################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16634 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 16634 1 2 '3D HNCACB' . . . 16634 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 LEU H H 1 8.99 0.02 1 1 . . . . 2 LEU H . 16634 1 2 . 1 1 2 2 LEU N N 15 122.93 0.20 1 1 . . . . 2 LEU N . 16634 1 3 . 1 1 3 3 ALA H H 1 8.20 0.02 1 1 . . . . 3 ALA H . 16634 1 4 . 1 1 3 3 ALA N N 15 120.95 0.20 1 1 . . . . 3 ALA N . 16634 1 5 . 1 1 4 4 GLU H H 1 8.77 0.02 1 1 . . . . 4 GLU H . 16634 1 6 . 1 1 4 4 GLU N N 15 121.27 0.20 1 1 . . . . 4 GLU N . 16634 1 7 . 1 1 5 5 GLY H H 1 11.31 0.02 1 1 . . . . 5 GLY H . 16634 1 8 . 1 1 5 5 GLY N N 15 120.12 0.20 1 1 . . . . 5 GLY N . 16634 1 9 . 1 1 6 6 THR H H 1 7.89 0.02 1 1 . . . . 6 THR H . 16634 1 10 . 1 1 6 6 THR N N 15 116.93 0.20 1 1 . . . . 6 THR N . 16634 1 11 . 1 1 7 7 ARG H H 1 9.63 0.02 1 1 . . . . 7 ARG H . 16634 1 12 . 1 1 7 7 ARG N N 15 130.46 0.20 1 1 . . . . 7 ARG N . 16634 1 13 . 1 1 8 8 ILE H H 1 9.55 0.02 1 1 . . . . 8 ILE H . 16634 1 14 . 1 1 8 8 ILE N N 15 123.15 0.20 1 1 . . . . 8 ILE N . 16634 1 15 . 1 1 9 9 PHE H H 1 8.26 0.02 1 1 . . . . 9 PHE H . 16634 1 16 . 1 1 9 9 PHE N N 15 129.25 0.20 1 1 . . . . 9 PHE N . 16634 1 17 . 1 1 10 10 ASP H H 1 8.31 0.02 1 1 . . . . 10 ASP H . 16634 1 18 . 1 1 10 10 ASP N N 15 128.20 0.20 1 1 . . . . 10 ASP N . 16634 1 19 . 1 1 12 12 VAL H H 1 8.98 0.02 1 1 . . . . 12 VAL H . 16634 1 20 . 1 1 12 12 VAL N N 15 124.20 0.20 1 1 . . . . 12 VAL N . 16634 1 21 . 1 1 13 13 THR H H 1 7.16 0.02 1 1 . . . . 13 THR H . 16634 1 22 . 1 1 13 13 THR N N 15 107.23 0.20 1 1 . . . . 13 THR N . 16634 1 23 . 1 1 14 14 GLY H H 1 8.40 0.02 1 1 . . . . 14 GLY H . 16634 1 24 . 1 1 14 14 GLY N N 15 113.00 0.20 1 1 . . . . 14 GLY N . 16634 1 25 . 1 1 15 15 THR H H 1 7.67 0.02 1 1 . . . . 15 THR H . 16634 1 26 . 1 1 15 15 THR N N 15 117.23 0.20 1 1 . . . . 15 THR N . 16634 1 27 . 1 1 16 16 THR H H 1 8.52 0.02 1 1 . . . . 16 THR H . 16634 1 28 . 1 1 16 16 THR N N 15 120.43 0.20 1 1 . . . . 16 THR N . 16634 1 29 . 1 1 17 17 HIS H H 1 9.03 0.02 1 1 . . . . 17 HIS H . 16634 1 30 . 1 1 17 17 HIS N N 15 126.87 0.20 1 1 . . . . 17 HIS N . 16634 1 31 . 1 1 18 18 ARG H H 1 9.39 0.02 1 1 . . . . 18 ARG H . 16634 1 32 . 1 1 18 18 ARG N N 15 120.88 0.20 1 1 . . . . 18 ARG N . 16634 1 33 . 1 1 19 19 ILE H H 1 9.08 0.02 1 1 . . . . 19 ILE H . 16634 1 34 . 1 1 19 19 ILE N N 15 125.49 0.20 1 1 . . . . 19 ILE N . 16634 1 35 . 1 1 20 20 GLU H H 1 10.85 0.02 1 1 . . . . 20 GLU H . 16634 1 36 . 1 1 20 20 GLU N N 15 123.73 0.20 1 1 . . . . 20 GLU N . 16634 1 37 . 1 1 21 21 ASP H H 1 7.31 0.02 1 1 . . . . 21 ASP H . 16634 1 38 . 1 1 21 21 ASP N N 15 124.53 0.20 1 1 . . . . 21 ASP N . 16634 1 39 . 1 1 22 22 VAL H H 1 7.47 0.02 1 1 . . . . 22 VAL H . 16634 1 40 . 1 1 22 22 VAL N N 15 122.03 0.20 1 1 . . . . 22 VAL N . 16634 1 41 . 1 1 23 23 VAL H H 1 8.35 0.02 1 1 . . . . 23 VAL H . 16634 1 42 . 1 1 23 23 VAL N N 15 116.68 0.20 1 1 . . . . 23 VAL N . 16634 1 43 . 1 1 24 24 GLY H H 1 8.33 0.02 1 1 . . . . 24 GLY H . 16634 1 44 . 1 1 24 24 GLY N N 15 108.24 0.20 1 1 . . . . 24 GLY N . 16634 1 45 . 1 1 25 25 GLY H H 1 7.36 0.02 1 1 . . . . 25 GLY H . 16634 1 46 . 1 1 25 25 GLY N N 15 103.80 0.20 1 1 . . . . 25 GLY N . 16634 1 47 . 1 1 26 26 ARG H H 1 7.28 0.02 1 1 . . . . 26 ARG H . 16634 1 48 . 1 1 26 26 ARG N N 15 122.15 0.20 1 1 . . . . 26 ARG N . 16634 1 49 . 1 1 27 27 LYS H H 1 8.05 0.02 1 1 . . . . 27 LYS H . 16634 1 50 . 1 1 27 27 LYS N N 15 115.88 0.20 1 1 . . . . 27 LYS N . 16634 1 51 . 1 1 29 29 ILE H H 1 7.54 0.02 1 1 . . . . 29 ILE H . 16634 1 52 . 1 1 29 29 ILE N N 15 116.71 0.20 1 1 . . . . 29 ILE N . 16634 1 53 . 1 1 30 30 HIS H H 1 8.28 0.02 1 1 . . . . 30 HIS H . 16634 1 54 . 1 1 30 30 HIS N N 15 118.39 0.20 1 1 . . . . 30 HIS N . 16634 1 55 . 1 1 31 31 VAL H H 1 8.61 0.02 1 1 . . . . 31 VAL H . 16634 1 56 . 1 1 31 31 VAL N N 15 107.33 0.20 1 1 . . . . 31 VAL N . 16634 1 57 . 1 1 32 32 VAL H H 1 8.88 0.02 1 1 . . . . 32 VAL H . 16634 1 58 . 1 1 32 32 VAL N N 15 120.02 0.20 1 1 . . . . 32 VAL N . 16634 1 59 . 1 1 33 33 ALA H H 1 9.30 0.02 1 1 . . . . 33 ALA H . 16634 1 60 . 1 1 33 33 ALA N N 15 129.10 0.20 1 1 . . . . 33 ALA N . 16634 1 61 . 1 1 34 34 ALA H H 1 8.12 0.02 1 1 . . . . 34 ALA H . 16634 1 62 . 1 1 34 34 ALA N N 15 121.30 0.20 1 1 . . . . 34 ALA N . 16634 1 63 . 1 1 35 35 ALA H H 1 9.11 0.02 1 1 . . . . 35 ALA H . 16634 1 64 . 1 1 35 35 ALA N N 15 125.98 0.20 1 1 . . . . 35 ALA N . 16634 1 65 . 1 1 36 36 LYS H H 1 9.00 0.02 1 1 . . . . 36 LYS H . 16634 1 66 . 1 1 36 36 LYS N N 15 121.19 0.20 1 1 . . . . 36 LYS N . 16634 1 67 . 1 1 37 37 ASP H H 1 7.78 0.02 1 1 . . . . 37 ASP H . 16634 1 68 . 1 1 37 37 ASP N N 15 115.85 0.20 1 1 . . . . 37 ASP N . 16634 1 69 . 1 1 38 38 GLY H H 1 8.16 0.02 1 1 . . . . 38 GLY H . 16634 1 70 . 1 1 38 38 GLY N N 15 107.75 0.20 1 1 . . . . 38 GLY N . 16634 1 71 . 1 1 39 39 THR H H 1 7.70 0.02 1 1 . . . . 39 THR H . 16634 1 72 . 1 1 39 39 THR N N 15 110.45 0.20 1 1 . . . . 39 THR N . 16634 1 73 . 1 1 40 40 LEU H H 1 8.26 0.02 1 1 . . . . 40 LEU H . 16634 1 74 . 1 1 40 40 LEU N N 15 120.88 0.20 1 1 . . . . 40 LEU N . 16634 1 75 . 1 1 41 41 HIS H H 1 9.26 0.02 1 1 . . . . 41 HIS H . 16634 1 76 . 1 1 41 41 HIS N N 15 120.29 0.20 1 1 . . . . 41 HIS N . 16634 1 77 . 1 1 42 42 ALA H H 1 9.19 0.02 1 1 . . . . 42 ALA H . 16634 1 78 . 1 1 42 42 ALA N N 15 125.37 0.20 1 1 . . . . 42 ALA N . 16634 1 79 . 1 1 43 43 ARG H H 1 9.02 0.02 1 1 . . . . 43 ARG H . 16634 1 80 . 1 1 43 43 ARG N N 15 124.69 0.20 1 1 . . . . 43 ARG N . 16634 1 81 . 1 1 45 45 VAL H H 1 7.86 0.02 1 1 . . . . 45 VAL H . 16634 1 82 . 1 1 45 45 VAL N N 15 119.25 0.20 1 1 . . . . 45 VAL N . 16634 1 83 . 1 1 46 46 VAL H H 1 8.24 0.02 1 1 . . . . 46 VAL H . 16634 1 84 . 1 1 46 46 VAL N N 15 114.74 0.20 1 1 . . . . 46 VAL N . 16634 1 85 . 1 1 47 47 SER H H 1 6.48 0.02 1 1 . . . . 47 SER H . 16634 1 86 . 1 1 47 47 SER N N 15 113.42 0.20 1 1 . . . . 47 SER N . 16634 1 87 . 1 1 48 48 TRP H H 1 7.65 0.02 1 1 . . . . 48 TRP H . 16634 1 88 . 1 1 48 48 TRP N N 15 120.81 0.20 1 1 . . . . 48 TRP N . 16634 1 89 . 1 1 49 49 PHE H H 1 8.90 0.02 1 1 . . . . 49 PHE H . 16634 1 90 . 1 1 49 49 PHE N N 15 120.48 0.20 1 1 . . . . 49 PHE N . 16634 1 91 . 1 1 50 50 ASP H H 1 9.10 0.02 1 1 . . . . 50 ASP H . 16634 1 92 . 1 1 50 50 ASP N N 15 127.61 0.20 1 1 . . . . 50 ASP N . 16634 1 93 . 1 1 51 51 GLN H H 1 8.01 0.02 1 1 . . . . 51 GLN H . 16634 1 94 . 1 1 51 51 GLN N N 15 123.41 0.20 1 1 . . . . 51 GLN N . 16634 1 95 . 1 1 52 52 GLY H H 1 8.06 0.02 1 1 . . . . 52 GLY H . 16634 1 96 . 1 1 52 52 GLY N N 15 108.53 0.20 1 1 . . . . 52 GLY N . 16634 1 97 . 1 1 53 53 THR H H 1 8.65 0.02 1 1 . . . . 53 THR H . 16634 1 98 . 1 1 53 53 THR N N 15 119.30 0.20 1 1 . . . . 53 THR N . 16634 1 99 . 1 1 54 54 ARG H H 1 8.87 0.02 1 1 . . . . 54 ARG H . 16634 1 100 . 1 1 54 54 ARG N N 15 126.12 0.20 1 1 . . . . 54 ARG N . 16634 1 101 . 1 1 55 55 ASP H H 1 8.03 0.02 1 1 . . . . 55 ASP H . 16634 1 102 . 1 1 55 55 ASP N N 15 119.74 0.20 1 1 . . . . 55 ASP N . 16634 1 103 . 1 1 56 56 VAL H H 1 9.49 0.02 1 1 . . . . 56 VAL H . 16634 1 104 . 1 1 56 56 VAL N N 15 114.61 0.20 1 1 . . . . 56 VAL N . 16634 1 105 . 1 1 57 57 ILE H H 1 8.98 0.02 1 1 . . . . 57 ILE H . 16634 1 106 . 1 1 57 57 ILE N N 15 114.80 0.20 1 1 . . . . 57 ILE N . 16634 1 107 . 1 1 58 58 GLY H H 1 6.71 0.02 1 1 . . . . 58 GLY H . 16634 1 108 . 1 1 58 58 GLY N N 15 107.67 0.20 1 1 . . . . 58 GLY N . 16634 1 109 . 1 1 59 59 LEU H H 1 8.72 0.02 1 1 . . . . 59 LEU H . 16634 1 110 . 1 1 59 59 LEU N N 15 123.52 0.20 1 1 . . . . 59 LEU N . 16634 1 111 . 1 1 60 60 ARG H H 1 8.62 0.02 1 1 . . . . 60 ARG H . 16634 1 112 . 1 1 60 60 ARG N N 15 123.88 0.20 1 1 . . . . 60 ARG N . 16634 1 113 . 1 1 61 61 ILE H H 1 9.13 0.02 1 1 . . . . 61 ILE H . 16634 1 114 . 1 1 61 61 ILE N N 15 128.53 0.20 1 1 . . . . 61 ILE N . 16634 1 115 . 1 1 62 62 ALA H H 1 8.62 0.02 1 1 . . . . 62 ALA H . 16634 1 116 . 1 1 62 62 ALA N N 15 128.60 0.20 1 1 . . . . 62 ALA N . 16634 1 117 . 1 1 64 64 GLY H H 1 8.21 0.02 1 1 . . . . 64 GLY H . 16634 1 118 . 1 1 64 64 GLY N N 15 107.92 0.20 1 1 . . . . 64 GLY N . 16634 1 119 . 1 1 65 65 ALA H H 1 7.98 0.02 1 1 . . . . 65 ALA H . 16634 1 120 . 1 1 65 65 ALA N N 15 125.50 0.20 1 1 . . . . 65 ALA N . 16634 1 121 . 1 1 66 66 ILE H H 1 8.09 0.02 1 1 . . . . 66 ILE H . 16634 1 122 . 1 1 66 66 ILE N N 15 118.66 0.20 1 1 . . . . 66 ILE N . 16634 1 123 . 1 1 67 67 VAL H H 1 8.14 0.02 1 1 . . . . 67 VAL H . 16634 1 124 . 1 1 67 67 VAL N N 15 125.29 0.20 1 1 . . . . 67 VAL N . 16634 1 125 . 1 1 68 68 TRP H H 1 9.72 0.02 1 1 . . . . 68 TRP H . 16634 1 126 . 1 1 68 68 TRP N N 15 129.00 0.20 1 1 . . . . 68 TRP N . 16634 1 127 . 1 1 69 69 ALA H H 1 8.92 0.02 1 1 . . . . 69 ALA H . 16634 1 128 . 1 1 69 69 ALA N N 15 124.45 0.20 1 1 . . . . 69 ALA N . 16634 1 129 . 1 1 70 70 THR H H 1 8.74 0.02 1 1 . . . . 70 THR H . 16634 1 130 . 1 1 70 70 THR N N 15 112.26 0.20 1 1 . . . . 70 THR N . 16634 1 131 . 1 1 72 72 ASP H H 1 8.74 0.02 1 1 . . . . 72 ASP H . 16634 1 132 . 1 1 72 72 ASP N N 15 112.26 0.20 1 1 . . . . 72 ASP N . 16634 1 133 . 1 1 73 73 HIS H H 1 8.34 0.02 1 1 . . . . 73 HIS H . 16634 1 134 . 1 1 73 73 HIS N N 15 125.14 0.20 1 1 . . . . 73 HIS N . 16634 1 135 . 1 1 74 74 LYS H H 1 8.42 0.02 1 1 . . . . 74 LYS H . 16634 1 136 . 1 1 74 74 LYS N N 15 127.66 0.20 1 1 . . . . 74 LYS N . 16634 1 137 . 1 1 75 75 VAL H H 1 9.46 0.02 1 1 . . . . 75 VAL H . 16634 1 138 . 1 1 75 75 VAL N N 15 125.63 0.20 1 1 . . . . 75 VAL N . 16634 1 139 . 1 1 76 76 LEU H H 1 8.20 0.02 1 1 . . . . 76 LEU H . 16634 1 140 . 1 1 76 76 LEU N N 15 129.93 0.20 1 1 . . . . 76 LEU N . 16634 1 141 . 1 1 77 77 THR H H 1 7.40 0.02 1 1 . . . . 77 THR H . 16634 1 142 . 1 1 77 77 THR N N 15 116.34 0.20 1 1 . . . . 77 THR N . 16634 1 143 . 1 1 78 78 GLU H H 1 8.18 0.02 1 1 . . . . 78 GLU H . 16634 1 144 . 1 1 78 78 GLU N N 15 120.13 0.20 1 1 . . . . 78 GLU N . 16634 1 145 . 1 1 79 79 TYR H H 1 7.73 0.02 1 1 . . . . 79 TYR H . 16634 1 146 . 1 1 79 79 TYR N N 15 117.29 0.20 1 1 . . . . 79 TYR N . 16634 1 147 . 1 1 80 80 GLY H H 1 7.36 0.02 1 1 . . . . 80 GLY H . 16634 1 148 . 1 1 80 80 GLY N N 15 106.92 0.20 1 1 . . . . 80 GLY N . 16634 1 149 . 1 1 81 81 TRP H H 1 9.13 0.02 1 1 . . . . 81 TRP H . 16634 1 150 . 1 1 81 81 TRP N N 15 125.82 0.20 1 1 . . . . 81 TRP N . 16634 1 151 . 1 1 82 82 ARG H H 1 9.41 0.02 1 1 . . . . 82 ARG H . 16634 1 152 . 1 1 82 82 ARG N N 15 124.63 0.20 1 1 . . . . 82 ARG N . 16634 1 153 . 1 1 83 83 ALA H H 1 8.84 0.02 1 1 . . . . 83 ALA H . 16634 1 154 . 1 1 83 83 ALA N N 15 126.02 0.20 1 1 . . . . 83 ALA N . 16634 1 155 . 1 1 84 84 ALA H H 1 9.34 0.02 1 1 . . . . 84 ALA H . 16634 1 156 . 1 1 84 84 ALA N N 15 125.84 0.20 1 1 . . . . 84 ALA N . 16634 1 157 . 1 1 85 85 GLY H H 1 9.75 0.02 1 1 . . . . 85 GLY H . 16634 1 158 . 1 1 85 85 GLY N N 15 102.34 0.20 1 1 . . . . 85 GLY N . 16634 1 159 . 1 1 86 86 GLU H H 1 8.15 0.02 1 1 . . . . 86 GLU H . 16634 1 160 . 1 1 86 86 GLU N N 15 117.62 0.20 1 1 . . . . 86 GLU N . 16634 1 161 . 1 1 87 87 LEU H H 1 7.21 0.02 1 1 . . . . 87 LEU H . 16634 1 162 . 1 1 87 87 LEU N N 15 119.83 0.20 1 1 . . . . 87 LEU N . 16634 1 163 . 1 1 88 88 ARG H H 1 9.11 0.02 1 1 . . . . 88 ARG H . 16634 1 164 . 1 1 88 88 ARG N N 15 120.80 0.20 1 1 . . . . 88 ARG N . 16634 1 165 . 1 1 89 89 LYS H H 1 8.45 0.02 1 1 . . . . 89 LYS H . 16634 1 166 . 1 1 89 89 LYS N N 15 119.88 0.20 1 1 . . . . 89 LYS N . 16634 1 167 . 1 1 90 90 GLY H H 1 8.86 0.02 1 1 . . . . 90 GLY H . 16634 1 168 . 1 1 90 90 GLY N N 15 115.05 0.20 1 1 . . . . 90 GLY N . 16634 1 169 . 1 1 91 91 ASP H H 1 8.18 0.02 1 1 . . . . 91 ASP H . 16634 1 170 . 1 1 91 91 ASP N N 15 121.76 0.20 1 1 . . . . 91 ASP N . 16634 1 171 . 1 1 92 92 ARG H H 1 8.82 0.02 1 1 . . . . 92 ARG H . 16634 1 172 . 1 1 92 92 ARG N N 15 118.10 0.20 1 1 . . . . 92 ARG N . 16634 1 173 . 1 1 93 93 VAL H H 1 8.86 0.02 1 1 . . . . 93 VAL H . 16634 1 174 . 1 1 93 93 VAL N N 15 115.39 0.20 1 1 . . . . 93 VAL N . 16634 1 175 . 1 1 94 94 ALA H H 1 8.54 0.02 1 1 . . . . 94 ALA H . 16634 1 176 . 1 1 94 94 ALA N N 15 126.20 0.20 1 1 . . . . 94 ALA N . 16634 1 177 . 1 1 95 95 VAL H H 1 8.87 0.02 1 1 . . . . 95 VAL H . 16634 1 178 . 1 1 95 95 VAL N N 15 115.63 0.20 1 1 . . . . 95 VAL N . 16634 1 179 . 1 1 96 96 ARG H H 1 8.15 0.02 1 1 . . . . 96 ARG H . 16634 1 180 . 1 1 96 96 ARG N N 15 119.79 0.20 1 1 . . . . 96 ARG N . 16634 1 181 . 1 1 97 97 ASP H H 1 8.89 0.02 1 1 . . . . 97 ASP H . 16634 1 182 . 1 1 97 97 ASP N N 15 131.32 0.20 1 1 . . . . 97 ASP N . 16634 1 183 . 1 1 98 98 VAL H H 1 8.46 0.02 1 1 . . . . 98 VAL H . 16634 1 184 . 1 1 98 98 VAL N N 15 126.17 0.20 1 1 . . . . 98 VAL N . 16634 1 185 . 1 1 99 99 GLU H H 1 8.22 0.02 1 1 . . . . 99 GLU H . 16634 1 186 . 1 1 99 99 GLU N N 15 118.98 0.20 1 1 . . . . 99 GLU N . 16634 1 187 . 1 1 100 100 THR H H 1 8.05 0.02 1 1 . . . . 100 THR H . 16634 1 188 . 1 1 100 100 THR N N 15 106.43 0.20 1 1 . . . . 100 THR N . 16634 1 189 . 1 1 101 101 GLY H H 1 8.20 0.02 1 1 . . . . 101 GLY H . 16634 1 190 . 1 1 101 101 GLY N N 15 111.27 0.20 1 1 . . . . 101 GLY N . 16634 1 191 . 1 1 102 102 GLU H H 1 7.54 0.02 1 1 . . . . 102 GLU H . 16634 1 192 . 1 1 102 102 GLU N N 15 118.54 0.20 1 1 . . . . 102 GLU N . 16634 1 193 . 1 1 103 103 LEU H H 1 8.39 0.02 1 1 . . . . 103 LEU H . 16634 1 194 . 1 1 103 103 LEU N N 15 121.66 0.20 1 1 . . . . 103 LEU N . 16634 1 195 . 1 1 104 104 ARG H H 1 9.09 0.02 1 1 . . . . 104 ARG H . 16634 1 196 . 1 1 104 104 ARG N N 15 126.87 0.20 1 1 . . . . 104 ARG N . 16634 1 197 . 1 1 105 105 TYR H H 1 8.35 0.02 1 1 . . . . 105 TYR H . 16634 1 198 . 1 1 105 105 TYR N N 15 116.45 0.20 1 1 . . . . 105 TYR N . 16634 1 199 . 1 1 106 106 SER H H 1 9.28 0.02 1 1 . . . . 106 SER H . 16634 1 200 . 1 1 106 106 SER N N 15 118.45 0.20 1 1 . . . . 106 SER N . 16634 1 201 . 1 1 107 107 VAL H H 1 8.35 0.02 1 1 . . . . 107 VAL H . 16634 1 202 . 1 1 107 107 VAL N N 15 122.19 0.20 1 1 . . . . 107 VAL N . 16634 1 203 . 1 1 108 108 ILE H H 1 8.76 0.02 1 1 . . . . 108 ILE H . 16634 1 204 . 1 1 108 108 ILE N N 15 123.42 0.20 1 1 . . . . 108 ILE N . 16634 1 205 . 1 1 109 109 ARG H H 1 9.53 0.02 1 1 . . . . 109 ARG H . 16634 1 206 . 1 1 109 109 ARG N N 15 130.35 0.20 1 1 . . . . 109 ARG N . 16634 1 207 . 1 1 110 110 GLU H H 1 7.66 0.02 1 1 . . . . 110 GLU H . 16634 1 208 . 1 1 110 110 GLU N N 15 117.05 0.20 1 1 . . . . 110 GLU N . 16634 1 209 . 1 1 111 111 VAL H H 1 8.72 0.02 1 1 . . . . 111 VAL H . 16634 1 210 . 1 1 111 111 VAL N N 15 125.74 0.20 1 1 . . . . 111 VAL N . 16634 1 211 . 1 1 112 112 LEU H H 1 9.77 0.02 1 1 . . . . 112 LEU H . 16634 1 212 . 1 1 112 112 LEU N N 15 132.54 0.20 1 1 . . . . 112 LEU N . 16634 1 213 . 1 1 114 114 THR H H 1 7.75 0.02 1 1 . . . . 114 THR H . 16634 1 214 . 1 1 114 114 THR N N 15 112.94 0.20 1 1 . . . . 114 THR N . 16634 1 215 . 1 1 115 115 ARG H H 1 9.16 0.02 1 1 . . . . 115 ARG H . 16634 1 216 . 1 1 115 115 ARG N N 15 123.40 0.20 1 1 . . . . 115 ARG N . 16634 1 217 . 1 1 116 116 ARG H H 1 8.40 0.02 1 1 . . . . 116 ARG H . 16634 1 218 . 1 1 116 116 ARG N N 15 119.22 0.20 1 1 . . . . 116 ARG N . 16634 1 219 . 1 1 117 117 ALA H H 1 8.75 0.02 1 1 . . . . 117 ALA H . 16634 1 220 . 1 1 117 117 ALA N N 15 125.06 0.20 1 1 . . . . 117 ALA N . 16634 1 221 . 1 1 118 118 ARG H H 1 8.74 0.02 1 1 . . . . 118 ARG H . 16634 1 222 . 1 1 118 118 ARG N N 15 120.97 0.20 1 1 . . . . 118 ARG N . 16634 1 223 . 1 1 119 119 THR H H 1 7.76 0.02 1 1 . . . . 119 THR H . 16634 1 224 . 1 1 119 119 THR N N 15 111.55 0.20 1 1 . . . . 119 THR N . 16634 1 225 . 1 1 120 120 PHE H H 1 8.98 0.02 1 1 . . . . 120 PHE H . 16634 1 226 . 1 1 120 120 PHE N N 15 114.80 0.20 1 1 . . . . 120 PHE N . 16634 1 227 . 1 1 121 121 GLY H H 1 9.53 0.02 1 1 . . . . 121 GLY H . 16634 1 228 . 1 1 121 121 GLY N N 15 107.77 0.20 1 1 . . . . 121 GLY N . 16634 1 229 . 1 1 122 122 LEU H H 1 8.43 0.02 1 1 . . . . 122 LEU H . 16634 1 230 . 1 1 122 122 LEU N N 15 118.87 0.20 1 1 . . . . 122 LEU N . 16634 1 231 . 1 1 123 123 GLU H H 1 7.09 0.02 1 1 . . . . 123 GLU H . 16634 1 232 . 1 1 123 123 GLU N N 15 118.58 0.20 1 1 . . . . 123 GLU N . 16634 1 233 . 1 1 124 124 VAL H H 1 8.86 0.02 1 1 . . . . 124 VAL H . 16634 1 234 . 1 1 124 124 VAL N N 15 129.45 0.20 1 1 . . . . 124 VAL N . 16634 1 235 . 1 1 125 125 GLU H H 1 8.15 0.02 1 1 . . . . 125 GLU H . 16634 1 236 . 1 1 125 125 GLU N N 15 128.75 0.20 1 1 . . . . 125 GLU N . 16634 1 237 . 1 1 126 126 GLU H H 1 8.54 0.02 1 1 . . . . 126 GLU H . 16634 1 238 . 1 1 126 126 GLU N N 15 121.11 0.20 1 1 . . . . 126 GLU N . 16634 1 239 . 1 1 127 127 LEU H H 1 9.42 0.02 1 1 . . . . 127 LEU H . 16634 1 240 . 1 1 127 127 LEU N N 15 120.83 0.20 1 1 . . . . 127 LEU N . 16634 1 241 . 1 1 128 128 HIS H H 1 7.10 0.02 1 1 . . . . 128 HIS H . 16634 1 242 . 1 1 128 128 HIS N N 15 107.70 0.20 1 1 . . . . 128 HIS N . 16634 1 243 . 1 1 129 129 THR H H 1 6.93 0.02 1 1 . . . . 129 THR H . 16634 1 244 . 1 1 129 129 THR N N 15 105.49 0.20 1 1 . . . . 129 THR N . 16634 1 245 . 1 1 130 130 LEU H H 1 9.13 0.02 1 1 . . . . 130 LEU H . 16634 1 246 . 1 1 130 130 LEU N N 15 111.69 0.20 1 1 . . . . 130 LEU N . 16634 1 247 . 1 1 131 131 VAL H H 1 7.58 0.02 1 1 . . . . 131 VAL H . 16634 1 248 . 1 1 131 131 VAL N N 15 119.63 0.20 1 1 . . . . 131 VAL N . 16634 1 249 . 1 1 132 132 ALA H H 1 9.73 0.02 1 1 . . . . 132 ALA H . 16634 1 250 . 1 1 132 132 ALA N N 15 135.06 0.20 1 1 . . . . 132 ALA N . 16634 1 251 . 1 1 133 133 GLU H H 1 8.99 0.02 1 1 . . . . 133 GLU H . 16634 1 252 . 1 1 133 133 GLU N N 15 118.07 0.20 1 1 . . . . 133 GLU N . 16634 1 253 . 1 1 134 134 GLY H H 1 7.23 0.02 1 1 . . . . 134 GLY H . 16634 1 254 . 1 1 134 134 GLY N N 15 100.07 0.20 1 1 . . . . 134 GLY N . 16634 1 255 . 1 1 135 135 VAL H H 1 8.06 0.02 1 1 . . . . 135 VAL H . 16634 1 256 . 1 1 135 135 VAL N N 15 122.51 0.20 1 1 . . . . 135 VAL N . 16634 1 257 . 1 1 136 136 VAL H H 1 8.28 0.02 1 1 . . . . 136 VAL H . 16634 1 258 . 1 1 136 136 VAL N N 15 126.47 0.20 1 1 . . . . 136 VAL N . 16634 1 259 . 1 1 137 137 VAL H H 1 9.37 0.02 1 1 . . . . 137 VAL H . 16634 1 260 . 1 1 137 137 VAL N N 15 118.76 0.20 1 1 . . . . 137 VAL N . 16634 1 261 . 1 1 138 138 HIS H H 1 8.66 0.02 1 1 . . . . 138 HIS H . 16634 1 262 . 1 1 138 138 HIS N N 15 120.69 0.20 1 1 . . . . 138 HIS N . 16634 1 263 . 1 1 139 139 ASN H H 1 7.82 0.02 1 1 . . . . 139 ASN H . 16634 1 264 . 1 1 139 139 ASN N N 15 126.26 0.20 1 1 . . . . 139 ASN N . 16634 1 stop_ save_