################################### # 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 18865 _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 DQF-COSY' . . . 18865 1 2 '2D 1H-1H TOCSY' . . . 18865 1 3 '2D 1H-1H NOESY' . . . 18865 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 MET HA H 1 4.275 0.020 . 1 . . . A 1 MET HA . 18865 1 2 . 1 1 1 1 MET HB2 H 1 2.298 0.020 . 1 . . . A 1 MET HB2 . 18865 1 3 . 1 1 1 1 MET HB3 H 1 2.298 0.020 . 1 . . . A 1 MET HB3 . 18865 1 4 . 1 1 1 1 MET HG2 H 1 2.723 0.020 . 1 . . . A 1 MET HG2 . 18865 1 5 . 1 1 1 1 MET HG3 H 1 2.723 0.020 . 1 . . . A 1 MET HG3 . 18865 1 6 . 1 1 2 2 ARG H H 1 8.772 0.020 . 1 . . . A 2 ARG H . 18865 1 7 . 1 1 2 2 ARG HA H 1 4.502 0.020 . 1 . . . A 2 ARG HA . 18865 1 8 . 1 1 2 2 ARG HB2 H 1 1.877 0.020 . 1 . . . A 2 ARG HB2 . 18865 1 9 . 1 1 2 2 ARG HB3 H 1 1.939 0.020 . 1 . . . A 2 ARG HB3 . 18865 1 10 . 1 1 2 2 ARG HG2 H 1 1.767 0.020 . 1 . . . A 2 ARG HG2 . 18865 1 11 . 1 1 2 2 ARG HG3 H 1 1.767 0.020 . 1 . . . A 2 ARG HG3 . 18865 1 12 . 1 1 2 2 ARG HD2 H 1 3.329 0.020 . 1 . . . A 2 ARG HD2 . 18865 1 13 . 1 1 2 2 ARG HD3 H 1 3.329 0.020 . 1 . . . A 2 ARG HD3 . 18865 1 14 . 1 1 2 2 ARG HE H 1 7.374 0.020 . 1 . . . A 2 ARG HE . 18865 1 15 . 1 1 3 3 LYS H H 1 8.381 0.020 . 1 . . . A 3 LYS H . 18865 1 16 . 1 1 3 3 LYS HA H 1 4.376 0.020 . 1 . . . A 3 LYS HA . 18865 1 17 . 1 1 3 3 LYS HB2 H 1 1.798 0.020 . 1 . . . A 3 LYS HB2 . 18865 1 18 . 1 1 3 3 LYS HB3 H 1 1.798 0.020 . 1 . . . A 3 LYS HB3 . 18865 1 19 . 1 1 3 3 LYS HG2 H 1 1.485 0.020 . 1 . . . A 3 LYS HG2 . 18865 1 20 . 1 1 3 3 LYS HG3 H 1 1.485 0.020 . 1 . . . A 3 LYS HG3 . 18865 1 21 . 1 1 3 3 LYS HD2 H 1 1.548 0.020 . 1 . . . A 3 LYS HD2 . 18865 1 22 . 1 1 3 3 LYS HD3 H 1 1.548 0.020 . 1 . . . A 3 LYS HD3 . 18865 1 23 . 1 1 3 3 LYS HE2 H 1 3.095 0.020 . 1 . . . A 3 LYS HE2 . 18865 1 24 . 1 1 3 3 LYS HE3 H 1 3.095 0.020 . 1 . . . A 3 LYS HE3 . 18865 1 25 . 1 1 4 4 HIS H H 1 8.521 0.020 . 1 . . . A 4 HIS H . 18865 1 26 . 1 1 4 4 HIS HA H 1 4.861 0.020 . 1 . . . A 4 HIS HA . 18865 1 27 . 1 1 4 4 HIS HB2 H 1 3.297 0.020 . 1 . . . A 4 HIS HB2 . 18865 1 28 . 1 1 4 4 HIS HB3 H 1 3.385 0.020 . 1 . . . A 4 HIS HB3 . 18865 1 29 . 1 1 4 4 HIS HD2 H 1 7.411 0.020 . 1 . . . A 4 HIS HD2 . 18865 1 30 . 1 1 4 4 HIS HE2 H 1 8.756 0.020 . 1 . . . A 4 HIS HE2 . 18865 1 31 . 1 1 5 5 LEU H H 1 8.459 0.020 . 1 . . . A 5 LEU H . 18865 1 32 . 1 1 5 5 LEU HA H 1 4.502 0.020 . 1 . . . A 5 LEU HA . 18865 1 33 . 1 1 5 5 LEU HB2 H 1 1.736 0.020 . 1 . . . A 5 LEU HB2 . 18865 1 34 . 1 1 5 5 LEU HB3 H 1 1.736 0.020 . 1 . . . A 5 LEU HB3 . 18865 1 35 . 1 1 5 5 LEU HG H 1 1.659 0.020 . 1 . . . A 5 LEU HG . 18865 1 36 . 1 1 5 5 LEU HD11 H 1 0.923 0.020 . 1 . . . A 5 LEU HD11 . 18865 1 37 . 1 1 5 5 LEU HD12 H 1 0.923 0.020 . 1 . . . A 5 LEU HD12 . 18865 1 38 . 1 1 5 5 LEU HD13 H 1 0.923 0.020 . 1 . . . A 5 LEU HD13 . 18865 1 39 . 1 1 5 5 LEU HD21 H 1 0.877 0.020 . 1 . . . A 5 LEU HD21 . 18865 1 40 . 1 1 5 5 LEU HD22 H 1 0.877 0.020 . 1 . . . A 5 LEU HD22 . 18865 1 41 . 1 1 5 5 LEU HD23 H 1 0.877 0.020 . 1 . . . A 5 LEU HD23 . 18865 1 42 . 1 1 6 6 GLY H H 1 8.393 0.020 . 1 . . . A 6 GLY H . 18865 1 43 . 1 1 6 6 GLY HA2 H 1 4.156 0.020 . 1 . . . A 6 GLY HA2 . 18865 1 44 . 1 1 6 6 GLY HA3 H 1 4.251 0.020 . 1 . . . A 6 GLY HA3 . 18865 1 45 . 1 1 7 7 GLY H H 1 8.631 0.020 . 1 . . . A 7 GLY H . 18865 1 46 . 1 1 7 7 GLY HA2 H 1 4.017 0.020 . 1 . . . A 7 GLY HA2 . 18865 1 47 . 1 1 7 7 GLY HA3 H 1 4.173 0.020 . 1 . . . A 7 GLY HA3 . 18865 1 48 . 1 1 8 8 CYS H H 1 8.819 0.020 . 1 . . . A 8 CYS H . 18865 1 49 . 1 1 8 8 CYS HA H 1 4.518 0.020 . 1 . . . A 8 CYS HA . 18865 1 50 . 1 1 8 8 CYS HB2 H 1 2.985 0.020 . 1 . . . A 8 CYS HB2 . 18865 1 51 . 1 1 8 8 CYS HB3 H 1 3.048 0.020 . 1 . . . A 8 CYS HB3 . 18865 1 52 . 1 1 9 9 TRP H H 1 8.130 0.020 . 1 . . . A 9 TRP H . 18865 1 53 . 1 1 9 9 TRP HA H 1 4.440 0.020 . 1 . . . A 9 TRP HA . 18865 1 54 . 1 1 9 9 TRP HB2 H 1 3.376 0.020 . 1 . . . A 9 TRP HB2 . 18865 1 55 . 1 1 9 9 TRP HB3 H 1 3.423 0.020 . 1 . . . A 9 TRP HB3 . 18865 1 56 . 1 1 9 9 TRP HD1 H 1 7.506 0.020 . 1 . . . A 9 TRP HD1 . 18865 1 57 . 1 1 9 9 TRP HE1 H 1 10.243 0.020 . 1 . . . A 9 TRP HE1 . 18865 1 58 . 1 1 9 9 TRP HE3 H 1 7.115 0.020 . 1 . . . A 9 TRP HE3 . 18865 1 59 . 1 1 9 9 TRP HZ2 H 1 7.111 0.020 . 1 . . . A 9 TRP HZ2 . 18865 1 60 . 1 1 9 9 TRP HZ3 H 1 7.504 0.020 . 1 . . . A 9 TRP HZ3 . 18865 1 61 . 1 1 9 9 TRP HH2 H 1 6.957 0.020 . 1 . . . A 9 TRP HH2 . 18865 1 62 . 1 1 10 10 LEU H H 1 7.752 0.020 . 1 . . . A 10 LEU H . 18865 1 63 . 1 1 10 10 LEU HA H 1 4.017 0.020 . 1 . . . A 10 LEU HA . 18865 1 64 . 1 1 10 10 LEU HB2 H 1 1.640 0.020 . 1 . . . A 10 LEU HB2 . 18865 1 65 . 1 1 10 10 LEU HB3 H 1 1.767 0.020 . 1 . . . A 10 LEU HB3 . 18865 1 66 . 1 1 10 10 LEU HG H 1 1.559 0.020 . 1 . . . A 10 LEU HG . 18865 1 67 . 1 1 10 10 LEU HD11 H 1 0.981 0.020 . 1 . . . A 10 LEU HD11 . 18865 1 68 . 1 1 10 10 LEU HD12 H 1 0.981 0.020 . 1 . . . A 10 LEU HD12 . 18865 1 69 . 1 1 10 10 LEU HD13 H 1 0.981 0.020 . 1 . . . A 10 LEU HD13 . 18865 1 70 . 1 1 11 11 ALA H H 1 7.864 0.020 . 1 . . . A 11 ALA H . 18865 1 71 . 1 1 11 11 ALA HA H 1 3.970 0.020 . 1 . . . A 11 ALA HA . 18865 1 72 . 1 1 11 11 ALA HB1 H 1 1.465 0.020 . 1 . . . A 11 ALA HB1 . 18865 1 73 . 1 1 11 11 ALA HB2 H 1 1.465 0.020 . 1 . . . A 11 ALA HB2 . 18865 1 74 . 1 1 11 11 ALA HB3 H 1 1.465 0.020 . 1 . . . A 11 ALA HB3 . 18865 1 75 . 1 1 12 12 ILE H H 1 7.995 0.020 . 1 . . . A 12 ILE H . 18865 1 76 . 1 1 12 12 ILE HA H 1 3.642 0.020 . 1 . . . A 12 ILE HA . 18865 1 77 . 1 1 12 12 ILE HB H 1 2.166 0.020 . 1 . . . A 12 ILE HB . 18865 1 78 . 1 1 12 12 ILE HG12 H 1 1.783 0.020 . 1 . . . A 12 ILE HG12 . 18865 1 79 . 1 1 12 12 ILE HG13 H 1 1.088 0.020 . 1 . . . A 12 ILE HG13 . 18865 1 80 . 1 1 12 12 ILE HG21 H 1 0.985 0.020 . 1 . . . A 12 ILE HG21 . 18865 1 81 . 1 1 12 12 ILE HG22 H 1 0.985 0.020 . 1 . . . A 12 ILE HG22 . 18865 1 82 . 1 1 12 12 ILE HG23 H 1 0.985 0.020 . 1 . . . A 12 ILE HG23 . 18865 1 83 . 1 1 12 12 ILE HD11 H 1 0.730 0.020 . 1 . . . A 12 ILE HD11 . 18865 1 84 . 1 1 12 12 ILE HD12 H 1 0.730 0.020 . 1 . . . A 12 ILE HD12 . 18865 1 85 . 1 1 12 12 ILE HD13 H 1 0.730 0.020 . 1 . . . A 12 ILE HD13 . 18865 1 86 . 1 1 13 13 VAL H H 1 8.256 0.020 . 1 . . . A 13 VAL H . 18865 1 87 . 1 1 13 13 VAL HA H 1 3.623 0.020 . 1 . . . A 13 VAL HA . 18865 1 88 . 1 1 13 13 VAL HB H 1 2.356 0.020 . 1 . . . A 13 VAL HB . 18865 1 89 . 1 1 13 13 VAL HG11 H 1 1.017 0.020 . 1 . . . A 13 VAL HG11 . 18865 1 90 . 1 1 13 13 VAL HG12 H 1 1.017 0.020 . 1 . . . A 13 VAL HG12 . 18865 1 91 . 1 1 13 13 VAL HG13 H 1 1.017 0.020 . 1 . . . A 13 VAL HG13 . 18865 1 92 . 1 1 13 13 VAL HG21 H 1 1.095 0.020 . 1 . . . A 13 VAL HG21 . 18865 1 93 . 1 1 13 13 VAL HG22 H 1 1.095 0.020 . 1 . . . A 13 VAL HG22 . 18865 1 94 . 1 1 13 13 VAL HG23 H 1 1.095 0.020 . 1 . . . A 13 VAL HG23 . 18865 1 95 . 1 1 14 14 CYS H H 1 8.302 0.020 . 1 . . . A 14 CYS H . 18865 1 96 . 1 1 14 14 CYS HA H 1 4.080 0.020 . 1 . . . A 14 CYS HA . 18865 1 97 . 1 1 14 14 CYS HB2 H 1 2.594 0.020 . 1 . . . A 14 CYS HB2 . 18865 1 98 . 1 1 14 14 CYS HB3 H 1 2.673 0.020 . 1 . . . A 14 CYS HB3 . 18865 1 99 . 1 1 14 14 CYS HG H 1 3.238 0.020 . 1 . . . A 14 CYS HG . 18865 1 100 . 1 1 15 15 VAL H H 1 8.239 0.020 . 1 . . . A 15 VAL H . 18865 1 101 . 1 1 15 15 VAL HA H 1 3.767 0.020 . 1 . . . A 15 VAL HA . 18865 1 102 . 1 1 15 15 VAL HB H 1 2.359 0.020 . 1 . . . A 15 VAL HB . 18865 1 103 . 1 1 15 15 VAL HG11 H 1 1.174 0.020 . 1 . . . A 15 VAL HG11 . 18865 1 104 . 1 1 15 15 VAL HG12 H 1 1.174 0.020 . 1 . . . A 15 VAL HG12 . 18865 1 105 . 1 1 15 15 VAL HG13 H 1 1.174 0.020 . 1 . . . A 15 VAL HG13 . 18865 1 106 . 1 1 15 15 VAL HG21 H 1 1.064 0.020 . 1 . . . A 15 VAL HG21 . 18865 1 107 . 1 1 15 15 VAL HG22 H 1 1.064 0.020 . 1 . . . A 15 VAL HG22 . 18865 1 108 . 1 1 15 15 VAL HG23 H 1 1.064 0.020 . 1 . . . A 15 VAL HG23 . 18865 1 109 . 1 1 16 16 LEU H H 1 8.379 0.020 . 1 . . . A 16 LEU H . 18865 1 110 . 1 1 16 16 LEU HA H 1 4.173 0.020 . 1 . . . A 16 LEU HA . 18865 1 111 . 1 1 16 16 LEU HB2 H 1 1.971 0.020 . 1 . . . A 16 LEU HB2 . 18865 1 112 . 1 1 16 16 LEU HB3 H 1 2.049 0.020 . 1 . . . A 16 LEU HB3 . 18865 1 113 . 1 1 16 16 LEU HG H 1 1.669 0.020 . 1 . . . A 16 LEU HG . 18865 1 114 . 1 1 16 16 LEU HD11 H 1 0.970 0.020 . 1 . . . A 16 LEU HD11 . 18865 1 115 . 1 1 16 16 LEU HD12 H 1 0.970 0.020 . 1 . . . A 16 LEU HD12 . 18865 1 116 . 1 1 16 16 LEU HD13 H 1 0.970 0.020 . 1 . . . A 16 LEU HD13 . 18865 1 117 . 1 1 17 17 LEU H H 1 8.568 0.020 . 1 . . . A 17 LEU H . 18865 1 118 . 1 1 17 17 LEU HA H 1 4.157 0.020 . 1 . . . A 17 LEU HA . 18865 1 119 . 1 1 17 17 LEU HB2 H 1 1.880 0.020 . 1 . . . A 17 LEU HB2 . 18865 1 120 . 1 1 17 17 LEU HB3 H 1 1.880 0.020 . 1 . . . A 17 LEU HB3 . 18865 1 121 . 1 1 17 17 LEU HG H 1 1.605 0.020 . 1 . . . A 17 LEU HG . 18865 1 122 . 1 1 17 17 LEU HD11 H 1 0.923 0.020 . 1 . . . A 17 LEU HD11 . 18865 1 123 . 1 1 17 17 LEU HD12 H 1 0.923 0.020 . 1 . . . A 17 LEU HD12 . 18865 1 124 . 1 1 17 17 LEU HD13 H 1 0.923 0.020 . 1 . . . A 17 LEU HD13 . 18865 1 125 . 1 1 17 17 LEU HD21 H 1 0.890 0.020 . 1 . . . A 17 LEU HD21 . 18865 1 126 . 1 1 17 17 LEU HD22 H 1 0.890 0.020 . 1 . . . A 17 LEU HD22 . 18865 1 127 . 1 1 17 17 LEU HD23 H 1 0.890 0.020 . 1 . . . A 17 LEU HD23 . 18865 1 128 . 1 1 18 18 PHE H H 1 8.632 0.020 . 1 . . . A 18 PHE H . 18865 1 129 . 1 1 18 18 PHE HA H 1 4.361 0.020 . 1 . . . A 18 PHE HA . 18865 1 130 . 1 1 18 18 PHE HB2 H 1 3.313 0.020 . 1 . . . A 18 PHE HB2 . 18865 1 131 . 1 1 18 18 PHE HB3 H 1 3.313 0.020 . 1 . . . A 18 PHE HB3 . 18865 1 132 . 1 1 18 18 PHE HD1 H 1 7.302 0.020 . 1 . . . A 18 PHE HD1 . 18865 1 133 . 1 1 18 18 PHE HD2 H 1 7.302 0.020 . 1 . . . A 18 PHE HD2 . 18865 1 134 . 1 1 18 18 PHE HE1 H 1 7.255 0.020 . 1 . . . A 18 PHE HE1 . 18865 1 135 . 1 1 18 18 PHE HE2 H 1 7.255 0.020 . 1 . . . A 18 PHE HE2 . 18865 1 136 . 1 1 18 18 PHE HZ H 1 6.998 0.020 . 1 . . . A 18 PHE HZ . 18865 1 137 . 1 1 19 19 SER H H 1 8.427 0.020 . 1 . . . A 19 SER H . 18865 1 138 . 1 1 19 19 SER HA H 1 4.298 0.020 . 1 . . . A 19 SER HA . 18865 1 139 . 1 1 19 19 SER HB2 H 1 4.079 0.020 . 1 . . . A 19 SER HB2 . 18865 1 140 . 1 1 19 19 SER HB3 H 1 4.173 0.020 . 1 . . . A 19 SER HB3 . 18865 1 141 . 1 1 20 20 GLN H H 1 7.974 0.020 . 1 . . . A 20 GLN H . 18865 1 142 . 1 1 20 20 GLN HA H 1 4.407 0.020 . 1 . . . A 20 GLN HA . 18865 1 143 . 1 1 20 20 GLN HB2 H 1 2.249 0.020 . 1 . . . A 20 GLN HB2 . 18865 1 144 . 1 1 20 20 GLN HB3 H 1 2.370 0.020 . 1 . . . A 20 GLN HB3 . 18865 1 145 . 1 1 20 20 GLN HG2 H 1 2.459 0.020 . 1 . . . A 20 GLN HG2 . 18865 1 146 . 1 1 20 20 GLN HG3 H 1 2.605 0.020 . 1 . . . A 20 GLN HG3 . 18865 1 147 . 1 1 20 20 GLN HE21 H 1 6.876 0.020 . 1 . . . A 20 GLN HE21 . 18865 1 148 . 1 1 20 20 GLN HE22 H 1 7.342 0.020 . 1 . . . A 20 GLN HE22 . 18865 1 149 . 1 1 21 21 LEU H H 1 8.125 0.020 . 1 . . . A 21 LEU H . 18865 1 150 . 1 1 21 21 LEU HA H 1 4.297 0.020 . 1 . . . A 21 LEU HA . 18865 1 151 . 1 1 21 21 LEU HB2 H 1 1.908 0.020 . 1 . . . A 21 LEU HB2 . 18865 1 152 . 1 1 21 21 LEU HB3 H 1 1.965 0.020 . 1 . . . A 21 LEU HB3 . 18865 1 153 . 1 1 21 21 LEU HG H 1 1.695 0.020 . 1 . . . A 21 LEU HG . 18865 1 154 . 1 1 21 21 LEU HD21 H 1 0.969 0.020 . 1 . . . A 21 LEU HD21 . 18865 1 155 . 1 1 21 21 LEU HD22 H 1 0.969 0.020 . 1 . . . A 21 LEU HD22 . 18865 1 156 . 1 1 21 21 LEU HD23 H 1 0.969 0.020 . 1 . . . A 21 LEU HD23 . 18865 1 157 . 1 1 22 22 SER H H 1 8.130 0.020 . 1 . . . A 22 SER H . 18865 1 158 . 1 1 22 22 SER HA H 1 4.340 0.020 . 1 . . . A 22 SER HA . 18865 1 159 . 1 1 22 22 SER HB2 H 1 3.930 0.020 . 1 . . . A 22 SER HB2 . 18865 1 160 . 1 1 22 22 SER HB3 H 1 4.024 0.020 . 1 . . . A 22 SER HB3 . 18865 1 161 . 1 1 23 23 SER H H 1 7.952 0.020 . 1 . . . A 23 SER H . 18865 1 162 . 1 1 23 23 SER HA H 1 4.533 0.020 . 1 . . . A 23 SER HA . 18865 1 163 . 1 1 23 23 SER HB2 H 1 4.080 0.020 . 1 . . . A 23 SER HB2 . 18865 1 164 . 1 1 23 23 SER HB3 H 1 4.111 0.020 . 1 . . . A 23 SER HB3 . 18865 1 165 . 1 1 24 24 VAL H H 1 7.849 0.020 . 1 . . . A 24 VAL H . 18865 1 166 . 1 1 24 24 VAL HA H 1 4.079 0.020 . 1 . . . A 24 VAL HA . 18865 1 167 . 1 1 24 24 VAL HB H 1 2.314 0.020 . 1 . . . A 24 VAL HB . 18865 1 168 . 1 1 24 24 VAL HG11 H 1 1.127 0.020 . 1 . . . A 24 VAL HG11 . 18865 1 169 . 1 1 24 24 VAL HG12 H 1 1.127 0.020 . 1 . . . A 24 VAL HG12 . 18865 1 170 . 1 1 24 24 VAL HG13 H 1 1.127 0.020 . 1 . . . A 24 VAL HG13 . 18865 1 171 . 1 1 24 24 VAL HG21 H 1 1.066 0.020 . 1 . . . A 24 VAL HG21 . 18865 1 172 . 1 1 24 24 VAL HG22 H 1 1.066 0.020 . 1 . . . A 24 VAL HG22 . 18865 1 173 . 1 1 24 24 VAL HG23 H 1 1.066 0.020 . 1 . . . A 24 VAL HG23 . 18865 1 174 . 1 1 25 25 LYS H H 1 8.115 0.020 . 1 . . . A 25 LYS H . 18865 1 175 . 1 1 25 25 LYS HA H 1 4.345 0.020 . 1 . . . A 25 LYS HA . 18865 1 176 . 1 1 25 25 LYS HB2 H 1 1.922 0.020 . 1 . . . A 25 LYS HB2 . 18865 1 177 . 1 1 25 25 LYS HB3 H 1 2.000 0.020 . 1 . . . A 25 LYS HB3 . 18865 1 178 . 1 1 25 25 LYS HG2 H 1 1.565 0.020 . 1 . . . A 25 LYS HG2 . 18865 1 179 . 1 1 25 25 LYS HG3 H 1 1.611 0.020 . 1 . . . A 25 LYS HG3 . 18865 1 180 . 1 1 25 25 LYS HD3 H 1 1.810 0.020 . 1 . . . A 25 LYS HD3 . 18865 1 181 . 1 1 25 25 LYS HE2 H 1 3.127 0.020 . 1 . . . A 25 LYS HE2 . 18865 1 182 . 1 1 25 25 LYS HE3 H 1 3.127 0.020 . 1 . . . A 25 LYS HE3 . 18865 1 183 . 1 1 25 25 LYS HZ1 H 1 7.608 0.020 . 1 . . . A 25 LYS HZ1 . 18865 1 184 . 1 1 25 25 LYS HZ2 H 1 7.608 0.020 . 1 . . . A 25 LYS HZ2 . 18865 1 185 . 1 1 25 25 LYS HZ3 H 1 7.608 0.020 . 1 . . . A 25 LYS HZ3 . 18865 1 186 . 1 1 26 26 ALA H H 1 8.052 0.020 . 1 . . . A 26 ALA H . 18865 1 187 . 1 1 26 26 ALA HA H 1 4.407 0.020 . 1 . . . A 26 ALA HA . 18865 1 188 . 1 1 26 26 ALA HB1 H 1 1.563 0.020 . 1 . . . A 26 ALA HB1 . 18865 1 189 . 1 1 26 26 ALA HB2 H 1 1.563 0.020 . 1 . . . A 26 ALA HB2 . 18865 1 190 . 1 1 26 26 ALA HB3 H 1 1.563 0.020 . 1 . . . A 26 ALA HB3 . 18865 1 191 . 1 1 27 27 ARG H H 1 8.053 0.020 . 1 . . . A 27 ARG H . 18865 1 192 . 1 1 27 27 ARG HA H 1 4.438 0.020 . 1 . . . A 27 ARG HA . 18865 1 193 . 1 1 27 27 ARG HB2 H 1 1.862 0.020 . 1 . . . A 27 ARG HB2 . 18865 1 194 . 1 1 27 27 ARG HB3 H 1 1.814 0.020 . 1 . . . A 27 ARG HB3 . 18865 1 195 . 1 1 27 27 ARG HG2 H 1 1.956 0.020 . 1 . . . A 27 ARG HG2 . 18865 1 196 . 1 1 27 27 ARG HG3 H 1 2.049 0.020 . 1 . . . A 27 ARG HG3 . 18865 1 197 . 1 1 27 27 ARG HD2 H 1 3.344 0.020 . 1 . . . A 27 ARG HD2 . 18865 1 198 . 1 1 27 27 ARG HD3 H 1 3.344 0.020 . 1 . . . A 27 ARG HD3 . 18865 1 199 . 1 1 27 27 ARG HE H 1 7.334 0.020 . 1 . . . A 27 ARG HE . 18865 1 200 . 1 1 28 28 GLY H H 1 8.255 0.020 . 1 . . . A 28 GLY H . 18865 1 201 . 1 1 28 28 GLY HA2 H 1 4.079 0.020 . 1 . . . A 28 GLY HA2 . 18865 1 202 . 1 1 28 28 GLY HA3 H 1 4.437 0.020 . 1 . . . A 28 GLY HA3 . 18865 1 203 . 1 1 29 29 ILE H H 1 7.863 0.020 . 1 . . . A 29 ILE H . 18865 1 204 . 1 1 29 29 ILE HA H 1 4.316 0.020 . 1 . . . A 29 ILE HA . 18865 1 205 . 1 1 29 29 ILE HB H 1 2.000 0.020 . 1 . . . A 29 ILE HB . 18865 1 206 . 1 1 29 29 ILE HG12 H 1 1.595 0.020 . 1 . . . A 29 ILE HG12 . 18865 1 207 . 1 1 29 29 ILE HG13 H 1 1.297 0.020 . 1 . . . A 29 ILE HG13 . 18865 1 208 . 1 1 29 29 ILE HG21 H 1 1.048 0.020 . 1 . . . A 29 ILE HG21 . 18865 1 209 . 1 1 29 29 ILE HG22 H 1 1.048 0.020 . 1 . . . A 29 ILE HG22 . 18865 1 210 . 1 1 29 29 ILE HG23 H 1 1.048 0.020 . 1 . . . A 29 ILE HG23 . 18865 1 211 . 1 1 29 29 ILE HD11 H 1 0.985 0.020 . 1 . . . A 29 ILE HD11 . 18865 1 212 . 1 1 29 29 ILE HD12 H 1 0.985 0.020 . 1 . . . A 29 ILE HD12 . 18865 1 213 . 1 1 29 29 ILE HD13 H 1 0.985 0.020 . 1 . . . A 29 ILE HD13 . 18865 1 214 . 1 1 30 30 LYS H H 1 8.298 0.020 . 1 . . . A 30 LYS H . 18865 1 215 . 1 1 30 30 LYS HA H 1 4.454 0.020 . 1 . . . A 30 LYS HA . 18865 1 216 . 1 1 30 30 LYS HB2 H 1 1.904 0.020 . 1 . . . A 30 LYS HB2 . 18865 1 217 . 1 1 30 30 LYS HB3 H 1 1.999 0.020 . 1 . . . A 30 LYS HB3 . 18865 1 218 . 1 1 30 30 LYS HG2 H 1 1.544 0.020 . 1 . . . A 30 LYS HG2 . 18865 1 219 . 1 1 30 30 LYS HG3 H 1 1.590 0.020 . 1 . . . A 30 LYS HG3 . 18865 1 220 . 1 1 30 30 LYS HD2 H 1 1.810 0.020 . 1 . . . A 30 LYS HD2 . 18865 1 221 . 1 1 30 30 LYS HD3 H 1 1.810 0.020 . 1 . . . A 30 LYS HD3 . 18865 1 222 . 1 1 30 30 LYS HE2 H 1 3.130 0.020 . 1 . . . A 30 LYS HE2 . 18865 1 223 . 1 1 30 30 LYS HE3 H 1 3.130 0.020 . 1 . . . A 30 LYS HE3 . 18865 1 224 . 1 1 30 30 LYS HZ1 H 1 7.611 0.020 . 1 . . . A 30 LYS HZ1 . 18865 1 225 . 1 1 30 30 LYS HZ2 H 1 7.611 0.020 . 1 . . . A 30 LYS HZ2 . 18865 1 226 . 1 1 30 30 LYS HZ3 H 1 7.611 0.020 . 1 . . . A 30 LYS HZ3 . 18865 1 stop_ save_