################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4337 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _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 . _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_one . 4337 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 2 2 ASN H H 1 10.54 0.02 . 1 . . . . . . . . 4337 1 2 . 1 1 2 2 ASN N N 15 121.0 0.2 . 1 . . . . . . . . 4337 1 3 . 1 1 3 3 VAL H H 1 9.13 0.02 . 1 . . . . . . . . 4337 1 4 . 1 1 3 3 VAL N N 15 128.6 0.2 . 1 . . . . . . . . 4337 1 5 . 1 1 4 4 LEU H H 1 6.62 0.02 . 1 . . . . . . . . 4337 1 6 . 1 1 4 4 LEU N N 15 124.5 0.2 . 1 . . . . . . . . 4337 1 7 . 1 1 5 5 ASP H H 1 8.94 0.02 . 1 . . . . . . . . 4337 1 8 . 1 1 5 5 ASP N N 15 124.2 0.2 . 1 . . . . . . . . 4337 1 9 . 1 1 6 6 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4337 1 10 . 1 1 6 6 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 4337 1 11 . 1 1 7 7 LEU H H 1 6.57 0.02 . 1 . . . . . . . . 4337 1 12 . 1 1 7 7 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4337 1 13 . 1 1 8 8 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 4337 1 14 . 1 1 8 8 LYS N N 15 115.4 0.2 . 1 . . . . . . . . 4337 1 15 . 1 1 9 9 TYR H H 1 9.30 0.02 . 1 . . . . . . . . 4337 1 16 . 1 1 9 9 TYR N N 15 116.5 0.2 . 1 . . . . . . . . 4337 1 17 . 1 1 10 10 ALA H H 1 8.94 0.02 . 1 . . . . . . . . 4337 1 18 . 1 1 10 10 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 4337 1 19 . 1 1 12 12 SER H H 1 6.75 0.02 . 1 . . . . . . . . 4337 1 20 . 1 1 12 12 SER N N 15 103.6 0.2 . 1 . . . . . . . . 4337 1 21 . 1 1 13 13 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 4337 1 22 . 1 1 13 13 HIS N N 15 109.1 0.2 . 1 . . . . . . . . 4337 1 23 . 1 1 14 14 GLU H H 1 7.20 0.02 . 1 . . . . . . . . 4337 1 24 . 1 1 14 14 GLU N N 15 116.0 0.2 . 1 . . . . . . . . 4337 1 25 . 1 1 15 15 TRP H H 1 8.43 0.02 . 1 . . . . . . . . 4337 1 26 . 1 1 15 15 TRP N N 15 116.2 0.2 . 1 . . . . . . . . 4337 1 27 . 1 1 16 16 VAL H H 1 8.94 0.02 . 1 . . . . . . . . 4337 1 28 . 1 1 16 16 VAL N N 15 113.8 0.2 . 1 . . . . . . . . 4337 1 29 . 1 1 17 17 LYS H H 1 9.61 0.02 . 1 . . . . . . . . 4337 1 30 . 1 1 17 17 LYS N N 15 129.8 0.2 . 1 . . . . . . . . 4337 1 31 . 1 1 18 18 HIS H H 1 9.48 0.02 . 1 . . . . . . . . 4337 1 32 . 1 1 18 18 HIS N N 15 129.3 0.2 . 1 . . . . . . . . 4337 1 33 . 1 1 19 19 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4337 1 34 . 1 1 19 19 GLU N N 15 128.0 0.2 . 1 . . . . . . . . 4337 1 35 . 1 1 20 20 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 4337 1 36 . 1 1 20 20 GLY N N 15 113.1 0.2 . 1 . . . . . . . . 4337 1 37 . 1 1 21 21 SER H H 1 8.62 0.02 . 1 . . . . . . . . 4337 1 38 . 1 1 21 21 SER N N 15 120.1 0.2 . 1 . . . . . . . . 4337 1 39 . 1 1 22 22 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 4337 1 40 . 1 1 22 22 VAL N N 15 117.7 0.2 . 1 . . . . . . . . 4337 1 41 . 1 1 23 23 ALA H H 1 9.17 0.02 . 1 . . . . . . . . 4337 1 42 . 1 1 23 23 ALA N N 15 127.1 0.2 . 1 . . . . . . . . 4337 1 43 . 1 1 24 24 THR H H 1 8.78 0.02 . 1 . . . . . . . . 4337 1 44 . 1 1 24 24 THR N N 15 120.8 0.2 . 1 . . . . . . . . 4337 1 45 . 1 1 25 25 ILE H H 1 8.73 0.02 . 1 . . . . . . . . 4337 1 46 . 1 1 25 25 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 4337 1 47 . 1 1 26 26 GLY H H 1 6.04 0.02 . 1 . . . . . . . . 4337 1 48 . 1 1 26 26 GLY N N 15 113.7 0.2 . 1 . . . . . . . . 4337 1 49 . 1 1 27 27 ILE H H 1 9.70 0.02 . 1 . . . . . . . . 4337 1 50 . 1 1 27 27 ILE N N 15 113.4 0.2 . 1 . . . . . . . . 4337 1 51 . 1 1 28 28 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4337 1 52 . 1 1 28 28 THR N N 15 106.4 0.2 . 1 . . . . . . . . 4337 1 53 . 1 1 29 29 ASP H H 1 7.51 0.02 . 1 . . . . . . . . 4337 1 54 . 1 1 29 29 ASP N N 15 115.6 0.2 . 1 . . . . . . . . 4337 1 55 . 1 1 30 30 HIS H H 1 9.09 0.02 . 1 . . . . . . . . 4337 1 56 . 1 1 30 30 HIS N N 15 117.7 0.2 . 1 . . . . . . . . 4337 1 57 . 1 1 31 31 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 4337 1 58 . 1 1 31 31 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4337 1 59 . 1 1 34 34 HIS H H 1 7.59 0.02 . 1 . . . . . . . . 4337 1 60 . 1 1 34 34 HIS N N 15 113.4 0.2 . 1 . . . . . . . . 4337 1 61 . 1 1 35 35 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4337 1 62 . 1 1 35 35 LEU N N 15 121.3 0.2 . 1 . . . . . . . . 4337 1 63 . 1 1 36 36 GLY H H 1 7.60 0.02 . 1 . . . . . . . . 4337 1 64 . 1 1 36 36 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 4337 1 65 . 1 1 37 37 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4337 1 66 . 1 1 37 37 GLU N N 15 118.1 0.2 . 1 . . . . . . . . 4337 1 67 . 1 1 38 38 VAL H H 1 9.50 0.02 . 1 . . . . . . . . 4337 1 68 . 1 1 38 38 VAL N N 15 130.2 0.2 . 1 . . . . . . . . 4337 1 69 . 1 1 39 39 VAL H H 1 9.04 0.02 . 1 . . . . . . . . 4337 1 70 . 1 1 39 39 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4337 1 71 . 1 1 40 40 PHE H H 1 8.00 0.02 . 1 . . . . . . . . 4337 1 72 . 1 1 40 40 PHE N N 15 122.2 0.2 . 1 . . . . . . . . 4337 1 73 . 1 1 41 41 VAL H H 1 7.56 0.02 . 1 . . . . . . . . 4337 1 74 . 1 1 41 41 VAL N N 15 124.1 0.2 . 1 . . . . . . . . 4337 1 75 . 1 1 42 42 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4337 1 76 . 1 1 42 42 GLU N N 15 126.7 0.2 . 1 . . . . . . . . 4337 1 77 . 1 1 43 43 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4337 1 78 . 1 1 43 43 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 4337 1 79 . 1 1 45 45 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 4337 1 80 . 1 1 45 45 GLU N N 15 116.0 0.2 . 1 . . . . . . . . 4337 1 81 . 1 1 47 47 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4337 1 82 . 1 1 47 47 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 4337 1 83 . 1 1 48 48 VAL H H 1 7.25 0.02 . 1 . . . . . . . . 4337 1 84 . 1 1 48 48 VAL N N 15 116.3 0.2 . 1 . . . . . . . . 4337 1 85 . 1 1 49 49 SER H H 1 8.55 0.02 . 1 . . . . . . . . 4337 1 86 . 1 1 49 49 SER N N 15 117.7 0.2 . 1 . . . . . . . . 4337 1 87 . 1 1 50 50 VAL H H 1 9.20 0.02 . 1 . . . . . . . . 4337 1 88 . 1 1 50 50 VAL N N 15 116.9 0.2 . 1 . . . . . . . . 4337 1 89 . 1 1 51 51 THR H H 1 9.16 0.02 . 1 . . . . . . . . 4337 1 90 . 1 1 51 51 THR N N 15 120.4 0.2 . 1 . . . . . . . . 4337 1 91 . 1 1 52 52 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4337 1 92 . 1 1 52 52 LYS N N 15 126.3 0.2 . 1 . . . . . . . . 4337 1 93 . 1 1 53 53 GLY H H 1 9.11 0.02 . 1 . . . . . . . . 4337 1 94 . 1 1 53 53 GLY N N 15 114.3 0.2 . 1 . . . . . . . . 4337 1 95 . 1 1 54 54 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 4337 1 96 . 1 1 54 54 LYS N N 15 119.2 0.2 . 1 . . . . . . . . 4337 1 97 . 1 1 55 55 GLY H H 1 8.87 0.02 . 1 . . . . . . . . 4337 1 98 . 1 1 55 55 GLY N N 15 114.2 0.2 . 1 . . . . . . . . 4337 1 99 . 1 1 56 56 PHE H H 1 8.79 0.02 . 1 . . . . . . . . 4337 1 100 . 1 1 56 56 PHE N N 15 117.9 0.2 . 1 . . . . . . . . 4337 1 101 . 1 1 57 57 GLY H H 1 7.02 0.02 . 1 . . . . . . . . 4337 1 102 . 1 1 57 57 GLY N N 15 109.7 0.2 . 1 . . . . . . . . 4337 1 103 . 1 1 58 58 ALA H H 1 8.67 0.02 . 1 . . . . . . . . 4337 1 104 . 1 1 58 58 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 4337 1 105 . 1 1 59 59 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4337 1 106 . 1 1 59 59 VAL N N 15 114.7 0.2 . 1 . . . . . . . . 4337 1 107 . 1 1 60 60 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 4337 1 108 . 1 1 60 60 GLU N N 15 123.8 0.2 . 1 . . . . . . . . 4337 1 109 . 1 1 61 61 SER H H 1 9.70 0.02 . 1 . . . . . . . . 4337 1 110 . 1 1 61 61 SER N N 15 124.0 0.2 . 1 . . . . . . . . 4337 1 111 . 1 1 62 62 VAL H H 1 8.77 0.02 . 1 . . . . . . . . 4337 1 112 . 1 1 62 62 VAL N N 15 113.4 0.2 . 1 . . . . . . . . 4337 1 113 . 1 1 63 63 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4337 1 114 . 1 1 63 63 LYS N N 15 116.7 0.2 . 1 . . . . . . . . 4337 1 115 . 1 1 64 64 ALA H H 1 7.81 0.02 . 1 . . . . . . . . 4337 1 116 . 1 1 64 64 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 4337 1 117 . 1 1 65 65 THR H H 1 8.25 0.02 . 1 . . . . . . . . 4337 1 118 . 1 1 65 65 THR N N 15 113.8 0.2 . 1 . . . . . . . . 4337 1 119 . 1 1 66 66 SER H H 1 8.99 0.02 . 1 . . . . . . . . 4337 1 120 . 1 1 66 66 SER N N 15 119.5 0.2 . 1 . . . . . . . . 4337 1 121 . 1 1 67 67 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 4337 1 122 . 1 1 67 67 ASP N N 15 126.4 0.2 . 1 . . . . . . . . 4337 1 123 . 1 1 68 68 VAL H H 1 7.78 0.02 . 1 . . . . . . . . 4337 1 124 . 1 1 68 68 VAL N N 15 120.1 0.2 . 1 . . . . . . . . 4337 1 125 . 1 1 69 69 ASN H H 1 8.65 0.02 . 1 . . . . . . . . 4337 1 126 . 1 1 69 69 ASN N N 15 124.7 0.2 . 1 . . . . . . . . 4337 1 127 . 1 1 70 70 SER H H 1 8.43 0.02 . 1 . . . . . . . . 4337 1 128 . 1 1 70 70 SER N N 15 116.2 0.2 . 1 . . . . . . . . 4337 1 129 . 1 1 72 72 ILE H H 1 6.60 0.02 . 1 . . . . . . . . 4337 1 130 . 1 1 72 72 ILE N N 15 102.1 0.2 . 1 . . . . . . . . 4337 1 131 . 1 1 74 74 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 4337 1 132 . 1 1 74 74 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 4337 1 133 . 1 1 75 75 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 4337 1 134 . 1 1 75 75 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4337 1 135 . 1 1 76 76 VAL H H 1 9.33 0.02 . 1 . . . . . . . . 4337 1 136 . 1 1 76 76 VAL N N 15 124.8 0.2 . 1 . . . . . . . . 4337 1 137 . 1 1 77 77 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 4337 1 138 . 1 1 77 77 ILE N N 15 127.0 0.2 . 1 . . . . . . . . 4337 1 139 . 1 1 78 78 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4337 1 140 . 1 1 78 78 GLU N N 15 118.9 0.2 . 1 . . . . . . . . 4337 1 141 . 1 1 79 79 VAL H H 1 9.04 0.02 . 1 . . . . . . . . 4337 1 142 . 1 1 79 79 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4337 1 143 . 1 1 80 80 ASN H H 1 7.54 0.02 . 1 . . . . . . . . 4337 1 144 . 1 1 80 80 ASN N N 15 121.0 0.2 . 1 . . . . . . . . 4337 1 145 . 1 1 81 81 THR H H 1 7.96 0.02 . 1 . . . . . . . . 4337 1 146 . 1 1 81 81 THR N N 15 118.5 0.2 . 1 . . . . . . . . 4337 1 147 . 1 1 82 82 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4337 1 148 . 1 1 82 82 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 4337 1 149 . 1 1 83 83 LEU H H 1 7.25 0.02 . 1 . . . . . . . . 4337 1 150 . 1 1 83 83 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4337 1 151 . 1 1 84 84 THR H H 1 7.38 0.02 . 1 . . . . . . . . 4337 1 152 . 1 1 84 84 THR N N 15 111.5 0.2 . 1 . . . . . . . . 4337 1 153 . 1 1 85 85 GLY H H 1 7.55 0.02 . 1 . . . . . . . . 4337 1 154 . 1 1 85 85 GLY N N 15 106.5 0.2 . 1 . . . . . . . . 4337 1 155 . 1 1 86 86 LYS H H 1 7.45 0.02 . 1 . . . . . . . . 4337 1 156 . 1 1 86 86 LYS N N 15 119.9 0.2 . 1 . . . . . . . . 4337 1 157 . 1 1 88 88 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 4337 1 158 . 1 1 88 88 GLY N N 15 102.2 0.2 . 1 . . . . . . . . 4337 1 159 . 1 1 89 89 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4337 1 160 . 1 1 89 89 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 4337 1 161 . 1 1 90 90 ILE H H 1 7.69 0.02 . 1 . . . . . . . . 4337 1 162 . 1 1 90 90 ILE N N 15 116.4 0.2 . 1 . . . . . . . . 4337 1 163 . 1 1 91 91 ASN H H 1 6.87 0.02 . 1 . . . . . . . . 4337 1 164 . 1 1 91 91 ASN N N 15 108.4 0.2 . 1 . . . . . . . . 4337 1 165 . 1 1 92 92 SER H H 1 8.08 0.02 . 1 . . . . . . . . 4337 1 166 . 1 1 92 92 SER N N 15 110.5 0.2 . 1 . . . . . . . . 4337 1 167 . 1 1 93 93 SER H H 1 8.15 0.02 . 1 . . . . . . . . 4337 1 168 . 1 1 93 93 SER N N 15 117.5 0.2 . 1 . . . . . . . . 4337 1 169 . 1 1 95 95 TYR H H 1 7.96 0.02 . 1 . . . . . . . . 4337 1 170 . 1 1 95 95 TYR N N 15 109.1 0.2 . 1 . . . . . . . . 4337 1 171 . 1 1 96 96 GLU H H 1 7.24 0.02 . 1 . . . . . . . . 4337 1 172 . 1 1 96 96 GLU N N 15 118.4 0.2 . 1 . . . . . . . . 4337 1 173 . 1 1 97 97 ASP H H 1 9.31 0.02 . 1 . . . . . . . . 4337 1 174 . 1 1 97 97 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 4337 1 175 . 1 1 98 98 GLY H H 1 9.09 0.02 . 1 . . . . . . . . 4337 1 176 . 1 1 98 98 GLY N N 15 106.3 0.2 . 1 . . . . . . . . 4337 1 177 . 1 1 99 99 TRP H H 1 6.91 0.02 . 1 . . . . . . . . 4337 1 178 . 1 1 99 99 TRP N N 15 116.2 0.2 . 1 . . . . . . . . 4337 1 179 . 1 1 100 100 MET H H 1 8.94 0.02 . 1 . . . . . . . . 4337 1 180 . 1 1 100 100 MET N N 15 114.4 0.2 . 1 . . . . . . . . 4337 1 181 . 1 1 101 101 ILE H H 1 7.47 0.02 . 1 . . . . . . . . 4337 1 182 . 1 1 101 101 ILE N N 15 105.6 0.2 . 1 . . . . . . . . 4337 1 183 . 1 1 102 102 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 4337 1 184 . 1 1 102 102 LYS N N 15 120.1 0.2 . 1 . . . . . . . . 4337 1 185 . 1 1 103 103 ILE H H 1 9.45 0.02 . 1 . . . . . . . . 4337 1 186 . 1 1 103 103 ILE N N 15 116.2 0.2 . 1 . . . . . . . . 4337 1 187 . 1 1 104 104 LYS H H 1 9.05 0.02 . 1 . . . . . . . . 4337 1 188 . 1 1 104 104 LYS N N 15 124.2 0.2 . 1 . . . . . . . . 4337 1 189 . 1 1 106 106 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4337 1 190 . 1 1 106 106 THR N N 15 113.1 0.2 . 1 . . . . . . . . 4337 1 191 . 1 1 107 107 SER H H 1 9.21 0.02 . 1 . . . . . . . . 4337 1 192 . 1 1 107 107 SER N N 15 118.0 0.2 . 1 . . . . . . . . 4337 1 193 . 1 1 109 109 ASP H H 1 8.82 0.02 . 1 . . . . . . . . 4337 1 194 . 1 1 109 109 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 4337 1 195 . 1 1 110 110 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 4337 1 196 . 1 1 110 110 GLU N N 15 119.7 0.2 . 1 . . . . . . . . 4337 1 197 . 1 1 111 111 LEU H H 1 7.70 0.02 . 1 . . . . . . . . 4337 1 198 . 1 1 111 111 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4337 1 199 . 1 1 112 112 GLU H H 1 7.44 0.02 . 1 . . . . . . . . 4337 1 200 . 1 1 112 112 GLU N N 15 115.1 0.2 . 1 . . . . . . . . 4337 1 201 . 1 1 113 113 SER H H 1 7.46 0.02 . 1 . . . . . . . . 4337 1 202 . 1 1 113 113 SER N N 15 110.7 0.2 . 1 . . . . . . . . 4337 1 203 . 1 1 114 114 LEU H H 1 6.96 0.02 . 1 . . . . . . . . 4337 1 204 . 1 1 114 114 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 4337 1 205 . 1 1 115 115 LEU H H 1 9.16 0.02 . 1 . . . . . . . . 4337 1 206 . 1 1 115 115 LEU N N 15 120.4 0.2 . 1 . . . . . . . . 4337 1 207 . 1 1 116 116 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4337 1 208 . 1 1 116 116 GLY N N 15 107.2 0.2 . 1 . . . . . . . . 4337 1 209 . 1 1 117 117 ALA H H 1 9.06 0.02 . 1 . . . . . . . . 4337 1 210 . 1 1 117 117 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4337 1 211 . 1 1 118 118 LYS H H 1 8.91 0.02 . 1 . . . . . . . . 4337 1 212 . 1 1 118 118 LYS N N 15 118.6 0.2 . 1 . . . . . . . . 4337 1 213 . 1 1 119 119 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 4337 1 214 . 1 1 119 119 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4337 1 215 . 1 1 120 120 TYR H H 1 9.34 0.02 . 1 . . . . . . . . 4337 1 216 . 1 1 120 120 TYR N N 15 123.1 0.2 . 1 . . . . . . . . 4337 1 217 . 1 1 121 121 THR H H 1 8.50 0.02 . 1 . . . . . . . . 4337 1 218 . 1 1 121 121 THR N N 15 117.9 0.2 . 1 . . . . . . . . 4337 1 219 . 1 1 122 122 LYS H H 1 7.33 0.02 . 1 . . . . . . . . 4337 1 220 . 1 1 122 122 LYS N N 15 120.8 0.2 . 1 . . . . . . . . 4337 1 221 . 1 1 123 123 PHE H H 1 8.20 0.02 . 1 . . . . . . . . 4337 1 222 . 1 1 123 123 PHE N N 15 120.5 0.2 . 1 . . . . . . . . 4337 1 223 . 1 1 124 124 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4337 1 224 . 1 1 124 124 CYS N N 15 116.5 0.2 . 1 . . . . . . . . 4337 1 225 . 1 1 125 125 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4337 1 226 . 1 1 125 125 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 4337 1 227 . 1 1 126 126 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 4337 1 228 . 1 1 126 126 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 4337 1 229 . 1 1 127 127 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 4337 1 230 . 1 1 127 127 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 4337 1 231 . 1 1 128 128 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 4337 1 232 . 1 1 128 128 ASP N N 15 117.9 0.2 . 1 . . . . . . . . 4337 1 233 . 1 1 129 129 ALA H H 1 7.51 0.02 . 1 . . . . . . . . 4337 1 234 . 1 1 129 129 ALA N N 15 121.4 0.2 . 1 . . . . . . . . 4337 1 235 . 1 1 130 130 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 4337 1 236 . 1 1 130 130 ALA N N 15 121.5 0.2 . 1 . . . . . . . . 4337 1 237 . 1 1 131 131 HIS H H 1 7.81 0.02 . 1 . . . . . . . . 4337 1 238 . 1 1 131 131 HIS N N 15 122.2 0.2 . 1 . . . . . . . . 4337 1 stop_ save_