################################### # 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 36266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.0 _Assigned_chem_shift_list.Chem_shift_15N_err 0.0 _Assigned_chem_shift_list.Chem_shift_31P_err 0.0 _Assigned_chem_shift_list.Chem_shift_2H_err 0.0 _Assigned_chem_shift_list.Chem_shift_19F_err 0.0 _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 TOCSY' 1 $sample_1 isotropic 36266 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36266 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 1 1 VAL HA H 1 3.755 0.000 . 1 . . . . A 1 VAL HA . 36266 1 2 . 1 . 1 2 2 ALA H H 1 8.666 0.002 . 1 . . . . A 2 ALA H . 36266 1 3 . 1 . 1 2 2 ALA HA H 1 4.297 0.001 . 1 . . . . A 2 ALA HA . 36266 1 4 . 1 . 1 2 2 ALA HB1 H 1 1.296 0.001 . 1 . . . . A 2 ALA HB1 . 36266 1 5 . 1 . 1 2 2 ALA HB2 H 1 1.296 0.001 . 1 . . . . A 2 ALA HB2 . 36266 1 6 . 1 . 1 2 2 ALA HB3 H 1 1.296 0.001 . 1 . . . . A 2 ALA HB3 . 36266 1 7 . 1 . 1 3 3 ARG H H 1 8.420 0.002 . 1 . . . . A 3 ARG H . 36266 1 8 . 1 . 1 3 3 ARG HA H 1 4.176 0.001 . 1 . . . . A 3 ARG HA . 36266 1 9 . 1 . 1 3 3 ARG HB2 H 1 1.766 0.000 . 2 . . . . A 3 ARG HB2 . 36266 1 10 . 1 . 1 3 3 ARG HB3 H 1 1.766 0.000 . 2 . . . . A 3 ARG HB3 . 36266 1 11 . 1 . 1 3 3 ARG HG2 H 1 1.629 0.001 . 2 . . . . A 3 ARG HG2 . 36266 1 12 . 1 . 1 3 3 ARG HG3 H 1 1.629 0.001 . 2 . . . . A 3 ARG HG3 . 36266 1 13 . 1 . 1 3 3 ARG HD2 H 1 3.136 0.000 . 2 . . . . A 3 ARG HD2 . 36266 1 14 . 1 . 1 3 3 ARG HD3 H 1 3.136 0.000 . 2 . . . . A 3 ARG HD3 . 36266 1 15 . 1 . 1 4 4 GLY H H 1 8.503 0.008 . 1 . . . . A 4 GLY H . 36266 1 16 . 1 . 1 4 4 GLY HA2 H 1 3.935 0.001 . 1 . . . . A 4 GLY HA2 . 36266 1 17 . 1 . 1 4 4 GLY HA3 H 1 3.935 0.001 . 1 . . . . A 4 GLY HA3 . 36266 1 18 . 1 . 1 5 5 TRP H H 1 7.996 0.006 . 1 . . . . A 5 TRP H . 36266 1 19 . 1 . 1 5 5 TRP HA H 1 4.602 0.002 . 1 . . . . A 5 TRP HA . 36266 1 20 . 1 . 1 5 5 TRP HB2 H 1 3.265 0.003 . 2 . . . . A 5 TRP HB2 . 36266 1 21 . 1 . 1 5 5 TRP HB3 H 1 3.265 0.003 . 2 . . . . A 5 TRP HB3 . 36266 1 22 . 1 . 1 5 5 TRP HD1 H 1 7.260 0.006 . 1 . . . . A 5 TRP HD1 . 36266 1 23 . 1 . 1 5 5 TRP HE1 H 1 10.144 0.003 . 1 . . . . A 5 TRP HE1 . 36266 1 24 . 1 . 1 5 5 TRP HE3 H 1 7.573 0.004 . 1 . . . . A 5 TRP HE3 . 36266 1 25 . 1 . 1 5 5 TRP HZ2 H 1 7.400 0.002 . 1 . . . . A 5 TRP HZ2 . 36266 1 26 . 1 . 1 6 6 LYS H H 1 8.023 0.001 . 1 . . . . A 6 LYS H . 36266 1 27 . 1 . 1 6 6 LYS HA H 1 4.134 0.008 . 1 . . . . A 6 LYS HA . 36266 1 28 . 1 . 1 6 6 LYS HB2 H 1 1.676 0.004 . 2 . . . . A 6 LYS HB2 . 36266 1 29 . 1 . 1 6 6 LYS HB3 H 1 1.676 0.004 . 2 . . . . A 6 LYS HB3 . 36266 1 30 . 1 . 1 6 6 LYS HG2 H 1 1.555 0.000 . 2 . . . . A 6 LYS HG2 . 36266 1 31 . 1 . 1 6 6 LYS HG3 H 1 1.555 0.000 . 2 . . . . A 6 LYS HG3 . 36266 1 32 . 1 . 1 6 6 LYS HD2 H 1 1.223 0.000 . 2 . . . . A 6 LYS HD2 . 36266 1 33 . 1 . 1 6 6 LYS HD3 H 1 1.223 0.000 . 2 . . . . A 6 LYS HD3 . 36266 1 34 . 1 . 1 7 7 ARG H H 1 8.106 0.006 . 1 . . . . A 7 ARG H . 36266 1 35 . 1 . 1 7 7 ARG HA H 1 4.101 0.001 . 1 . . . . A 7 ARG HA . 36266 1 36 . 1 . 1 7 7 ARG HB2 H 1 1.779 0.000 . 2 . . . . A 7 ARG HB2 . 36266 1 37 . 1 . 1 7 7 ARG HB3 H 1 1.779 0.000 . 2 . . . . A 7 ARG HB3 . 36266 1 38 . 1 . 1 7 7 ARG HG2 H 1 1.589 0.001 . 2 . . . . A 7 ARG HG2 . 36266 1 39 . 1 . 1 7 7 ARG HG3 H 1 1.589 0.001 . 2 . . . . A 7 ARG HG3 . 36266 1 40 . 1 . 1 7 7 ARG HD2 H 1 3.108 0.006 . 2 . . . . A 7 ARG HD2 . 36266 1 41 . 1 . 1 7 7 ARG HD3 H 1 3.108 0.006 . 2 . . . . A 7 ARG HD3 . 36266 1 42 . 1 . 1 8 8 LYS H H 1 8.356 0.004 . 1 . . . . A 8 LYS H . 36266 1 43 . 1 . 1 8 8 LYS HA H 1 4.188 0.012 . 1 . . . . A 8 LYS HA . 36266 1 44 . 1 . 1 8 8 LYS HB2 H 1 1.737 0.002 . 2 . . . . A 8 LYS HB2 . 36266 1 45 . 1 . 1 8 8 LYS HB3 H 1 1.737 0.002 . 2 . . . . A 8 LYS HB3 . 36266 1 46 . 1 . 1 8 8 LYS HG2 H 1 1.405 0.057 . 2 . . . . A 8 LYS HG2 . 36266 1 47 . 1 . 1 8 8 LYS HG3 H 1 1.405 0.057 . 2 . . . . A 8 LYS HG3 . 36266 1 48 . 1 . 1 8 8 LYS HD2 H 1 1.374 0.002 . 2 . . . . A 8 LYS HD2 . 36266 1 49 . 1 . 1 8 8 LYS HD3 H 1 1.374 0.002 . 2 . . . . A 8 LYS HD3 . 36266 1 50 . 1 . 1 9 9 CYS H H 1 8.288 0.005 . 1 . . . . A 9 CYS H . 36266 1 51 . 1 . 1 9 9 CYS HA H 1 4.724 0.010 . 1 . . . . A 9 CYS HA . 36266 1 52 . 1 . 1 10 10 PRO HB2 H 1 1.284 0.000 . 2 . . . . A 10 PRO HB2 . 36266 1 53 . 1 . 1 10 10 PRO HB3 H 1 1.284 0.000 . 2 . . . . A 10 PRO HB3 . 36266 1 54 . 1 . 1 10 10 PRO HD2 H 1 3.175 0.000 . 2 . . . . A 10 PRO HD2 . 36266 1 55 . 1 . 1 10 10 PRO HD3 H 1 3.175 0.000 . 2 . . . . A 10 PRO HD3 . 36266 1 56 . 1 . 1 11 11 LEU H H 1 8.095 0.004 . 1 . . . . A 11 LEU H . 36266 1 57 . 1 . 1 11 11 LEU HA H 1 4.236 0.084 . 1 . . . . A 11 LEU HA . 36266 1 58 . 1 . 1 11 11 LEU HB2 H 1 1.815 0.036 . 2 . . . . A 11 LEU HB2 . 36266 1 59 . 1 . 1 11 11 LEU HB3 H 1 1.815 0.036 . 2 . . . . A 11 LEU HB3 . 36266 1 60 . 1 . 1 11 11 LEU HG H 1 1.582 0.005 . 1 . . . . A 11 LEU HG . 36266 1 61 . 1 . 1 11 11 LEU HD11 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD11 . 36266 1 62 . 1 . 1 11 11 LEU HD12 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD12 . 36266 1 63 . 1 . 1 11 11 LEU HD13 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD13 . 36266 1 64 . 1 . 1 11 11 LEU HD21 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD21 . 36266 1 65 . 1 . 1 11 11 LEU HD22 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD22 . 36266 1 66 . 1 . 1 11 11 LEU HD23 H 1 0.833 0.012 . 2 . . . . A 11 LEU HD23 . 36266 1 67 . 1 . 1 12 12 PHE H H 1 8.210 0.010 . 1 . . . . A 12 PHE H . 36266 1 68 . 1 . 1 12 12 PHE HA H 1 4.603 0.003 . 1 . . . . A 12 PHE HA . 36266 1 69 . 1 . 1 12 12 PHE HB2 H 1 3.182 0.035 . 1 . . . . A 12 PHE HB2 . 36266 1 70 . 1 . 1 12 12 PHE HB3 H 1 3.065 0.004 . 1 . . . . A 12 PHE HB3 . 36266 1 71 . 1 . 1 12 12 PHE HD1 H 1 7.260 0.006 . 1 . . . . A 12 PHE HD1 . 36266 1 72 . 1 . 1 12 12 PHE HD2 H 1 7.260 0.006 . 1 . . . . A 12 PHE HD2 . 36266 1 73 . 1 . 1 12 12 PHE HE1 H 1 7.176 0.006 . 1 . . . . A 12 PHE HE1 . 36266 1 74 . 1 . 1 12 12 PHE HE2 H 1 7.176 0.006 . 1 . . . . A 12 PHE HE2 . 36266 1 75 . 1 . 1 13 13 GLY H H 1 8.219 0.007 . 1 . . . . A 13 GLY H . 36266 1 76 . 1 . 1 13 13 GLY HA2 H 1 3.877 0.009 . 1 . . . . A 13 GLY HA2 . 36266 1 77 . 1 . 1 13 13 GLY HA3 H 1 3.877 0.009 . 1 . . . . A 13 GLY HA3 . 36266 1 78 . 1 . 1 14 14 LYS H H 1 8.221 0.009 . 1 . . . . A 14 LYS H . 36266 1 79 . 1 . 1 14 14 LYS HA H 1 4.264 0.004 . 1 . . . . A 14 LYS HA . 36266 1 80 . 1 . 1 14 14 LYS HB2 H 1 1.779 0.006 . 2 . . . . A 14 LYS HB2 . 36266 1 81 . 1 . 1 14 14 LYS HB3 H 1 1.779 0.006 . 2 . . . . A 14 LYS HB3 . 36266 1 82 . 1 . 1 14 14 LYS HG2 H 1 1.664 0.002 . 2 . . . . A 14 LYS HG2 . 36266 1 83 . 1 . 1 14 14 LYS HG3 H 1 1.664 0.002 . 2 . . . . A 14 LYS HG3 . 36266 1 84 . 1 . 1 14 14 LYS HD2 H 1 1.177 0.005 . 2 . . . . A 14 LYS HD2 . 36266 1 85 . 1 . 1 14 14 LYS HD3 H 1 1.177 0.005 . 2 . . . . A 14 LYS HD3 . 36266 1 86 . 1 . 1 15 15 GLY H H 1 8.405 0.002 . 1 . . . . A 15 GLY H . 36266 1 87 . 1 . 1 15 15 GLY HA2 H 1 3.930 0.013 . 1 . . . . A 15 GLY HA2 . 36266 1 88 . 1 . 1 15 15 GLY HA3 H 1 3.930 0.013 . 1 . . . . A 15 GLY HA3 . 36266 1 89 . 1 . 1 16 16 GLY H H 1 8.196 0.004 . 1 . . . . A 16 GLY H . 36266 1 90 . 1 . 1 16 16 GLY HA2 H 1 3.761 0.004 . 1 . . . . A 16 GLY HA2 . 36266 1 91 . 1 . 1 16 16 GLY HA3 H 1 3.761 0.004 . 1 . . . . A 16 GLY HA3 . 36266 1 92 . 2 . 2 1 1 LYS HA H 1 3.980 0.000 . 1 . . . . B 1 LYS HA . 36266 1 93 . 2 . 2 2 2 TYR H H 1 8.713 0.025 . 1 . . . . B 2 TYR H . 36266 1 94 . 2 . 2 2 2 TYR HA H 1 4.592 0.004 . 1 . . . . B 2 TYR HA . 36266 1 95 . 2 . 2 2 2 TYR HB2 H 1 3.025 0.000 . 2 . . . . B 2 TYR HB2 . 36266 1 96 . 2 . 2 2 2 TYR HB3 H 1 3.025 0.000 . 2 . . . . B 2 TYR HB3 . 36266 1 97 . 2 . 2 2 2 TYR HD1 H 1 7.109 0.077 . 1 . . . . B 2 TYR HD1 . 36266 1 98 . 2 . 2 2 2 TYR HD2 H 1 7.109 0.077 . 1 . . . . B 2 TYR HD2 . 36266 1 99 . 2 . 2 2 2 TYR HE1 H 1 6.823 0.002 . 1 . . . . B 2 TYR HE1 . 36266 1 100 . 2 . 2 2 2 TYR HE2 H 1 6.823 0.002 . 1 . . . . B 2 TYR HE2 . 36266 1 101 . 2 . 2 3 3 GLU H H 1 8.322 0.008 . 1 . . . . B 3 GLU H . 36266 1 102 . 2 . 2 3 3 GLU HA H 1 4.592 0.004 . 1 . . . . B 3 GLU HA . 36266 1 103 . 2 . 2 3 3 GLU HB2 H 1 1.967 0.006 . 1 . . . . B 3 GLU HB2 . 36266 1 104 . 2 . 2 3 3 GLU HB3 H 1 1.857 0.004 . 1 . . . . B 3 GLU HB3 . 36266 1 105 . 2 . 2 3 3 GLU HG2 H 1 2.233 0.007 . 1 . . . . B 3 GLU HG2 . 36266 1 106 . 2 . 2 3 3 GLU HG3 H 1 2.233 0.007 . 1 . . . . B 3 GLU HG3 . 36266 1 107 . 2 . 2 4 4 ILE H H 1 8.231 0.009 . 1 . . . . B 4 ILE H . 36266 1 108 . 2 . 2 4 4 ILE HA H 1 4.231 0.057 . 1 . . . . B 4 ILE HA . 36266 1 109 . 2 . 2 4 4 ILE HB H 1 1.862 0.000 . 1 . . . . B 4 ILE HB . 36266 1 110 . 2 . 2 4 4 ILE HG12 H 1 1.219 0.000 . 1 . . . . B 4 ILE HG12 . 36266 1 111 . 2 . 2 4 4 ILE HG13 H 1 1.219 0.000 . 1 . . . . B 4 ILE HG13 . 36266 1 112 . 2 . 2 4 4 ILE HG21 H 1 0.926 0.000 . 1 . . . . B 4 ILE HG21 . 36266 1 113 . 2 . 2 4 4 ILE HG22 H 1 0.926 0.000 . 1 . . . . B 4 ILE HG22 . 36266 1 114 . 2 . 2 4 4 ILE HG23 H 1 0.926 0.000 . 1 . . . . B 4 ILE HG23 . 36266 1 115 . 2 . 2 4 4 ILE HD11 H 1 0.862 0.005 . 1 . . . . B 4 ILE HD11 . 36266 1 116 . 2 . 2 4 4 ILE HD12 H 1 0.862 0.005 . 1 . . . . B 4 ILE HD12 . 36266 1 117 . 2 . 2 4 4 ILE HD13 H 1 0.862 0.005 . 1 . . . . B 4 ILE HD13 . 36266 1 118 . 2 . 2 5 5 THR H H 1 8.184 0.006 . 1 . . . . B 5 THR H . 36266 1 119 . 2 . 2 5 5 THR HA H 1 4.319 0.010 . 1 . . . . B 5 THR HA . 36266 1 120 . 2 . 2 5 5 THR HB H 1 4.223 0.000 . 1 . . . . B 5 THR HB . 36266 1 121 . 2 . 2 5 5 THR HG21 H 1 1.206 0.000 . 1 . . . . B 5 THR HG21 . 36266 1 122 . 2 . 2 5 5 THR HG22 H 1 1.206 0.000 . 1 . . . . B 5 THR HG22 . 36266 1 123 . 2 . 2 5 5 THR HG23 H 1 1.206 0.000 . 1 . . . . B 5 THR HG23 . 36266 1 124 . 2 . 2 6 6 THR H H 1 8.192 0.007 . 1 . . . . B 6 THR H . 36266 1 125 . 2 . 2 6 6 THR HA H 1 4.226 0.004 . 1 . . . . B 6 THR HA . 36266 1 126 . 2 . 2 6 6 THR HB H 1 4.222 0.000 . 1 . . . . B 6 THR HB . 36266 1 127 . 2 . 2 6 6 THR HG21 H 1 1.159 0.000 . 1 . . . . B 6 THR HG21 . 36266 1 128 . 2 . 2 6 6 THR HG22 H 1 1.159 0.000 . 1 . . . . B 6 THR HG22 . 36266 1 129 . 2 . 2 6 6 THR HG23 H 1 1.159 0.000 . 1 . . . . B 6 THR HG23 . 36266 1 130 . 2 . 2 7 7 ILE H H 1 8.097 0.006 . 1 . . . . B 7 ILE H . 36266 1 131 . 2 . 2 7 7 ILE HA H 1 4.100 0.001 . 1 . . . . B 7 ILE HA . 36266 1 132 . 2 . 2 7 7 ILE HB H 1 1.818 0.823 . 1 . . . . B 7 ILE HB . 36266 1 133 . 2 . 2 7 7 ILE HG12 H 1 1.141 0.005 . 1 . . . . B 7 ILE HG12 . 36266 1 134 . 2 . 2 7 7 ILE HG13 H 1 1.141 0.005 . 1 . . . . B 7 ILE HG13 . 36266 1 135 . 2 . 2 7 7 ILE HG21 H 1 0.862 0.007 . 1 . . . . B 7 ILE HG21 . 36266 1 136 . 2 . 2 7 7 ILE HG22 H 1 0.862 0.007 . 1 . . . . B 7 ILE HG22 . 36266 1 137 . 2 . 2 7 7 ILE HG23 H 1 0.862 0.007 . 1 . . . . B 7 ILE HG23 . 36266 1 138 . 2 . 2 7 7 ILE HD11 H 1 0.823 0.000 . 1 . . . . B 7 ILE HD11 . 36266 1 139 . 2 . 2 7 7 ILE HD12 H 1 0.823 0.000 . 1 . . . . B 7 ILE HD12 . 36266 1 140 . 2 . 2 7 7 ILE HD13 H 1 0.823 0.000 . 1 . . . . B 7 ILE HD13 . 36266 1 141 . 2 . 2 8 8 HIS H H 1 8.562 0.009 . 1 . . . . B 8 HIS H . 36266 1 142 . 2 . 2 8 8 HIS HA H 1 4.724 0.001 . 1 . . . . B 8 HIS HA . 36266 1 143 . 2 . 2 8 8 HIS HB2 H 1 3.257 0.001 . 1 . . . . B 8 HIS HB2 . 36266 1 144 . 2 . 2 8 8 HIS HB3 H 1 3.129 0.002 . 1 . . . . B 8 HIS HB3 . 36266 1 145 . 2 . 2 9 9 ASN H H 1 8.321 0.004 . 1 . . . . B 9 ASN H . 36266 1 146 . 2 . 2 9 9 ASN HA H 1 4.617 0.013 . 1 . . . . B 9 ASN HA . 36266 1 147 . 2 . 2 9 9 ASN HB2 H 1 2.729 0.004 . 2 . . . . B 9 ASN HB2 . 36266 1 148 . 2 . 2 9 9 ASN HB3 H 1 2.729 0.004 . 2 . . . . B 9 ASN HB3 . 36266 1 149 . 2 . 2 10 10 LEU H H 1 8.260 0.012 . 1 . . . . B 10 LEU H . 36266 1 150 . 2 . 2 10 10 LEU HA H 1 4.266 0.002 . 1 . . . . B 10 LEU HA . 36266 1 151 . 2 . 2 10 10 LEU HB2 H 1 1.619 0.000 . 2 . . . . B 10 LEU HB2 . 36266 1 152 . 2 . 2 10 10 LEU HB3 H 1 1.619 0.000 . 2 . . . . B 10 LEU HB3 . 36266 1 153 . 2 . 2 10 10 LEU HG H 1 1.425 0.005 . 1 . . . . B 10 LEU HG . 36266 1 154 . 2 . 2 10 10 LEU HD11 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD11 . 36266 1 155 . 2 . 2 10 10 LEU HD12 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD12 . 36266 1 156 . 2 . 2 10 10 LEU HD13 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD13 . 36266 1 157 . 2 . 2 10 10 LEU HD21 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD21 . 36266 1 158 . 2 . 2 10 10 LEU HD22 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD22 . 36266 1 159 . 2 . 2 10 10 LEU HD23 H 1 0.864 0.005 . 2 . . . . B 10 LEU HD23 . 36266 1 160 . 2 . 2 11 11 PHE H H 1 8.311 0.013 . 1 . . . . B 11 PHE H . 36266 1 161 . 2 . 2 11 11 PHE HA H 1 4.595 0.006 . 1 . . . . B 11 PHE HA . 36266 1 162 . 2 . 2 11 11 PHE HB2 H 1 3.063 0.011 . 1 . . . . B 11 PHE HB2 . 36266 1 163 . 2 . 2 11 11 PHE HB3 H 1 3.002 0.016 . 1 . . . . B 11 PHE HB3 . 36266 1 164 . 2 . 2 11 11 PHE HD1 H 1 7.241 0.009 . 1 . . . . B 11 PHE HD1 . 36266 1 165 . 2 . 2 11 11 PHE HD2 H 1 7.241 0.009 . 1 . . . . B 11 PHE HD2 . 36266 1 166 . 2 . 2 11 11 PHE HE1 H 1 7.210 0.012 . 1 . . . . B 11 PHE HE1 . 36266 1 167 . 2 . 2 11 11 PHE HE2 H 1 7.210 0.012 . 1 . . . . B 11 PHE HE2 . 36266 1 168 . 2 . 2 12 12 ARG H H 1 8.419 0.057 . 1 . . . . B 12 ARG H . 36266 1 169 . 2 . 2 12 12 ARG HA H 1 4.187 0.008 . 1 . . . . B 12 ARG HA . 36266 1 170 . 2 . 2 12 12 ARG HB2 H 1 1.719 0.000 . 2 . . . . B 12 ARG HB2 . 36266 1 171 . 2 . 2 12 12 ARG HB3 H 1 1.719 0.000 . 2 . . . . B 12 ARG HB3 . 36266 1 172 . 2 . 2 12 12 ARG HG2 H 1 1.626 0.000 . 2 . . . . B 12 ARG HG2 . 36266 1 173 . 2 . 2 12 12 ARG HG3 H 1 1.626 0.000 . 2 . . . . B 12 ARG HG3 . 36266 1 174 . 2 . 2 12 12 ARG HD2 H 1 3.134 0.000 . 2 . . . . B 12 ARG HD2 . 36266 1 175 . 2 . 2 12 12 ARG HD3 H 1 3.134 0.000 . 2 . . . . B 12 ARG HD3 . 36266 1 176 . 2 . 2 13 13 LYS H H 1 8.234 0.013 . 1 . . . . B 13 LYS H . 36266 1 177 . 2 . 2 13 13 LYS HA H 1 4.262 0.001 . 1 . . . . B 13 LYS HA . 36266 1 178 . 2 . 2 13 13 LYS HB2 H 1 1.690 0.000 . 2 . . . . B 13 LYS HB2 . 36266 1 179 . 2 . 2 13 13 LYS HB3 H 1 1.690 0.000 . 2 . . . . B 13 LYS HB3 . 36266 1 180 . 2 . 2 13 13 LYS HG2 H 1 1.440 0.005 . 2 . . . . B 13 LYS HG2 . 36266 1 181 . 2 . 2 13 13 LYS HG3 H 1 1.440 0.005 . 2 . . . . B 13 LYS HG3 . 36266 1 182 . 2 . 2 14 14 LEU H H 1 8.233 0.001 . 1 . . . . B 14 LEU H . 36266 1 183 . 2 . 2 14 14 LEU HA H 1 4.317 0.005 . 1 . . . . B 14 LEU HA . 36266 1 184 . 2 . 2 14 14 LEU HB2 H 1 1.631 0.003 . 2 . . . . B 14 LEU HB2 . 36266 1 185 . 2 . 2 14 14 LEU HB3 H 1 1.631 0.003 . 2 . . . . B 14 LEU HB3 . 36266 1 186 . 2 . 2 14 14 LEU HG H 1 1.439 0.004 . 1 . . . . B 14 LEU HG . 36266 1 187 . 2 . 2 14 14 LEU HD11 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD11 . 36266 1 188 . 2 . 2 14 14 LEU HD12 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD12 . 36266 1 189 . 2 . 2 14 14 LEU HD13 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD13 . 36266 1 190 . 2 . 2 14 14 LEU HD21 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD21 . 36266 1 191 . 2 . 2 14 14 LEU HD22 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD22 . 36266 1 192 . 2 . 2 14 14 LEU HD23 H 1 0.843 0.006 . 2 . . . . B 14 LEU HD23 . 36266 1 193 . 2 . 2 15 15 THR H H 1 8.141 0.008 . 1 . . . . B 15 THR H . 36266 1 194 . 2 . 2 15 15 THR HA H 1 4.216 0.004 . 1 . . . . B 15 THR HA . 36266 1 195 . 2 . 2 15 15 THR HB H 1 4.162 0.010 . 1 . . . . B 15 THR HB . 36266 1 196 . 2 . 2 15 15 THR HG21 H 1 1.163 0.002 . 1 . . . . B 15 THR HG21 . 36266 1 197 . 2 . 2 15 15 THR HG22 H 1 1.163 0.002 . 1 . . . . B 15 THR HG22 . 36266 1 198 . 2 . 2 15 15 THR HG23 H 1 1.163 0.002 . 1 . . . . B 15 THR HG23 . 36266 1 199 . 2 . 2 16 16 HIS H H 1 8.403 0.012 . 1 . . . . B 16 HIS H . 36266 1 200 . 2 . 2 16 16 HIS HA H 1 4.717 0.001 . 1 . . . . B 16 HIS HA . 36266 1 201 . 2 . 2 16 16 HIS HB2 H 1 3.257 0.001 . 1 . . . . B 16 HIS HB2 . 36266 1 202 . 2 . 2 16 16 HIS HB3 H 1 3.129 0.002 . 1 . . . . B 16 HIS HB3 . 36266 1 203 . 2 . 2 17 17 ARG H H 1 8.323 0.007 . 1 . . . . B 17 ARG H . 36266 1 204 . 2 . 2 17 17 ARG HA H 1 4.182 0.000 . 1 . . . . B 17 ARG HA . 36266 1 205 . 2 . 2 17 17 ARG HB2 H 1 1.718 0.002 . 2 . . . . B 17 ARG HB2 . 36266 1 206 . 2 . 2 17 17 ARG HB3 H 1 1.718 0.002 . 2 . . . . B 17 ARG HB3 . 36266 1 207 . 2 . 2 17 17 ARG HG2 H 1 1.430 0.002 . 2 . . . . B 17 ARG HG2 . 36266 1 208 . 2 . 2 17 17 ARG HG3 H 1 1.430 0.002 . 2 . . . . B 17 ARG HG3 . 36266 1 209 . 2 . 2 17 17 ARG HD2 H 1 3.134 0.000 . 2 . . . . B 17 ARG HD2 . 36266 1 210 . 2 . 2 17 17 ARG HD3 H 1 3.134 0.000 . 2 . . . . B 17 ARG HD3 . 36266 1 211 . 2 . 2 18 18 LEU H H 1 8.242 0.002 . 1 . . . . B 18 LEU H . 36266 1 212 . 2 . 2 18 18 LEU HA H 1 4.285 0.004 . 1 . . . . B 18 LEU HA . 36266 1 213 . 2 . 2 18 18 LEU HB2 H 1 1.665 0.034 . 2 . . . . B 18 LEU HB2 . 36266 1 214 . 2 . 2 18 18 LEU HB3 H 1 1.665 0.034 . 2 . . . . B 18 LEU HB3 . 36266 1 215 . 2 . 2 18 18 LEU HG H 1 1.563 0.000 . 1 . . . . B 18 LEU HG . 36266 1 216 . 2 . 2 18 18 LEU HD11 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD11 . 36266 1 217 . 2 . 2 18 18 LEU HD12 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD12 . 36266 1 218 . 2 . 2 18 18 LEU HD13 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD13 . 36266 1 219 . 2 . 2 18 18 LEU HD21 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD21 . 36266 1 220 . 2 . 2 18 18 LEU HD22 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD22 . 36266 1 221 . 2 . 2 18 18 LEU HD23 H 1 0.895 0.000 . 2 . . . . B 18 LEU HD23 . 36266 1 222 . 2 . 2 19 19 PHE H H 1 8.306 0.007 . 1 . . . . B 19 PHE H . 36266 1 223 . 2 . 2 19 19 PHE HA H 1 4.606 0.003 . 1 . . . . B 19 PHE HA . 36266 1 224 . 2 . 2 19 19 PHE HB2 H 1 3.061 0.001 . 1 . . . . B 19 PHE HB2 . 36266 1 225 . 2 . 2 19 19 PHE HB3 H 1 2.998 0.011 . 1 . . . . B 19 PHE HB3 . 36266 1 226 . 2 . 2 19 19 PHE HD1 H 1 7.181 0.003 . 1 . . . . B 19 PHE HD1 . 36266 1 227 . 2 . 2 19 19 PHE HD2 H 1 7.181 0.003 . 1 . . . . B 19 PHE HD2 . 36266 1 228 . 2 . 2 19 19 PHE HE1 H 1 7.212 0.012 . 1 . . . . B 19 PHE HE1 . 36266 1 229 . 2 . 2 19 19 PHE HE2 H 1 7.212 0.012 . 1 . . . . B 19 PHE HE2 . 36266 1 230 . 2 . 2 20 20 ARG H H 1 8.086 0.013 . 1 . . . . B 20 ARG H . 36266 1 231 . 2 . 2 20 20 ARG HA H 1 4.264 0.001 . 1 . . . . B 20 ARG HA . 36266 1 232 . 2 . 2 20 20 ARG HB2 H 1 1.703 0.000 . 2 . . . . B 20 ARG HB2 . 36266 1 233 . 2 . 2 20 20 ARG HB3 H 1 1.703 0.000 . 2 . . . . B 20 ARG HB3 . 36266 1 234 . 2 . 2 20 20 ARG HG2 H 1 1.563 0.004 . 2 . . . . B 20 ARG HG2 . 36266 1 235 . 2 . 2 20 20 ARG HG3 H 1 1.563 0.004 . 2 . . . . B 20 ARG HG3 . 36266 1 236 . 2 . 2 20 20 ARG HD2 H 1 3.137 0.000 . 2 . . . . B 20 ARG HD2 . 36266 1 237 . 2 . 2 20 20 ARG HD3 H 1 3.137 0.000 . 2 . . . . B 20 ARG HD3 . 36266 1 238 . 2 . 2 21 21 ARG H H 1 8.268 0.007 . 1 . . . . B 21 ARG H . 36266 1 239 . 2 . 2 21 21 ARG HA H 1 4.180 0.000 . 1 . . . . B 21 ARG HA . 36266 1 240 . 2 . 2 21 21 ARG HB2 H 1 1.698 0.005 . 2 . . . . B 21 ARG HB2 . 36266 1 241 . 2 . 2 21 21 ARG HB3 H 1 1.698 0.005 . 2 . . . . B 21 ARG HB3 . 36266 1 242 . 2 . 2 21 21 ARG HG2 H 1 1.432 0.001 . 2 . . . . B 21 ARG HG2 . 36266 1 243 . 2 . 2 21 21 ARG HG3 H 1 1.432 0.001 . 2 . . . . B 21 ARG HG3 . 36266 1 244 . 2 . 2 21 21 ARG HD2 H 1 3.132 0.000 . 2 . . . . B 21 ARG HD2 . 36266 1 245 . 2 . 2 21 21 ARG HD3 H 1 3.132 0.000 . 2 . . . . B 21 ARG HD3 . 36266 1 246 . 2 . 2 22 22 ASN H H 1 8.392 0.010 . 1 . . . . B 22 ASN H . 36266 1 247 . 2 . 2 22 22 ASN HA H 1 4.624 0.001 . 1 . . . . B 22 ASN HA . 36266 1 248 . 2 . 2 22 22 ASN HB2 H 1 2.723 0.004 . 1 . . . . B 22 ASN HB2 . 36266 1 249 . 2 . 2 22 22 ASN HB3 H 1 2.723 0.004 . 1 . . . . B 22 ASN HB3 . 36266 1 250 . 2 . 2 23 23 PHE H H 1 8.221 0.004 . 1 . . . . B 23 PHE H . 36266 1 251 . 2 . 2 23 23 PHE HA H 1 4.573 0.001 . 1 . . . . B 23 PHE HA . 36266 1 252 . 2 . 2 23 23 PHE HB2 H 1 3.065 0.004 . 1 . . . . B 23 PHE HB2 . 36266 1 253 . 2 . 2 23 23 PHE HB3 H 1 2.939 0.003 . 1 . . . . B 23 PHE HB3 . 36266 1 254 . 2 . 2 23 23 PHE HD1 H 1 7.218 0.008 . 1 . . . . B 23 PHE HD1 . 36266 1 255 . 2 . 2 23 23 PHE HD2 H 1 7.218 0.008 . 1 . . . . B 23 PHE HD2 . 36266 1 256 . 2 . 2 23 23 PHE HE1 H 1 7.236 0.008 . 1 . . . . B 23 PHE HE1 . 36266 1 257 . 2 . 2 23 23 PHE HE2 H 1 7.236 0.008 . 1 . . . . B 23 PHE HE2 . 36266 1 258 . 2 . 2 24 24 GLY H H 1 8.195 0.004 . 1 . . . . B 24 GLY H . 36266 1 259 . 2 . 2 24 24 GLY HA2 H 1 3.759 0.007 . 1 . . . . B 24 GLY HA2 . 36266 1 260 . 2 . 2 24 24 GLY HA3 H 1 3.759 0.007 . 1 . . . . B 24 GLY HA3 . 36266 1 261 . 2 . 2 25 25 TYR H H 1 8.016 0.007 . 1 . . . . B 25 TYR H . 36266 1 262 . 2 . 2 25 25 TYR HA H 1 4.669 0.000 . 1 . . . . B 25 TYR HA . 36266 1 263 . 2 . 2 25 25 TYR HB2 H 1 3.057 0.004 . 1 . . . . B 25 TYR HB2 . 36266 1 264 . 2 . 2 25 25 TYR HB3 H 1 2.957 0.007 . 1 . . . . B 25 TYR HB3 . 36266 1 265 . 2 . 2 25 25 TYR HD1 H 1 7.109 0.012 . 1 . . . . B 25 TYR HD1 . 36266 1 266 . 2 . 2 25 25 TYR HD2 H 1 7.109 0.012 . 1 . . . . B 25 TYR HD2 . 36266 1 267 . 2 . 2 25 25 TYR HE1 H 1 6.826 0.007 . 1 . . . . B 25 TYR HE1 . 36266 1 268 . 2 . 2 25 25 TYR HE2 H 1 6.826 0.007 . 1 . . . . B 25 TYR HE2 . 36266 1 269 . 2 . 2 26 26 THR H H 1 8.174 0.007 . 1 . . . . B 26 THR H . 36266 1 270 . 2 . 2 26 26 THR HA H 1 4.219 0.003 . 1 . . . . B 26 THR HA . 36266 1 271 . 2 . 2 26 26 THR HB H 1 4.139 0.004 . 1 . . . . B 26 THR HB . 36266 1 272 . 2 . 2 26 26 THR HG21 H 1 1.164 0.003 . 1 . . . . B 26 THR HG21 . 36266 1 273 . 2 . 2 26 26 THR HG22 H 1 1.164 0.003 . 1 . . . . B 26 THR HG22 . 36266 1 274 . 2 . 2 26 26 THR HG23 H 1 1.164 0.003 . 1 . . . . B 26 THR HG23 . 36266 1 275 . 2 . 2 27 27 LEU H H 1 8.260 0.006 . 1 . . . . B 27 LEU H . 36266 1 276 . 2 . 2 27 27 LEU HA H 1 4.272 0.001 . 1 . . . . B 27 LEU HA . 36266 1 277 . 2 . 2 27 27 LEU HB2 H 1 1.624 0.002 . 2 . . . . B 27 LEU HB2 . 36266 1 278 . 2 . 2 27 27 LEU HB3 H 1 1.624 0.002 . 2 . . . . B 27 LEU HB3 . 36266 1 279 . 2 . 2 27 27 LEU HG H 1 1.420 0.000 . 1 . . . . B 27 LEU HG . 36266 1 280 . 2 . 2 27 27 LEU HD11 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD11 . 36266 1 281 . 2 . 2 27 27 LEU HD12 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD12 . 36266 1 282 . 2 . 2 27 27 LEU HD13 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD13 . 36266 1 283 . 2 . 2 27 27 LEU HD21 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD21 . 36266 1 284 . 2 . 2 27 27 LEU HD22 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD22 . 36266 1 285 . 2 . 2 27 27 LEU HD23 H 1 0.898 0.007 . 2 . . . . B 27 LEU HD23 . 36266 1 286 . 2 . 2 28 28 ARG H H 1 7.921 0.012 . 1 . . . . B 28 ARG H . 36266 1 287 . 2 . 2 28 28 ARG HB2 H 1 1.839 0.000 . 1 . . . . B 28 ARG HB2 . 36266 1 288 . 2 . 2 28 28 ARG HB3 H 1 1.839 0.000 . 1 . . . . B 28 ARG HB3 . 36266 1 289 . 2 . 2 28 28 ARG HG2 H 1 1.829 0.000 . 2 . . . . B 28 ARG HG2 . 36266 1 290 . 2 . 2 28 28 ARG HG3 H 1 1.829 0.000 . 2 . . . . B 28 ARG HG3 . 36266 1 stop_ save_