################################### # 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 51645 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Full-length NaK' _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-13C HMQC' . . . 51645 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51645 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 24 24 LYS H H 1 7.585 . . 1 . . 221 . . 20 LYS H . 51645 1 2 . 1 . 1 24 24 LYS N N 15 118.490 . . 1 . . 222 . . 20 LYS N . 51645 1 3 . 1 . 1 26 26 LYS H H 1 8.618 . . 1 . . 235 . . 22 LYS H . 51645 1 4 . 1 . 1 26 26 LYS N N 15 127.815 . . 1 . . 236 . . 22 LYS N . 51645 1 5 . 1 . 1 30 30 VAL HG11 H 1 0.938 0.003 . 1 . . 125 . . 26 VAL HG11 . 51645 1 6 . 1 . 1 30 30 VAL HG12 H 1 0.938 0.003 . 1 . . 125 . . 26 VAL HG12 . 51645 1 7 . 1 . 1 30 30 VAL HG13 H 1 0.938 0.003 . 1 . . 125 . . 26 VAL HG13 . 51645 1 8 . 1 . 1 30 30 VAL HG21 H 1 1.084 0.004 . 1 . . 131 . . 26 VAL HG21 . 51645 1 9 . 1 . 1 30 30 VAL HG22 H 1 1.084 0.004 . 1 . . 131 . . 26 VAL HG22 . 51645 1 10 . 1 . 1 30 30 VAL HG23 H 1 1.084 0.004 . 1 . . 131 . . 26 VAL HG23 . 51645 1 11 . 1 . 1 30 30 VAL CG1 C 13 21.609 0.03 . 1 . . 126 . . 26 VAL CG1 . 51645 1 12 . 1 . 1 30 30 VAL CG2 C 13 22.959 0.017 . 1 . . 132 . . 26 VAL CG2 . 51645 1 13 . 1 . 1 31 31 LEU HD11 H 1 0.892 . . 1 . . 172 . . 27 LEU HD11 . 51645 1 14 . 1 . 1 31 31 LEU HD12 H 1 0.892 . . 1 . . 172 . . 27 LEU HD12 . 51645 1 15 . 1 . 1 31 31 LEU HD13 H 1 0.892 . . 1 . . 172 . . 27 LEU HD13 . 51645 1 16 . 1 . 1 31 31 LEU HD21 H 1 0.940 0.003 . 1 . . 187 . . 27 LEU HD21 . 51645 1 17 . 1 . 1 31 31 LEU HD22 H 1 0.940 0.003 . 1 . . 187 . . 27 LEU HD22 . 51645 1 18 . 1 . 1 31 31 LEU HD23 H 1 0.940 0.003 . 1 . . 187 . . 27 LEU HD23 . 51645 1 19 . 1 . 1 31 31 LEU CD1 C 13 25.253 0.068 . 1 . . 171 . . 27 LEU CD1 . 51645 1 20 . 1 . 1 31 31 LEU CD2 C 13 22.934 0.041 . 1 . . 188 . . 27 LEU CD2 . 51645 1 21 . 1 . 1 33 33 VAL HG11 H 1 0.857 0.007 . 1 . . 163 . . 29 VAL HG11 . 51645 1 22 . 1 . 1 33 33 VAL HG12 H 1 0.857 0.007 . 1 . . 163 . . 29 VAL HG12 . 51645 1 23 . 1 . 1 33 33 VAL HG13 H 1 0.857 0.007 . 1 . . 163 . . 29 VAL HG13 . 51645 1 24 . 1 . 1 33 33 VAL HG21 H 1 1.214 0.009 . 1 . . 133 . . 29 VAL HG21 . 51645 1 25 . 1 . 1 33 33 VAL HG22 H 1 1.214 0.009 . 1 . . 133 . . 29 VAL HG22 . 51645 1 26 . 1 . 1 33 33 VAL HG23 H 1 1.214 0.009 . 1 . . 133 . . 29 VAL HG23 . 51645 1 27 . 1 . 1 33 33 VAL CG1 C 13 21.482 0.025 . 1 . . 164 . . 29 VAL CG1 . 51645 1 28 . 1 . 1 33 33 VAL CG2 C 13 23.408 0.023 . 1 . . 134 . . 29 VAL CG2 . 51645 1 29 . 1 . 1 34 34 LEU H H 1 8.715 . . 1 . . 247 . . 30 LEU H . 51645 1 30 . 1 . 1 34 34 LEU HD11 H 1 0.844 0.004 . 1 . . 185 . . 30 LEU HD11 . 51645 1 31 . 1 . 1 34 34 LEU HD12 H 1 0.844 0.004 . 1 . . 185 . . 30 LEU HD12 . 51645 1 32 . 1 . 1 34 34 LEU HD13 H 1 0.844 0.004 . 1 . . 185 . . 30 LEU HD13 . 51645 1 33 . 1 . 1 34 34 LEU HD21 H 1 0.805 . . 1 . . 196 . . 30 LEU HD21 . 51645 1 34 . 1 . 1 34 34 LEU HD22 H 1 0.805 . . 1 . . 196 . . 30 LEU HD22 . 51645 1 35 . 1 . 1 34 34 LEU HD23 H 1 0.805 . . 1 . . 196 . . 30 LEU HD23 . 51645 1 36 . 1 . 1 34 34 LEU CD1 C 13 25.874 0.033 . 1 . . 186 . . 30 LEU CD1 . 51645 1 37 . 1 . 1 34 34 LEU CD2 C 13 22.359 . . 1 . . 195 . . 30 LEU CD2 . 51645 1 38 . 1 . 1 34 34 LEU N N 15 118.049 . . 1 . . 248 . . 30 LEU N . 51645 1 39 . 1 . 1 36 36 ILE HD11 H 1 0.181 0.004 . 1 . . 97 . . 32 ILE HD11 . 51645 1 40 . 1 . 1 36 36 ILE HD12 H 1 0.181 0.004 . 1 . . 97 . . 32 ILE HD12 . 51645 1 41 . 1 . 1 36 36 ILE HD13 H 1 0.181 0.004 . 1 . . 97 . . 32 ILE HD13 . 51645 1 42 . 1 . 1 36 36 ILE CD1 C 13 10.590 0.022 . 1 . . 98 . . 32 ILE CD1 . 51645 1 43 . 1 . 1 37 37 LEU HD11 H 1 0.793 . . 1 . . 200 . . 33 LEU HD11 . 51645 1 44 . 1 . 1 37 37 LEU HD12 H 1 0.793 . . 1 . . 200 . . 33 LEU HD12 . 51645 1 45 . 1 . 1 37 37 LEU HD13 H 1 0.793 . . 1 . . 200 . . 33 LEU HD13 . 51645 1 46 . 1 . 1 37 37 LEU HD21 H 1 0.716 0.001 . 1 . . 198 . . 33 LEU HD21 . 51645 1 47 . 1 . 1 37 37 LEU HD22 H 1 0.716 0.001 . 1 . . 198 . . 33 LEU HD22 . 51645 1 48 . 1 . 1 37 37 LEU HD23 H 1 0.716 0.001 . 1 . . 198 . . 33 LEU HD23 . 51645 1 49 . 1 . 1 37 37 LEU CD1 C 13 25.124 . . 1 . . 199 . . 33 LEU CD1 . 51645 1 50 . 1 . 1 37 37 LEU CD2 C 13 22.863 0.019 . 1 . . 197 . . 33 LEU CD2 . 51645 1 51 . 1 . 1 39 39 LEU HD11 H 1 0.736 0.002 . 1 . . 167 . . 35 LEU HD11 . 51645 1 52 . 1 . 1 39 39 LEU HD12 H 1 0.736 0.002 . 1 . . 167 . . 35 LEU HD12 . 51645 1 53 . 1 . 1 39 39 LEU HD13 H 1 0.736 0.002 . 1 . . 167 . . 35 LEU HD13 . 51645 1 54 . 1 . 1 39 39 LEU HD21 H 1 0.876 0.003 . 1 . . 145 . . 35 LEU HD21 . 51645 1 55 . 1 . 1 39 39 LEU HD22 H 1 0.876 0.003 . 1 . . 145 . . 35 LEU HD22 . 51645 1 56 . 1 . 1 39 39 LEU HD23 H 1 0.876 0.003 . 1 . . 145 . . 35 LEU HD23 . 51645 1 57 . 1 . 1 39 39 LEU CD1 C 13 25.650 0.021 . 1 . . 168 . . 35 LEU CD1 . 51645 1 58 . 1 . 1 39 39 LEU CD2 C 13 22.431 0.031 . 1 . . 146 . . 35 LEU CD2 . 51645 1 59 . 1 . 1 40 40 ILE HD11 H 1 0.735 0.002 . 1 . . 105 . . 36 ILE HD11 . 51645 1 60 . 1 . 1 40 40 ILE HD12 H 1 0.735 0.002 . 1 . . 105 . . 36 ILE HD12 . 51645 1 61 . 1 . 1 40 40 ILE HD13 H 1 0.735 0.002 . 1 . . 105 . . 36 ILE HD13 . 51645 1 62 . 1 . 1 40 40 ILE CD1 C 13 13.234 0.049 . 1 . . 106 . . 36 ILE CD1 . 51645 1 63 . 1 . 1 44 44 ILE HD11 H 1 0.778 . . 1 . . 109 . . 40 ILE HD11 . 51645 1 64 . 1 . 1 44 44 ILE HD12 H 1 0.778 . . 1 . . 109 . . 40 ILE HD12 . 51645 1 65 . 1 . 1 44 44 ILE HD13 H 1 0.778 . . 1 . . 109 . . 40 ILE HD13 . 51645 1 66 . 1 . 1 44 44 ILE CD1 C 13 13.846 . . 1 . . 110 . . 40 ILE CD1 . 51645 1 67 . 1 . 1 49 49 VAL HG11 H 1 0.701 0.007 . 1 . . 119 . . 45 VAL HG11 . 51645 1 68 . 1 . 1 49 49 VAL HG12 H 1 0.701 0.007 . 1 . . 119 . . 45 VAL HG12 . 51645 1 69 . 1 . 1 49 49 VAL HG13 H 1 0.701 0.007 . 1 . . 119 . . 45 VAL HG13 . 51645 1 70 . 1 . 1 49 49 VAL HG21 H 1 0.196 0.003 . 1 . . 153 . . 45 VAL HG21 . 51645 1 71 . 1 . 1 49 49 VAL HG22 H 1 0.196 0.003 . 1 . . 153 . . 45 VAL HG22 . 51645 1 72 . 1 . 1 49 49 VAL HG23 H 1 0.196 0.003 . 1 . . 153 . . 45 VAL HG23 . 51645 1 73 . 1 . 1 49 49 VAL CG1 C 13 21.118 0.004 . 1 . . 120 . . 45 VAL CG1 . 51645 1 74 . 1 . 1 49 49 VAL CG2 C 13 22.353 0.006 . 1 . . 154 . . 45 VAL CG2 . 51645 1 75 . 1 . 1 50 50 GLU H H 1 6.442 . . 1 . . 217 . . 46 GLU H . 51645 1 76 . 1 . 1 50 50 GLU N N 15 112.566 . . 1 . . 218 . . 46 GLU N . 51645 1 77 . 1 . 1 51 51 GLY H H 1 6.702 . . 1 . . 219 . . 47 GLY H . 51645 1 78 . 1 . 1 51 51 GLY N N 15 106.217 . . 1 . . 220 . . 47 GLY N . 51645 1 79 . 1 . 1 52 52 LEU H H 1 7.058 . . 1 . . 211 . . 48 LEU H . 51645 1 80 . 1 . 1 52 52 LEU HD11 H 1 0.351 0.002 . 1 . . 155 . . 48 LEU HD11 . 51645 1 81 . 1 . 1 52 52 LEU HD12 H 1 0.351 0.002 . 1 . . 155 . . 48 LEU HD12 . 51645 1 82 . 1 . 1 52 52 LEU HD13 H 1 0.351 0.002 . 1 . . 155 . . 48 LEU HD13 . 51645 1 83 . 1 . 1 52 52 LEU HD21 H 1 0.047 0.003 . 1 . . 149 . . 48 LEU HD21 . 51645 1 84 . 1 . 1 52 52 LEU HD22 H 1 0.047 0.003 . 1 . . 149 . . 48 LEU HD22 . 51645 1 85 . 1 . 1 52 52 LEU HD23 H 1 0.047 0.003 . 1 . . 149 . . 48 LEU HD23 . 51645 1 86 . 1 . 1 52 52 LEU CD1 C 13 21.461 0.001 . 1 . . 156 . . 48 LEU CD1 . 51645 1 87 . 1 . 1 52 52 LEU CD2 C 13 24.371 0.001 . 1 . . 150 . . 48 LEU CD2 . 51645 1 88 . 1 . 1 52 52 LEU N N 15 118.929 . . 1 . . 212 . . 48 LEU N . 51645 1 89 . 1 . 1 53 53 ARG H H 1 9.024 . . 1 . . 239 . . 49 ARG H . 51645 1 90 . 1 . 1 53 53 ARG N N 15 122.025 . . 1 . . 240 . . 49 ARG N . 51645 1 91 . 1 . 1 55 55 ILE H H 1 8.615 . . 1 . . 209 . . 51 ILE H . 51645 1 92 . 1 . 1 55 55 ILE HD11 H 1 0.976 0.004 . 1 . . 115 . . 51 ILE HD11 . 51645 1 93 . 1 . 1 55 55 ILE HD12 H 1 0.976 0.004 . 1 . . 115 . . 51 ILE HD12 . 51645 1 94 . 1 . 1 55 55 ILE HD13 H 1 0.976 0.004 . 1 . . 115 . . 51 ILE HD13 . 51645 1 95 . 1 . 1 55 55 ILE CD1 C 13 13.734 0.021 . 1 . . 116 . . 51 ILE CD1 . 51645 1 96 . 1 . 1 55 55 ILE N N 15 114.700 . . 1 . . 210 . . 51 ILE N . 51645 1 97 . 1 . 1 56 56 ASP H H 1 6.744 . . 1 . . 213 . . 52 ASP H . 51645 1 98 . 1 . 1 56 56 ASP N N 15 123.280 . . 1 . . 214 . . 52 ASP N . 51645 1 99 . 1 . 1 58 58 LEU HD11 H 1 0.910 0.002 . 1 . . 143 . . 54 LEU HD11 . 51645 1 100 . 1 . 1 58 58 LEU HD12 H 1 0.910 0.002 . 1 . . 143 . . 54 LEU HD12 . 51645 1 101 . 1 . 1 58 58 LEU HD13 H 1 0.910 0.002 . 1 . . 143 . . 54 LEU HD13 . 51645 1 102 . 1 . 1 58 58 LEU HD21 H 1 0.876 0.002 . 1 . . 173 . . 54 LEU HD21 . 51645 1 103 . 1 . 1 58 58 LEU HD22 H 1 0.876 0.002 . 1 . . 173 . . 54 LEU HD22 . 51645 1 104 . 1 . 1 58 58 LEU HD23 H 1 0.876 0.002 . 1 . . 173 . . 54 LEU HD23 . 51645 1 105 . 1 . 1 58 58 LEU CD1 C 13 22.563 0.022 . 1 . . 144 . . 54 LEU CD1 . 51645 1 106 . 1 . 1 58 58 LEU CD2 C 13 26.413 0.022 . 1 . . 174 . . 54 LEU CD2 . 51645 1 107 . 1 . 1 62 62 VAL HG11 H 1 0.776 0.001 . 1 . . 121 . . 58 VAL HG11 . 51645 1 108 . 1 . 1 62 62 VAL HG12 H 1 0.776 0.001 . 1 . . 121 . . 58 VAL HG12 . 51645 1 109 . 1 . 1 62 62 VAL HG13 H 1 0.776 0.001 . 1 . . 121 . . 58 VAL HG13 . 51645 1 110 . 1 . 1 62 62 VAL HG21 H 1 1.183 0.005 . 1 . . 135 . . 58 VAL HG21 . 51645 1 111 . 1 . 1 62 62 VAL HG22 H 1 1.183 0.005 . 1 . . 135 . . 58 VAL HG22 . 51645 1 112 . 1 . 1 62 62 VAL HG23 H 1 1.183 0.005 . 1 . . 135 . . 58 VAL HG23 . 51645 1 113 . 1 . 1 62 62 VAL CG1 C 13 21.060 0.02 . 1 . . 122 . . 58 VAL CG1 . 51645 1 114 . 1 . 1 62 62 VAL CG2 C 13 24.026 0.027 . 1 . . 136 . . 58 VAL CG2 . 51645 1 115 . 1 . 1 63 63 VAL HG11 H 1 0.357 0.002 . 1 . . 204 . . 59 VAL HG11 . 51645 1 116 . 1 . 1 63 63 VAL HG12 H 1 0.357 0.002 . 1 . . 204 . . 59 VAL HG12 . 51645 1 117 . 1 . 1 63 63 VAL HG13 H 1 0.357 0.002 . 1 . . 204 . . 59 VAL HG13 . 51645 1 118 . 1 . 1 63 63 VAL HG21 H 1 0.755 0.006 . 1 . . 202 . . 59 VAL HG21 . 51645 1 119 . 1 . 1 63 63 VAL HG22 H 1 0.755 0.006 . 1 . . 202 . . 59 VAL HG22 . 51645 1 120 . 1 . 1 63 63 VAL HG23 H 1 0.755 0.006 . 1 . . 202 . . 59 VAL HG23 . 51645 1 121 . 1 . 1 63 63 VAL CG1 C 13 20.114 0.01 . 1 . . 203 . . 59 VAL CG1 . 51645 1 122 . 1 . 1 63 63 VAL CG2 C 13 18.663 0.015 . 1 . . 201 . . 59 VAL CG2 . 51645 1 123 . 1 . 1 65 65 LEU HD11 H 1 0.368 0.002 . 1 . . 147 . . 61 LEU HD11 . 51645 1 124 . 1 . 1 65 65 LEU HD12 H 1 0.368 0.002 . 1 . . 147 . . 61 LEU HD12 . 51645 1 125 . 1 . 1 65 65 LEU HD13 H 1 0.368 0.002 . 1 . . 147 . . 61 LEU HD13 . 51645 1 126 . 1 . 1 65 65 LEU HD21 H 1 0.198 0.006 . 1 . . 151 . . 61 LEU HD21 . 51645 1 127 . 1 . 1 65 65 LEU HD22 H 1 0.198 0.006 . 1 . . 151 . . 61 LEU HD22 . 51645 1 128 . 1 . 1 65 65 LEU HD23 H 1 0.198 0.006 . 1 . . 151 . . 61 LEU HD23 . 51645 1 129 . 1 . 1 65 65 LEU CD1 C 13 25.942 0.018 . 1 . . 148 . . 61 LEU CD1 . 51645 1 130 . 1 . 1 65 65 LEU CD2 C 13 22.654 0.027 . 1 . . 152 . . 61 LEU CD2 . 51645 1 131 . 1 . 1 68 68 VAL HG11 H 1 1.023 0.004 . 1 . . 127 . . 64 VAL HG11 . 51645 1 132 . 1 . 1 68 68 VAL HG12 H 1 1.023 0.004 . 1 . . 127 . . 64 VAL HG12 . 51645 1 133 . 1 . 1 68 68 VAL HG13 H 1 1.023 0.004 . 1 . . 127 . . 64 VAL HG13 . 51645 1 134 . 1 . 1 68 68 VAL HG21 H 1 1.056 0.003 . 1 . . 129 . . 64 VAL HG21 . 51645 1 135 . 1 . 1 68 68 VAL HG22 H 1 1.056 0.003 . 1 . . 129 . . 64 VAL HG22 . 51645 1 136 . 1 . 1 68 68 VAL HG23 H 1 1.056 0.003 . 1 . . 129 . . 64 VAL HG23 . 51645 1 137 . 1 . 1 68 68 VAL CG1 C 13 21.906 0.031 . 1 . . 128 . . 64 VAL CG1 . 51645 1 138 . 1 . 1 68 68 VAL CG2 C 13 22.352 0.014 . 1 . . 130 . . 64 VAL CG2 . 51645 1 139 . 1 . 1 71 71 GLY H H 1 8.771 . . 1 . . 229 . . 67 GLY H . 51645 1 140 . 1 . 1 71 71 GLY N N 15 112.967 . . 1 . . 230 . . 67 GLY N . 51645 1 141 . 1 . 1 72 72 ASN H H 1 8.771 . . 1 . . 245 . . 68 ASN H . 51645 1 142 . 1 . 1 72 72 ASN N N 15 117.425 . . 1 . . 246 . . 68 ASN N . 51645 1 143 . 1 . 1 74 74 SER H H 1 6.485 . . 1 . . 215 . . 70 SER H . 51645 1 144 . 1 . 1 74 74 SER N N 15 118.517 . . 1 . . 216 . . 70 SER N . 51645 1 145 . 1 . 1 76 76 GLN H H 1 10.225 . . 1 . . 249 . . 72 GLN H . 51645 1 146 . 1 . 1 76 76 GLN N N 15 121.796 . . 1 . . 250 . . 72 GLN N . 51645 1 147 . 1 . 1 77 77 THR H H 1 9.591 . . 1 . . 227 . . 73 THR H . 51645 1 148 . 1 . 1 77 77 THR N N 15 115.805 . . 1 . . 228 . . 73 THR N . 51645 1 149 . 1 . 1 78 78 ASP H H 1 9.044 . . 1 . . 237 . . 74 ASP H . 51645 1 150 . 1 . 1 78 78 ASP N N 15 125.587 . . 1 . . 238 . . 74 ASP N . 51645 1 151 . 1 . 1 79 79 PHE H H 1 8.832 . . 1 . . 243 . . 75 PHE H . 51645 1 152 . 1 . 1 79 79 PHE N N 15 119.076 . . 1 . . 244 . . 75 PHE N . 51645 1 153 . 1 . 1 80 80 GLY H H 1 8.985 . . 1 . . 225 . . 76 GLY H . 51645 1 154 . 1 . 1 80 80 GLY N N 15 108.543 . . 1 . . 226 . . 76 GLY N . 51645 1 155 . 1 . 1 81 81 LYS H H 1 8.583 . . 1 . . 233 . . 77 LYS H . 51645 1 156 . 1 . 1 81 81 LYS N N 15 127.163 . . 1 . . 234 . . 77 LYS N . 51645 1 157 . 1 . 1 82 82 ILE HD11 H 1 0.871 0.003 . 1 . . 117 . . 78 ILE HD11 . 51645 1 158 . 1 . 1 82 82 ILE HD12 H 1 0.871 0.003 . 1 . . 117 . . 78 ILE HD12 . 51645 1 159 . 1 . 1 82 82 ILE HD13 H 1 0.871 0.003 . 1 . . 117 . . 78 ILE HD13 . 51645 1 160 . 1 . 1 82 82 ILE CD1 C 13 12.117 0.017 . 1 . . 118 . . 78 ILE CD1 . 51645 1 161 . 1 . 1 85 85 ILE HD11 H 1 0.943 0.003 . 1 . . 113 . . 81 ILE HD11 . 51645 1 162 . 1 . 1 85 85 ILE HD12 H 1 0.943 0.003 . 1 . . 113 . . 81 ILE HD12 . 51645 1 163 . 1 . 1 85 85 ILE HD13 H 1 0.943 0.003 . 1 . . 113 . . 81 ILE HD13 . 51645 1 164 . 1 . 1 85 85 ILE CD1 C 13 13.808 0.017 . 1 . . 114 . . 81 ILE CD1 . 51645 1 165 . 1 . 1 86 86 LEU HD11 H 1 0.828 0.003 . 1 . . 139 . . 82 LEU HD11 . 51645 1 166 . 1 . 1 86 86 LEU HD12 H 1 0.828 0.003 . 1 . . 139 . . 82 LEU HD12 . 51645 1 167 . 1 . 1 86 86 LEU HD13 H 1 0.828 0.003 . 1 . . 139 . . 82 LEU HD13 . 51645 1 168 . 1 . 1 86 86 LEU HD21 H 1 0.791 0.002 . 1 . . 159 . . 82 LEU HD21 . 51645 1 169 . 1 . 1 86 86 LEU HD22 H 1 0.791 0.002 . 1 . . 159 . . 82 LEU HD22 . 51645 1 170 . 1 . 1 86 86 LEU HD23 H 1 0.791 0.002 . 1 . . 159 . . 82 LEU HD23 . 51645 1 171 . 1 . 1 86 86 LEU CD1 C 13 25.240 0.022 . 1 . . 140 . . 82 LEU CD1 . 51645 1 172 . 1 . 1 86 86 LEU CD2 C 13 23.265 0.015 . 1 . . 160 . . 82 LEU CD2 . 51645 1 173 . 1 . 1 88 88 ILE HD11 H 1 0.607 0.002 . 1 . . 103 . . 84 ILE HD11 . 51645 1 174 . 1 . 1 88 88 ILE HD12 H 1 0.607 0.002 . 1 . . 103 . . 84 ILE HD12 . 51645 1 175 . 1 . 1 88 88 ILE HD13 H 1 0.607 0.002 . 1 . . 103 . . 84 ILE HD13 . 51645 1 176 . 1 . 1 88 88 ILE CD1 C 13 15.037 0.019 . 1 . . 104 . . 84 ILE CD1 . 51645 1 177 . 1 . 1 90 90 ILE HD11 H 1 0.764 0.003 . 1 . . 107 . . 86 ILE HD11 . 51645 1 178 . 1 . 1 90 90 ILE HD12 H 1 0.764 0.003 . 1 . . 107 . . 86 ILE HD12 . 51645 1 179 . 1 . 1 90 90 ILE HD13 H 1 0.764 0.003 . 1 . . 107 . . 86 ILE HD13 . 51645 1 180 . 1 . 1 90 90 ILE CD1 C 13 13.149 0.025 . 1 . . 108 . . 86 ILE CD1 . 51645 1 181 . 1 . 1 92 92 ILE HD11 H 1 0.568 0.002 . 1 . . 101 . . 88 ILE HD11 . 51645 1 182 . 1 . 1 92 92 ILE HD12 H 1 0.568 0.002 . 1 . . 101 . . 88 ILE HD12 . 51645 1 183 . 1 . 1 92 92 ILE HD13 H 1 0.568 0.002 . 1 . . 101 . . 88 ILE HD13 . 51645 1 184 . 1 . 1 92 92 ILE CD1 C 13 14.508 0.023 . 1 . . 102 . . 88 ILE CD1 . 51645 1 185 . 1 . 1 94 94 LEU HD11 H 1 0.716 0.003 . 1 . . 176 . . 90 LEU HD11 . 51645 1 186 . 1 . 1 94 94 LEU HD12 H 1 0.716 0.003 . 1 . . 176 . . 90 LEU HD12 . 51645 1 187 . 1 . 1 94 94 LEU HD13 H 1 0.716 0.003 . 1 . . 176 . . 90 LEU HD13 . 51645 1 188 . 1 . 1 94 94 LEU HD21 H 1 0.836 0.005 . 1 . . 169 . . 90 LEU HD21 . 51645 1 189 . 1 . 1 94 94 LEU HD22 H 1 0.836 0.005 . 1 . . 169 . . 90 LEU HD22 . 51645 1 190 . 1 . 1 94 94 LEU HD23 H 1 0.836 0.005 . 1 . . 169 . . 90 LEU HD23 . 51645 1 191 . 1 . 1 94 94 LEU CD1 C 13 23.774 0.028 . 1 . . 177 . . 90 LEU CD1 . 51645 1 192 . 1 . 1 94 94 LEU CD2 C 13 25.557 0.019 . 1 . . 170 . . 90 LEU CD2 . 51645 1 193 . 1 . 1 95 95 VAL HG11 H 1 0.762 0.004 . 1 . . 157 . . 91 VAL HG11 . 51645 1 194 . 1 . 1 95 95 VAL HG12 H 1 0.762 0.004 . 1 . . 157 . . 91 VAL HG12 . 51645 1 195 . 1 . 1 95 95 VAL HG13 H 1 0.762 0.004 . 1 . . 157 . . 91 VAL HG13 . 51645 1 196 . 1 . 1 95 95 VAL HG21 H 1 1.013 0.003 . 1 . . 141 . . 91 VAL HG21 . 51645 1 197 . 1 . 1 95 95 VAL HG22 H 1 1.013 0.003 . 1 . . 141 . . 91 VAL HG22 . 51645 1 198 . 1 . 1 95 95 VAL HG23 H 1 1.013 0.003 . 1 . . 141 . . 91 VAL HG23 . 51645 1 199 . 1 . 1 95 95 VAL CG1 C 13 21.796 0.061 . 1 . . 158 . . 91 VAL CG1 . 51645 1 200 . 1 . 1 95 95 VAL CG2 C 13 23.850 0.037 . 1 . . 142 . . 91 VAL CG2 . 51645 1 201 . 1 . 1 97 97 GLY H H 1 7.971 . . 1 . . 223 . . 93 GLY H . 51645 1 202 . 1 . 1 97 97 GLY N N 15 109.122 . . 1 . . 224 . . 93 GLY N . 51645 1 203 . 1 . 1 99 99 ILE H H 1 8.675 . . 1 . . 241 . . 95 ILE H . 51645 1 204 . 1 . 1 99 99 ILE HD11 H 1 0.322 0.003 . 1 . . 99 . . 95 ILE HD11 . 51645 1 205 . 1 . 1 99 99 ILE HD12 H 1 0.322 0.003 . 1 . . 99 . . 95 ILE HD12 . 51645 1 206 . 1 . 1 99 99 ILE HD13 H 1 0.322 0.003 . 1 . . 99 . . 95 ILE HD13 . 51645 1 207 . 1 . 1 99 99 ILE CD1 C 13 12.886 0.035 . 1 . . 100 . . 95 ILE CD1 . 51645 1 208 . 1 . 1 99 99 ILE N N 15 120.459 . . 1 . . 242 . . 95 ILE N . 51645 1 209 . 1 . 1 102 102 LEU HD11 H 1 0.717 0.001 . 1 . . 182 . . 98 LEU HD11 . 51645 1 210 . 1 . 1 102 102 LEU HD12 H 1 0.717 0.001 . 1 . . 182 . . 98 LEU HD12 . 51645 1 211 . 1 . 1 102 102 LEU HD13 H 1 0.717 0.001 . 1 . . 182 . . 98 LEU HD13 . 51645 1 212 . 1 . 1 102 102 LEU HD21 H 1 0.787 0.002 . 1 . . 183 . . 98 LEU HD21 . 51645 1 213 . 1 . 1 102 102 LEU HD22 H 1 0.787 0.002 . 1 . . 183 . . 98 LEU HD22 . 51645 1 214 . 1 . 1 102 102 LEU HD23 H 1 0.787 0.002 . 1 . . 183 . . 98 LEU HD23 . 51645 1 215 . 1 . 1 102 102 LEU CD1 C 13 24.823 0.026 . 1 . . 175 . . 98 LEU CD1 . 51645 1 216 . 1 . 1 102 102 LEU CD2 C 13 24.027 0.053 . 1 . . 184 . . 98 LEU CD2 . 51645 1 217 . 1 . 1 104 104 VAL HG11 H 1 0.778 0.006 . 1 . . 123 . . 100 VAL HG11 . 51645 1 218 . 1 . 1 104 104 VAL HG12 H 1 0.778 0.006 . 1 . . 123 . . 100 VAL HG12 . 51645 1 219 . 1 . 1 104 104 VAL HG13 H 1 0.778 0.006 . 1 . . 123 . . 100 VAL HG13 . 51645 1 220 . 1 . 1 104 104 VAL CG1 C 13 20.691 0.011 . 1 . . 124 . . 100 VAL CG1 . 51645 1 221 . 1 . 1 106 106 VAL HG11 H 1 0.827 0.002 . 1 . . 189 . . 102 VAL HG11 . 51645 1 222 . 1 . 1 106 106 VAL HG12 H 1 0.827 0.002 . 1 . . 189 . . 102 VAL HG12 . 51645 1 223 . 1 . 1 106 106 VAL HG13 H 1 0.827 0.002 . 1 . . 189 . . 102 VAL HG13 . 51645 1 224 . 1 . 1 106 106 VAL CG1 C 13 21.474 0.018 . 1 . . 190 . . 102 VAL CG1 . 51645 1 225 . 1 . 1 108 108 LEU H H 1 8.199 . . 1 . . 231 . . 104 LEU H . 51645 1 226 . 1 . 1 108 108 LEU HD11 H 1 0.876 0.003 . 1 . . 193 . . 104 LEU HD11 . 51645 1 227 . 1 . 1 108 108 LEU HD12 H 1 0.876 0.003 . 1 . . 193 . . 104 LEU HD12 . 51645 1 228 . 1 . 1 108 108 LEU HD13 H 1 0.876 0.003 . 1 . . 193 . . 104 LEU HD13 . 51645 1 229 . 1 . 1 108 108 LEU HD21 H 1 0.868 0.003 . 1 . . 191 . . 104 LEU HD21 . 51645 1 230 . 1 . 1 108 108 LEU HD22 H 1 0.868 0.003 . 1 . . 191 . . 104 LEU HD22 . 51645 1 231 . 1 . 1 108 108 LEU HD23 H 1 0.868 0.003 . 1 . . 191 . . 104 LEU HD23 . 51645 1 232 . 1 . 1 108 108 LEU CD1 C 13 24.739 0.038 . 1 . . 194 . . 104 LEU CD1 . 51645 1 233 . 1 . 1 108 108 LEU CD2 C 13 23.821 0.026 . 1 . . 192 . . 104 LEU CD2 . 51645 1 234 . 1 . 1 108 108 LEU N N 15 120.396 . . 1 . . 232 . . 104 LEU N . 51645 1 235 . 1 . 1 111 111 ILE HD11 H 1 0.774 0.002 . 1 . . 111 . . 107 ILE HD11 . 51645 1 236 . 1 . 1 111 111 ILE HD12 H 1 0.774 0.002 . 1 . . 111 . . 107 ILE HD12 . 51645 1 237 . 1 . 1 111 111 ILE HD13 H 1 0.774 0.002 . 1 . . 111 . . 107 ILE HD13 . 51645 1 238 . 1 . 1 111 111 ILE CD1 C 13 13.661 0.017 . 1 . . 112 . . 107 ILE CD1 . 51645 1 239 . 1 . 1 112 112 LEU HD11 H 1 0.843 0.003 . 1 . . 161 . . 108 LEU HD11 . 51645 1 240 . 1 . 1 112 112 LEU HD12 H 1 0.843 0.003 . 1 . . 161 . . 108 LEU HD12 . 51645 1 241 . 1 . 1 112 112 LEU HD13 H 1 0.843 0.003 . 1 . . 161 . . 108 LEU HD13 . 51645 1 242 . 1 . 1 112 112 LEU HD21 H 1 0.888 0.004 . 1 . . 137 . . 108 LEU HD21 . 51645 1 243 . 1 . 1 112 112 LEU HD22 H 1 0.888 0.004 . 1 . . 137 . . 108 LEU HD22 . 51645 1 244 . 1 . 1 112 112 LEU HD23 H 1 0.888 0.004 . 1 . . 137 . . 108 LEU HD23 . 51645 1 245 . 1 . 1 112 112 LEU CD1 C 13 22.960 0.019 . 1 . . 162 . . 108 LEU CD1 . 51645 1 246 . 1 . 1 112 112 LEU CD2 C 13 25.340 0.012 . 1 . . 138 . . 108 LEU CD2 . 51645 1 stop_ save_