################################### # 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 18499 _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 0.02 _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 3 '2D 1H-1H NOESY' . . . 18499 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 1 1 ASP HA H 1 4.222 0.02 . 1 . . . A 170 ASP HA . 18499 1 2 . 1 1 1 1 ASP HB2 H 1 2.513 0.02 . 2 . . . A 170 ASP HB2 . 18499 1 3 . 1 1 1 1 ASP HB3 H 1 2.376 0.02 . 2 . . . A 170 ASP HB3 . 18499 1 4 . 1 1 1 1 ASP H H 1 7.934 0.02 . 1 . . . A 170 ASP H1 . 18499 1 5 . 1 1 2 2 VAL H H 1 7.178 0.02 . 1 . . . A 171 VAL H . 18499 1 6 . 1 1 2 2 VAL HA H 1 4.021 0.02 . 1 . . . A 171 VAL HA . 18499 1 7 . 1 1 2 2 VAL HB H 1 1.779 0.02 . 1 . . . A 171 VAL HB . 18499 1 8 . 1 1 2 2 VAL HG11 H 1 0.776 0.02 . 2 . . . A 171 VAL HG11 . 18499 1 9 . 1 1 2 2 VAL HG12 H 1 0.776 0.02 . 2 . . . A 171 VAL HG12 . 18499 1 10 . 1 1 2 2 VAL HG13 H 1 0.776 0.02 . 2 . . . A 171 VAL HG13 . 18499 1 11 . 1 1 2 2 VAL HG21 H 1 0.753 0.004 . 2 . . . A 171 VAL HG21 . 18499 1 12 . 1 1 2 2 VAL HG22 H 1 0.753 0.004 . 2 . . . A 171 VAL HG22 . 18499 1 13 . 1 1 2 2 VAL HG23 H 1 0.753 0.004 . 2 . . . A 171 VAL HG23 . 18499 1 14 . 1 1 3 3 PRO HA H 1 4.134 0.02 . 1 . . . A 172 PRO HA . 18499 1 15 . 1 1 3 3 PRO HB2 H 1 1.764 0.004 . 2 . . . A 172 PRO HB2 . 18499 1 16 . 1 1 3 3 PRO HB3 H 1 1.617 0.004 . 2 . . . A 172 PRO HB3 . 18499 1 17 . 1 1 3 3 PRO HG2 H 1 2.099 0.001 . 2 . . . A 172 PRO HG2 . 18499 1 18 . 1 1 3 3 PRO HD2 H 1 3.797 0.02 . 2 . . . A 172 PRO HD2 . 18499 1 19 . 1 1 3 3 PRO HD3 H 1 3.435 0.02 . 2 . . . A 172 PRO HD3 . 18499 1 20 . 1 1 4 4 LEU H H 1 8.380 0.02 . 1 . . . A 173 LEU H . 18499 1 21 . 1 1 4 4 LEU HA H 1 4.008 0.02 . 1 . . . A 173 LEU HA . 18499 1 22 . 1 1 4 4 LEU HB2 H 1 1.620 0.02 . 2 . . . A 173 LEU HB2 . 18499 1 23 . 1 1 4 4 LEU HB3 H 1 1.555 0.02 . 2 . . . A 173 LEU HB3 . 18499 1 24 . 1 1 4 4 LEU HG H 1 1.285 0.02 . 1 . . . A 173 LEU HG . 18499 1 25 . 1 1 4 4 LEU HD11 H 1 0.907 0.001 . 2 . . . A 173 LEU HD11 . 18499 1 26 . 1 1 4 4 LEU HD12 H 1 0.907 0.001 . 2 . . . A 173 LEU HD12 . 18499 1 27 . 1 1 4 4 LEU HD13 H 1 0.907 0.001 . 2 . . . A 173 LEU HD13 . 18499 1 28 . 1 1 4 4 LEU HD21 H 1 0.667 0.001 . 2 . . . A 173 LEU HD21 . 18499 1 29 . 1 1 4 4 LEU HD22 H 1 0.667 0.001 . 2 . . . A 173 LEU HD22 . 18499 1 30 . 1 1 4 4 LEU HD23 H 1 0.667 0.001 . 2 . . . A 173 LEU HD23 . 18499 1 31 . 1 1 5 5 PRO HA H 1 4.270 0.02 . 1 . . . A 174 PRO HA . 18499 1 32 . 1 1 5 5 PRO HB2 H 1 1.365 0.02 . 2 . . . A 174 PRO HB2 . 18499 1 33 . 1 1 5 5 PRO HB3 H 1 1.292 0.02 . 2 . . . A 174 PRO HB3 . 18499 1 34 . 1 1 5 5 PRO HG2 H 1 1.772 0.02 . 2 . . . A 174 PRO HG2 . 18499 1 35 . 1 1 5 5 PRO HG3 H 1 1.620 0.02 . 2 . . . A 174 PRO HG3 . 18499 1 36 . 1 1 5 5 PRO HD2 H 1 3.147 0.02 . 2 . . . A 174 PRO HD2 . 18499 1 37 . 1 1 5 5 PRO HD3 H 1 2.694 0.001 . 2 . . . A 174 PRO HD3 . 18499 1 38 . 1 1 6 6 ALA H H 1 8.264 0.02 . 1 . . . A 175 ALA H . 18499 1 39 . 1 1 6 6 ALA HA H 1 3.986 0.02 . 1 . . . A 175 ALA HA . 18499 1 40 . 1 1 6 6 ALA HB1 H 1 1.209 0.02 . 1 . . . A 175 ALA HB1 . 18499 1 41 . 1 1 6 6 ALA HB2 H 1 1.209 0.02 . 1 . . . A 175 ALA HB2 . 18499 1 42 . 1 1 6 6 ALA HB3 H 1 1.209 0.02 . 1 . . . A 175 ALA HB3 . 18499 1 43 . 1 1 7 7 GLY H H 1 8.592 0.02 . 1 . . . A 176 GLY H . 18499 1 44 . 1 1 7 7 GLY HA2 H 1 3.389 0.02 . 2 . . . A 176 GLY HA2 . 18499 1 45 . 1 1 8 8 TRP H H 1 7.519 0.02 . 1 . . . A 177 TRP H . 18499 1 46 . 1 1 8 8 TRP HA H 1 5.507 0.02 . 1 . . . A 177 TRP HA . 18499 1 47 . 1 1 8 8 TRP HB2 H 1 3.089 0.001 . 2 . . . A 177 TRP HB2 . 18499 1 48 . 1 1 8 8 TRP HB3 H 1 2.862 0.001 . 2 . . . A 177 TRP HB3 . 18499 1 49 . 1 1 8 8 TRP HD1 H 1 6.869 0.02 . 1 . . . A 177 TRP HD1 . 18499 1 50 . 1 1 8 8 TRP HE1 H 1 10.225 0.02 . 1 . . . A 177 TRP HE1 . 18499 1 51 . 1 1 8 8 TRP HE3 H 1 6.651 0.003 . 1 . . . A 177 TRP HE3 . 18499 1 52 . 1 1 8 8 TRP HZ2 H 1 7.257 0.02 . 1 . . . A 177 TRP HZ2 . 18499 1 53 . 1 1 8 8 TRP HZ3 H 1 6.965 0.003 . 1 . . . A 177 TRP HZ3 . 18499 1 54 . 1 1 8 8 TRP HH2 H 1 7.202 0.003 . 1 . . . A 177 TRP HH2 . 18499 1 55 . 1 1 9 9 GLU H H 1 9.269 0.02 . 1 . . . A 178 GLU H . 18499 1 56 . 1 1 9 9 GLU HA H 1 4.527 0.02 . 1 . . . A 178 GLU HA . 18499 1 57 . 1 1 9 9 GLU HB2 H 1 1.958 0.02 . 2 . . . A 178 GLU HB2 . 18499 1 58 . 1 1 9 9 GLU HB3 H 1 1.855 0.02 . 2 . . . A 178 GLU HB3 . 18499 1 59 . 1 1 9 9 GLU HG2 H 1 2.178 0.02 . 2 . . . A 178 GLU HG2 . 18499 1 60 . 1 1 9 9 GLU HG3 H 1 2.028 0.02 . 2 . . . A 178 GLU HG3 . 18499 1 61 . 1 1 10 10 MET H H 1 8.833 0.02 . 1 . . . A 179 MET H . 18499 1 62 . 1 1 10 10 MET HA H 1 4.228 0.02 . 1 . . . A 179 MET HA . 18499 1 63 . 1 1 10 10 MET HB2 H 1 1.788 0.085 . 2 . . . A 179 MET HB2 . 18499 1 64 . 1 1 10 10 MET HB3 H 1 1.629 0.059 . 2 . . . A 179 MET HB3 . 18499 1 65 . 1 1 10 10 MET HG2 H 1 2.192 0.02 . 2 . . . A 179 MET HG2 . 18499 1 66 . 1 1 11 11 ALA H H 1 8.195 0.02 . 1 . . . A 180 ALA H . 18499 1 67 . 1 1 11 11 ALA HA H 1 4.150 0.02 . 1 . . . A 180 ALA HA . 18499 1 68 . 1 1 11 11 ALA HB1 H 1 0.336 0.02 . 1 . . . A 180 ALA HB1 . 18499 1 69 . 1 1 11 11 ALA HB2 H 1 0.336 0.02 . 1 . . . A 180 ALA HB2 . 18499 1 70 . 1 1 11 11 ALA HB3 H 1 0.336 0.02 . 1 . . . A 180 ALA HB3 . 18499 1 71 . 1 1 12 12 LYS H H 1 7.878 0.02 . 1 . . . A 181 LYS H . 18499 1 72 . 1 1 12 12 LYS HA H 1 5.245 0.007 . 1 . . . A 181 LYS HA . 18499 1 73 . 1 1 12 12 LYS HB2 H 1 1.344 0.006 . 2 . . . A 181 LYS HB2 . 18499 1 74 . 1 1 12 12 LYS HB3 H 1 1.367 0.02 . 2 . . . A 181 LYS HB3 . 18499 1 75 . 1 1 12 12 LYS HG2 H 1 1.424 0.009 . 2 . . . A 181 LYS HG2 . 18499 1 76 . 1 1 12 12 LYS HG3 H 1 0.961 0.02 . 2 . . . A 181 LYS HG3 . 18499 1 77 . 1 1 12 12 LYS HD2 H 1 1.089 0.02 . 2 . . . A 181 LYS HD2 . 18499 1 78 . 1 1 12 12 LYS HD3 H 1 0.963 0.003 . 2 . . . A 181 LYS HD3 . 18499 1 79 . 1 1 12 12 LYS HE2 H 1 2.641 0.02 . 2 . . . A 181 LYS HE2 . 18499 1 80 . 1 1 13 13 THR H H 1 9.008 0.02 . 1 . . . A 182 THR H . 18499 1 81 . 1 1 13 13 THR HA H 1 4.232 0.02 . 1 . . . A 182 THR HA . 18499 1 82 . 1 1 13 13 THR HG1 H 1 4.762 0.02 . 1 . . . A 182 THR HG1 . 18499 1 83 . 1 1 13 13 THR HG21 H 1 1.345 0.02 . 1 . . . A 182 THR HG21 . 18499 1 84 . 1 1 13 13 THR HG22 H 1 1.345 0.02 . 1 . . . A 182 THR HG22 . 18499 1 85 . 1 1 13 13 THR HG23 H 1 1.345 0.02 . 1 . . . A 182 THR HG23 . 18499 1 86 . 1 1 14 14 SER H H 1 8.473 0.02 . 1 . . . A 183 SER H . 18499 1 87 . 1 1 14 14 SER HA H 1 4.065 0.02 . 1 . . . A 183 SER HA . 18499 1 88 . 1 1 14 14 SER HB2 H 1 3.864 0.02 . 2 . . . A 183 SER HB2 . 18499 1 89 . 1 1 14 14 SER HB3 H 1 3.803 0.02 . 2 . . . A 183 SER HB3 . 18499 1 90 . 1 1 15 15 SER H H 1 7.975 0.02 . 1 . . . A 184 SER H . 18499 1 91 . 1 1 15 15 SER HA H 1 4.405 0.02 . 1 . . . A 184 SER HA . 18499 1 92 . 1 1 15 15 SER HB2 H 1 3.896 0.001 . 2 . . . A 184 SER HB2 . 18499 1 93 . 1 1 15 15 SER HB3 H 1 3.654 0.002 . 2 . . . A 184 SER HB3 . 18499 1 94 . 1 1 16 16 GLY H H 1 7.972 0.02 . 1 . . . A 185 GLY H . 18499 1 95 . 1 1 16 16 GLY HA2 H 1 3.382 0.02 . 2 . . . A 185 GLY HA2 . 18499 1 96 . 1 1 17 17 GLN H H 1 7.379 0.02 . 1 . . . A 186 GLN H . 18499 1 97 . 1 1 17 17 GLN HA H 1 4.221 0.02 . 1 . . . A 186 GLN HA . 18499 1 98 . 1 1 17 17 GLN HB2 H 1 2.093 0.001 . 2 . . . A 186 GLN HB2 . 18499 1 99 . 1 1 17 17 GLN HB3 H 1 2.049 0.02 . 2 . . . A 186 GLN HB3 . 18499 1 100 . 1 1 17 17 GLN HG2 H 1 2.191 0.02 . 2 . . . A 186 GLN HG2 . 18499 1 101 . 1 1 17 17 GLN HG3 H 1 2.123 0.02 . 2 . . . A 186 GLN HG3 . 18499 1 102 . 1 1 17 17 GLN HE21 H 1 7.299 0.02 . 2 . . . A 186 GLN HE21 . 18499 1 103 . 1 1 17 17 GLN HE22 H 1 6.446 0.02 . 2 . . . A 186 GLN HE22 . 18499 1 104 . 1 1 18 18 ARG H H 1 8.775 0.02 . 1 . . . A 187 ARG H . 18499 1 105 . 1 1 18 18 ARG HA H 1 4.239 0.002 . 1 . . . A 187 ARG HA . 18499 1 106 . 1 1 18 18 ARG HB2 H 1 1.613 0.004 . 2 . . . A 187 ARG HB2 . 18499 1 107 . 1 1 18 18 ARG HB3 H 1 1.536 0.062 . 2 . . . A 187 ARG HB3 . 18499 1 108 . 1 1 18 18 ARG HG2 H 1 1.463 0.009 . 2 . . . A 187 ARG HG2 . 18499 1 109 . 1 1 18 18 ARG HG3 H 1 1.224 0.02 . 2 . . . A 187 ARG HG3 . 18499 1 110 . 1 1 19 19 TYR H H 1 8.452 0.02 . 1 . . . A 188 TYR H . 18499 1 111 . 1 1 19 19 TYR HA H 1 4.467 0.02 . 1 . . . A 188 TYR HA . 18499 1 112 . 1 1 19 19 TYR HB2 H 1 2.424 0.005 . 2 . . . A 188 TYR HB2 . 18499 1 113 . 1 1 19 19 TYR HB3 H 1 2.152 0.003 . 2 . . . A 188 TYR HB3 . 18499 1 114 . 1 1 19 19 TYR HD2 H 1 6.513 0.02 . 3 . . . A 188 TYR HD2 . 18499 1 115 . 1 1 19 19 TYR HE2 H 1 6.102 0.003 . 3 . . . A 188 TYR HE2 . 18499 1 116 . 1 1 20 20 PHE H H 1 8.695 0.02 . 1 . . . A 189 PHE H . 18499 1 117 . 1 1 20 20 PHE HA H 1 5.102 0.02 . 1 . . . A 189 PHE HA . 18499 1 118 . 1 1 20 20 PHE HB2 H 1 2.975 0.02 . 2 . . . A 189 PHE HB2 . 18499 1 119 . 1 1 20 20 PHE HB3 H 1 2.849 0.002 . 2 . . . A 189 PHE HB3 . 18499 1 120 . 1 1 20 20 PHE HD1 H 1 6.799 0.02 . 3 . . . A 189 PHE HD1 . 18499 1 121 . 1 1 20 20 PHE HE1 H 1 7.005 0.001 . 3 . . . A 189 PHE HE1 . 18499 1 122 . 1 1 20 20 PHE HZ H 1 7.203 0.002 . 1 . . . A 189 PHE HZ . 18499 1 123 . 1 1 21 21 LEU H H 1 9.185 0.001 . 1 . . . A 190 LEU H . 18499 1 124 . 1 1 21 21 LEU HA H 1 4.531 0.02 . 1 . . . A 190 LEU HA . 18499 1 125 . 1 1 21 21 LEU HB2 H 1 1.082 0.02 . 2 . . . A 190 LEU HB2 . 18499 1 126 . 1 1 21 21 LEU HB3 H 1 1.055 0.02 . 2 . . . A 190 LEU HB3 . 18499 1 127 . 1 1 21 21 LEU HG H 1 0.885 0.02 . 1 . . . A 190 LEU HG . 18499 1 128 . 1 1 21 21 LEU HD11 H 1 0.495 0.02 . 2 . . . A 190 LEU HD11 . 18499 1 129 . 1 1 21 21 LEU HD12 H 1 0.495 0.02 . 2 . . . A 190 LEU HD12 . 18499 1 130 . 1 1 21 21 LEU HD13 H 1 0.495 0.02 . 2 . . . A 190 LEU HD13 . 18499 1 131 . 1 1 21 21 LEU HD21 H 1 0.391 0.02 . 2 . . . A 190 LEU HD21 . 18499 1 132 . 1 1 21 21 LEU HD22 H 1 0.391 0.02 . 2 . . . A 190 LEU HD22 . 18499 1 133 . 1 1 21 21 LEU HD23 H 1 0.391 0.02 . 2 . . . A 190 LEU HD23 . 18499 1 134 . 1 1 22 22 ASN H H 1 8.135 0.02 . 1 . . . A 191 ASN H . 18499 1 135 . 1 1 22 22 ASN HA H 1 3.691 0.02 . 1 . . . A 191 ASN HA . 18499 1 136 . 1 1 22 22 ASN HB2 H 1 2.361 0.02 . 2 . . . A 191 ASN HB2 . 18499 1 137 . 1 1 22 22 ASN HB3 H 1 0.019 0.02 . 2 . . . A 191 ASN HB3 . 18499 1 138 . 1 1 22 22 ASN HD21 H 1 6.436 0.02 . 2 . . . A 191 ASN HD21 . 18499 1 139 . 1 1 22 22 ASN HD22 H 1 5.636 0.02 . 2 . . . A 191 ASN HD22 . 18499 1 140 . 1 1 23 23 HIS H H 1 8.502 0.02 . 1 . . . A 192 HIS H . 18499 1 141 . 1 1 23 23 HIS HA H 1 4.076 0.02 . 1 . . . A 192 HIS HA . 18499 1 142 . 1 1 23 23 HIS HB2 H 1 2.859 0.02 . 2 . . . A 192 HIS HB2 . 18499 1 143 . 1 1 23 23 HIS HD1 H 1 6.592 0.02 . 1 . . . A 192 HIS HD1 . 18499 1 144 . 1 1 23 23 HIS HE1 H 1 7.525 0.02 . 1 . . . A 192 HIS HE1 . 18499 1 145 . 1 1 24 24 ILE H H 1 8.024 0.02 . 1 . . . A 193 ILE H . 18499 1 146 . 1 1 24 24 ILE HA H 1 3.611 0.02 . 1 . . . A 193 ILE HA . 18499 1 147 . 1 1 24 24 ILE HB H 1 1.780 0.02 . 1 . . . A 193 ILE HB . 18499 1 148 . 1 1 24 24 ILE HG21 H 1 1.303 0.02 . 1 . . . A 193 ILE HG21 . 18499 1 149 . 1 1 24 24 ILE HG22 H 1 0.969 0.02 . 1 . . . A 193 ILE HG22 . 18499 1 150 . 1 1 24 24 ILE HG23 H 1 0.627 0.02 . 1 . . . A 193 ILE HG23 . 18499 1 151 . 1 1 24 24 ILE HD11 H 1 0.965 0.02 . 1 . . . A 193 ILE HD11 . 18499 1 152 . 1 1 24 24 ILE HD12 H 1 0.965 0.02 . 1 . . . A 193 ILE HD12 . 18499 1 153 . 1 1 24 24 ILE HD13 H 1 0.965 0.02 . 1 . . . A 193 ILE HD13 . 18499 1 154 . 1 1 25 25 ASP H H 1 6.873 0.02 . 1 . . . A 194 ASP H . 18499 1 155 . 1 1 25 25 ASP HA H 1 4.352 0.02 . 1 . . . A 194 ASP HA . 18499 1 156 . 1 1 25 25 ASP HB2 H 1 2.345 0.005 . 2 . . . A 194 ASP HB2 . 18499 1 157 . 1 1 25 25 ASP HB3 H 1 2.188 0.004 . 2 . . . A 194 ASP HB3 . 18499 1 158 . 1 1 26 26 GLN H H 1 7.575 0.02 . 1 . . . A 195 GLN H . 18499 1 159 . 1 1 26 26 GLN HA H 1 3.620 0.001 . 1 . . . A 195 GLN HA . 18499 1 160 . 1 1 26 26 GLN HB2 H 1 1.985 0.004 . 2 . . . A 195 GLN HB2 . 18499 1 161 . 1 1 26 26 GLN HG2 H 1 2.078 0.02 . 2 . . . A 195 GLN HG2 . 18499 1 162 . 1 1 26 26 GLN HE21 H 1 7.380 0.02 . 2 . . . A 195 GLN HE21 . 18499 1 163 . 1 1 26 26 GLN HE22 H 1 6.671 0.02 . 2 . . . A 195 GLN HE22 . 18499 1 164 . 1 1 27 27 THR H H 1 7.632 0.003 . 1 . . . A 196 THR H . 18499 1 165 . 1 1 27 27 THR HA H 1 4.413 0.003 . 1 . . . A 196 THR HA . 18499 1 166 . 1 1 27 27 THR HB H 1 3.930 0.001 . 1 . . . A 196 THR HB . 18499 1 167 . 1 1 27 27 THR HG21 H 1 0.865 0.003 . 1 . . . A 196 THR HG21 . 18499 1 168 . 1 1 27 27 THR HG22 H 1 0.865 0.003 . 1 . . . A 196 THR HG22 . 18499 1 169 . 1 1 27 27 THR HG23 H 1 0.865 0.003 . 1 . . . A 196 THR HG23 . 18499 1 170 . 1 1 28 28 THR H H 1 8.056 0.02 . 1 . . . A 197 THR H . 18499 1 171 . 1 1 28 28 THR HA H 1 5.298 0.02 . 1 . . . A 197 THR HA . 18499 1 172 . 1 1 28 28 THR HB H 1 3.747 0.02 . 1 . . . A 197 THR HB . 18499 1 173 . 1 1 28 28 THR HG21 H 1 0.897 0.02 . 1 . . . A 197 THR HG21 . 18499 1 174 . 1 1 28 28 THR HG22 H 1 0.897 0.02 . 1 . . . A 197 THR HG22 . 18499 1 175 . 1 1 28 28 THR HG23 H 1 0.897 0.02 . 1 . . . A 197 THR HG23 . 18499 1 176 . 1 1 29 29 THR H H 1 9.007 0.02 . 1 . . . A 198 THR H . 18499 1 177 . 1 1 29 29 THR HA H 1 4.633 0.02 . 1 . . . A 198 THR HA . 18499 1 178 . 1 1 29 29 THR HB H 1 4.528 0.02 . 1 . . . A 198 THR HB . 18499 1 179 . 1 1 29 29 THR HG21 H 1 1.361 0.02 . 1 . . . A 198 THR HG21 . 18499 1 180 . 1 1 29 29 THR HG22 H 1 1.361 0.02 . 1 . . . A 198 THR HG22 . 18499 1 181 . 1 1 29 29 THR HG23 H 1 1.361 0.02 . 1 . . . A 198 THR HG23 . 18499 1 182 . 1 1 30 30 TRP H H 1 8.518 0.02 . 1 . . . A 199 TRP H . 18499 1 183 . 1 1 30 30 TRP HA H 1 4.886 0.02 . 1 . . . A 199 TRP HA . 18499 1 184 . 1 1 30 30 TRP HB2 H 1 3.476 0.02 . 2 . . . A 199 TRP HB2 . 18499 1 185 . 1 1 30 30 TRP HB3 H 1 2.987 0.02 . 2 . . . A 199 TRP HB3 . 18499 1 186 . 1 1 30 30 TRP HD1 H 1 7.185 0.008 . 1 . . . A 199 TRP HD1 . 18499 1 187 . 1 1 30 30 TRP HE1 H 1 10.046 0.02 . 1 . . . A 199 TRP HE1 . 18499 1 188 . 1 1 30 30 TRP HE3 H 1 7.953 0.02 . 1 . . . A 199 TRP HE3 . 18499 1 189 . 1 1 30 30 TRP HZ2 H 1 7.146 0.02 . 1 . . . A 199 TRP HZ2 . 18499 1 190 . 1 1 30 30 TRP HZ3 H 1 6.664 0.02 . 1 . . . A 199 TRP HZ3 . 18499 1 191 . 1 1 30 30 TRP HH2 H 1 6.796 0.02 . 1 . . . A 199 TRP HH2 . 18499 1 192 . 1 1 31 31 GLN H H 1 8.453 0.02 . 1 . . . A 200 GLN H . 18499 1 193 . 1 1 31 31 GLN HA H 1 4.017 0.02 . 1 . . . A 200 GLN HA . 18499 1 194 . 1 1 31 31 GLN HB2 H 1 1.893 0.02 . 2 . . . A 200 GLN HB2 . 18499 1 195 . 1 1 31 31 GLN HB3 H 1 1.813 0.02 . 2 . . . A 200 GLN HB3 . 18499 1 196 . 1 1 31 31 GLN HG2 H 1 2.064 0.02 . 2 . . . A 200 GLN HG2 . 18499 1 197 . 1 1 31 31 GLN HG3 H 1 1.954 0.02 . 2 . . . A 200 GLN HG3 . 18499 1 198 . 1 1 31 31 GLN HE21 H 1 7.004 0.02 . 2 . . . A 200 GLN HE21 . 18499 1 199 . 1 1 31 31 GLN HE22 H 1 6.802 0.02 . 2 . . . A 200 GLN HE22 . 18499 1 200 . 1 1 32 32 ASP H H 1 8.083 0.02 . 1 . . . A 201 ASP H . 18499 1 201 . 1 1 32 32 ASP HA H 1 2.364 0.02 . 1 . . . A 201 ASP HA . 18499 1 202 . 1 1 32 32 ASP HB2 H 1 2.061 0.02 . 2 . . . A 201 ASP HB2 . 18499 1 203 . 1 1 32 32 ASP HB3 H 1 1.963 0.02 . 2 . . . A 201 ASP HB3 . 18499 1 204 . 1 1 33 33 PRO HA H 1 3.786 0.003 . 1 . . . A 202 PRO HA . 18499 1 205 . 1 1 33 33 PRO HB2 H 1 0.335 0.007 . 2 . . . A 202 PRO HB2 . 18499 1 206 . 1 1 33 33 PRO HB3 H 1 0.124 0.02 . 2 . . . A 202 PRO HB3 . 18499 1 207 . 1 1 33 33 PRO HG2 H 1 0.647 0.02 . 2 . . . A 202 PRO HG2 . 18499 1 208 . 1 1 33 33 PRO HG3 H 1 0.583 0.001 . 2 . . . A 202 PRO HG3 . 18499 1 209 . 1 1 33 33 PRO HD2 H 1 2.372 0.02 . 2 . . . A 202 PRO HD2 . 18499 1 210 . 1 1 33 33 PRO HD3 H 1 2.249 0.02 . 2 . . . A 202 PRO HD3 . 18499 1 211 . 1 1 34 34 ARG H H 1 8.145 0.02 . 1 . . . A 203 ARG H . 18499 1 212 . 1 1 34 34 ARG HA H 1 3.718 0.02 . 1 . . . A 203 ARG HA . 18499 1 213 . 1 1 34 34 ARG HB2 H 1 1.614 0.002 . 2 . . . A 203 ARG HB2 . 18499 1 214 . 1 1 34 34 ARG HB3 H 1 1.553 0.02 . 2 . . . A 203 ARG HB3 . 18499 1 215 . 1 1 34 34 ARG HG2 H 1 1.473 0.02 . 2 . . . A 203 ARG HG2 . 18499 1 216 . 1 1 34 34 ARG HG3 H 1 0.971 0.02 . 2 . . . A 203 ARG HG3 . 18499 1 217 . 1 1 34 34 ARG HD2 H 1 2.764 0.004 . 2 . . . A 203 ARG HD2 . 18499 1 218 . 1 1 34 34 ARG HD3 H 1 2.478 0.005 . 2 . . . A 203 ARG HD3 . 18499 1 219 . 1 1 34 34 ARG HE H 1 8.739 0.02 . 1 . . . A 203 ARG HE . 18499 1 220 . 1 1 35 35 LYS H H 1 6.954 0.02 . 1 . . . A 204 LYS H . 18499 1 221 . 1 1 35 35 LYS HA H 1 3.735 0.02 . 1 . . . A 204 LYS HA . 18499 1 222 . 1 1 35 35 LYS HB2 H 1 1.535 0.02 . 2 . . . A 204 LYS HB2 . 18499 1 223 . 1 1 35 35 LYS HG2 H 1 1.370 0.02 . 2 . . . A 204 LYS HG2 . 18499 1 224 . 1 1 35 35 LYS HD2 H 1 1.065 0.02 . 2 . . . A 204 LYS HD2 . 18499 1 225 . 1 1 36 36 ALA H H 1 6.940 0.02 . 1 . . . A 205 ALA H . 18499 1 226 . 1 1 36 36 ALA HA H 1 3.762 0.02 . 1 . . . A 205 ALA HA . 18499 1 227 . 1 1 36 36 ALA HB1 H 1 0.487 0.02 . 1 . . . A 205 ALA HB1 . 18499 1 228 . 1 1 36 36 ALA HB2 H 1 0.487 0.02 . 1 . . . A 205 ALA HB2 . 18499 1 229 . 1 1 36 36 ALA HB3 H 1 0.487 0.02 . 1 . . . A 205 ALA HB3 . 18499 1 230 . 2 2 1 1 GLY HA2 H 1 4.077 0.02 . 2 . . . B 204 GLY HA2 . 18499 1 231 . 2 2 1 1 GLY HA3 H 1 4.077 0.02 . 2 . . . B 204 GLY HA3 . 18499 1 232 . 2 2 1 1 GLY H H 1 8.132 0.02 . 1 . . . B 204 GLY H1 . 18499 1 233 . 2 2 3 3 SER HA H 1 4.441 0.02 . 1 . . . B 206 SER HA . 18499 1 234 . 2 2 3 3 SER HB2 H 1 4.024 0.02 . 2 . . . B 206 SER HB2 . 18499 1 235 . 2 2 4 4 PRO HA H 1 4.466 0.02 . 1 . . . B 207 PRO HA . 18499 1 236 . 2 2 4 4 PRO HB2 H 1 2.090 0.02 . 2 . . . B 207 PRO HB2 . 18499 1 237 . 2 2 4 4 PRO HG2 H 1 1.800 0.02 . 2 . . . B 207 PRO HG2 . 18499 1 238 . 2 2 4 4 PRO HD2 H 1 3.576 0.02 . 2 . . . B 207 PRO HD2 . 18499 1 239 . 2 2 4 4 PRO HD3 H 1 3.371 0.005 . 2 . . . B 207 PRO HD3 . 18499 1 240 . 2 2 7 7 PRO HA H 1 4.268 0.02 . 1 . . . B 210 PRO HA . 18499 1 241 . 2 2 7 7 PRO HG2 H 1 1.031 0.02 . 2 . . . B 210 PRO HG2 . 18499 1 242 . 2 2 8 8 TYR H H 1 7.860 0.003 . 1 . . . B 211 TYR H . 18499 1 243 . 2 2 8 8 TYR HA H 1 4.131 0.02 . 1 . . . B 211 TYR HA . 18499 1 244 . 2 2 8 8 TYR HB2 H 1 2.803 0.001 . 2 . . . B 211 TYR HB2 . 18499 1 245 . 2 2 8 8 TYR HB3 H 1 2.771 0.02 . 2 . . . B 211 TYR HB3 . 18499 1 246 . 2 2 8 8 TYR HD1 H 1 6.870 0.004 . 3 . . . B 211 TYR HD1 . 18499 1 247 . 2 2 8 8 TYR HD2 H 1 6.870 0.004 . 3 . . . B 211 TYR HD2 . 18499 1 248 . 2 2 8 8 TYR HE1 H 1 6.429 0.003 . 3 . . . B 211 TYR HE1 . 18499 1 249 . 2 2 8 8 TYR HE2 H 1 6.429 0.003 . 3 . . . B 211 TYR HE2 . 18499 1 250 . 2 2 10 10 ARG H H 1 8.221 0.02 . 1 . . . B 213 ARG H . 18499 1 251 . 2 2 10 10 ARG HA H 1 4.082 0.02 . 1 . . . B 213 ARG HA . 18499 1 252 . 2 2 10 10 ARG HB2 H 1 1.509 0.073 . 2 . . . B 213 ARG HB2 . 18499 1 253 . 2 2 10 10 ARG HB3 H 1 1.353 0.02 . 2 . . . B 213 ARG HB3 . 18499 1 254 . 2 2 10 10 ARG HG2 H 1 1.449 0.02 . 2 . . . B 213 ARG HG2 . 18499 1 255 . 2 2 10 10 ARG HG3 H 1 1.333 0.02 . 2 . . . B 213 ARG HG3 . 18499 1 256 . 2 2 10 10 ARG HD2 H 1 2.942 0.005 . 2 . . . B 213 ARG HD2 . 18499 1 257 . 2 2 11 11 TYR H H 1 7.969 0.02 . 1 . . . B 214 TYR H . 18499 1 258 . 2 2 11 11 TYR HA H 1 4.594 0.002 . 1 . . . B 214 TYR HA . 18499 1 259 . 2 2 11 11 TYR HB2 H 1 2.896 0.02 . 2 . . . B 214 TYR HB2 . 18499 1 260 . 2 2 11 11 TYR HB3 H 1 2.578 0.02 . 2 . . . B 214 TYR HB3 . 18499 1 261 . 2 2 11 11 TYR HD1 H 1 6.944 0.003 . 3 . . . B 214 TYR HD1 . 18499 1 262 . 2 2 11 11 TYR HD2 H 1 6.944 0.003 . 3 . . . B 214 TYR HD2 . 18499 1 263 . 2 2 11 11 TYR HE1 H 1 6.594 0.02 . 3 . . . B 214 TYR HE1 . 18499 1 264 . 2 2 11 11 TYR HE2 H 1 6.594 0.02 . 3 . . . B 214 TYR HE2 . 18499 1 265 . 2 2 12 12 PRO HA H 1 4.116 0.02 . 1 . . . B 215 PRO HA . 18499 1 266 . 2 2 12 12 PRO HB2 H 1 1.995 0.02 . 2 . . . B 215 PRO HB2 . 18499 1 267 . 2 2 12 12 PRO HG2 H 1 1.633 0.02 . 2 . . . B 215 PRO HG2 . 18499 1 268 . 2 2 12 12 PRO HD2 H 1 3.551 0.02 . 2 . . . B 215 PRO HD2 . 18499 1 269 . 2 2 12 12 PRO HD3 H 1 3.373 0.013 . 2 . . . B 215 PRO HD3 . 18499 1 stop_ save_