################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18160 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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' 1 $PpSB2-Jalpha isotropic 18160 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 ACE H1 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA1 . 18160 1 2 . 1 1 1 1 ACE H2 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA2 . 18160 1 3 . 1 1 1 1 ACE H3 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA3 . 18160 1 4 . 1 1 2 2 THR H H 1 7.890 0.002 . 1 . 1 . . 2 THR H . 18160 1 5 . 1 1 2 2 THR HA H 1 4.274 0.004 . 1 . 2 . . 2 THR HA . 18160 1 6 . 1 1 2 2 THR HB H 1 4.246 0.001 . 1 . 3 . . 2 THR HB . 18160 1 7 . 1 1 2 2 THR HG21 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG21 . 18160 1 8 . 1 1 2 2 THR HG22 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG22 . 18160 1 9 . 1 1 2 2 THR HG23 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG23 . 18160 1 10 . 1 1 3 3 ALA H H 1 8.417 0.001 . 1 . 5 . . 3 ALA H . 18160 1 11 . 1 1 3 3 ALA HA H 1 4.278 0.003 . 1 . 6 . . 3 ALA HA . 18160 1 12 . 1 1 3 3 ALA HB1 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB1 . 18160 1 13 . 1 1 3 3 ALA HB2 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB2 . 18160 1 14 . 1 1 3 3 ALA HB3 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB3 . 18160 1 15 . 1 1 4 4 GLN H H 1 8.223 0.001 . 1 . 8 . . 4 GLN H . 18160 1 16 . 1 1 4 4 GLN HA H 1 4.195 0.002 . 1 . 140 . . 4 GLN HA . 18160 1 17 . 1 1 4 4 GLN HB2 H 1 2.012 0.002 . 2 . 10 . . 4 GLN HB2 . 18160 1 18 . 1 1 4 4 GLN HB3 H 1 2.013 0.001 . 2 . 247 . . 4 GLN HB3 . 18160 1 19 . 1 1 4 4 GLN HG2 H 1 2.324 0.001 . 2 . 246 . . 4 GLN HG2 . 18160 1 20 . 1 1 4 4 GLN HG3 H 1 2.325 0.002 . 2 . 9 . . 4 GLN HG3 . 18160 1 21 . 1 1 4 4 GLN HE21 H 1 7.600 0.001 . 1 . 145 . . 4 GLN HE21 . 18160 1 22 . 1 1 4 4 GLN HE22 H 1 6.753 0.001 . 1 . 146 . . 4 GLN HE22 . 18160 1 23 . 1 1 5 5 VAL H H 1 7.774 0.002 . 1 . 11 . . 5 VAL H . 18160 1 24 . 1 1 5 5 VAL HA H 1 3.947 0.002 . 1 . 12 . . 5 VAL HA . 18160 1 25 . 1 1 5 5 VAL HB H 1 2.006 0.002 . 1 . 13 . . 5 VAL HB . 18160 1 26 . 1 1 5 5 VAL HG11 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG11 . 18160 1 27 . 1 1 5 5 VAL HG12 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG12 . 18160 1 28 . 1 1 5 5 VAL HG13 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG13 . 18160 1 29 . 1 1 5 5 VAL HG21 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG21 . 18160 1 30 . 1 1 5 5 VAL HG22 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG22 . 18160 1 31 . 1 1 5 5 VAL HG23 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG23 . 18160 1 32 . 1 1 6 6 PHE H H 1 8.051 0.001 . 1 . 16 . . 6 PHE H . 18160 1 33 . 1 1 6 6 PHE HA H 1 4.540 0.002 . 1 . 17 . . 6 PHE HA . 18160 1 34 . 1 1 6 6 PHE HB2 H 1 3.209 0.005 . 2 . 19 . . 6 PHE HB2 . 18160 1 35 . 1 1 6 6 PHE HB3 H 1 3.038 0.001 . 2 . 18 . . 6 PHE HB3 . 18160 1 36 . 1 1 6 6 PHE HD1 H 1 7.264 0.001 . 3 . 157 . . 6 PHE HD1 . 18160 1 37 . 1 1 6 6 PHE HD2 H 1 7.264 0.001 . 3 . 157 . . 6 PHE HD2 . 18160 1 38 . 1 1 6 6 PHE HE1 H 1 7.319 0.002 . 3 . 158 . . 6 PHE HE1 . 18160 1 39 . 1 1 6 6 PHE HE2 H 1 7.319 0.002 . 3 . 158 . . 6 PHE HE2 . 18160 1 40 . 1 1 7 7 ALA H H 1 8.142 0.001 . 1 . 20 . . 7 ALA H . 18160 1 41 . 1 1 7 7 ALA HA H 1 4.157 0.002 . 1 . 21 . . 7 ALA HA . 18160 1 42 . 1 1 7 7 ALA HB1 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB1 . 18160 1 43 . 1 1 7 7 ALA HB2 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB2 . 18160 1 44 . 1 1 7 7 ALA HB3 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB3 . 18160 1 45 . 1 1 8 8 GLU H H 1 8.390 0.003 . 1 . 27 . . 8 GLU H . 18160 1 46 . 1 1 8 8 GLU HA H 1 3.958 0.001 . 1 . 28 . . 8 GLU HA . 18160 1 47 . 1 1 8 8 GLU HB2 H 1 2.061 0.002 . 2 . 30 . . 8 GLU HB2 . 18160 1 48 . 1 1 8 8 GLU HB3 H 1 2.113 0.001 . 2 . 29 . . 8 GLU HB3 . 18160 1 49 . 1 1 8 8 GLU HG2 H 1 2.407 0.002 . 2 . 31 . . 8 GLU HG2 . 18160 1 50 . 1 1 8 8 GLU HG3 H 1 2.288 0.001 . 2 . 32 . . 8 GLU HG3 . 18160 1 51 . 1 1 9 9 GLU H H 1 8.379 0.004 . 1 . 33 . . 9 GLU H . 18160 1 52 . 1 1 9 9 GLU HA H 1 4.080 0.002 . 1 . 34 . . 9 GLU HA . 18160 1 53 . 1 1 9 9 GLU HB2 H 1 2.111 0.002 . 2 . 35 . . 9 GLU HB2 . 18160 1 54 . 1 1 9 9 GLU HB3 H 1 2.066 0.002 . 2 . 36 . . 9 GLU HB3 . 18160 1 55 . 1 1 9 9 GLU HG2 H 1 2.326 0.002 . 2 . 136 . . 9 GLU HG2 . 18160 1 56 . 1 1 9 9 GLU HG3 H 1 2.368 0.004 . 2 . 135 . . 9 GLU HG3 . 18160 1 57 . 1 1 10 10 ARG H H 1 7.918 0.003 . 1 . 23 . . 10 ARG H . 18160 1 58 . 1 1 10 10 ARG HA H 1 4.205 0.003 . 1 . 24 . . 10 ARG HA . 18160 1 59 . 1 1 10 10 ARG HB2 H 1 1.897 0.003 . 2 . 25 . . 10 ARG HB2 . 18160 1 60 . 1 1 10 10 ARG HB3 H 1 1.975 0.002 . 2 . 26 . . 10 ARG HB3 . 18160 1 61 . 1 1 10 10 ARG HG2 H 1 1.626 0.003 . 2 . 132 . . 10 ARG HG2 . 18160 1 62 . 1 1 10 10 ARG HG3 H 1 1.681 0.003 . 2 . 131 . . 10 ARG HG3 . 18160 1 63 . 1 1 10 10 ARG HD2 H 1 3.123 0.002 . 2 . 149 . . 10 ARG HD2 . 18160 1 64 . 1 1 10 10 ARG HD3 H 1 3.305 0.002 . 2 . 150 . . 10 ARG HD3 . 18160 1 65 . 1 1 10 10 ARG HE H 1 7.267 0.002 . 1 . 236 . . 10 ARG HE . 18160 1 66 . 1 1 11 11 VAL H H 1 7.982 0.001 . 1 . 37 . . 11 VAL H . 18160 1 67 . 1 1 11 11 VAL HA H 1 3.654 0.002 . 1 . 38 . . 11 VAL HA . 18160 1 68 . 1 1 11 11 VAL HB H 1 2.182 0.001 . 1 . 39 . . 11 VAL HB . 18160 1 69 . 1 1 11 11 VAL HG11 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG11 . 18160 1 70 . 1 1 11 11 VAL HG12 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG12 . 18160 1 71 . 1 1 11 11 VAL HG13 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG13 . 18160 1 72 . 1 1 11 11 VAL HG21 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG21 . 18160 1 73 . 1 1 11 11 VAL HG22 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG22 . 18160 1 74 . 1 1 11 11 VAL HG23 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG23 . 18160 1 75 . 1 1 12 12 ARG H H 1 7.931 0.003 . 1 . 42 . . 12 ARG H . 18160 1 76 . 1 1 12 12 ARG HA H 1 4.114 0.002 . 1 . 43 . . 12 ARG HA . 18160 1 77 . 1 1 12 12 ARG HB2 H 1 1.910 0.002 . 2 . 44 . . 12 ARG HB2 . 18160 1 78 . 1 1 12 12 ARG HB3 H 1 1.973 0.001 . 2 . 240 . . 12 ARG HB3 . 18160 1 79 . 1 1 12 12 ARG HG2 H 1 1.827 0.001 . 2 . 133 . . 12 ARG HG2 . 18160 1 80 . 1 1 12 12 ARG HG3 H 1 1.681 0.004 . 2 . 134 . . 12 ARG HG3 . 18160 1 81 . 1 1 12 12 ARG HD2 H 1 3.232 0.004 . 2 . 245 . . 12 ARG HD2 . 18160 1 82 . 1 1 12 12 ARG HD3 H 1 3.229 0.006 . 2 . 244 . . 12 ARG HD3 . 18160 1 83 . 1 1 12 12 ARG HE H 1 7.522 0.001 . 1 . 239 . . 12 ARG HE . 18160 1 84 . 1 1 13 13 GLU H H 1 8.069 0.003 . 1 . 45 . . 13 GLU H . 18160 1 85 . 1 1 13 13 GLU HA H 1 4.097 0.003 . 1 . 46 . . 13 GLU HA . 18160 1 86 . 1 1 13 13 GLU HB2 H 1 2.142 0.002 . 2 . 50 . . 13 GLU HB2 . 18160 1 87 . 1 1 13 13 GLU HB3 H 1 2.233 0.001 . 2 . 49 . . 13 GLU HB3 . 18160 1 88 . 1 1 13 13 GLU HG2 H 1 2.482 0.003 . 2 . 47 . . 13 GLU HG2 . 18160 1 89 . 1 1 13 13 GLU HG3 H 1 2.299 0.003 . 2 . 48 . . 13 GLU HG3 . 18160 1 90 . 1 1 14 14 LEU H H 1 8.178 0.001 . 1 . 51 . . 14 LEU H . 18160 1 91 . 1 1 14 14 LEU HA H 1 4.207 0.003 . 1 . 52 . . 14 LEU HA . 18160 1 92 . 1 1 14 14 LEU HB2 H 1 1.884 0.002 . 2 . 53 . . 14 LEU HB2 . 18160 1 93 . 1 1 14 14 LEU HB3 H 1 1.662 0.003 . 2 . 54 . . 14 LEU HB3 . 18160 1 94 . 1 1 14 14 LEU HG H 1 1.727 0.002 . 1 . 128 . . 14 LEU HG . 18160 1 95 . 1 1 14 14 LEU HD11 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD11 . 18160 1 96 . 1 1 14 14 LEU HD12 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD12 . 18160 1 97 . 1 1 14 14 LEU HD13 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD13 . 18160 1 98 . 1 1 14 14 LEU HD21 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD21 . 18160 1 99 . 1 1 14 14 LEU HD22 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD22 . 18160 1 100 . 1 1 14 14 LEU HD23 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD23 . 18160 1 101 . 1 1 15 15 GLU H H 1 8.662 0.001 . 1 . 55 . . 15 GLU H . 18160 1 102 . 1 1 15 15 GLU HA H 1 3.912 0.002 . 1 . 56 . . 15 GLU HA . 18160 1 103 . 1 1 15 15 GLU HB2 H 1 2.187 0.002 . 2 . 57 . . 15 GLU HB2 . 18160 1 104 . 1 1 15 15 GLU HB3 H 1 2.021 0.001 . 2 . 58 . . 15 GLU HB3 . 18160 1 105 . 1 1 15 15 GLU HG2 H 1 2.213 0.005 . 2 . 69 . . 15 GLU HG2 . 18160 1 106 . 1 1 15 15 GLU HG3 H 1 2.544 0.001 . 2 . 68 . . 15 GLU HG3 . 18160 1 107 . 1 1 16 16 ALA H H 1 7.885 0.001 . 1 . 59 . . 16 ALA H . 18160 1 108 . 1 1 16 16 ALA HA H 1 4.214 0.004 . 1 . 60 . . 16 ALA HA . 18160 1 109 . 1 1 16 16 ALA HB1 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB1 . 18160 1 110 . 1 1 16 16 ALA HB2 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB2 . 18160 1 111 . 1 1 16 16 ALA HB3 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB3 . 18160 1 112 . 1 1 17 17 GLU H H 1 8.082 0.003 . 1 . 62 . . 17 GLU H . 18160 1 113 . 1 1 17 17 GLU HA H 1 4.104 0.002 . 1 . 63 . . 17 GLU HA . 18160 1 114 . 1 1 17 17 GLU HB2 H 1 2.178 0.002 . 2 . 65 . . 17 GLU HB2 . 18160 1 115 . 1 1 17 17 GLU HB3 H 1 2.260 0.001 . 2 . 64 . . 17 GLU HB3 . 18160 1 116 . 1 1 17 17 GLU HG2 H 1 2.278 0.002 . 2 . 67 . . 17 GLU HG2 . 18160 1 117 . 1 1 17 17 GLU HG3 H 1 2.457 0.003 . 2 . 66 . . 17 GLU HG3 . 18160 1 118 . 1 1 18 18 VAL H H 1 8.513 0.001 . 1 . 70 . . 18 VAL H . 18160 1 119 . 1 1 18 18 VAL HA H 1 3.624 0.002 . 1 . 71 . . 18 VAL HA . 18160 1 120 . 1 1 18 18 VAL HB H 1 2.135 0.001 . 1 . 72 . . 18 VAL HB . 18160 1 121 . 1 1 18 18 VAL HG11 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG11 . 18160 1 122 . 1 1 18 18 VAL HG12 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG12 . 18160 1 123 . 1 1 18 18 VAL HG13 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG13 . 18160 1 124 . 1 1 18 18 VAL HG21 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG21 . 18160 1 125 . 1 1 18 18 VAL HG22 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG22 . 18160 1 126 . 1 1 18 18 VAL HG23 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG23 . 18160 1 127 . 1 1 19 19 ALA H H 1 8.071 0.002 . 1 . 75 . . 19 ALA H . 18160 1 128 . 1 1 19 19 ALA HA H 1 4.050 0.002 . 1 . 76 . . 19 ALA HA . 18160 1 129 . 1 1 19 19 ALA HB1 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB1 . 18160 1 130 . 1 1 19 19 ALA HB2 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB2 . 18160 1 131 . 1 1 19 19 ALA HB3 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB3 . 18160 1 132 . 1 1 20 20 GLU H H 1 7.848 0.001 . 1 . 78 . . 20 GLU H . 18160 1 133 . 1 1 20 20 GLU HA H 1 4.310 0.005 . 1 . 79 . . 20 GLU HA . 18160 1 134 . 1 1 20 20 GLU HB2 H 1 2.106 0.002 . 2 . 82 . . 20 GLU HB2 . 18160 1 135 . 1 1 20 20 GLU HB3 H 1 2.165 0.002 . 2 . 83 . . 20 GLU HB3 . 18160 1 136 . 1 1 20 20 GLU HG2 H 1 2.264 0.003 . 2 . 80 . . 20 GLU HG2 . 18160 1 137 . 1 1 20 20 GLU HG3 H 1 2.442 0.009 . 2 . 81 . . 20 GLU HG3 . 18160 1 138 . 1 1 21 21 LEU H H 1 8.245 0.001 . 1 . 84 . . 21 LEU H . 18160 1 139 . 1 1 21 21 LEU HA H 1 4.075 0.002 . 1 . 85 . . 21 LEU HA . 18160 1 140 . 1 1 21 21 LEU HB2 H 1 1.911 0.003 . 2 . 87 . . 21 LEU HB2 . 18160 1 141 . 1 1 21 21 LEU HB3 H 1 1.612 0.002 . 2 . 86 . . 21 LEU HB3 . 18160 1 142 . 1 1 21 21 LEU HG H 1 1.773 0.001 . 1 . 88 . . 21 LEU HG . 18160 1 143 . 1 1 21 21 LEU HD11 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD11 . 18160 1 144 . 1 1 21 21 LEU HD12 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD12 . 18160 1 145 . 1 1 21 21 LEU HD13 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD13 . 18160 1 146 . 1 1 21 21 LEU HD21 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD21 . 18160 1 147 . 1 1 21 21 LEU HD22 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD22 . 18160 1 148 . 1 1 21 21 LEU HD23 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD23 . 18160 1 149 . 1 1 22 22 ARG H H 1 8.506 0.001 . 1 . 89 . . 22 ARG H . 18160 1 150 . 1 1 22 22 ARG HA H 1 4.007 0.002 . 1 . 90 . . 22 ARG HA . 18160 1 151 . 1 1 22 22 ARG HB2 H 1 1.915 0.003 . 2 . 92 . . 22 ARG HB2 . 18160 1 152 . 1 1 22 22 ARG HB3 H 1 1.894 0.001 . 2 . 91 . . 22 ARG HB3 . 18160 1 153 . 1 1 22 22 ARG HG2 H 1 1.617 0.002 . 2 . 130 . . 22 ARG HG2 . 18160 1 154 . 1 1 22 22 ARG HG3 H 1 1.880 0.002 . 2 . 129 . . 22 ARG HG3 . 18160 1 155 . 1 1 22 22 ARG HD2 H 1 3.131 0.002 . 2 . 153 . . 22 ARG HD2 . 18160 1 156 . 1 1 22 22 ARG HD3 H 1 3.132 0.002 . 2 . 154 . . 22 ARG HD3 . 18160 1 157 . 1 1 22 22 ARG HE H 1 7.157 0.001 . 1 . 241 . . 22 ARG HE . 18160 1 158 . 1 1 23 23 ARG H H 1 7.997 0.001 . 1 . 93 . . 23 ARG H . 18160 1 159 . 1 1 23 23 ARG HA H 1 4.079 0.001 . 1 . 94 . . 23 ARG HA . 18160 1 160 . 1 1 23 23 ARG HB2 H 1 2.024 0.001 . 2 . 97 . . 23 ARG HB2 . 18160 1 161 . 1 1 23 23 ARG HB3 H 1 2.023 0.001 . 2 . 234 . . 23 ARG HB3 . 18160 1 162 . 1 1 23 23 ARG HG2 H 1 1.565 0.003 . 2 . 96 . . 23 ARG HG2 . 18160 1 163 . 1 1 23 23 ARG HG3 H 1 1.772 0.001 . 2 . 95 . . 23 ARG HG3 . 18160 1 164 . 1 1 23 23 ARG HD2 H 1 3.186 0.001 . 2 . 151 . . 23 ARG HD2 . 18160 1 165 . 1 1 23 23 ARG HD3 H 1 3.290 0.001 . 2 . 152 . . 23 ARG HD3 . 18160 1 166 . 1 1 23 23 ARG HE H 1 7.805 0.001 . 1 . 235 . . 23 ARG HE . 18160 1 167 . 1 1 24 24 GLN H H 1 8.177 0.001 . 1 . 98 . . 24 GLN H . 18160 1 168 . 1 1 24 24 GLN HA H 1 4.082 0.003 . 1 . 99 . . 24 GLN HA . 18160 1 169 . 1 1 24 24 GLN HB2 H 1 2.232 0.002 . 2 . 102 . . 24 GLN HB2 . 18160 1 170 . 1 1 24 24 GLN HB3 H 1 2.162 0.002 . 2 . 103 . . 24 GLN HB3 . 18160 1 171 . 1 1 24 24 GLN HG2 H 1 2.426 0.003 . 2 . 100 . . 24 GLN HG2 . 18160 1 172 . 1 1 24 24 GLN HG3 H 1 2.624 0.001 . 2 . 101 . . 24 GLN HG3 . 18160 1 173 . 1 1 24 24 GLN HE21 H 1 7.830 0.003 . 1 . 144 . . 24 GLN HE21 . 18160 1 174 . 1 1 24 24 GLN HE22 H 1 6.669 0.003 . 1 . 143 . . 24 GLN HE22 . 18160 1 175 . 1 1 25 25 GLN H H 1 8.110 0.001 . 1 . 104 . . 25 GLN H . 18160 1 176 . 1 1 25 25 GLN HA H 1 4.200 0.003 . 1 . 105 . . 25 GLN HA . 18160 1 177 . 1 1 25 25 GLN HB2 H 1 2.141 0.002 . 2 . 109 . . 25 GLN HB2 . 18160 1 178 . 1 1 25 25 GLN HB3 H 1 2.181 0.004 . 2 . 108 . . 25 GLN HB3 . 18160 1 179 . 1 1 25 25 GLN HG2 H 1 2.416 0.002 . 2 . 107 . . 25 GLN HG2 . 18160 1 180 . 1 1 25 25 GLN HG3 H 1 2.542 0.001 . 2 . 106 . . 25 GLN HG3 . 18160 1 181 . 1 1 25 25 GLN HE21 H 1 6.692 0.002 . 1 . 142 . . 25 GLN HE21 . 18160 1 182 . 1 1 25 25 GLN HE22 H 1 7.393 0.001 . 1 . 141 . . 25 GLN HE22 . 18160 1 183 . 1 1 26 26 GLY H H 1 8.047 0.002 . 1 . 137 . . 26 GLY H . 18160 1 184 . 1 1 26 26 GLY HA2 H 1 4.005 0.002 . 2 . 138 . . 26 GLY HA2 . 18160 1 185 . 1 1 26 26 GLY HA3 H 1 3.942 0.004 . 2 . 139 . . 26 GLY HA3 . 18160 1 186 . 1 1 27 27 GLN H H 1 7.884 0.001 . 1 . 110 . . 27 GLN H . 18160 1 187 . 1 1 27 27 GLN HA H 1 4.331 0.003 . 1 . 111 . . 27 GLN HA . 18160 1 188 . 1 1 27 27 GLN HB2 H 1 2.015 0.003 . 2 . 114 . . 27 GLN HB2 . 18160 1 189 . 1 1 27 27 GLN HB3 H 1 2.170 0.004 . 2 . 113 . . 27 GLN HB3 . 18160 1 190 . 1 1 27 27 GLN HG2 H 1 2.404 0.001 . 2 . 248 . . 27 GLN HG2 . 18160 1 191 . 1 1 27 27 GLN HG3 H 1 2.408 0.003 . 2 . 112 . . 27 GLN HG3 . 18160 1 192 . 1 1 27 27 GLN HE21 H 1 7.503 0.001 . 1 . 148 . . 27 GLN HE21 . 18160 1 193 . 1 1 27 27 GLN HE22 H 1 6.800 0.004 . 1 . 147 . . 27 GLN HE22 . 18160 1 194 . 1 1 28 28 ALA H H 1 8.038 0.002 . 1 . 115 . . 28 ALA H . 18160 1 195 . 1 1 28 28 ALA HA H 1 4.306 0.006 . 1 . 116 . . 28 ALA HA . 18160 1 196 . 1 1 28 28 ALA HB1 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB1 . 18160 1 197 . 1 1 28 28 ALA HB2 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB2 . 18160 1 198 . 1 1 28 28 ALA HB3 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB3 . 18160 1 199 . 1 1 29 29 LYS H H 1 8.116 0.001 . 1 . 118 . . 29 LYS H . 18160 1 200 . 1 1 29 29 LYS HA H 1 4.284 0.006 . 1 . 119 . . 29 LYS HA . 18160 1 201 . 1 1 29 29 LYS HB2 H 1 1.728 0.002 . 2 . 120 . . 29 LYS HB2 . 18160 1 202 . 1 1 29 29 LYS HB3 H 1 1.831 0.002 . 2 . 121 . . 29 LYS HB3 . 18160 1 203 . 1 1 29 29 LYS HG2 H 1 1.397 0.003 . 2 . 123 . . 29 LYS HG2 . 18160 1 204 . 1 1 29 29 LYS HG3 H 1 1.461 0.001 . 2 . 122 . . 29 LYS HG3 . 18160 1 205 . 1 1 29 29 LYS HD2 H 1 1.684 0.001 . 2 . 242 . . 29 LYS HD2 . 18160 1 206 . 1 1 29 29 LYS HD3 H 1 1.731 0.001 . 2 . 243 . . 29 LYS HD3 . 18160 1 207 . 1 1 29 29 LYS HE2 H 1 3.002 0.001 . 1 . 155 . . 29 LYS HE2 . 18160 1 208 . 1 1 29 29 LYS HE3 H 1 3.002 0.001 . 1 . 156 . . 29 LYS HE3 . 18160 1 209 . 1 1 30 30 HIS H H 1 7.939 0.002 . 1 . 124 . . 30 HIS H . 18160 1 210 . 1 1 30 30 HIS HA H 1 4.465 0.001 . 1 . 125 . . 30 HIS HA . 18160 1 211 . 1 1 30 30 HIS HB2 H 1 3.073 0.002 . 2 . 127 . . 30 HIS HB2 . 18160 1 212 . 1 1 30 30 HIS HB3 H 1 3.230 0.006 . 2 . 126 . . 30 HIS HB3 . 18160 1 213 . 1 1 30 30 HIS HD2 H 1 7.171 0.001 . 1 . 237 . . 30 HIS HD2 . 18160 1 214 . 1 1 30 30 HIS HE1 H 1 8.381 0.001 . 1 . 238 . . 30 HIS HE1 . 18160 1 stop_ save_