################################### # 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 17539 _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-1H NOESY' . . . 17539 1 2 '2D 1H-1H TOCSY' . . . 17539 1 5 '2D 1H-15N HSQC' . . . 17539 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 5 5 ASP H H 1 7.934 0.000 . 1 . . . A 170 ASP H . 17539 1 2 . 1 1 5 5 ASP HA H 1 4.222 0.000 . 1 . . . A 170 ASP HA . 17539 1 3 . 1 1 5 5 ASP HB2 H 1 2.513 0.000 . 2 . . . A 170 ASP HB2 . 17539 1 4 . 1 1 5 5 ASP HB3 H 1 2.376 0.000 . 2 . . . A 170 ASP HB3 . 17539 1 5 . 1 1 6 6 VAL H H 1 7.178 0.000 . 1 . . . A 171 VAL H . 17539 1 6 . 1 1 6 6 VAL HA H 1 4.021 0.000 . 1 . . . A 171 VAL HA . 17539 1 7 . 1 1 6 6 VAL HB H 1 1.779 0.000 . 1 . . . A 171 VAL HB . 17539 1 8 . 1 1 6 6 VAL HG11 H 1 0.776 0.000 . 2 . . . A 171 VAL HG12 . 17539 1 9 . 1 1 6 6 VAL HG12 H 1 0.776 0.000 . 2 . . . A 171 VAL HG12 . 17539 1 10 . 1 1 6 6 VAL HG13 H 1 0.776 0.000 . 2 . . . A 171 VAL HG12 . 17539 1 11 . 1 1 6 6 VAL HG21 H 1 0.753 0.004 . 2 . . . A 171 VAL HG22 . 17539 1 12 . 1 1 6 6 VAL HG22 H 1 0.753 0.004 . 2 . . . A 171 VAL HG22 . 17539 1 13 . 1 1 6 6 VAL HG23 H 1 0.753 0.004 . 2 . . . A 171 VAL HG22 . 17539 1 14 . 1 1 7 7 PRO HA H 1 4.134 0.000 . 1 . . . A 172 PRO HA . 17539 1 15 . 1 1 7 7 PRO HB2 H 1 1.764 0.004 . 2 . . . A 172 PRO HB2 . 17539 1 16 . 1 1 7 7 PRO HB3 H 1 1.617 0.004 . 2 . . . A 172 PRO HB3 . 17539 1 17 . 1 1 7 7 PRO HG2 H 1 2.099 0.001 . 2 . . . A 172 PRO HG2 . 17539 1 18 . 1 1 7 7 PRO HD2 H 1 3.797 0.000 . 2 . . . A 172 PRO HD2 . 17539 1 19 . 1 1 7 7 PRO HD3 H 1 3.435 0.000 . 2 . . . A 172 PRO HD3 . 17539 1 20 . 1 1 8 8 LEU H H 1 8.380 0.000 . 1 . . . A 173 LEU H . 17539 1 21 . 1 1 8 8 LEU HA H 1 4.008 0.000 . 1 . . . A 173 LEU HA . 17539 1 22 . 1 1 8 8 LEU HB2 H 1 1.620 0.000 . 2 . . . A 173 LEU HB2 . 17539 1 23 . 1 1 8 8 LEU HB3 H 1 1.555 0.000 . 2 . . . A 173 LEU HB3 . 17539 1 24 . 1 1 8 8 LEU HG H 1 1.285 0.000 . 1 . . . A 173 LEU HG . 17539 1 25 . 1 1 8 8 LEU HD11 H 1 0.907 0.001 . 2 . . . A 173 LEU HD12 . 17539 1 26 . 1 1 8 8 LEU HD12 H 1 0.907 0.001 . 2 . . . A 173 LEU HD12 . 17539 1 27 . 1 1 8 8 LEU HD13 H 1 0.907 0.001 . 2 . . . A 173 LEU HD12 . 17539 1 28 . 1 1 8 8 LEU HD21 H 1 0.667 0.001 . 2 . . . A 173 LEU HD22 . 17539 1 29 . 1 1 8 8 LEU HD22 H 1 0.667 0.001 . 2 . . . A 173 LEU HD22 . 17539 1 30 . 1 1 8 8 LEU HD23 H 1 0.667 0.001 . 2 . . . A 173 LEU HD22 . 17539 1 31 . 1 1 9 9 PRO HA H 1 4.270 0.000 . 1 . . . A 174 PRO HA . 17539 1 32 . 1 1 9 9 PRO HB2 H 1 1.365 0.000 . 2 . . . A 174 PRO HB2 . 17539 1 33 . 1 1 9 9 PRO HB3 H 1 1.292 0.000 . 2 . . . A 174 PRO HB3 . 17539 1 34 . 1 1 9 9 PRO HG2 H 1 1.772 0.000 . 2 . . . A 174 PRO HG2 . 17539 1 35 . 1 1 9 9 PRO HG3 H 1 1.620 0.000 . 2 . . . A 174 PRO HG3 . 17539 1 36 . 1 1 9 9 PRO HD2 H 1 3.147 0.000 . 2 . . . A 174 PRO HD2 . 17539 1 37 . 1 1 9 9 PRO HD3 H 1 2.694 0.001 . 2 . . . A 174 PRO HD3 . 17539 1 38 . 1 1 10 10 ALA H H 1 8.264 0.000 . 1 . . . A 175 ALA H . 17539 1 39 . 1 1 10 10 ALA HA H 1 3.986 0.000 . 1 . . . A 175 ALA HA . 17539 1 40 . 1 1 10 10 ALA HB1 H 1 1.209 0.000 . 1 . . . A 175 ALA HB2 . 17539 1 41 . 1 1 10 10 ALA HB2 H 1 1.209 0.000 . 1 . . . A 175 ALA HB2 . 17539 1 42 . 1 1 10 10 ALA HB3 H 1 1.209 0.000 . 1 . . . A 175 ALA HB2 . 17539 1 43 . 1 1 11 11 GLY H H 1 8.592 0.000 . 1 . . . A 176 GLY H . 17539 1 44 . 1 1 11 11 GLY HA2 H 1 3.389 0.000 . 2 . . . A 176 GLY HA2 . 17539 1 45 . 1 1 12 12 TRP H H 1 7.519 0.000 . 1 . . . A 177 TRP H . 17539 1 46 . 1 1 12 12 TRP HA H 1 5.507 0.000 . 1 . . . A 177 TRP HA . 17539 1 47 . 1 1 12 12 TRP HB2 H 1 3.089 0.001 . 2 . . . A 177 TRP HB2 . 17539 1 48 . 1 1 12 12 TRP HB3 H 1 2.862 0.001 . 2 . . . A 177 TRP HB3 . 17539 1 49 . 1 1 12 12 TRP HD1 H 1 6.869 0.000 . 1 . . . A 177 TRP HD1 . 17539 1 50 . 1 1 12 12 TRP HE1 H 1 10.225 0.000 . 1 . . . A 177 TRP HE1 . 17539 1 51 . 1 1 12 12 TRP HE3 H 1 6.651 0.003 . 1 . . . A 177 TRP HE3 . 17539 1 52 . 1 1 12 12 TRP HZ2 H 1 7.257 0.000 . 1 . . . A 177 TRP HZ2 . 17539 1 53 . 1 1 12 12 TRP HZ3 H 1 6.965 0.003 . 1 . . . A 177 TRP HZ3 . 17539 1 54 . 1 1 12 12 TRP HH2 H 1 7.202 0.003 . 1 . . . A 177 TRP HH2 . 17539 1 55 . 1 1 13 13 GLU H H 1 9.269 0.000 . 1 . . . A 178 GLU H . 17539 1 56 . 1 1 13 13 GLU HA H 1 4.527 0.000 . 1 . . . A 178 GLU HA . 17539 1 57 . 1 1 13 13 GLU HB2 H 1 1.958 0.000 . 2 . . . A 178 GLU HB2 . 17539 1 58 . 1 1 13 13 GLU HB3 H 1 1.855 0.000 . 2 . . . A 178 GLU HB3 . 17539 1 59 . 1 1 13 13 GLU HG2 H 1 2.178 0.000 . 2 . . . A 178 GLU HG2 . 17539 1 60 . 1 1 13 13 GLU HG3 H 1 2.028 0.000 . 2 . . . A 178 GLU HG3 . 17539 1 61 . 1 1 14 14 MET H H 1 8.833 0.000 . 1 . . . A 179 MET H . 17539 1 62 . 1 1 14 14 MET HA H 1 4.228 0.000 . 1 . . . A 179 MET HA . 17539 1 63 . 1 1 14 14 MET HB2 H 1 1.788 0.085 . 2 . . . A 179 MET HB2 . 17539 1 64 . 1 1 14 14 MET HB3 H 1 1.629 0.059 . 2 . . . A 179 MET HB3 . 17539 1 65 . 1 1 14 14 MET HG2 H 1 2.192 0.000 . 2 . . . A 179 MET HG2 . 17539 1 66 . 1 1 15 15 ALA H H 1 8.195 0.000 . 1 . . . A 180 ALA H . 17539 1 67 . 1 1 15 15 ALA HA H 1 4.150 0.000 . 1 . . . A 180 ALA HA . 17539 1 68 . 1 1 15 15 ALA HB1 H 1 0.336 0.000 . 1 . . . A 180 ALA HB2 . 17539 1 69 . 1 1 15 15 ALA HB2 H 1 0.336 0.000 . 1 . . . A 180 ALA HB2 . 17539 1 70 . 1 1 15 15 ALA HB3 H 1 0.336 0.000 . 1 . . . A 180 ALA HB2 . 17539 1 71 . 1 1 16 16 LYS H H 1 7.878 0.000 . 1 . . . A 181 LYS H . 17539 1 72 . 1 1 16 16 LYS HA H 1 5.245 0.007 . 1 . . . A 181 LYS HA . 17539 1 73 . 1 1 16 16 LYS HB2 H 1 1.344 0.006 . 2 . . . A 181 LYS HB2 . 17539 1 74 . 1 1 16 16 LYS HB3 H 1 1.367 0.000 . 2 . . . A 181 LYS HB3 . 17539 1 75 . 1 1 16 16 LYS HG2 H 1 1.424 0.009 . 2 . . . A 181 LYS HG2 . 17539 1 76 . 1 1 16 16 LYS HG3 H 1 0.961 0.000 . 2 . . . A 181 LYS HG3 . 17539 1 77 . 1 1 16 16 LYS HD2 H 1 1.089 0.000 . 2 . . . A 181 LYS HD2 . 17539 1 78 . 1 1 16 16 LYS HD3 H 1 0.963 0.003 . 2 . . . A 181 LYS HD3 . 17539 1 79 . 1 1 16 16 LYS HE2 H 1 2.641 0.000 . 2 . . . A 181 LYS HE2 . 17539 1 80 . 1 1 17 17 THR H H 1 9.008 0.000 . 1 . . . A 182 THR H . 17539 1 81 . 1 1 17 17 THR HA H 1 4.232 0.000 . 1 . . . A 182 THR HA . 17539 1 82 . 1 1 17 17 THR HG1 H 1 4.762 0.000 . 1 . . . A 182 THR HG1 . 17539 1 83 . 1 1 17 17 THR HG21 H 1 1.345 0.000 . 1 . . . A 182 THR HG22 . 17539 1 84 . 1 1 17 17 THR HG22 H 1 1.345 0.000 . 1 . . . A 182 THR HG22 . 17539 1 85 . 1 1 17 17 THR HG23 H 1 1.345 0.000 . 1 . . . A 182 THR HG22 . 17539 1 86 . 1 1 18 18 SER H H 1 8.473 0.000 . 1 . . . A 183 SER H . 17539 1 87 . 1 1 18 18 SER HA H 1 4.065 0.000 . 1 . . . A 183 SER HA . 17539 1 88 . 1 1 18 18 SER HB2 H 1 3.864 0.000 . 2 . . . A 183 SER HB2 . 17539 1 89 . 1 1 18 18 SER HB3 H 1 3.803 0.000 . 2 . . . A 183 SER HB3 . 17539 1 90 . 1 1 19 19 SER H H 1 7.975 0.000 . 1 . . . A 184 SER H . 17539 1 91 . 1 1 19 19 SER HA H 1 4.405 0.000 . 1 . . . A 184 SER HA . 17539 1 92 . 1 1 19 19 SER HB2 H 1 3.896 0.001 . 2 . . . A 184 SER HB2 . 17539 1 93 . 1 1 19 19 SER HB3 H 1 3.654 0.002 . 2 . . . A 184 SER HB3 . 17539 1 94 . 1 1 20 20 GLY H H 1 7.972 0.000 . 1 . . . A 185 GLY H . 17539 1 95 . 1 1 20 20 GLY HA2 H 1 3.382 0.000 . 2 . . . A 185 GLY HA2 . 17539 1 96 . 1 1 21 21 GLN H H 1 7.379 0.000 . 1 . . . A 186 GLN H . 17539 1 97 . 1 1 21 21 GLN HA H 1 4.221 0.000 . 1 . . . A 186 GLN HA . 17539 1 98 . 1 1 21 21 GLN HB2 H 1 2.093 0.001 . 2 . . . A 186 GLN HB2 . 17539 1 99 . 1 1 21 21 GLN HB3 H 1 2.049 0.000 . 2 . . . A 186 GLN HB3 . 17539 1 100 . 1 1 21 21 GLN HG2 H 1 2.191 0.000 . 2 . . . A 186 GLN HG2 . 17539 1 101 . 1 1 21 21 GLN HG3 H 1 2.123 0.000 . 2 . . . A 186 GLN HG3 . 17539 1 102 . 1 1 21 21 GLN HE21 H 1 7.299 0.000 . 2 . . . A 186 GLN HE21 . 17539 1 103 . 1 1 21 21 GLN HE22 H 1 6.446 0.000 . 2 . . . A 186 GLN HE22 . 17539 1 104 . 1 1 22 22 ARG H H 1 8.775 0.000 . 1 . . . A 187 ARG H . 17539 1 105 . 1 1 22 22 ARG HA H 1 4.239 0.002 . 1 . . . A 187 ARG HA . 17539 1 106 . 1 1 22 22 ARG HB2 H 1 1.613 0.004 . 2 . . . A 187 ARG HB2 . 17539 1 107 . 1 1 22 22 ARG HB3 H 1 1.536 0.062 . 2 . . . A 187 ARG HB3 . 17539 1 108 . 1 1 22 22 ARG HG2 H 1 1.463 0.009 . 2 . . . A 187 ARG HG2 . 17539 1 109 . 1 1 22 22 ARG HG3 H 1 1.224 0.000 . 2 . . . A 187 ARG HG3 . 17539 1 110 . 1 1 23 23 TYR H H 1 8.452 0.000 . 1 . . . A 188 TYR H . 17539 1 111 . 1 1 23 23 TYR HA H 1 4.467 0.000 . 1 . . . A 188 TYR HA . 17539 1 112 . 1 1 23 23 TYR HB2 H 1 2.424 0.005 . 2 . . . A 188 TYR HB2 . 17539 1 113 . 1 1 23 23 TYR HB3 H 1 2.152 0.003 . 2 . . . A 188 TYR HB3 . 17539 1 114 . 1 1 23 23 TYR HD1 H 1 6.513 0.000 . 3 . . . A 188 TYR HD1 . 17539 1 115 . 1 1 23 23 TYR HE1 H 1 6.102 0.003 . 3 . . . A 188 TYR HE1 . 17539 1 116 . 1 1 24 24 PHE H H 1 8.695 0.000 . 1 . . . A 189 PHE H . 17539 1 117 . 1 1 24 24 PHE HA H 1 5.102 0.000 . 1 . . . A 189 PHE HA . 17539 1 118 . 1 1 24 24 PHE HB2 H 1 2.975 0.000 . 2 . . . A 189 PHE HB2 . 17539 1 119 . 1 1 24 24 PHE HB3 H 1 2.849 0.002 . 2 . . . A 189 PHE HB3 . 17539 1 120 . 1 1 24 24 PHE HD1 H 1 6.799 0.000 . 3 . . . A 189 PHE HD1 . 17539 1 121 . 1 1 24 24 PHE HE1 H 1 7.005 0.001 . 3 . . . A 189 PHE HE1 . 17539 1 122 . 1 1 24 24 PHE HZ H 1 7.203 0.002 . 1 . . . A 189 PHE HZ . 17539 1 123 . 1 1 25 25 LEU H H 1 9.185 0.001 . 1 . . . A 190 LEU H . 17539 1 124 . 1 1 25 25 LEU HA H 1 4.531 0.000 . 1 . . . A 190 LEU HA . 17539 1 125 . 1 1 25 25 LEU HB2 H 1 1.082 0.000 . 2 . . . A 190 LEU HB2 . 17539 1 126 . 1 1 25 25 LEU HB3 H 1 1.055 0.000 . 2 . . . A 190 LEU HB3 . 17539 1 127 . 1 1 25 25 LEU HG H 1 0.885 0.000 . 1 . . . A 190 LEU HG . 17539 1 128 . 1 1 25 25 LEU HD11 H 1 0.495 0.000 . 2 . . . A 190 LEU HD12 . 17539 1 129 . 1 1 25 25 LEU HD12 H 1 0.495 0.000 . 2 . . . A 190 LEU HD12 . 17539 1 130 . 1 1 25 25 LEU HD13 H 1 0.495 0.000 . 2 . . . A 190 LEU HD12 . 17539 1 131 . 1 1 25 25 LEU HD21 H 1 0.391 0.000 . 2 . . . A 190 LEU HD22 . 17539 1 132 . 1 1 25 25 LEU HD22 H 1 0.391 0.000 . 2 . . . A 190 LEU HD22 . 17539 1 133 . 1 1 25 25 LEU HD23 H 1 0.391 0.000 . 2 . . . A 190 LEU HD22 . 17539 1 134 . 1 1 26 26 ASN H H 1 8.135 0.000 . 1 . . . A 191 ASN H . 17539 1 135 . 1 1 26 26 ASN HA H 1 3.691 0.000 . 1 . . . A 191 ASN HA . 17539 1 136 . 1 1 26 26 ASN HB2 H 1 2.361 0.000 . 2 . . . A 191 ASN HB2 . 17539 1 137 . 1 1 26 26 ASN HB3 H 1 0.019 0.000 . 2 . . . A 191 ASN HB3 . 17539 1 138 . 1 1 26 26 ASN HD21 H 1 6.436 0.000 . 2 . . . A 191 ASN HD21 . 17539 1 139 . 1 1 26 26 ASN HD22 H 1 5.636 0.000 . 2 . . . A 191 ASN HD22 . 17539 1 140 . 1 1 27 27 HIS H H 1 8.502 0.000 . 1 . . . A 192 HIS H . 17539 1 141 . 1 1 27 27 HIS HA H 1 4.076 0.000 . 1 . . . A 192 HIS HA . 17539 1 142 . 1 1 27 27 HIS HB2 H 1 2.859 0.000 . 2 . . . A 192 HIS HB2 . 17539 1 143 . 1 1 27 27 HIS HD1 H 1 6.592 0.000 . 1 . . . A 192 HIS HD1 . 17539 1 144 . 1 1 27 27 HIS HE1 H 1 7.525 0.000 . 1 . . . A 192 HIS HE1 . 17539 1 145 . 1 1 28 28 ILE H H 1 8.024 0.000 . 1 . . . A 193 ILE H . 17539 1 146 . 1 1 28 28 ILE HA H 1 3.611 0.000 . 1 . . . A 193 ILE HA . 17539 1 147 . 1 1 28 28 ILE HB H 1 1.780 0.000 . 1 . . . A 193 ILE HB . 17539 1 148 . 1 1 28 28 ILE HG21 H 1 1.303 0.000 . 1 . . . A 193 ILE HG21 . 17539 1 149 . 1 1 28 28 ILE HG22 H 1 0.627 0.000 . 1 . . . A 193 ILE HG22 . 17539 1 150 . 1 1 28 28 ILE HG23 H 1 0.969 0.000 . 1 . . . A 193 ILE HG22 . 17539 1 151 . 1 1 28 28 ILE HD11 H 1 0.965 0.000 . 1 . . . A 193 ILE HD12 . 17539 1 152 . 1 1 28 28 ILE HD12 H 1 0.965 0.000 . 1 . . . A 193 ILE HD12 . 17539 1 153 . 1 1 28 28 ILE HD13 H 1 0.965 0.000 . 1 . . . A 193 ILE HD12 . 17539 1 154 . 1 1 29 29 ASP H H 1 6.873 0.000 . 1 . . . A 194 ASP H . 17539 1 155 . 1 1 29 29 ASP HA H 1 4.352 0.000 . 1 . . . A 194 ASP HA . 17539 1 156 . 1 1 29 29 ASP HB2 H 1 2.345 0.005 . 2 . . . A 194 ASP HB2 . 17539 1 157 . 1 1 29 29 ASP HB3 H 1 2.188 0.004 . 2 . . . A 194 ASP HB3 . 17539 1 158 . 1 1 30 30 GLN H H 1 7.575 0.000 . 1 . . . A 195 GLN H . 17539 1 159 . 1 1 30 30 GLN HA H 1 3.620 0.001 . 1 . . . A 195 GLN HA . 17539 1 160 . 1 1 30 30 GLN HB2 H 1 1.985 0.004 . 2 . . . A 195 GLN HB2 . 17539 1 161 . 1 1 30 30 GLN HG2 H 1 2.078 0.000 . 2 . . . A 195 GLN HG2 . 17539 1 162 . 1 1 30 30 GLN HE21 H 1 7.380 0.000 . 2 . . . A 195 GLN HE21 . 17539 1 163 . 1 1 30 30 GLN HE22 H 1 6.671 0.000 . 2 . . . A 195 GLN HE22 . 17539 1 164 . 1 1 31 31 THR H H 1 7.632 0.003 . 1 . . . A 196 THR H . 17539 1 165 . 1 1 31 31 THR HA H 1 4.413 0.003 . 1 . . . A 196 THR HA . 17539 1 166 . 1 1 31 31 THR HB H 1 3.930 0.001 . 1 . . . A 196 THR HB . 17539 1 167 . 1 1 31 31 THR HG21 H 1 0.865 0.003 . 1 . . . A 196 THR HG22 . 17539 1 168 . 1 1 31 31 THR HG22 H 1 0.865 0.003 . 1 . . . A 196 THR HG22 . 17539 1 169 . 1 1 31 31 THR HG23 H 1 0.865 0.003 . 1 . . . A 196 THR HG22 . 17539 1 170 . 1 1 32 32 THR H H 1 8.056 0.000 . 1 . . . A 197 THR H . 17539 1 171 . 1 1 32 32 THR HA H 1 5.298 0.000 . 1 . . . A 197 THR HA . 17539 1 172 . 1 1 32 32 THR HB H 1 3.747 0.000 . 1 . . . A 197 THR HB . 17539 1 173 . 1 1 32 32 THR HG21 H 1 0.897 0.000 . 1 . . . A 197 THR HG22 . 17539 1 174 . 1 1 32 32 THR HG22 H 1 0.897 0.000 . 1 . . . A 197 THR HG22 . 17539 1 175 . 1 1 32 32 THR HG23 H 1 0.897 0.000 . 1 . . . A 197 THR HG22 . 17539 1 176 . 1 1 33 33 THR H H 1 9.007 0.000 . 1 . . . A 198 THR H . 17539 1 177 . 1 1 33 33 THR HA H 1 4.633 0.000 . 1 . . . A 198 THR HA . 17539 1 178 . 1 1 33 33 THR HB H 1 4.528 0.000 . 1 . . . A 198 THR HB . 17539 1 179 . 1 1 33 33 THR HG21 H 1 1.361 0.000 . 1 . . . A 198 THR HG22 . 17539 1 180 . 1 1 33 33 THR HG22 H 1 1.361 0.000 . 1 . . . A 198 THR HG22 . 17539 1 181 . 1 1 33 33 THR HG23 H 1 1.361 0.000 . 1 . . . A 198 THR HG22 . 17539 1 182 . 1 1 34 34 TRP H H 1 8.518 0.000 . 1 . . . A 199 TRP H . 17539 1 183 . 1 1 34 34 TRP HA H 1 4.886 0.000 . 1 . . . A 199 TRP HA . 17539 1 184 . 1 1 34 34 TRP HB2 H 1 3.476 0.000 . 2 . . . A 199 TRP HB2 . 17539 1 185 . 1 1 34 34 TRP HB3 H 1 2.987 0.000 . 2 . . . A 199 TRP HB3 . 17539 1 186 . 1 1 34 34 TRP HD1 H 1 7.185 0.008 . 1 . . . A 199 TRP HD1 . 17539 1 187 . 1 1 34 34 TRP HE1 H 1 10.046 0.000 . 1 . . . A 199 TRP HE1 . 17539 1 188 . 1 1 34 34 TRP HE3 H 1 7.953 0.000 . 1 . . . A 199 TRP HE3 . 17539 1 189 . 1 1 34 34 TRP HZ2 H 1 7.146 0.000 . 1 . . . A 199 TRP HZ2 . 17539 1 190 . 1 1 34 34 TRP HZ3 H 1 6.664 0.000 . 1 . . . A 199 TRP HZ3 . 17539 1 191 . 1 1 34 34 TRP HH2 H 1 6.796 0.000 . 1 . . . A 199 TRP HH2 . 17539 1 192 . 1 1 35 35 GLN H H 1 8.453 0.000 . 1 . . . A 200 GLN H . 17539 1 193 . 1 1 35 35 GLN HA H 1 4.017 0.000 . 1 . . . A 200 GLN HA . 17539 1 194 . 1 1 35 35 GLN HB2 H 1 1.893 0.000 . 2 . . . A 200 GLN HB2 . 17539 1 195 . 1 1 35 35 GLN HB3 H 1 1.813 0.000 . 2 . . . A 200 GLN HB3 . 17539 1 196 . 1 1 35 35 GLN HG2 H 1 2.064 0.000 . 2 . . . A 200 GLN HG2 . 17539 1 197 . 1 1 35 35 GLN HG3 H 1 1.954 0.000 . 2 . . . A 200 GLN HG3 . 17539 1 198 . 1 1 35 35 GLN HE21 H 1 7.004 0.000 . 2 . . . A 200 GLN HE21 . 17539 1 199 . 1 1 35 35 GLN HE22 H 1 6.802 0.000 . 2 . . . A 200 GLN HE22 . 17539 1 200 . 1 1 36 36 ASP H H 1 8.083 0.000 . 1 . . . A 201 ASP H . 17539 1 201 . 1 1 36 36 ASP HA H 1 2.364 0.000 . 1 . . . A 201 ASP HA . 17539 1 202 . 1 1 36 36 ASP HB2 H 1 2.061 0.000 . 2 . . . A 201 ASP HB2 . 17539 1 203 . 1 1 36 36 ASP HB3 H 1 1.963 0.000 . 2 . . . A 201 ASP HB3 . 17539 1 204 . 1 1 37 37 PRO HA H 1 3.786 0.003 . 1 . . . A 202 PRO HA . 17539 1 205 . 1 1 37 37 PRO HB2 H 1 0.335 0.007 . 2 . . . A 202 PRO HB2 . 17539 1 206 . 1 1 37 37 PRO HB3 H 1 0.124 0.000 . 2 . . . A 202 PRO HB3 . 17539 1 207 . 1 1 37 37 PRO HG2 H 1 0.647 0.000 . 2 . . . A 202 PRO HG2 . 17539 1 208 . 1 1 37 37 PRO HG3 H 1 0.583 0.001 . 2 . . . A 202 PRO HG3 . 17539 1 209 . 1 1 37 37 PRO HD2 H 1 2.372 0.000 . 2 . . . A 202 PRO HD2 . 17539 1 210 . 1 1 37 37 PRO HD3 H 1 2.249 0.000 . 2 . . . A 202 PRO HD3 . 17539 1 211 . 1 1 38 38 ARG H H 1 8.145 0.000 . 1 . . . A 203 ARG H . 17539 1 212 . 1 1 38 38 ARG HA H 1 3.718 0.000 . 1 . . . A 203 ARG HA . 17539 1 213 . 1 1 38 38 ARG HB2 H 1 1.614 0.002 . 2 . . . A 203 ARG HB2 . 17539 1 214 . 1 1 38 38 ARG HB3 H 1 1.553 0.000 . 2 . . . A 203 ARG HB3 . 17539 1 215 . 1 1 38 38 ARG HG2 H 1 1.473 0.000 . 2 . . . A 203 ARG HG2 . 17539 1 216 . 1 1 38 38 ARG HG3 H 1 0.971 0.000 . 2 . . . A 203 ARG HG3 . 17539 1 217 . 1 1 38 38 ARG HD2 H 1 2.764 0.004 . 2 . . . A 203 ARG HD2 . 17539 1 218 . 1 1 38 38 ARG HD3 H 1 2.478 0.005 . 2 . . . A 203 ARG HD3 . 17539 1 219 . 1 1 38 38 ARG HE H 1 8.739 0.000 . 1 . . . A 203 ARG HE . 17539 1 220 . 1 1 39 39 LYS H H 1 6.954 0.000 . 1 . . . A 204 LYS H . 17539 1 221 . 1 1 39 39 LYS HA H 1 3.735 0.000 . 1 . . . A 204 LYS HA . 17539 1 222 . 1 1 39 39 LYS HB2 H 1 1.535 0.000 . 2 . . . A 204 LYS HB2 . 17539 1 223 . 1 1 39 39 LYS HG2 H 1 1.370 0.000 . 2 . . . A 204 LYS HG2 . 17539 1 224 . 1 1 39 39 LYS HD2 H 1 1.065 0.000 . 2 . . . A 204 LYS HD2 . 17539 1 225 . 1 1 40 40 ALA H H 1 6.940 0.000 . 1 . . . A 205 ALA H . 17539 1 226 . 1 1 40 40 ALA HA H 1 3.762 0.000 . 1 . . . A 205 ALA HA . 17539 1 227 . 1 1 40 40 ALA HB1 H 1 0.487 0.000 . 1 . . . A 205 ALA HB2 . 17539 1 228 . 1 1 40 40 ALA HB2 H 1 0.487 0.000 . 1 . . . A 205 ALA HB2 . 17539 1 229 . 1 1 40 40 ALA HB3 H 1 0.487 0.000 . 1 . . . A 205 ALA HB2 . 17539 1 stop_ save_