 1 . . . . A 51 ILE C . 36671 1 107 . 1 . 1 46 46 ILE CA C 13 58.93 0.050 . 1 . . . . A 51 ILE CA . 36671 1 108 . 1 . 1 46 46 ILE CB C 13 36.20 0.050 . 1 . . . . A 51 ILE CB . 36671 1 109 . 1 . 1 46 46 ILE N N 15 125.54 0.030 . 1 . . . . A 51 ILE N . 36671 1 110 . 1 . 1 47 47 ASP H H 1 8.69 0.010 . 1 . . . . A 52 ASP H . 36671 1 111 . 1 . 1 47 47 ASP C C 13 176.19 0.050 . 1 . . . . A 52 ASP C . 36671 1 112 . 1 . 1 47 47 ASP CA C 13 55.61 0.050 . 1 . . . . A 52 ASP CA . 36671 1 113 . 1 . 1 47 47 ASP CB C 13 39.74 0.050 . 1 . . . . A 52 ASP CB . 36671 1 114 . 1 . 1 47 47 ASP N N 15 127.89 0.030 . 1 . . . . A 52 ASP N . 36671 1 115 . 1 . 1 48 48 GLU H H 1 7.98 0.010 . 1 . . . . A 53 GLU H . 36671 1 116 . 1 . 1 48 48 GLU C C 13 176.85 0.050 . 1 . . . . A 53 GLU C . 36671 1 117 . 1 . 1 48 48 GLU CA C 13 56.14 0.050 . 1 . . . . A 53 GLU CA . 36671 1 118 . 1 . 1 48 48 GLU CB C 13 28.43 0.050 . 1 . . . . A 53 GLU CB . 36671 1 119 . 1 . 1 48 48 GLU N N 15 120.29 0.030 . 1 . . . . A 53 GLU N . 36671 1 120 . 1 . 1 49 49 LEU H H 1 8.43 0.010 . 1 . . . . A 54 LEU H . 36671 1 121 . 1 . 1 49 49 LEU C C 13 177.72 0.050 . 1 . . . . A 54 LEU C . 36671 1 122 . 1 . 1 49 49 LEU CA C 13 53.65 0.050 . 1 . . . . A 54 LEU CA . 36671 1 123 . 1 . 1 49 49 LEU CB C 13 40.73 0.050 . 1 . . . . A 54 LEU CB . 36671 1 124 . 1 . 1 49 49 LEU N N 15 126.22 0.030 . 1 . . . . A 54 LEU N . 36671 1 125 . 1 . 1 50 50 SER H H 1 9.13 0.010 . 1 . . . . A 55 SER H . 36671 1 126 . 1 . 1 50 50 SER C C 13 175.37 0.050 . 1 . . . . A 55 SER C . 36671 1 127 . 1 . 1 50 50 SER CA C 13 57.07 0.050 . 1 . . . . A 55 SER CA . 36671 1 128 . 1 . 1 50 50 SER CB C 13 63.16 0.050 . 1 . . . . A 55 SER CB . 36671 1 129 . 1 . 1 50 50 SER N N 15 116.65 0.030 . 1 . . . . A 55 SER N . 36671 1 130 . 1 . 1 51 51 ALA H H 1 8.77 0.010 . 1 . . . . A 56 ALA H . 36671 1 131 . 1 . 1 51 51 ALA C C 13 177.72 0.050 . 1 . . . . A 56 ALA C . 36671 1 132 . 1 . 1 51 51 ALA CA C 13 53.75 0.050 . 1 . . . . A 56 ALA CA . 36671 1 133 . 1 . 1 51 51 ALA CB C 13 16.79 0.050 . 1 . . . . A 56 ALA CB . 36671 1 134 . 1 . 1 51 51 ALA N N 15 125.00 0.030 . 1 . . . . A 56 ALA N . 36671 1 135 . 1 . 1 53 53 GLY C C 13 173.29 0.050 . 1 . . . . A 58 GLY C . 36671 1 136 . 1 . 1 53 53 GLY CA C 13 44.70 0.050 . 1 . . . . A 58 GLY CA . 36671 1 137 . 1 . 1 54 54 GLN H H 1 7.65 0.010 . 1 . . . . A 59 GLN H . 36671 1 138 . 1 . 1 54 54 GLN C C 13 175.41 0.050 . 1 . . . . A 59 GLN C . 36671 1 139 . 1 . 1 54 54 GLN CA C 13 54.48 0.050 . 1 . . . . A 59 GLN CA . 36671 1 140 . 1 . 1 54 54 GLN CB C 13 28.22 0.050 . 1 . . . . A 59 GLN CB . 36671 1 141 . 1 . 1 54 54 GLN N N 15 117.72 0.030 . 1 . . . . A 59 GLN N . 36671 1 142 . 1 . 1 55 55 TYR H H 1 8.45 0.010 . 1 . . . . A 60 TYR H . 36671 1 143 . 1 . 1 55 55 TYR C C 13 175.56 0.050 . 1 . . . . A 60 TYR C . 36671 1 144 . 1 . 1 55 55 TYR CA C 13 58.00 0.050 . 1 . . . . A 60 TYR CA . 36671 1 145 . 1 . 1 55 55 TYR CB C 13 37.28 0.050 . 1 . . . . A 60 TYR CB . 36671 1 146 . 1 . 1 55 55 TYR N N 15 121.69 0.030 . 1 . . . . A 60 TYR N . 36671 1 147 . 1 . 1 56 56 GLN H H 1 9.45 0.010 . 1 . . . . A 61 GLN H . 36671 1 148 . 1 . 1 56 56 GLN C C 13 173.84 0.050 . 1 . . . . A 61 GLN C . 36671 1 149 . 1 . 1 56 56 GLN CA C 13 53.34 0.050 . 1 . . . . A 61 GLN CA . 36671 1 150 . 1 . 1 56 56 GLN CB C 13 32.32 0.050 . 1 . . . . A 61 GLN CB . 36671 1 151 . 1 . 1 56 56 GLN N N 15 117.83 0.030 . 1 . . . . A 61 GLN N . 36671 1 152 . 1 . 1 57 57 CYS H H 1 8.70 0.010 . 1 . . . . A 62 CYS H . 36671 1 153 . 1 . 1 57 57 CYS C C 13 171.29 0.050 . 1 . . . . A 62 CYS C . 36671 1 154 . 1 . 1 57 57 CYS CA C 13 56.03 0.050 . 1 . . . . A 62 CYS CA . 36671 1 155 . 1 . 1 57 57 CYS CB C 13 29.23 0.050 . 1 . . . . A 62 CYS CB . 36671 1 156 . 1 . 1 57 57 CYS N N 15 123.18 0.030 . 1 . . . . A 62 CYS N . 36671 1 157 . 1 . 1 58 58 LEU H H 1 8.81 0.010 . 1 . . . . A 63 LEU H . 36671 1 158 . 1 . 1 58 58 LEU C C 13 174.82 0.050 . 1 . . . . A 63 LEU C . 36671 1 159 . 1 . 1 58 58 LEU CA C 13 51.99 0.050 . 1 . . . . A 63 LEU CA . 36671 1 160 . 1 . 1 58 58 LEU CB C 13 42.03 0.050 . 1 . . . . A 63 LEU CB . 36671 1 161 . 1 . 1 58 58 LEU N N 15 124.93 0.030 . 1 . . . . A 63 LEU N . 36671 1 162 . 1 . 1 59 59 ALA H H 1 9.06 0.010 . 1 . . . . A 64 ALA H . 36671 1 163 . 1 . 1 59 59 ALA C C 13 174.43 0.050 . 1 . . . . A 64 ALA C . 36671 1 164 . 1 . 1 59 59 ALA CA C 13 49.30 0.050 . 1 . . . . A 64 ALA CA . 36671 1 165 . 1 . 1 59 59 ALA CB C 13 17.22 0.050 . 1 . . . . A 64 ALA CB . 36671 1 166 . 1 . 1 59 59 ALA N N 15 126.44 0.030 . 1 . . . . A 64 ALA N . 36671 1 167 . 1 . 1 60 60 GLU H H 1 9.11 0.010 . 1 . . . . A 65 GLU H . 36671 1 168 . 1 . 1 60 60 GLU C C 13 174.50 0.050 . 1 . . . . A 65 GLU C . 36671 1 169 . 1 . 1 60 60 GLU CA C 13 54.48 0.050 . 1 . . . . A 65 GLU CA . 36671 1 170 . 1 . 1 60 60 GLU CB C 13 29.51 0.050 . 1 . . . . A 65 GLU CB . 36671 1 171 . 1 . 1 60 60 GLU N N 15 125.97 0.030 . 1 . . . . A 65 GLU N . 36671 1 172 . 1 . 1 61 61 LEU H H 1 9.53 0.010 . 1 . . . . A 66 LEU H . 36671 1 173 . 1 . 1 61 61 LEU C C 13 177.68 0.050 . 1 . . . . A 66 LEU C . 36671 1 174 . 1 . 1 61 61 LEU CA C 13 52.10 0.050 . 1 . . . . A 66 LEU CA . 36671 1 175 . 1 . 1 61 61 LEU CB C 13 41.16 0.050 . 1 . . . . A 66 LEU CB . 36671 1 176 . 1 . 1 61 61 LEU N N 15 129.18 0.030 . 1 . . . . A 66 LEU N . 36671 1 177 . 1 . 1 62 62 SER H H 1 8.84 0.010 . 1 . . . . A 67 SER H . 36671 1 178 . 1 . 1 62 62 SER C C 13 176.64 0.050 . 1 . . . . A 67 SER C . 36671 1 179 . 1 . 1 62 62 SER CA C 13 57.17 0.050 . 1 . . . . A 67 SER CA . 36671 1 180 . 1 . 1 62 62 SER CB C 13 61.21 0.050 . 1 . . . . A 67 SER CB . 36671 1 181 . 1 . 1 62 62 SER N N 15 121.58 0.030 . 1 . . . . A 67 SER N . 36671 1 182 . 1 . 1 63 63 THR H H 1 7.45 0.010 . 1 . . . . A 68 THR H . 36671 1 183 . 1 . 1 63 63 THR C C 13 172.42 0.050 . 1 . . . . A 68 THR C . 36671 1 184 . 1 . 1 63 63 THR CA C 13 60.79 0.050 . 1 . . . . A 68 THR CA . 36671 1 185 . 1 . 1 63 63 THR CB C 13 68.87 0.050 . 1 . . . . A 68 THR CB . 36671 1 186 . 1 . 1 63 63 THR N N 15 111.52 0.030 . 1 . . . . A 68 THR N . 36671 1 187 . 1 . 1 64 64 SER H H 1 8.29 0.010 . 1 . . . . A 69 SER H . 36671 1 188 . 1 . 1 64 64 SER C C 13 172.78 0.050 . 1 . . . . A 69 SER C . 36671 1 189 . 1 . 1 64 64 SER CA C 13 53.24 0.050 . 1 . . . . A 69 SER CA . 36671 1 190 . 1 . 1 64 64 SER CB C 13 62.30 0.050 . 1 . . . . A 69 SER CB . 36671 1 191 . 1 . 1 64 64 SER N N 15 113.98 0.030 . 1 . . . . A 69 SER N . 36671 1 192 . 1 . 1 65 65 PRO C C 13 176.23 0.050 . 1 . . . . A 70 PRO C . 36671 1 193 . 1 . 1 65 65 PRO CA C 13 62.35 0.050 . 1 . . . . A 70 PRO CA . 36671 1 194 . 1 . 1 65 65 PRO CB C 13 32.97 0.050 . 1 . . . . A 70 PRO CB . 36671 1 195 . 1 . 1 66 66 ILE H H 1 8.36 0.010 . 1 . . . . A 71 ILE H . 36671 1 196 . 1 . 1 66 66 ILE C C 13 174.70 0.050 . 1 . . . . A 71 ILE C . 36671 1 197 . 1 . 1 66 66 ILE CA C 13 62.55 0.050 . 1 . . . . A 71 ILE CA . 36671 1 198 . 1 . 1 66 66 ILE CB C 13 36.42 0.050 . 1 . . . . A 71 ILE CB . 36671 1 199 . 1 . 1 66 66 ILE N N 15 125.22 0.030 . 1 . . . . A 71 ILE N . 36671 1 200 . 1 . 1 67 67 THR H H 1 7.67 0.010 . 1 . . . . A 72 THR H . 36671 1 201 . 1 . 1 67 67 THR C C 13 171.72 0.050 . 1 . . . . A 72 THR C . 36671 1 202 . 1 . 1 67 67 THR CA C 13 61.10 0.050 . 1 . . . . A 72 THR CA . 36671 1 203 . 1 . 1 67 67 THR CB C 13 70.11 0.050 . 1 . . . . A 72 THR CB . 36671 1 204 . 1 . 1 67 67 THR N N 15 122.11 0.030 . 1 . . . . A 72 THR N . 36671 1 205 . 1 . 1 68 68 VAL H H 1 9.30 0.010 . 1 . . . . A 73 VAL H . 36671 1 206 . 1 . 1 68 68 VAL C C 13 173.76 0.050 . 1 . . . . A 73 VAL C . 36671 1 207 . 1 . 1 68 68 VAL CA C 13 58.93 0.050 . 1 . . . . A 73 VAL CA . 36671 1 208 . 1 . 1 68 68 VAL CB C 13 31.89 0.050 . 1 . . . . A 73 VAL CB . 36671 1 209 . 1 . 1 68 68 VAL N N 15 124.15 0.030 . 1 . . . . A 73 VAL N . 36671 1 210 . 1 . 1 69 69 CYS H H 1 8.91 0.010 . 1 . . . . A 74 CYS H . 36671 1 211 . 1 . 1 69 69 CYS C C 13 173.13 0.050 . 1 . . . . A 74 CYS C . 36671 1 212 . 1 . 1 69 69 CYS CA C 13 56.17 0.050 . 1 . . . . A 74 CYS CA . 36671 1 213 . 1 . 1 69 69 CYS CB C 13 28.22 0.050 . 1 . . . . A 74 CYS CB . 36671 1 214 . 1 . 1 69 69 CYS N N 15 122.68 0.030 . 1 . . . . A 74 CYS N . 36671 1 215 . 1 . 1 70 70 HIS H H 1 8.40 0.010 . 1 . . . . A 75 HIS H . 36671 1 216 . 1 . 1 70 70 HIS C C 13 174.31 0.050 . 1 . . . . A 75 HIS C . 36671 1 217 . 1 . 1 70 70 HIS CA C 13 56.24 0.050 . 1 . . . . A 75 HIS CA . 36671 1 218 . 1 . 1 70 70 HIS CB C 13 32.53 0.050 . 1 . . . . A 75 HIS CB . 36671 1 219 . 1 . 1 70 70 HIS N N 15 126.61 0.030 . 1 . . . . A 75 HIS N . 36671 1 220 . 1 . 1 71 71 GLY H H 1 8.52 0.010 . 1 . . . . A 76 GLY H . 36671 1 221 . 1 . 1 71 71 GLY C C 13 170.50 0.050 . 1 . . . . A 76 GLY C . 36671 1 222 . 1 . 1 71 71 GLY CA C 13 43.15 0.050 . 1 . . . . A 76 GLY CA . 36671 1 223 . 1 . 1 71 71 GLY N N 15 115.58 0.030 . 1 . . . . A 76 GLY N . 36671 1 224 . 1 . 1 72 72 SER H H 1 9.45 0.010 . 1 . . . . A 77 SER H . 36671 1 225 . 1 . 1 72 72 SER C C 13 173.44 0.050 . 1 . . . . A 77 SER C . 36671 1 226 . 1 . 1 72 72 SER CA C 13 56.03 0.050 . 1 . . . . A 77 SER CA . 36671 1 227 . 1 . 1 72 72 SER CB C 13 65.54 0.050 . 1 . . . . A 77 SER CB . 36671 1 228 . 1 . 1 72 72 SER N N 15 113.70 0.030 . 1 . . . . A 77 SER N . 36671 1 229 . 1 . 1 73 73 GLY H H 1 8.64 0.010 . 1 . . . . A 78 GLY H . 36671 1 230 . 1 . 1 73 73 GLY C C 13 172.27 0.050 . 1 . . . . A 78 GLY C . 36671 1 231 . 1 . 1 73 73 GLY CA C 13 44.92 0.050 . 1 . . . . A 78 GLY CA . 36671 1 232 . 1 . 1 73 73 GLY N N 15 105.84 0.030 . 1 . . . . A 78 GLY N . 36671 1 233 . 1 . 1 74 74 ILE H H 1 8.62 0.010 . 1 . . . . A 79 ILE H . 36671 1 234 . 1 . 1 74 74 ILE C C 13 174.09 0.050 . 1 . . . . A 79 ILE C . 36671 1 235 . 1 . 1 74 74 ILE CA C 13 61.90 0.050 . 1 . . . . A 79 ILE CA . 36671 1 236 . 1 . 1 74 74 ILE CB C 13 36.77 0.050 . 1 . . . . A 79 ILE CB . 36671 1 237 . 1 . 1 74 74 ILE N N 15 114.41 0.030 . 1 . . . . A 79 ILE N . 36671 1 238 . 1 . 1 75 75 SER H H 1 7.56 0.010 . 1 . . . . A 80 SER H . 36671 1 239 . 1 . 1 75 75 SER C C 13 173.60 0.050 . 1 . . . . A 80 SER C . 36671 1 240 . 1 . 1 75 75 SER CA C 13 54.89 0.050 . 1 . . . . A 80 SER CA . 36671 1 241 . 1 . 1 75 75 SER CB C 13 65.11 0.050 . 1 . . . . A 80 SER CB . 36671 1 242 . 1 . 1 75 75 SER N N 15 113.34 0.030 . 1 . . . . A 80 SER N . 36671 1 243 . 1 . 1 78 78 ASN H H 1 7.84 0.010 . 1 . . . . A 83 ASN H . 36671 1 244 . 1 . 1 78 78 ASN C C 13 177.13 0.050 . 1 . . . . A 83 ASN C . 36671 1 245 . 1 . 1 78 78 ASN CA C 13 55.13 0.050 . 1 . . . . A 83 ASN CA . 36671 1 246 . 1 . 1 78 78 ASN CB C 13 36.85 0.050 . 1 . . . . A 83 ASN CB . 36671 1 247 . 1 . 1 78 78 ASN N N 15 121.79 0.030 . 1 . . . . A 83 ASN N . 36671 1 248 . 1 . 1 79 79 ALA H H 1 8.07 0.010 . 1 . . . . A 84 ALA H . 36671 1 249 . 1 . 1 79 79 ALA C C 13 177.99 0.050 . 1 . . . . A 84 ALA C . 36671 1 250 . 1 . 1 79 79 ALA CA C 13 54.38 0.050 . 1 . . . . A 84 ALA CA . 36671 1 251 . 1 . 1 79 79 ALA CB C 13 15.92 0.050 . 1 . . . . A 84 ALA CB . 36671 1 252 . 1 . 1 79 79 ALA N N 15 124.15 0.030 . 1 . . . . A 84 ALA N . 36671 1 253 . 1 . 1 80 80 GLN H H 1 7.51 0.010 . 1 . . . . A 85 GLN H . 36671 1 254 . 1 . 1 80 80 GLN C C 13 177.29 0.050 . 1 . . . . A 85 GLN C . 36671 1 255 . 1 . 1 80 80 GLN CA C 13 58.21 0.050 . 1 . . . . A 85 GLN CA . 36671 1 256 . 1 . 1 80 80 GLN CB C 13 25.65 0.050 . 1 . . . . A 85 GLN CB . 36671 1 257 . 1 . 1 80 80 GLN N N 15 118.80 0.030 . 1 . . . . A 85 GLN N . 36671 1 258 . 1 . 1 81 81 SER H H 1 7.78 0.010 . 1 . . . . A 86 SER H . 36671 1 259 . 1 . 1 81 81 SER C C 13 175.52 0.050 . 1 . . . . A 86 SER C . 36671 1 260 . 1 . 1 81 81 SER CA C 13 61.00 0.050 . 1 . . . . A 86 SER CA . 36671 1 261 . 1 . 1 81 81 SER CB C 13 61.87 0.050 . 1 . . . . A 86 SER CB . 36671 1 262 . 1 . 1 81 81 SER N N 15 113.44 0.030 . 1 . . . . A 86 SER N . 36671 1 263 . 1 . 1 82 82 ASP H H 1 8.12 0.010 . 1 . . . . A 87 ASP H . 36671 1 264 . 1 . 1 82 82 ASP C C 13 177.07 0.050 . 1 . . . . A 87 ASP C . 36671 1 265 . 1 . 1 82 82 ASP CA C 13 57.07 0.050 . 1 . . . . A 87 ASP CA . 36671 1 266 . 1 . 1 82 82 ASP CB C 13 42.03 0.050 . 1 . . . . A 87 ASP CB . 36671 1 267 . 1 . 1 82 82 ASP N N 15 121.58 0.030 . 1 . . . . A 87 ASP N . 36671 1 268 . 1 . 1 83 83 ALA H H 1 8.17 0.010 . 1 . . . . A 88 ALA H . 36671 1 269 . 1 . 1 83 83 ALA C C 13 178.82 0.050 . 1 . . . . A 88 ALA C . 36671 1 270 . 1 . 1 83 83 ALA CA C 13 54.74 0.050 . 1 . . . . A 88 ALA CA . 36671 1 271 . 1 . 1 83 83 ALA CB C 13 16.01 0.050 . 1 . . . . A 88 ALA CB . 36671 1 272 . 1 . 1 83 83 ALA N N 15 121.90 0.030 . 1 . . . . A 88 ALA N . 36671 1 273 . 1 . 1 84 84 ALA H H 1 8.17 0.010 . 1 . . . . A 89 ALA H . 36671 1 274 . 1 . 1 84 84 ALA C C 13 178.85 0.050 . 1 . . . . A 89 ALA C . 36671 1 275 . 1 . 1 84 84 ALA CA C 13 54.10 0.050 . 1 . . . . A 89 ALA CA . 36671 1 276 . 1 . 1 84 84 ALA CB C 13 16.51 0.050 . 1 . . . . A 89 ALA CB . 36671 1 277 . 1 . 1 84 84 ALA N N 15 119.44 0.030 . 1 . . . . A 89 ALA N . 36671 1 278 . 1 . 1 85 85 HIS H H 1 8.50 0.010 . 1 . . . . A 90 HIS H . 36671 1 279 . 1 . 1 85 85 HIS C C 13 176.51 0.050 . 1 . . . . A 90 HIS C . 36671 1 280 . 1 . 1 85 85 HIS CA C 13 57.51 0.050 . 1 . . . . A 90 HIS CA . 36671 1 281 . 1 . 1 85 85 HIS CB C 13 26.97 0.050 . 1 . . . . A 90 HIS CB . 36671 1 282 . 1 . 1 85 85 HIS N N 15 118.58 0.030 . 1 . . . . A 90 HIS N . 36671 1 283 . 1 . 1 86 86 ASN H H 1 8.36 0.010 . 1 . . . . A 91 ASN H . 36671 1 284 . 1 . 1 86 86 ASN C C 13 176.34 0.050 . 1 . . . . A 91 ASN C . 36671 1 285 . 1 . 1 86 86 ASN CA C 13 55.03 0.050 . 1 . . . . A 91 ASN CA . 36671 1 286 . 1 . 1 86 86 ASN CB C 13 35.50 0.050 . 1 . . . . A 91 ASN CB . 36671 1 287 . 1 . 1 86 86 ASN N N 15 119.65 0.030 . 1 . . . . A 91 ASN N . 36671 1 288 . 1 . 1 87 87 ALA H H 1 8.37 0.010 . 1 . . . . A 92 ALA H . 36671 1 289 . 1 . 1 87 87 ALA C C 13 178.90 0.050 . 1 . . . . A 92 ALA C . 36671 1 290 . 1 . 1 87 87 ALA CA C 13 54.69 0.050 . 1 . . . . A 92 ALA CA . 36671 1 291 . 1 . 1 87 87 ALA CB C 13 17.65 0.050 . 1 . . . . A 92 ALA CB . 36671 1 292 . 1 . 1 87 87 ALA N N 15 123.18 0.030 . 1 . . . . A 92 ALA N . 36671 1 293 . 1 . 1 88 88 LEU H H 1 8.39 0.010 . 1 . . . . A 93 LEU H . 36671 1 294 . 1 . 1 88 88 LEU C C 13 180.07 0.050 . 1 . . . . A 93 LEU C . 36671 1 295 . 1 . 1 88 88 LEU CA C 13 57.49 0.050 . 1 . . . . A 93 LEU CA . 36671 1 296 . 1 . 1 88 88 LEU CB C 13 40.51 0.050 . 1 . . . . A 93 LEU CB . 36671 1 297 . 1 . 1 88 88 LEU N N 15 118.94 0.030 . 1 . . . . A 93 LEU N . 36671 1 298 . 1 . 1 89 89 GLN H H 1 8.01 0.010 . 1 . . . . A 94 GLN H . 36671 1 299 . 1 . 1 89 89 GLN C C 13 178.03 0.050 . 1 . . . . A 94 GLN C . 36671 1 300 . 1 . 1 89 89 GLN CA C 13 57.86 0.050 . 1 . . . . A 94 GLN CA . 36671 1 301 . 1 . 1 89 89 GLN CB C 13 26.71 0.050 . 1 . . . . A 94 GLN CB . 36671 1 302 . 1 . 1 89 89 GLN N N 15 118.26 0.030 . 1 . . . . A 94 GLN N . 36671 1 303 . 1 . 1 90 90 TYR H H 1 8.48 0.010 . 1 . . . . A 95 TYR H . 36671 1 304 . 1 . 1 90 90 TYR C C 13 176.19 0.050 . 1 . . . . A 95 TYR C . 36671 1 305 . 1 . 1 90 90 TYR CA C 13 60.69 0.050 . 1 . . . . A 95 TYR CA . 36671 1 306 . 1 . 1 90 90 TYR CB C 13 36.99 0.050 . 1 . . . . A 95 TYR CB . 36671 1 307 . 1 . 1 90 90 TYR N N 15 121.90 0.030 . 1 . . . . A 95 TYR N . 36671 1 308 . 1 . 1 92 92 LYS C C 13 178.07 0.050 . 1 . . . . A 97 LYS C . 36671 1 309 . 1 . 1 92 92 LYS CA C 13 58.52 0.050 . 1 . . . . A 97 LYS CA . 36671 1 310 . 1 . 1 92 92 LYS CB C 13 30.60 0.050 . 1 . . . . A 97 LYS CB . 36671 1 311 . 1 . 1 93 93 ILE H H 1 7.35 0.010 . 1 . . . . A 98 ILE H . 36671 1 312 . 1 . 1 93 93 ILE C C 13 179.01 0.050 . 1 . . . . A 98 ILE C . 36671 1 313 . 1 . 1 93 93 ILE CA C 13 63.59 0.050 . 1 . . . . A 98 ILE CA . 36671 1 314 . 1 . 1 93 93 ILE CB C 13 36.44 0.050 . 1 . . . . A 98 ILE CB . 36671 1 315 . 1 . 1 93 93 ILE N N 15 120.43 0.030 . 1 . . . . A 98 ILE N . 36671 1 316 . 1 . 1 94 94 ILE H H 1 8.08 0.010 . 1 . . . . A 99 ILE H . 36671 1 317 . 1 . 1 94 94 ILE C C 13 178.15 0.050 . 1 . . . . A 99 ILE C . 36671 1 318 . 1 . 1 94 94 ILE CA C 13 62.87 0.050 . 1 . . . . A 99 ILE CA . 36671 1 319 . 1 . 1 94 94 ILE CB C 13 35.12 0.050 . 1 . . . . A 99 ILE CB . 36671 1 320 . 1 . 1 94 94 ILE N N 15 116.87 0.030 . 1 . . . . A 99 ILE N . 36671 1 stop_ save_