################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7199 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.07 _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 unknown 1 $sample_1 isotropic 7199 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 ALA H H 1 8.74 0.02 . . . . . . 2 ALA H . 7199 1 2 . 1 1 2 2 ALA N N 15 131.65 0.07 . . . . . . 2 ALA N . 7199 1 3 . 1 1 3 3 PHE H H 1 8.91 0.02 . . . . . . 3 PHE H . 7199 1 4 . 1 1 3 3 PHE N N 15 120.50 0.07 . . . . . . 3 PHE N . 7199 1 5 . 1 1 4 4 LEU H H 1 8.86 0.02 . . . . . . 4 LEU H . 7199 1 6 . 1 1 4 4 LEU N N 15 125.49 0.07 . . . . . . 4 LEU N . 7199 1 7 . 1 1 5 5 TRP H H 1 9.31 0.02 . . . . . . 5 TRP H . 7199 1 8 . 1 1 5 5 TRP N N 15 127.25 0.07 . . . . . . 5 TRP N . 7199 1 9 . 1 1 6 6 ALA H H 1 8.63 0.02 . . . . . . 6 ALA H . 7199 1 10 . 1 1 6 6 ALA N N 15 121.87 0.07 . . . . . . 6 ALA N . 7199 1 11 . 1 1 7 7 GLN H H 1 9.02 0.02 . . . . . . 7 GLN H . 7199 1 12 . 1 1 7 7 GLN N N 15 114.52 0.07 . . . . . . 7 GLN N . 7199 1 13 . 1 1 8 8 ASP H H 1 8.40 0.02 . . . . . . 8 ASP H . 7199 1 14 . 1 1 8 8 ASP N N 15 119.96 0.07 . . . . . . 8 ASP N . 7199 1 15 . 1 1 9 9 ARG H H 1 7.68 0.02 . . . . . . 9 ARG H . 7199 1 16 . 1 1 9 9 ARG N N 15 115.38 0.07 . . . . . . 9 ARG N . 7199 1 17 . 1 1 10 10 ASP H H 1 8.41 0.02 . . . . . . 10 ASP H . 7199 1 18 . 1 1 10 10 ASP N N 15 118.70 0.07 . . . . . . 10 ASP N . 7199 1 19 . 1 1 11 11 GLY H H 1 7.94 0.02 . . . . . . 11 GLY H . 7199 1 20 . 1 1 11 11 GLY N N 15 107.15 0.07 . . . . . . 11 GLY N . 7199 1 21 . 1 1 12 12 LEU H H 1 9.08 0.02 . . . . . . 12 LEU H . 7199 1 22 . 1 1 12 12 LEU N N 15 125.06 0.07 . . . . . . 12 LEU N . 7199 1 23 . 1 1 13 13 ILE H H 1 8.99 0.02 . . . . . . 13 ILE H . 7199 1 24 . 1 1 13 13 ILE N N 15 111.99 0.07 . . . . . . 13 ILE N . 7199 1 25 . 1 1 14 14 GLY H H 1 7.48 0.02 . . . . . . 14 GLY H . 7199 1 26 . 1 1 14 14 GLY N N 15 106.20 0.07 . . . . . . 14 GLY N . 7199 1 27 . 1 1 15 15 LYS H H 1 8.63 0.02 . . . . . . 15 LYS H . 7199 1 28 . 1 1 15 15 LYS N N 15 122.56 0.07 . . . . . . 15 LYS N . 7199 1 29 . 1 1 16 16 ASP H H 1 10.40 0.02 . . . . . . 16 ASP H . 7199 1 30 . 1 1 16 16 ASP N N 15 130.84 0.07 . . . . . . 16 ASP N . 7199 1 31 . 1 1 17 17 GLY H H 1 9.09 0.02 . . . . . . 17 GLY H . 7199 1 32 . 1 1 17 17 GLY N N 15 104.50 0.07 . . . . . . 17 GLY N . 7199 1 33 . 1 1 18 18 HIS H H 1 7.85 0.02 . . . . . . 18 HIS H . 7199 1 34 . 1 1 18 18 HIS N N 15 117.22 0.07 . . . . . . 18 HIS N . 7199 1 35 . 1 1 19 19 LEU H H 1 8.89 0.02 . . . . . . 19 LEU H . 7199 1 36 . 1 1 19 19 LEU N N 15 122.10 0.07 . . . . . . 19 LEU N . 7199 1 37 . 1 1 21 21 TRP H H 1 5.64 0.02 . . . . . . 21 TRP H . 7199 1 38 . 1 1 21 21 TRP N N 15 111.02 0.07 . . . . . . 21 TRP N . 7199 1 39 . 1 1 22 22 HIS H H 1 8.68 0.02 . . . . . . 22 HIS H . 7199 1 40 . 1 1 22 22 HIS N N 15 119.90 0.07 . . . . . . 22 HIS N . 7199 1 41 . 1 1 23 23 LEU N N 15 125.77 0.07 . . . . . . 23 LEU N . 7199 1 42 . 1 1 25 25 ASP H H 1 8.60 0.02 . . . . . . 25 ASP H . 7199 1 43 . 1 1 26 26 ASP H H 1 6.88 0.02 . . . . . . 26 ASP H . 7199 1 44 . 1 1 26 26 ASP N N 15 115.82 0.07 . . . . . . 26 ASP N . 7199 1 45 . 1 1 27 27 LEU H H 1 7.29 0.02 . . . . . . 27 LEU H . 7199 1 46 . 1 1 27 27 LEU N N 15 119.72 0.07 . . . . . . 27 LEU N . 7199 1 47 . 1 1 28 28 HIS H H 1 8.14 0.02 . . . . . . 28 HIS H . 7199 1 48 . 1 1 28 28 HIS N N 15 116.70 0.07 . . . . . . 28 HIS N . 7199 1 49 . 1 1 29 29 TYR H H 1 8.10 0.02 . . . . . . 29 TYR H . 7199 1 50 . 1 1 29 29 TYR N N 15 124.42 0.07 . . . . . . 29 TYR N . 7199 1 51 . 1 1 30 30 PHE H H 1 9.35 0.02 . . . . . . 30 PHE H . 7199 1 52 . 1 1 30 30 PHE N N 15 121.52 0.07 . . . . . . 30 PHE N . 7199 1 53 . 1 1 31 31 ARG H H 1 8.30 0.02 . . . . . . 31 ARG H . 7199 1 54 . 1 1 31 31 ARG N N 15 122.10 0.07 . . . . . . 31 ARG N . 7199 1 55 . 1 1 32 32 ALA H H 1 7.72 0.02 . . . . . . 32 ALA H . 7199 1 56 . 1 1 32 32 ALA N N 15 121.06 0.07 . . . . . . 32 ALA N . 7199 1 57 . 1 1 33 33 GLN H H 1 7.93 0.02 . . . . . . 33 GLN H . 7199 1 58 . 1 1 33 33 GLN N N 15 112.19 0.07 . . . . . . 33 GLN N . 7199 1 59 . 1 1 34 34 THR H H 1 7.33 0.02 . . . . . . 34 THR H . 7199 1 60 . 1 1 34 34 THR N N 15 105.34 0.07 . . . . . . 34 THR N . 7199 1 61 . 1 1 35 35 VAL H H 1 7.88 0.02 . . . . . . 35 VAL H . 7199 1 62 . 1 1 35 35 VAL N N 15 119.12 0.07 . . . . . . 35 VAL N . 7199 1 63 . 1 1 36 36 GLY H H 1 9.21 0.02 . . . . . . 36 GLY H . 7199 1 64 . 1 1 36 36 GLY N N 15 111.19 0.07 . . . . . . 36 GLY N . 7199 1 65 . 1 1 37 37 LYS H H 1 7.91 0.02 . . . . . . 37 LYS H . 7199 1 66 . 1 1 37 37 LYS N N 15 120.19 0.07 . . . . . . 37 LYS N . 7199 1 67 . 1 1 38 38 ILE H H 1 8.43 0.02 . . . . . . 38 ILE H . 7199 1 68 . 1 1 38 38 ILE N N 15 118.90 0.07 . . . . . . 38 ILE N . 7199 1 69 . 1 1 39 39 MET H H 1 8.71 0.02 . . . . . . 39 MET H . 7199 1 70 . 1 1 39 39 MET N N 15 129.14 0.07 . . . . . . 39 MET N . 7199 1 71 . 1 1 40 40 VAL H H 1 9.03 0.02 . . . . . . 40 VAL H . 7199 1 72 . 1 1 40 40 VAL N N 15 128.69 0.07 . . . . . . 40 VAL N . 7199 1 73 . 1 1 41 41 VAL H H 1 9.11 0.02 . . . . . . 41 VAL H . 7199 1 74 . 1 1 41 41 VAL N N 15 120.08 0.07 . . . . . . 41 VAL N . 7199 1 75 . 1 1 42 42 GLY H H 1 8.18 0.02 . . . . . . 42 GLY H . 7199 1 76 . 1 1 42 42 GLY N N 15 106.12 0.07 . . . . . . 42 GLY N . 7199 1 77 . 1 1 43 43 ARG H H 1 8.71 0.02 . . . . . . 43 ARG H . 7199 1 78 . 1 1 43 43 ARG N N 15 118.64 0.07 . . . . . . 43 ARG N . 7199 1 79 . 1 1 44 44 ARG H H 1 8.22 0.02 . . . . . . 44 ARG H . 7199 1 80 . 1 1 44 44 ARG N N 15 116.82 0.07 . . . . . . 44 ARG N . 7199 1 81 . 1 1 45 45 THR H H 1 7.77 0.02 . . . . . . 45 THR H . 7199 1 82 . 1 1 45 45 THR N N 15 118.69 0.07 . . . . . . 45 THR N . 7199 1 83 . 1 1 46 46 TYR H H 1 7.93 0.02 . . . . . . 46 TYR H . 7199 1 84 . 1 1 46 46 TYR N N 15 120.82 0.07 . . . . . . 46 TYR N . 7199 1 85 . 1 1 47 47 GLU H H 1 8.03 0.02 . . . . . . 47 GLU H . 7199 1 86 . 1 1 47 47 GLU N N 15 111.80 0.07 . . . . . . 47 GLU N . 7199 1 87 . 1 1 48 48 SER H H 1 7.31 0.02 . . . . . . 48 SER H . 7199 1 88 . 1 1 48 48 SER N N 15 114.80 0.07 . . . . . . 48 SER N . 7199 1 89 . 1 1 49 49 PHE H H 1 7.05 0.02 . . . . . . 49 PHE H . 7199 1 90 . 1 1 49 49 PHE N N 15 120.89 0.07 . . . . . . 49 PHE N . 7199 1 91 . 1 1 51 51 LYS H H 1 6.90 0.02 . . . . . . 51 LYS H . 7199 1 92 . 1 1 51 51 LYS N N 15 115.74 0.07 . . . . . . 51 LYS N . 7199 1 93 . 1 1 52 52 ARG H H 1 7.99 0.02 . . . . . . 52 ARG H . 7199 1 94 . 1 1 52 52 ARG N N 15 118.44 0.07 . . . . . . 52 ARG N . 7199 1 95 . 1 1 54 54 LEU H H 1 9.49 0.02 . . . . . . 54 LEU H . 7199 1 96 . 1 1 54 54 LEU N N 15 119.91 0.07 . . . . . . 54 LEU N . 7199 1 97 . 1 1 56 56 GLU H H 1 9.13 0.02 . . . . . . 56 GLU H . 7199 1 98 . 1 1 56 56 GLU N N 15 113.43 0.07 . . . . . . 56 GLU N . 7199 1 99 . 1 1 57 57 ARG H H 1 7.73 0.02 . . . . . . 57 ARG H . 7199 1 100 . 1 1 57 57 ARG N N 15 112.82 0.07 . . . . . . 57 ARG N . 7199 1 101 . 1 1 58 58 THR H H 1 8.42 0.02 . . . . . . 58 THR H . 7199 1 102 . 1 1 58 58 THR N N 15 118.81 0.07 . . . . . . 58 THR N . 7199 1 103 . 1 1 59 59 ASN H H 1 9.65 0.02 . . . . . . 59 ASN H . 7199 1 104 . 1 1 59 59 ASN N N 15 126.86 0.07 . . . . . . 59 ASN N . 7199 1 105 . 1 1 60 60 VAL H H 1 9.16 0.02 . . . . . . 60 VAL H . 7199 1 106 . 1 1 60 60 VAL N N 15 125.76 0.07 . . . . . . 60 VAL N . 7199 1 107 . 1 1 61 61 VAL H H 1 8.68 0.02 . . . . . . 61 VAL H . 7199 1 108 . 1 1 61 61 VAL N N 15 126.62 0.07 . . . . . . 61 VAL N . 7199 1 109 . 1 1 62 62 LEU H H 1 8.09 0.02 . . . . . . 62 LEU H . 7199 1 110 . 1 1 62 62 LEU N N 15 128.45 0.07 . . . . . . 62 LEU N . 7199 1 111 . 1 1 63 63 THR H H 1 8.41 0.02 . . . . . . 63 THR H . 7199 1 112 . 1 1 63 63 THR N N 15 119.90 0.07 . . . . . . 63 THR N . 7199 1 113 . 1 1 65 65 GLN H H 1 8.40 0.02 . . . . . . 65 GLN H . 7199 1 114 . 1 1 65 65 GLN N N 15 112.14 0.07 . . . . . . 65 GLN N . 7199 1 115 . 1 1 66 66 GLU H H 1 8.69 0.02 . . . . . . 66 GLU H . 7199 1 116 . 1 1 66 66 GLU N N 15 127.41 0.07 . . . . . . 66 GLU N . 7199 1 117 . 1 1 67 67 ASP H H 1 8.38 0.02 . . . . . . 67 ASP H . 7199 1 118 . 1 1 67 67 ASP N N 15 116.00 0.07 . . . . . . 67 ASP N . 7199 1 119 . 1 1 68 68 TYR H H 1 7.14 0.02 . . . . . . 68 TYR H . 7199 1 120 . 1 1 68 68 TYR N N 15 121.14 0.07 . . . . . . 68 TYR N . 7199 1 121 . 1 1 69 69 GLN H H 1 7.59 0.02 . . . . . . 69 GLN H . 7199 1 122 . 1 1 69 69 GLN N N 15 126.08 0.07 . . . . . . 69 GLN N . 7199 1 123 . 1 1 70 70 ALA H H 1 8.31 0.02 . . . . . . 70 ALA H . 7199 1 124 . 1 1 70 70 ALA N N 15 126.61 0.07 . . . . . . 70 ALA N . 7199 1 125 . 1 1 71 71 GLN H H 1 8.51 0.02 . . . . . . 71 GLN H . 7199 1 126 . 1 1 71 71 GLN N N 15 123.21 0.07 . . . . . . 71 GLN N . 7199 1 127 . 1 1 72 72 GLY H H 1 8.89 0.02 . . . . . . 72 GLY H . 7199 1 128 . 1 1 72 72 GLY N N 15 113.01 0.07 . . . . . . 72 GLY N . 7199 1 129 . 1 1 73 73 ALA H H 1 7.95 0.02 . . . . . . 73 ALA H . 7199 1 130 . 1 1 73 73 ALA N N 15 122.90 0.07 . . . . . . 73 ALA N . 7199 1 131 . 1 1 74 74 VAL H H 1 8.71 0.02 . . . . . . 74 VAL H . 7199 1 132 . 1 1 74 74 VAL N N 15 123.02 0.07 . . . . . . 74 VAL N . 7199 1 133 . 1 1 75 75 VAL H H 1 8.39 0.02 . . . . . . 75 VAL H . 7199 1 134 . 1 1 75 75 VAL N N 15 127.54 0.07 . . . . . . 75 VAL N . 7199 1 135 . 1 1 76 76 VAL H H 1 8.73 0.02 . . . . . . 76 VAL H . 7199 1 136 . 1 1 76 76 VAL N N 15 119.94 0.07 . . . . . . 76 VAL N . 7199 1 137 . 1 1 77 77 HIS H H 1 8.76 0.02 . . . . . . 77 HIS H . 7199 1 138 . 1 1 77 77 HIS N N 15 113.60 0.07 . . . . . . 77 HIS N . 7199 1 139 . 1 1 78 78 ASP H H 1 7.31 0.02 . . . . . . 78 ASP H . 7199 1 140 . 1 1 78 78 ASP N N 15 114.79 0.07 . . . . . . 78 ASP N . 7199 1 141 . 1 1 79 79 VAL H H 1 8.28 0.02 . . . . . . 79 VAL H . 7199 1 142 . 1 1 79 79 VAL N N 15 118.71 0.07 . . . . . . 79 VAL N . 7199 1 143 . 1 1 80 80 ALA H H 1 8.34 0.02 . . . . . . 80 ALA H . 7199 1 144 . 1 1 80 80 ALA N N 15 123.18 0.07 . . . . . . 80 ALA N . 7199 1 145 . 1 1 81 81 ALA H H 1 8.22 0.02 . . . . . . 81 ALA H . 7199 1 146 . 1 1 81 81 ALA N N 15 120.25 0.07 . . . . . . 81 ALA N . 7199 1 147 . 1 1 82 82 VAL H H 1 7.67 0.02 . . . . . . 82 VAL H . 7199 1 148 . 1 1 82 82 VAL N N 15 119.70 0.07 . . . . . . 82 VAL N . 7199 1 149 . 1 1 83 83 PHE H H 1 7.85 0.02 . . . . . . 83 PHE H . 7199 1 150 . 1 1 83 83 PHE N N 15 117.71 0.07 . . . . . . 83 PHE N . 7199 1 151 . 1 1 84 84 ALA H H 1 8.64 0.02 . . . . . . 84 ALA H . 7199 1 152 . 1 1 84 84 ALA N N 15 122.31 0.07 . . . . . . 84 ALA N . 7199 1 153 . 1 1 85 85 TYR H H 1 7.80 0.02 . . . . . . 85 TYR H . 7199 1 154 . 1 1 85 85 TYR N N 15 119.99 0.07 . . . . . . 85 TYR N . 7199 1 155 . 1 1 86 86 ALA H H 1 8.85 0.02 . . . . . . 86 ALA H . 7199 1 156 . 1 1 86 86 ALA N N 15 122.64 0.07 . . . . . . 86 ALA N . 7199 1 157 . 1 1 87 87 LYS H H 1 8.21 0.02 . . . . . . 87 LYS H . 7199 1 158 . 1 1 87 87 LYS N N 15 117.70 0.07 . . . . . . 87 LYS N . 7199 1 159 . 1 1 88 88 GLN H H 1 7.24 0.02 . . . . . . 88 GLN H . 7199 1 160 . 1 1 88 88 GLN N N 15 114.58 0.07 . . . . . . 88 GLN N . 7199 1 161 . 1 1 89 89 HIS H H 1 7.53 0.02 . . . . . . 89 HIS H . 7199 1 162 . 1 1 89 89 HIS N N 15 117.49 0.07 . . . . . . 89 HIS N . 7199 1 163 . 1 1 91 91 ASP H H 1 8.88 0.02 . . . . . . 91 ASP H . 7199 1 164 . 1 1 91 91 ASP N N 15 116.53 0.07 . . . . . . 91 ASP N . 7199 1 165 . 1 1 92 92 GLN H H 1 7.84 0.02 . . . . . . 92 GLN H . 7199 1 166 . 1 1 93 93 GLU H H 1 8.31 0.02 . . . . . . 93 GLU H . 7199 1 167 . 1 1 93 93 GLU N N 15 122.03 0.07 . . . . . . 93 GLU N . 7199 1 168 . 1 1 94 94 LEU H H 1 8.48 0.02 . . . . . . 94 LEU H . 7199 1 169 . 1 1 94 94 LEU N N 15 123.03 0.07 . . . . . . 94 LEU N . 7199 1 170 . 1 1 95 95 VAL H H 1 9.44 0.02 . . . . . . 95 VAL H . 7199 1 171 . 1 1 95 95 VAL N N 15 126.66 0.07 . . . . . . 95 VAL N . 7199 1 172 . 1 1 96 96 ILE H H 1 9.67 0.02 . . . . . . 96 ILE H . 7199 1 173 . 1 1 96 96 ILE N N 15 127.63 0.07 . . . . . . 96 ILE N . 7199 1 174 . 1 1 97 97 ALA H H 1 9.24 0.02 . . . . . . 97 ALA H . 7199 1 175 . 1 1 97 97 ALA N N 15 128.18 0.07 . . . . . . 97 ALA N . 7199 1 176 . 1 1 98 98 GLY H H 1 5.95 0.02 . . . . . . 98 GLY H . 7199 1 177 . 1 1 98 98 GLY N N 15 103.41 0.07 . . . . . . 98 GLY N . 7199 1 178 . 1 1 99 99 GLY H H 1 7.88 0.02 . . . . . . 99 GLY H . 7199 1 179 . 1 1 99 99 GLY N N 15 107.73 0.07 . . . . . . 99 GLY N . 7199 1 180 . 1 1 100 100 ALA H H 1 8.98 0.02 . . . . . . 100 ALA H . 7199 1 181 . 1 1 100 100 ALA N N 15 123.97 0.07 . . . . . . 100 ALA N . 7199 1 182 . 1 1 101 101 GLN H H 1 8.96 0.02 . . . . . . 101 GLN H . 7199 1 183 . 1 1 101 101 GLN N N 15 115.60 0.07 . . . . . . 101 GLN N . 7199 1 184 . 1 1 102 102 ILE H H 1 7.19 0.02 . . . . . . 102 ILE H . 7199 1 185 . 1 1 102 102 ILE N N 15 121.45 0.07 . . . . . . 102 ILE N . 7199 1 186 . 1 1 103 103 PHE H H 1 7.68 0.02 . . . . . . 103 PHE H . 7199 1 187 . 1 1 103 103 PHE N N 15 117.69 0.07 . . . . . . 103 PHE N . 7199 1 188 . 1 1 104 104 THR H H 1 8.29 0.02 . . . . . . 104 THR H . 7199 1 189 . 1 1 104 104 THR N N 15 114.23 0.07 . . . . . . 104 THR N . 7199 1 190 . 1 1 105 105 ALA H H 1 7.22 0.02 . . . . . . 105 ALA H . 7199 1 191 . 1 1 105 105 ALA N N 15 122.12 0.07 . . . . . . 105 ALA N . 7199 1 192 . 1 1 106 106 PHE H H 1 7.40 0.02 . . . . . . 106 PHE H . 7199 1 193 . 1 1 106 106 PHE N N 15 112.36 0.07 . . . . . . 106 PHE N . 7199 1 194 . 1 1 107 107 LYS H H 1 7.51 0.02 . . . . . . 107 LYS H . 7199 1 195 . 1 1 107 107 LYS N N 15 120.17 0.07 . . . . . . 107 LYS N . 7199 1 196 . 1 1 108 108 ASP H H 1 8.60 0.02 . . . . . . 108 ASP H . 7199 1 197 . 1 1 108 108 ASP N N 15 118.02 0.07 . . . . . . 108 ASP N . 7199 1 198 . 1 1 109 109 ASP H H 1 7.97 0.02 . . . . . . 109 ASP H . 7199 1 199 . 1 1 109 109 ASP N N 15 118.18 0.07 . . . . . . 109 ASP N . 7199 1 200 . 1 1 110 110 VAL H H 1 7.01 0.02 . . . . . . 110 VAL H . 7199 1 201 . 1 1 110 110 VAL N N 15 117.08 0.07 . . . . . . 110 VAL N . 7199 1 202 . 1 1 111 111 ASP H H 1 8.50 0.02 . . . . . . 111 ASP H . 7199 1 203 . 1 1 111 111 ASP N N 15 121.32 0.07 . . . . . . 111 ASP N . 7199 1 204 . 1 1 112 112 THR H H 1 7.65 0.02 . . . . . . 112 THR H . 7199 1 205 . 1 1 112 112 THR N N 15 117.33 0.07 . . . . . . 112 THR N . 7199 1 206 . 1 1 113 113 LEU H H 1 9.56 0.02 . . . . . . 113 LEU H . 7199 1 207 . 1 1 113 113 LEU N N 15 125.06 0.07 . . . . . . 113 LEU N . 7199 1 208 . 1 1 114 114 LEU H H 1 9.40 0.02 . . . . . . 114 LEU H . 7199 1 209 . 1 1 114 114 LEU N N 15 125.89 0.07 . . . . . . 114 LEU N . 7199 1 210 . 1 1 115 115 VAL H H 1 7.98 0.02 . . . . . . 115 VAL H . 7199 1 211 . 1 1 115 115 VAL N N 15 121.76 0.07 . . . . . . 115 VAL N . 7199 1 212 . 1 1 116 116 THR H H 1 8.51 0.02 . . . . . . 116 THR H . 7199 1 213 . 1 1 116 116 THR N N 15 124.86 0.07 . . . . . . 116 THR N . 7199 1 214 . 1 1 117 117 ARG H H 1 9.17 0.02 . . . . . . 117 ARG H . 7199 1 215 . 1 1 117 117 ARG N N 15 126.99 0.07 . . . . . . 117 ARG N . 7199 1 216 . 1 1 118 118 LEU H H 1 9.08 0.02 . . . . . . 118 LEU H . 7199 1 217 . 1 1 118 118 LEU N N 15 130.00 0.07 . . . . . . 118 LEU N . 7199 1 218 . 1 1 119 119 ALA H H 1 8.33 0.02 . . . . . . 119 ALA H . 7199 1 219 . 1 1 119 119 ALA N N 15 120.54 0.07 . . . . . . 119 ALA N . 7199 1 220 . 1 1 120 120 GLY H H 1 8.11 0.02 . . . . . . 120 GLY H . 7199 1 221 . 1 1 120 120 GLY N N 15 103.34 0.07 . . . . . . 120 GLY N . 7199 1 222 . 1 1 121 121 SER H H 1 7.60 0.02 . . . . . . 121 SER H . 7199 1 223 . 1 1 121 121 SER N N 15 111.65 0.07 . . . . . . 121 SER N . 7199 1 224 . 1 1 122 122 PHE H H 1 9.69 0.02 . . . . . . 122 PHE H . 7199 1 225 . 1 1 122 122 PHE N N 15 126.19 0.07 . . . . . . 122 PHE N . 7199 1 226 . 1 1 123 123 GLU H H 1 8.23 0.02 . . . . . . 123 GLU H . 7199 1 227 . 1 1 123 123 GLU N N 15 119.22 0.07 . . . . . . 123 GLU N . 7199 1 228 . 1 1 124 124 GLY H H 1 8.22 0.02 . . . . . . 124 GLY H . 7199 1 229 . 1 1 124 124 GLY N N 15 107.96 0.07 . . . . . . 124 GLY N . 7199 1 230 . 1 1 125 125 ASP H H 1 8.56 0.02 . . . . . . 125 ASP H . 7199 1 231 . 1 1 125 125 ASP N N 15 115.24 0.07 . . . . . . 125 ASP N . 7199 1 232 . 1 1 126 126 THR H H 1 7.67 0.02 . . . . . . 126 THR H . 7199 1 233 . 1 1 126 126 THR N N 15 116.68 0.07 . . . . . . 126 THR N . 7199 1 234 . 1 1 127 127 LYS H H 1 8.77 0.02 . . . . . . 127 LYS H . 7199 1 235 . 1 1 127 127 LYS N N 15 127.75 0.07 . . . . . . 127 LYS N . 7199 1 236 . 1 1 128 128 MET H H 1 8.88 0.02 . . . . . . 128 MET H . 7199 1 237 . 1 1 128 128 MET N N 15 119.30 0.07 . . . . . . 128 MET N . 7199 1 238 . 1 1 129 129 ILE H H 1 7.13 0.02 . . . . . . 129 ILE H . 7199 1 239 . 1 1 129 129 ILE N N 15 117.30 0.07 . . . . . . 129 ILE N . 7199 1 240 . 1 1 131 131 LEU H H 1 7.45 0.02 . . . . . . 131 LEU H . 7199 1 241 . 1 1 131 131 LEU N N 15 121.80 0.07 . . . . . . 131 LEU N . 7199 1 242 . 1 1 132 132 ASN H H 1 8.82 0.02 . . . . . . 132 ASN H . 7199 1 243 . 1 1 132 132 ASN N N 15 118.95 0.07 . . . . . . 132 ASN N . 7199 1 244 . 1 1 133 133 TRP H H 1 7.75 0.02 . . . . . . 133 TRP H . 7199 1 245 . 1 1 133 133 TRP N N 15 123.57 0.07 . . . . . . 133 TRP N . 7199 1 246 . 1 1 134 134 ASP H H 1 8.25 0.02 . . . . . . 134 ASP H . 7199 1 247 . 1 1 134 134 ASP N N 15 115.23 0.07 . . . . . . 134 ASP N . 7199 1 248 . 1 1 135 135 ASP H H 1 7.99 0.02 . . . . . . 135 ASP H . 7199 1 249 . 1 1 135 135 ASP N N 15 117.51 0.07 . . . . . . 135 ASP N . 7199 1 250 . 1 1 136 136 PHE H H 1 8.31 0.02 . . . . . . 136 PHE H . 7199 1 251 . 1 1 136 136 PHE N N 15 118.35 0.07 . . . . . . 136 PHE N . 7199 1 252 . 1 1 137 137 THR H H 1 9.37 0.02 . . . . . . 137 THR H . 7199 1 253 . 1 1 137 137 THR N N 15 115.00 0.07 . . . . . . 137 THR N . 7199 1 254 . 1 1 138 138 LYS H H 1 8.55 0.02 . . . . . . 138 LYS H . 7199 1 255 . 1 1 138 138 LYS N N 15 131.07 0.07 . . . . . . 138 LYS N . 7199 1 256 . 1 1 139 139 VAL H H 1 9.12 0.02 . . . . . . 139 VAL H . 7199 1 257 . 1 1 139 139 VAL N N 15 125.86 0.07 . . . . . . 139 VAL N . 7199 1 258 . 1 1 140 140 SER H H 1 7.49 0.02 . . . . . . 140 SER H . 7199 1 259 . 1 1 140 140 SER N N 15 112.68 0.07 . . . . . . 140 SER N . 7199 1 260 . 1 1 141 141 SER H H 1 8.06 0.02 . . . . . . 141 SER H . 7199 1 261 . 1 1 141 141 SER N N 15 114.87 0.07 . . . . . . 141 SER N . 7199 1 262 . 1 1 142 142 ARG H H 1 8.51 0.02 . . . . . . 142 ARG H . 7199 1 263 . 1 1 142 142 ARG N N 15 125.60 0.07 . . . . . . 142 ARG N . 7199 1 264 . 1 1 143 143 THR H H 1 9.03 0.02 . . . . . . 143 THR H . 7199 1 265 . 1 1 143 143 THR N N 15 123.98 0.07 . . . . . . 143 THR N . 7199 1 266 . 1 1 144 144 VAL H H 1 9.06 0.02 . . . . . . 144 VAL H . 7199 1 267 . 1 1 144 144 VAL N N 15 130.07 0.07 . . . . . . 144 VAL N . 7199 1 268 . 1 1 145 145 GLU H H 1 8.50 0.02 . . . . . . 145 GLU H . 7199 1 269 . 1 1 145 145 GLU N N 15 126.55 0.07 . . . . . . 145 GLU N . 7199 1 270 . 1 1 146 146 ASP H H 1 8.16 0.02 . . . . . . 146 ASP H . 7199 1 271 . 1 1 146 146 ASP N N 15 126.16 0.07 . . . . . . 146 ASP N . 7199 1 272 . 1 1 147 147 THR H H 1 7.88 0.02 . . . . . . 147 THR H . 7199 1 273 . 1 1 147 147 THR N N 15 117.79 0.07 . . . . . . 147 THR N . 7199 1 274 . 1 1 148 148 ASN H H 1 9.80 0.02 . . . . . . 148 ASN H . 7199 1 275 . 1 1 148 148 ASN N N 15 122.14 0.07 . . . . . . 148 ASN N . 7199 1 276 . 1 1 150 150 ALA H H 1 7.69 0.02 . . . . . . 150 ALA H . 7199 1 277 . 1 1 150 150 ALA N N 15 119.08 0.07 . . . . . . 150 ALA N . 7199 1 278 . 1 1 151 151 LEU H H 1 8.15 0.02 . . . . . . 151 LEU H . 7199 1 279 . 1 1 151 151 LEU N N 15 112.23 0.07 . . . . . . 151 LEU N . 7199 1 280 . 1 1 152 152 THR H H 1 7.42 0.02 . . . . . . 152 THR H . 7199 1 281 . 1 1 152 152 THR N N 15 124.89 0.07 . . . . . . 152 THR N . 7199 1 282 . 1 1 153 153 HIS H H 1 8.52 0.02 . . . . . . 153 HIS H . 7199 1 283 . 1 1 153 153 HIS N N 15 119.95 0.07 . . . . . . 153 HIS N . 7199 1 284 . 1 1 154 154 THR H H 1 8.55 0.02 . . . . . . 154 THR H . 7199 1 285 . 1 1 154 154 THR N N 15 116.68 0.07 . . . . . . 154 THR N . 7199 1 286 . 1 1 155 155 TYR H H 1 9.07 0.02 . . . . . . 155 TYR H . 7199 1 287 . 1 1 155 155 TYR N N 15 125.14 0.07 . . . . . . 155 TYR N . 7199 1 288 . 1 1 156 156 GLU H H 1 9.60 0.02 . . . . . . 156 GLU H . 7199 1 289 . 1 1 156 156 GLU N N 15 123.64 0.07 . . . . . . 156 GLU N . 7199 1 290 . 1 1 157 157 VAL H H 1 8.02 0.02 . . . . . . 157 VAL H . 7199 1 291 . 1 1 157 157 VAL N N 15 122.80 0.07 . . . . . . 157 VAL N . 7199 1 292 . 1 1 158 158 TRP H H 1 9.91 0.02 . . . . . . 158 TRP H . 7199 1 293 . 1 1 158 158 TRP N N 15 127.38 0.07 . . . . . . 158 TRP N . 7199 1 294 . 1 1 159 159 GLN H H 1 9.50 0.02 . . . . . . 159 GLN H . 7199 1 295 . 1 1 159 159 GLN N N 15 120.29 0.07 . . . . . . 159 GLN N . 7199 1 296 . 1 1 160 160 LYS H H 1 8.76 0.02 . . . . . . 160 LYS H . 7199 1 297 . 1 1 160 160 LYS N N 15 127.03 0.07 . . . . . . 160 LYS N . 7199 1 298 . 1 1 161 161 LYS H H 1 8.51 0.02 . . . . . . 161 LYS H . 7199 1 299 . 1 1 161 161 LYS N N 15 126.68 0.07 . . . . . . 161 LYS N . 7199 1 300 . 1 1 162 162 ALA H H 1 7.86 0.02 . . . . . . 162 ALA H . 7199 1 301 . 1 1 162 162 ALA N N 15 130.82 0.07 . . . . . . 162 ALA N . 7199 1 stop_ save_