################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5032 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 'The reported HN and N chemical shifts reflect TROSY type chemical shifts at 800 MHz.' _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 $sample_1 . 5032 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 15 15 ASN CA C 13 57.4 0.10 . 9 . . . . . . . . 5032 1 2 . 1 1 15 15 ASN CB C 13 29.1 0.10 . 9 . . . . . . . . 5032 1 3 . 1 1 16 16 ALA N N 15 123.7 0.10 . 9 . . . . . . . . 5032 1 4 . 1 1 16 16 ALA H H 1 8.06 0.02 . 9 . . . . . . . . 5032 1 5 . 1 1 16 16 ALA CA C 13 51.9 0.10 . 9 . . . . . . . . 5032 1 6 . 1 1 16 16 ALA CB C 13 18.6 0.10 . 9 . . . . . . . . 5032 1 7 . 1 1 18 18 GLY N N 15 111.0 0.10 . 1 . . . . . . . . 5032 1 8 . 1 1 18 18 GLY H H 1 6.88 0.02 . 1 . . . . . . . . 5032 1 9 . 1 1 18 18 GLY CA C 13 44.2 0.10 . 1 . . . . . . . . 5032 1 10 . 1 1 19 19 ASN N N 15 117.8 0.10 . 1 . . . . . . . . 5032 1 11 . 1 1 19 19 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 5032 1 12 . 1 1 19 19 ASN CA C 13 53.3 0.10 . 1 . . . . . . . . 5032 1 13 . 1 1 19 19 ASN CB C 13 38.2 0.10 . 1 . . . . . . . . 5032 1 14 . 1 1 20 20 GLN N N 15 119.5 0.10 . 1 . . . . . . . . 5032 1 15 . 1 1 20 20 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 5032 1 16 . 1 1 20 20 GLN CA C 13 55.8 0.10 . 1 . . . . . . . . 5032 1 17 . 1 1 20 20 GLN CB C 13 30.7 0.10 . 1 . . . . . . . . 5032 1 18 . 1 1 21 21 SER N N 15 119.8 0.10 . 1 . . . . . . . . 5032 1 19 . 1 1 21 21 SER H H 1 8.85 0.02 . 1 . . . . . . . . 5032 1 20 . 1 1 21 21 SER CA C 13 56.5 0.10 . 1 . . . . . . . . 5032 1 21 . 1 1 21 21 SER CB C 13 65.5 0.10 . 1 . . . . . . . . 5032 1 22 . 1 1 22 22 TYR N N 15 118.6 0.10 . 1 . . . . . . . . 5032 1 23 . 1 1 22 22 TYR H H 1 8.73 0.02 . 1 . . . . . . . . 5032 1 24 . 1 1 22 22 TYR CA C 13 64.0 0.10 . 1 . . . . . . . . 5032 1 25 . 1 1 23 23 ALA N N 15 119.2 0.10 . 1 . . . . . . . . 5032 1 26 . 1 1 23 23 ALA H H 1 8.96 0.02 . 1 . . . . . . . . 5032 1 27 . 1 1 23 23 ALA CA C 13 55.6 0.10 . 1 . . . . . . . . 5032 1 28 . 1 1 23 23 ALA CB C 13 17.2 0.10 . 1 . . . . . . . . 5032 1 29 . 1 1 24 24 GLU N N 15 121.6 0.10 . 1 . . . . . . . . 5032 1 30 . 1 1 24 24 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5032 1 31 . 1 1 24 24 GLU CA C 13 59.3 0.10 . 1 . . . . . . . . 5032 1 32 . 1 1 24 24 GLU CB C 13 29.2 0.10 . 1 . . . . . . . . 5032 1 33 . 1 1 25 25 LEU N N 15 122.0 0.10 . 1 . . . . . . . . 5032 1 34 . 1 1 25 25 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 5032 1 35 . 1 1 25 25 LEU CA C 13 58.1 0.10 . 1 . . . . . . . . 5032 1 36 . 1 1 25 25 LEU CB C 13 41.6 0.10 . 1 . . . . . . . . 5032 1 37 . 1 1 26 26 ILE N N 15 118.5 0.10 . 1 . . . . . . . . 5032 1 38 . 1 1 26 26 ILE H H 1 8.56 0.02 . 1 . . . . . . . . 5032 1 39 . 1 1 26 26 ILE CA C 13 65.2 0.10 . 1 . . . . . . . . 5032 1 40 . 1 1 26 26 ILE CB C 13 37.5 0.10 . 1 . . . . . . . . 5032 1 41 . 1 1 27 27 SER N N 15 113.5 0.10 . 1 . . . . . . . . 5032 1 42 . 1 1 27 27 SER H H 1 7.97 0.02 . 1 . . . . . . . . 5032 1 43 . 1 1 27 27 SER CA C 13 62.8 0.10 . 1 . . . . . . . . 5032 1 44 . 1 1 28 28 GLN N N 15 121.2 0.10 . 1 . . . . . . . . 5032 1 45 . 1 1 28 28 GLN H H 1 7.59 0.02 . 1 . . . . . . . . 5032 1 46 . 1 1 28 28 GLN CA C 13 59.9 0.10 . 1 . . . . . . . . 5032 1 47 . 1 1 28 28 GLN CB C 13 28.1 0.10 . 1 . . . . . . . . 5032 1 48 . 1 1 29 29 ALA N N 15 124.4 0.10 . 1 . . . . . . . . 5032 1 49 . 1 1 29 29 ALA H H 1 7.27 0.02 . 1 . . . . . . . . 5032 1 50 . 1 1 29 29 ALA CA C 13 54.3 0.10 . 1 . . . . . . . . 5032 1 51 . 1 1 29 29 ALA CB C 13 16.2 0.10 . 1 . . . . . . . . 5032 1 52 . 1 1 30 30 ILE N N 15 118.6 0.10 . 1 . . . . . . . . 5032 1 53 . 1 1 30 30 ILE H H 1 7.79 0.02 . 1 . . . . . . . . 5032 1 54 . 1 1 30 30 ILE CA C 13 65.8 0.10 . 1 . . . . . . . . 5032 1 55 . 1 1 30 30 ILE CB C 13 37.8 0.10 . 1 . . . . . . . . 5032 1 56 . 1 1 31 31 GLU N N 15 116.3 0.10 . 1 . . . . . . . . 5032 1 57 . 1 1 31 31 GLU H H 1 8.23 0.02 . 1 . . . . . . . . 5032 1 58 . 1 1 31 31 GLU CA C 13 58.4 0.10 . 1 . . . . . . . . 5032 1 59 . 1 1 31 31 GLU CB C 13 29.2 0.10 . 1 . . . . . . . . 5032 1 60 . 1 1 32 32 SER CA C 13 59.2 0.10 . 1 . . . . . . . . 5032 1 61 . 1 1 33 33 ALA N N 15 128.8 0.10 . 1 . . . . . . . . 5032 1 62 . 1 1 33 33 ALA H H 1 7.38 0.02 . 1 . . . . . . . . 5032 1 63 . 1 1 33 33 ALA CA C 13 50.2 0.10 . 1 . . . . . . . . 5032 1 64 . 1 1 33 33 ALA CB C 13 18.2 0.10 . 1 . . . . . . . . 5032 1 65 . 1 1 36 36 LYS N N 15 114.3 0.10 . 1 . . . . . . . . 5032 1 66 . 1 1 36 36 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 5032 1 67 . 1 1 36 36 LYS CA C 13 55.6 0.10 . 1 . . . . . . . . 5032 1 68 . 1 1 36 36 LYS CB C 13 28.5 0.10 . 1 . . . . . . . . 5032 1 69 . 1 1 37 37 ARG N N 15 109.7 0.10 . 1 . . . . . . . . 5032 1 70 . 1 1 37 37 ARG H H 1 6.58 0.02 . 1 . . . . . . . . 5032 1 71 . 1 1 37 37 ARG CA C 13 53.6 0.10 . 1 . . . . . . . . 5032 1 72 . 1 1 37 37 ARG CB C 13 31.9 0.10 . 1 . . . . . . . . 5032 1 73 . 1 1 38 38 LEU N N 15 120.9 0.10 . 1 . . . . . . . . 5032 1 74 . 1 1 38 38 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5032 1 75 . 1 1 38 38 LEU CA C 13 54.0 0.10 . 1 . . . . . . . . 5032 1 76 . 1 1 38 38 LEU CB C 13 48.5 0.10 . 1 . . . . . . . . 5032 1 77 . 1 1 39 39 THR N N 15 112.7 0.10 . 1 . . . . . . . . 5032 1 78 . 1 1 39 39 THR H H 1 8.78 0.02 . 1 . . . . . . . . 5032 1 79 . 1 1 39 39 THR CA C 13 60.6 0.10 . 1 . . . . . . . . 5032 1 80 . 1 1 39 39 THR CB C 13 71.3 0.10 . 1 . . . . . . . . 5032 1 81 . 1 1 40 40 LEU N N 15 123.5 0.10 . 1 . . . . . . . . 5032 1 82 . 1 1 40 40 LEU H H 1 9.78 0.02 . 1 . . . . . . . . 5032 1 83 . 1 1 40 40 LEU CA C 13 58.3 0.10 . 1 . . . . . . . . 5032 1 84 . 1 1 40 40 LEU CB C 13 41.1 0.10 . 1 . . . . . . . . 5032 1 85 . 1 1 41 41 ALA N N 15 117.5 0.10 . 1 . . . . . . . . 5032 1 86 . 1 1 41 41 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5032 1 87 . 1 1 41 41 ALA CA C 13 54.9 0.10 . 1 . . . . . . . . 5032 1 88 . 1 1 41 41 ALA CB C 13 17.6 0.10 . 1 . . . . . . . . 5032 1 89 . 1 1 42 42 GLN N N 15 116.4 0.10 . 1 . . . . . . . . 5032 1 90 . 1 1 42 42 GLN H H 1 7.38 0.02 . 1 . . . . . . . . 5032 1 91 . 1 1 42 42 GLN CA C 13 58.2 0.10 . 1 . . . . . . . . 5032 1 92 . 1 1 42 42 GLN CB C 13 30.1 0.10 . 1 . . . . . . . . 5032 1 93 . 1 1 43 43 ILE N N 15 126.2 0.10 . 1 . . . . . . . . 5032 1 94 . 1 1 43 43 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5032 1 95 . 1 1 43 43 ILE CA C 13 66.5 0.10 . 1 . . . . . . . . 5032 1 96 . 1 1 43 43 ILE CB C 13 36.8 0.10 . 1 . . . . . . . . 5032 1 97 . 1 1 44 44 TYR N N 15 118.1 0.10 . 1 . . . . . . . . 5032 1 98 . 1 1 44 44 TYR H H 1 8.21 0.02 . 1 . . . . . . . . 5032 1 99 . 1 1 44 44 TYR CA C 13 58.0 0.10 . 1 . . . . . . . . 5032 1 100 . 1 1 44 44 TYR CB C 13 36.6 0.10 . 1 . . . . . . . . 5032 1 101 . 1 1 45 45 GLU N N 15 117.2 0.10 . 1 . . . . . . . . 5032 1 102 . 1 1 45 45 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 5032 1 103 . 1 1 45 45 GLU CA C 13 59.2 0.10 . 1 . . . . . . . . 5032 1 104 . 1 1 45 45 GLU CB C 13 29.3 0.10 . 1 . . . . . . . . 5032 1 105 . 1 1 46 46 TRP N N 15 121.2 0.10 . 1 . . . . . . . . 5032 1 106 . 1 1 46 46 TRP H H 1 8.18 0.02 . 1 . . . . . . . . 5032 1 107 . 1 1 46 46 TRP CA C 13 62.5 0.10 . 1 . . . . . . . . 5032 1 108 . 1 1 46 46 TRP CB C 13 29.0 0.10 . 1 . . . . . . . . 5032 1 109 . 1 1 47 47 MET N N 15 119.7 0.10 . 1 . . . . . . . . 5032 1 110 . 1 1 47 47 MET H H 1 8.28 0.02 . 1 . . . . . . . . 5032 1 111 . 1 1 47 47 MET CA C 13 58.3 0.10 . 1 . . . . . . . . 5032 1 112 . 1 1 47 47 MET CB C 13 31.1 0.10 . 1 . . . . . . . . 5032 1 113 . 1 1 48 48 VAL N N 15 116.2 0.10 . 1 . . . . . . . . 5032 1 114 . 1 1 48 48 VAL H H 1 7.43 0.02 . 1 . . . . . . . . 5032 1 115 . 1 1 48 48 VAL CA C 13 64.5 0.10 . 1 . . . . . . . . 5032 1 116 . 1 1 48 48 VAL CB C 13 31.4 0.10 . 1 . . . . . . . . 5032 1 117 . 1 1 49 49 ARG N N 15 117.3 0.10 . 1 . . . . . . . . 5032 1 118 . 1 1 49 49 ARG H H 1 7.80 0.02 . 1 . . . . . . . . 5032 1 119 . 1 1 49 49 ARG CA C 13 57.6 0.10 . 1 . . . . . . . . 5032 1 120 . 1 1 49 49 ARG CB C 13 30.6 0.10 . 1 . . . . . . . . 5032 1 121 . 1 1 50 50 THR N N 15 112.6 0.10 . 1 . . . . . . . . 5032 1 122 . 1 1 50 50 THR H H 1 7.46 0.02 . 1 . . . . . . . . 5032 1 123 . 1 1 50 50 THR CA C 13 64.2 0.10 . 1 . . . . . . . . 5032 1 124 . 1 1 50 50 THR CB C 13 69.2 0.10 . 1 . . . . . . . . 5032 1 125 . 1 1 51 51 VAL N N 15 125.5 0.10 . 1 . . . . . . . . 5032 1 126 . 1 1 51 51 VAL H H 1 7.86 0.02 . 1 . . . . . . . . 5032 1 127 . 1 1 51 51 VAL CA C 13 59.8 0.10 . 1 . . . . . . . . 5032 1 128 . 1 1 51 51 VAL CB C 13 31.7 0.10 . 1 . . . . . . . . 5032 1 129 . 1 1 53 53 TYR CA C 13 60.9 0.10 . 1 . . . . . . . . 5032 1 130 . 1 1 54 54 PHE N N 15 113.1 0.10 . 1 . . . . . . . . 5032 1 131 . 1 1 54 54 PHE H H 1 7.32 0.02 . 1 . . . . . . . . 5032 1 132 . 1 1 54 54 PHE CA C 13 58.7 0.10 . 1 . . . . . . . . 5032 1 133 . 1 1 54 54 PHE CB C 13 37.3 0.10 . 1 . . . . . . . . 5032 1 134 . 1 1 55 55 LYS N N 15 120.8 0.10 . 1 . . . . . . . . 5032 1 135 . 1 1 55 55 LYS H H 1 7.35 0.02 . 1 . . . . . . . . 5032 1 136 . 1 1 55 55 LYS CA C 13 59.1 0.10 . 1 . . . . . . . . 5032 1 137 . 1 1 55 55 LYS CB C 13 31.9 0.10 . 1 . . . . . . . . 5032 1 138 . 1 1 56 56 ASP N N 15 116.5 0.10 . 1 . . . . . . . . 5032 1 139 . 1 1 56 56 ASP H H 1 7.97 0.02 . 1 . . . . . . . . 5032 1 140 . 1 1 56 56 ASP CA C 13 53.9 0.10 . 1 . . . . . . . . 5032 1 141 . 1 1 56 56 ASP CB C 13 40.0 0.10 . 1 . . . . . . . . 5032 1 142 . 1 1 57 57 LYS N N 15 119.3 0.10 . 1 . . . . . . . . 5032 1 143 . 1 1 57 57 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5032 1 144 . 1 1 57 57 LYS CA C 13 55.5 0.10 . 1 . . . . . . . . 5032 1 145 . 1 1 57 57 LYS CB C 13 31.8 0.10 . 1 . . . . . . . . 5032 1 146 . 1 1 58 58 GLY N N 15 108.2 0.10 . 1 . . . . . . . . 5032 1 147 . 1 1 58 58 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5032 1 148 . 1 1 58 58 GLY CA C 13 46.4 0.10 . 1 . . . . . . . . 5032 1 149 . 1 1 59 59 ASP N N 15 120.0 0.10 . 1 . . . . . . . . 5032 1 150 . 1 1 59 59 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5032 1 151 . 1 1 59 59 ASP CA C 13 53.6 0.10 . 1 . . . . . . . . 5032 1 152 . 1 1 59 59 ASP CB C 13 40.3 0.10 . 1 . . . . . . . . 5032 1 153 . 1 1 63 63 SER N N 15 115.5 0.10 . 1 . . . . . . . . 5032 1 154 . 1 1 63 63 SER H H 1 7.95 0.02 . 1 . . . . . . . . 5032 1 155 . 1 1 63 63 SER CA C 13 58.7 0.10 . 1 . . . . . . . . 5032 1 156 . 1 1 63 63 SER CB C 13 64.0 0.10 . 1 . . . . . . . . 5032 1 157 . 1 1 64 64 ALA N N 15 125.2 0.10 . 1 . . . . . . . . 5032 1 158 . 1 1 64 64 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 5032 1 159 . 1 1 64 64 ALA CA C 13 53.5 0.10 . 1 . . . . . . . . 5032 1 160 . 1 1 64 64 ALA CB C 13 18.4 0.10 . 1 . . . . . . . . 5032 1 161 . 1 1 65 65 GLY N N 15 110.2 0.10 . 1 . . . . . . . . 5032 1 162 . 1 1 65 65 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 5032 1 163 . 1 1 65 65 GLY CA C 13 47.7 0.10 . 1 . . . . . . . . 5032 1 164 . 1 1 66 66 TRP N N 15 121.6 0.10 . 1 . . . . . . . . 5032 1 165 . 1 1 66 66 TRP H H 1 8.15 0.02 . 1 . . . . . . . . 5032 1 166 . 1 1 66 66 TRP CA C 13 58.8 0.10 . 1 . . . . . . . . 5032 1 167 . 1 1 66 66 TRP CB C 13 28.3 0.10 . 1 . . . . . . . . 5032 1 168 . 1 1 67 67 LYS N N 15 122.0 0.10 . 1 . . . . . . . . 5032 1 169 . 1 1 67 67 LYS H H 1 6.58 0.02 . 1 . . . . . . . . 5032 1 170 . 1 1 67 67 LYS CA C 13 60.4 0.10 . 1 . . . . . . . . 5032 1 171 . 1 1 68 68 ASN N N 15 119.3 0.10 . 1 . . . . . . . . 5032 1 172 . 1 1 68 68 ASN H H 1 7.33 0.02 . 1 . . . . . . . . 5032 1 173 . 1 1 68 68 ASN CA C 13 55.7 0.10 . 1 . . . . . . . . 5032 1 174 . 1 1 69 69 SER N N 15 116.5 0.10 . 1 . . . . . . . . 5032 1 175 . 1 1 69 69 SER H H 1 8.10 0.02 . 1 . . . . . . . . 5032 1 176 . 1 1 69 69 SER CA C 13 63.3 0.10 . 1 . . . . . . . . 5032 1 177 . 1 1 70 70 ILE N N 15 125.6 0.10 . 1 . . . . . . . . 5032 1 178 . 1 1 70 70 ILE H H 1 7.85 0.02 . 1 . . . . . . . . 5032 1 179 . 1 1 70 70 ILE CA C 13 64.4 0.10 . 1 . . . . . . . . 5032 1 180 . 1 1 70 70 ILE CB C 13 35.8 0.10 . 1 . . . . . . . . 5032 1 181 . 1 1 71 71 ARG N N 15 119.1 0.10 . 1 . . . . . . . . 5032 1 182 . 1 1 71 71 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 5032 1 183 . 1 1 71 71 ARG CA C 13 60.6 0.10 . 1 . . . . . . . . 5032 1 184 . 1 1 71 71 ARG CB C 13 29.2 0.10 . 1 . . . . . . . . 5032 1 185 . 1 1 72 72 HIS N N 15 117.8 0.10 . 1 . . . . . . . . 5032 1 186 . 1 1 72 72 HIS H H 1 8.64 0.02 . 1 . . . . . . . . 5032 1 187 . 1 1 72 72 HIS CA C 13 59.4 0.10 . 1 . . . . . . . . 5032 1 188 . 1 1 72 72 HIS CB C 13 28.8 0.10 . 1 . . . . . . . . 5032 1 189 . 1 1 73 73 ASN N N 15 115.9 0.10 . 1 . . . . . . . . 5032 1 190 . 1 1 73 73 ASN H H 1 7.67 0.02 . 1 . . . . . . . . 5032 1 191 . 1 1 73 73 ASN CA C 13 57.7 0.10 . 1 . . . . . . . . 5032 1 192 . 1 1 73 73 ASN CB C 13 41.4 0.10 . 1 . . . . . . . . 5032 1 193 . 1 1 74 74 LEU N N 15 119.3 0.10 . 1 . . . . . . . . 5032 1 194 . 1 1 74 74 LEU H H 1 7.67 0.02 . 1 . . . . . . . . 5032 1 195 . 1 1 74 74 LEU CA C 13 57.4 0.10 . 1 . . . . . . . . 5032 1 196 . 1 1 74 74 LEU CB C 13 39.1 0.10 . 1 . . . . . . . . 5032 1 197 . 1 1 75 75 SER N N 15 109.5 0.10 . 1 . . . . . . . . 5032 1 198 . 1 1 75 75 SER H H 1 7.00 0.02 . 1 . . . . . . . . 5032 1 199 . 1 1 75 75 SER CA C 13 61.1 0.10 . 1 . . . . . . . . 5032 1 200 . 1 1 80 80 PHE CA C 13 55.6 0.10 . 1 . . . . . . . . 5032 1 201 . 1 1 80 80 PHE CB C 13 40.9 0.10 . 1 . . . . . . . . 5032 1 202 . 1 1 81 81 ILE N N 15 120.2 0.10 . 1 . . . . . . . . 5032 1 203 . 1 1 81 81 ILE H H 1 9.23 0.02 . 1 . . . . . . . . 5032 1 204 . 1 1 81 81 ILE CA C 13 59.1 0.10 . 1 . . . . . . . . 5032 1 205 . 1 1 81 81 ILE CB C 13 41.1 0.10 . 1 . . . . . . . . 5032 1 206 . 1 1 82 82 LYS N N 15 125.1 0.10 . 1 . . . . . . . . 5032 1 207 . 1 1 82 82 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 5032 1 208 . 1 1 82 82 LYS CA C 13 54.2 0.10 . 1 . . . . . . . . 5032 1 209 . 1 1 82 82 LYS CB C 13 32.0 0.10 . 1 . . . . . . . . 5032 1 210 . 1 1 83 83 VAL N N 15 127.3 0.10 . 1 . . . . . . . . 5032 1 211 . 1 1 83 83 VAL H H 1 9.11 0.02 . 1 . . . . . . . . 5032 1 212 . 1 1 83 83 VAL CA C 13 60.7 0.10 . 1 . . . . . . . . 5032 1 213 . 1 1 83 83 VAL CB C 13 34.6 0.10 . 1 . . . . . . . . 5032 1 214 . 1 1 84 84 HIS N N 15 125.3 0.10 . 1 . . . . . . . . 5032 1 215 . 1 1 84 84 HIS H H 1 8.47 0.02 . 1 . . . . . . . . 5032 1 216 . 1 1 84 84 HIS CA C 13 57.1 0.10 . 1 . . . . . . . . 5032 1 217 . 1 1 84 84 HIS CB C 13 28.9 0.10 . 1 . . . . . . . . 5032 1 218 . 1 1 85 85 ASN N N 15 125.9 0.10 . 1 . . . . . . . . 5032 1 219 . 1 1 85 85 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 5032 1 220 . 1 1 85 85 ASN CA C 13 52.2 0.10 . 1 . . . . . . . . 5032 1 221 . 1 1 85 85 ASN CB C 13 38.2 0.10 . 1 . . . . . . . . 5032 1 222 . 1 1 86 86 GLU CA C 13 56.7 0.10 . 1 . . . . . . . . 5032 1 223 . 1 1 87 87 ALA N N 15 124.8 0.10 . 1 . . . . . . . . 5032 1 224 . 1 1 87 87 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5032 1 225 . 1 1 87 87 ALA CA C 13 52.6 0.10 . 1 . . . . . . . . 5032 1 226 . 1 1 87 87 ALA CB C 13 18.5 0.10 . 1 . . . . . . . . 5032 1 227 . 1 1 88 88 THR N N 15 116.3 0.10 . 1 . . . . . . . . 5032 1 228 . 1 1 88 88 THR H H 1 7.82 0.02 . 1 . . . . . . . . 5032 1 229 . 1 1 88 88 THR CA C 13 62.8 0.10 . 1 . . . . . . . . 5032 1 230 . 1 1 89 89 GLY N N 15 114.2 0.10 . 1 . . . . . . . . 5032 1 231 . 1 1 89 89 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 5032 1 232 . 1 1 89 89 GLY CA C 13 45.4 0.10 . 1 . . . . . . . . 5032 1 233 . 1 1 90 90 LYS N N 15 119.3 0.10 . 1 . . . . . . . . 5032 1 234 . 1 1 90 90 LYS H H 1 7.35 0.02 . 1 . . . . . . . . 5032 1 235 . 1 1 90 90 LYS CA C 13 54.1 0.10 . 1 . . . . . . . . 5032 1 236 . 1 1 90 90 LYS CB C 13 32.8 0.10 . 1 . . . . . . . . 5032 1 237 . 1 1 91 91 SER N N 15 117.2 0.10 . 1 . . . . . . . . 5032 1 238 . 1 1 91 91 SER H H 1 7.97 0.02 . 1 . . . . . . . . 5032 1 239 . 1 1 91 91 SER CA C 13 58.4 0.10 . 1 . . . . . . . . 5032 1 240 . 1 1 91 91 SER CB C 13 63.1 0.10 . 1 . . . . . . . . 5032 1 241 . 1 1 92 92 SER N N 15 112.8 0.10 . 1 . . . . . . . . 5032 1 242 . 1 1 92 92 SER H H 1 8.02 0.02 . 1 . . . . . . . . 5032 1 243 . 1 1 92 92 SER CA C 13 60.1 0.10 . 1 . . . . . . . . 5032 1 244 . 1 1 92 92 SER CB C 13 63.4 0.10 . 1 . . . . . . . . 5032 1 245 . 1 1 93 93 TRP N N 15 120.0 0.10 . 1 . . . . . . . . 5032 1 246 . 1 1 93 93 TRP H H 1 8.31 0.02 . 1 . . . . . . . . 5032 1 247 . 1 1 93 93 TRP CA C 13 56.3 0.10 . 1 . . . . . . . . 5032 1 248 . 1 1 93 93 TRP CB C 13 31.5 0.10 . 1 . . . . . . . . 5032 1 249 . 1 1 94 94 TRP N N 15 123.8 0.10 . 1 . . . . . . . . 5032 1 250 . 1 1 94 94 TRP H H 1 9.04 0.02 . 1 . . . . . . . . 5032 1 251 . 1 1 94 94 TRP CA C 13 56.5 0.10 . 1 . . . . . . . . 5032 1 252 . 1 1 94 94 TRP CB C 13 30.0 0.10 . 1 . . . . . . . . 5032 1 253 . 1 1 95 95 MET N N 15 118.5 0.10 . 1 . . . . . . . . 5032 1 254 . 1 1 95 95 MET H H 1 8.98 0.02 . 1 . . . . . . . . 5032 1 255 . 1 1 95 95 MET CA C 13 54.0 0.10 . 1 . . . . . . . . 5032 1 256 . 1 1 95 95 MET CB C 13 37.3 0.10 . 1 . . . . . . . . 5032 1 257 . 1 1 96 96 LEU N N 15 120.9 0.10 . 1 . . . . . . . . 5032 1 258 . 1 1 96 96 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 5032 1 259 . 1 1 96 96 LEU CA C 13 54.2 0.10 . 1 . . . . . . . . 5032 1 260 . 1 1 96 96 LEU CB C 13 41.1 0.10 . 1 . . . . . . . . 5032 1 261 . 1 1 98 98 PRO CA C 13 63.8 0.10 . 1 . . . . . . . . 5032 1 262 . 1 1 98 98 PRO CB C 13 31.6 0.10 . 1 . . . . . . . . 5032 1 263 . 1 1 99 99 GLU N N 15 118.3 0.10 . 1 . . . . . . . . 5032 1 264 . 1 1 99 99 GLU H H 1 7.82 0.02 . 1 . . . . . . . . 5032 1 265 . 1 1 99 99 GLU CA C 13 56.1 0.10 . 1 . . . . . . . . 5032 1 266 . 1 1 99 99 GLU CB C 13 29.3 0.10 . 1 . . . . . . . . 5032 1 267 . 1 1 100 100 GLY N N 15 108.9 0.10 . 1 . . . . . . . . 5032 1 268 . 1 1 100 100 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 5032 1 269 . 1 1 100 100 GLY CA C 13 45.3 0.10 . 1 . . . . . . . . 5032 1 270 . 1 1 101 101 GLY N N 15 108.7 0.10 . 1 . . . . . . . . 5032 1 271 . 1 1 101 101 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 5032 1 272 . 1 1 101 101 GLY CA C 13 45.1 0.10 . 1 . . . . . . . . 5032 1 273 . 1 1 102 102 LYS N N 15 121.0 0.10 . 1 . . . . . . . . 5032 1 274 . 1 1 102 102 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 5032 1 275 . 1 1 102 102 LYS CA C 13 56.2 0.10 . 1 . . . . . . . . 5032 1 276 . 1 1 102 102 LYS CB C 13 32.3 0.10 . 1 . . . . . . . . 5032 1 277 . 1 1 103 103 SER N N 15 117.0 0.10 . 1 . . . . . . . . 5032 1 278 . 1 1 103 103 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5032 1 279 . 1 1 103 103 SER CA C 13 58.3 0.10 . 1 . . . . . . . . 5032 1 280 . 1 1 103 103 SER CB C 13 63.7 0.10 . 1 . . . . . . . . 5032 1 281 . 1 1 104 104 GLY N N 15 111.5 0.10 . 1 . . . . . . . . 5032 1 282 . 1 1 104 104 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5032 1 283 . 1 1 104 104 GLY CA C 13 45.0 0.10 . 1 . . . . . . . . 5032 1 284 . 1 1 105 105 LYS N N 15 121.1 0.10 . 1 . . . . . . . . 5032 1 285 . 1 1 105 105 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 5032 1 286 . 1 1 105 105 LYS CA C 13 55.6 0.10 . 1 . . . . . . . . 5032 1 287 . 1 1 105 105 LYS CB C 13 32.5 0.10 . 1 . . . . . . . . 5032 1 288 . 1 1 106 106 ALA N N 15 127.3 0.10 . 1 . . . . . . . . 5032 1 289 . 1 1 106 106 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5032 1 290 . 1 1 106 106 ALA CA C 13 50.3 0.10 . 1 . . . . . . . . 5032 1 291 . 1 1 106 106 ALA CB C 13 17.7 0.10 . 1 . . . . . . . . 5032 1 292 . 1 1 107 107 PRO CA C 13 63.0 0.10 . 1 . . . . . . . . 5032 1 293 . 1 1 107 107 PRO CB C 13 38.4 0.10 . 1 . . . . . . . . 5032 1 294 . 1 1 108 108 ARG N N 15 126.4 0.10 . 1 . . . . . . . . 5032 1 295 . 1 1 108 108 ARG H H 1 7.81 0.02 . 1 . . . . . . . . 5032 1 296 . 1 1 108 108 ARG CA C 13 57.1 0.10 . 1 . . . . . . . . 5032 1 297 . 1 1 108 108 ARG CB C 13 31.0 0.10 . 1 . . . . . . . . 5032 1 stop_ save_