################################### # 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 31045 _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 . _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 TOCSY' . . . 31045 1 2 '2D 1H-1H NOESY' . . . 31045 1 3 '2D 1H-13C HSQC' . . . 31045 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 LYS HA H 1 4.212 0.001 . 1 . . 38 . B 1 LYS HA . 31045 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.971 0.0 . 2 . . 137 . B 1 LYS HB2 . 31045 1 3 . 1 . 1 1 1 LYS HB3 H 1 2.317 0.001 . 2 . . 126 . B 1 LYS HB3 . 31045 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.614 0.0 . 2 . . 129 . B 1 LYS HG2 . 31045 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.614 0.0 . 2 . . 128 . B 1 LYS HG3 . 31045 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.835 0.001 . 2 . . 132 . B 1 LYS HD2 . 31045 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.835 0.001 . 2 . . 131 . B 1 LYS HD3 . 31045 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.087 0.001 . 1 . . 135 . B 1 LYS HE2 . 31045 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.087 0.001 . 1 . . 134 . B 1 LYS HE3 . 31045 1 10 . 1 . 1 1 1 LYS HZ1 H 1 7.451 0.002 . 1 . . 136 . B 1 LYS HZ1 . 31045 1 11 . 1 . 1 1 1 LYS HZ2 H 1 7.451 0.002 . 1 . . 136 . B 1 LYS HZ2 . 31045 1 12 . 1 . 1 1 1 LYS HZ3 H 1 7.451 0.002 . 1 . . 136 . B 1 LYS HZ3 . 31045 1 13 . 1 . 1 1 1 LYS CA C 13 56.124 . . 1 . . 39 . B 1 LYS CA . 31045 1 14 . 1 . 1 1 1 LYS CB C 13 32.411 0.0 . 1 . . 125 . B 1 LYS CB . 31045 1 15 . 1 . 1 1 1 LYS CG C 13 24.767 . . 1 . . 127 . B 1 LYS CG . 31045 1 16 . 1 . 1 1 1 LYS CD C 13 28.804 . . 1 . . 130 . B 1 LYS CD . 31045 1 17 . 1 . 1 1 1 LYS CE C 13 42.027 . . 1 . . 133 . B 1 LYS CE . 31045 1 18 . 1 . 1 2 2 ILE H H 1 8.631 0.0 . 1 . . 13 . B 2 ILE H . 31045 1 19 . 1 . 1 2 2 ILE HA H 1 4.030 0.0 . 1 . . 14 . B 2 ILE HA . 31045 1 20 . 1 . 1 2 2 ILE HB H 1 2.037 0.0 . 1 . . 63 . B 2 ILE HB . 31045 1 21 . 1 . 1 2 2 ILE HG12 H 1 1.300 0.0 . 2 . . 155 . B 2 ILE HG12 . 31045 1 22 . 1 . 1 2 2 ILE HG13 H 1 1.577 0.001 . 2 . . 154 . B 2 ILE HG13 . 31045 1 23 . 1 . 1 2 2 ILE HG21 H 1 0.964 0.0 . 1 . . 64 . B 2 ILE HG21 . 31045 1 24 . 1 . 1 2 2 ILE HG22 H 1 0.964 0.0 . 1 . . 64 . B 2 ILE HG22 . 31045 1 25 . 1 . 1 2 2 ILE HG23 H 1 0.964 0.0 . 1 . . 64 . B 2 ILE HG23 . 31045 1 26 . 1 . 1 2 2 ILE HD11 H 1 0.955 . . 1 . . 72 . B 2 ILE HD11 . 31045 1 27 . 1 . 1 2 2 ILE HD12 H 1 0.955 . . 1 . . 72 . B 2 ILE HD12 . 31045 1 28 . 1 . 1 2 2 ILE HD13 H 1 0.955 . . 1 . . 72 . B 2 ILE HD13 . 31045 1 29 . 1 . 1 2 2 ILE CA C 13 63.748 . . 1 . . 17 . B 2 ILE CA . 31045 1 30 . 1 . 1 2 2 ILE CB C 13 38.534 . . 1 . . 62 . B 2 ILE CB . 31045 1 31 . 1 . 1 2 2 ILE CG1 C 13 28.577 . . 1 . . 153 . B 2 ILE CG1 . 31045 1 32 . 1 . 1 2 2 ILE CG2 C 13 17.800 . . 1 . . 58 . B 2 ILE CG2 . 31045 1 33 . 1 . 1 2 2 ILE CD1 C 13 13.869 . . 1 . . 71 . B 2 ILE CD1 . 31045 1 34 . 1 . 1 3 3 LEU H H 1 8.220 0.0 . 1 . . 49 . B 3 LEU H . 31045 1 35 . 1 . 1 3 3 LEU HA H 1 4.062 0.0 . 1 . . 50 . B 3 LEU HA . 31045 1 36 . 1 . 1 3 3 LEU HB2 H 1 1.964 0.001 . 1 . . 165 . B 3 LEU HB2 . 31045 1 37 . 1 . 1 3 3 LEU HB3 H 1 1.964 0.001 . 1 . . 164 . B 3 LEU HB3 . 31045 1 38 . 1 . 1 3 3 LEU HD11 H 1 0.872 0.0 . 2 . . 161 . B 3 LEU HD11 . 31045 1 39 . 1 . 1 3 3 LEU HD12 H 1 0.872 0.0 . 2 . . 161 . B 3 LEU HD12 . 31045 1 40 . 1 . 1 3 3 LEU HD13 H 1 0.872 0.0 . 2 . . 161 . B 3 LEU HD13 . 31045 1 41 . 1 . 1 3 3 LEU HD21 H 1 0.890 0.0 . 2 . . 162 . B 3 LEU HD21 . 31045 1 42 . 1 . 1 3 3 LEU HD22 H 1 0.890 0.0 . 2 . . 162 . B 3 LEU HD22 . 31045 1 43 . 1 . 1 3 3 LEU HD23 H 1 0.890 0.0 . 2 . . 162 . B 3 LEU HD23 . 31045 1 44 . 1 . 1 3 3 LEU CA C 13 57.638 . . 1 . . 51 . B 3 LEU CA . 31045 1 45 . 1 . 1 3 3 LEU CB C 13 40.619 . . 1 . . 163 . B 3 LEU CB . 31045 1 46 . 1 . 1 3 3 LEU CD1 C 13 23.172 . . 2 . . 159 . B 3 LEU CD1 . 31045 1 47 . 1 . 1 3 3 LEU CD2 C 13 23.431 . . 2 . . 160 . B 3 LEU CD2 . 31045 1 48 . 1 . 1 4 4 LYS H H 1 7.556 0.001 . 1 . . 15 . B 4 LYS H . 31045 1 49 . 1 . 1 4 4 LYS HA H 1 3.984 0.0 . 1 . . 16 . B 4 LYS HA . 31045 1 50 . 1 . 1 4 4 LYS HB2 H 1 1.882 0.0 . 2 . . 107 . B 4 LYS HB2 . 31045 1 51 . 1 . 1 4 4 LYS HB3 H 1 1.882 0.0 . 2 . . 106 . B 4 LYS HB3 . 31045 1 52 . 1 . 1 4 4 LYS HG2 H 1 1.458 0.0 . 2 . . 114 . B 4 LYS HG2 . 31045 1 53 . 1 . 1 4 4 LYS HG3 H 1 1.458 0.0 . 2 . . 113 . B 4 LYS HG3 . 31045 1 54 . 1 . 1 4 4 LYS HD2 H 1 1.701 0.0 . 2 . . 111 . B 4 LYS HD2 . 31045 1 55 . 1 . 1 4 4 LYS HD3 H 1 1.701 0.0 . 2 . . 110 . B 4 LYS HD3 . 31045 1 56 . 1 . 1 4 4 LYS HE2 H 1 2.996 0.0 . 1 . . 105 . B 4 LYS HE2 . 31045 1 57 . 1 . 1 4 4 LYS HE3 H 1 2.996 0.0 . 1 . . 104 . B 4 LYS HE3 . 31045 1 58 . 1 . 1 4 4 LYS HZ1 H 1 7.439 0.0 . 1 . . 138 . B 4 LYS HZ1 . 31045 1 59 . 1 . 1 4 4 LYS HZ2 H 1 7.439 0.0 . 1 . . 138 . B 4 LYS HZ2 . 31045 1 60 . 1 . 1 4 4 LYS HZ3 H 1 7.439 0.0 . 1 . . 138 . B 4 LYS HZ3 . 31045 1 61 . 1 . 1 4 4 LYS CA C 13 59.383 . . 1 . . 19 . B 4 LYS CA . 31045 1 62 . 1 . 1 4 4 LYS CB C 13 32.142 . . 1 . . 108 . B 4 LYS CB . 31045 1 63 . 1 . 1 4 4 LYS CG C 13 25.504 . . 1 . . 112 . B 4 LYS CG . 31045 1 64 . 1 . 1 4 4 LYS CD C 13 29.072 . . 1 . . 109 . B 4 LYS CD . 31045 1 65 . 1 . 1 4 4 LYS CE C 13 42.110 . . 1 . . 103 . B 4 LYS CE . 31045 1 66 . 1 . 1 5 5 ARG H H 1 7.730 0.0 . 1 . . 1 . B 5 ARG H . 31045 1 67 . 1 . 1 5 5 ARG HA H 1 4.103 0.002 . 1 . . 2 . B 5 ARG HA . 31045 1 68 . 1 . 1 5 5 ARG HB2 H 1 1.973 0.0 . 2 . . 5 . B 5 ARG HB2 . 31045 1 69 . 1 . 1 5 5 ARG HB3 H 1 1.973 0.0 . 2 . . 4 . B 5 ARG HB3 . 31045 1 70 . 1 . 1 5 5 ARG HG2 H 1 1.618 0.0 . 2 . . 11 . B 5 ARG HG2 . 31045 1 71 . 1 . 1 5 5 ARG HG3 H 1 1.618 0.0 . 2 . . 10 . B 5 ARG HG3 . 31045 1 72 . 1 . 1 5 5 ARG HD2 H 1 3.191 0.0 . 2 . . 8 . B 5 ARG HD2 . 31045 1 73 . 1 . 1 5 5 ARG HD3 H 1 3.191 0.0 . 2 . . 7 . B 5 ARG HD3 . 31045 1 74 . 1 . 1 5 5 ARG HE H 1 7.075 0.0 . 1 . . 115 . B 5 ARG HE . 31045 1 75 . 1 . 1 5 5 ARG CA C 13 58.976 . . 1 . . 3 . B 5 ARG CA . 31045 1 76 . 1 . 1 5 5 ARG CB C 13 30.231 . . 1 . . 6 . B 5 ARG CB . 31045 1 77 . 1 . 1 5 5 ARG CG C 13 27.405 . . 1 . . 12 . B 5 ARG CG . 31045 1 78 . 1 . 1 5 5 ARG CD C 13 43.759 . . 1 . . 9 . B 5 ARG CD . 31045 1 79 . 1 . 1 6 6 LEU H H 1 8.198 0.0 . 1 . . 20 . B 6 LEU H . 31045 1 80 . 1 . 1 6 6 LEU HA H 1 4.047 0.0 . 1 . . 21 . B 6 LEU HA . 31045 1 81 . 1 . 1 6 6 LEU HB2 H 1 1.698 0.0 . 2 . . 84 . B 6 LEU HB2 . 31045 1 82 . 1 . 1 6 6 LEU HB3 H 1 1.770 0.001 . 2 . . 83 . B 6 LEU HB3 . 31045 1 83 . 1 . 1 6 6 LEU HG H 1 1.819 0.0 . 1 . . 82 . B 6 LEU HG . 31045 1 84 . 1 . 1 6 6 LEU HD11 H 1 0.868 0.0 . 2 . . 89 . B 6 LEU HD11 . 31045 1 85 . 1 . 1 6 6 LEU HD12 H 1 0.868 0.0 . 2 . . 89 . B 6 LEU HD12 . 31045 1 86 . 1 . 1 6 6 LEU HD13 H 1 0.868 0.0 . 2 . . 89 . B 6 LEU HD13 . 31045 1 87 . 1 . 1 6 6 LEU HD21 H 1 0.911 0.0 . 2 . . 90 . B 6 LEU HD21 . 31045 1 88 . 1 . 1 6 6 LEU HD22 H 1 0.911 0.0 . 2 . . 90 . B 6 LEU HD22 . 31045 1 89 . 1 . 1 6 6 LEU HD23 H 1 0.911 0.0 . 2 . . 90 . B 6 LEU HD23 . 31045 1 90 . 1 . 1 6 6 LEU CA C 13 58.410 . . 1 . . 22 . B 6 LEU CA . 31045 1 91 . 1 . 1 6 6 LEU CB C 13 41.898 0.0 . 1 . . 85 . B 6 LEU CB . 31045 1 92 . 1 . 1 6 6 LEU CG C 13 26.939 . . 1 . . 86 . B 6 LEU CG . 31045 1 93 . 1 . 1 6 6 LEU CD1 C 13 24.426 . . 2 . . 87 . B 6 LEU CD1 . 31045 1 94 . 1 . 1 6 6 LEU CD2 C 13 24.533 . . 2 . . 88 . B 6 LEU CD2 . 31045 1 95 . 1 . 1 7 7 ALA H H 1 8.493 0.0 . 1 . . 23 . B 7 ALA H . 31045 1 96 . 1 . 1 7 7 ALA HA H 1 3.894 0.0 . 1 . . 24 . B 7 ALA HA . 31045 1 97 . 1 . 1 7 7 ALA HB1 H 1 1.511 0.0 . 1 . . 52 . B 7 ALA HB1 . 31045 1 98 . 1 . 1 7 7 ALA HB2 H 1 1.511 0.0 . 1 . . 52 . B 7 ALA HB2 . 31045 1 99 . 1 . 1 7 7 ALA HB3 H 1 1.511 0.0 . 1 . . 52 . B 7 ALA HB3 . 31045 1 100 . 1 . 1 7 7 ALA CA C 13 55.539 . . 1 . . 25 . B 7 ALA CA . 31045 1 101 . 1 . 1 7 7 ALA CB C 13 18.276 . . 1 . . 53 . B 7 ALA CB . 31045 1 102 . 1 . 1 8 8 ALA H H 1 7.738 0.0 . 1 . . 32 . B 8 ALA H . 31045 1 103 . 1 . 1 8 8 ALA HA H 1 4.038 0.0 . 1 . . 33 . B 8 ALA HA . 31045 1 104 . 1 . 1 8 8 ALA HB1 H 1 1.503 0.0 . 1 . . 54 . B 8 ALA HB1 . 31045 1 105 . 1 . 1 8 8 ALA HB2 H 1 1.503 0.0 . 1 . . 54 . B 8 ALA HB2 . 31045 1 106 . 1 . 1 8 8 ALA HB3 H 1 1.503 0.0 . 1 . . 54 . B 8 ALA HB3 . 31045 1 107 . 1 . 1 8 8 ALA CA C 13 54.709 . . 1 . . 34 . B 8 ALA CA . 31045 1 108 . 1 . 1 8 8 ALA CB C 13 18.257 . . 1 . . 55 . B 8 ALA CB . 31045 1 109 . 1 . 1 9 9 LYS H H 1 7.548 0.001 . 1 . . 40 . B 9 LYS H . 31045 1 110 . 1 . 1 9 9 LYS HA H 1 4.140 0.0 . 1 . . 41 . B 9 LYS HA . 31045 1 111 . 1 . 1 9 9 LYS HB2 H 1 2.065 0.0 . 2 . . 142 . B 9 LYS HB2 . 31045 1 112 . 1 . 1 9 9 LYS HB3 H 1 2.065 0.0 . 2 . . 141 . B 9 LYS HB3 . 31045 1 113 . 1 . 1 9 9 LYS HG2 H 1 1.537 0.0 . 2 . . 145 . B 9 LYS HG2 . 31045 1 114 . 1 . 1 9 9 LYS HG3 H 1 1.537 0.0 . 2 . . 144 . B 9 LYS HG3 . 31045 1 115 . 1 . 1 9 9 LYS HE2 H 1 2.967 0.001 . 2 . . 148 . B 9 LYS HE2 . 31045 1 116 . 1 . 1 9 9 LYS HE3 H 1 2.967 0.001 . 2 . . 147 . B 9 LYS HE3 . 31045 1 117 . 1 . 1 9 9 LYS HZ1 H 1 7.488 0.0 . 1 . . 149 . B 9 LYS HZ1 . 31045 1 118 . 1 . 1 9 9 LYS HZ2 H 1 7.488 0.0 . 1 . . 149 . B 9 LYS HZ2 . 31045 1 119 . 1 . 1 9 9 LYS HZ3 H 1 7.488 0.0 . 1 . . 149 . B 9 LYS HZ3 . 31045 1 120 . 1 . 1 9 9 LYS CA C 13 58.181 . . 1 . . 45 . B 9 LYS CA . 31045 1 121 . 1 . 1 9 9 LYS CB C 13 32.246 . . 1 . . 140 . B 9 LYS CB . 31045 1 122 . 1 . 1 9 9 LYS CG C 13 24.733 . . 1 . . 143 . B 9 LYS CG . 31045 1 123 . 1 . 1 9 9 LYS CE C 13 42.137 . . 1 . . 146 . B 9 LYS CE . 31045 1 124 . 1 . 1 10 10 ILE H H 1 8.125 0.0 . 1 . . 29 . B 10 ILE H . 31045 1 125 . 1 . 1 10 10 ILE HA H 1 3.692 0.0 . 1 . . 30 . B 10 ILE HA . 31045 1 126 . 1 . 1 10 10 ILE HB H 1 1.947 0.0 . 1 . . 57 . B 10 ILE HB . 31045 1 127 . 1 . 1 10 10 ILE HG12 H 1 1.140 0.0 . 2 . . 158 . B 10 ILE HG12 . 31045 1 128 . 1 . 1 10 10 ILE HG13 H 1 1.140 0.0 . 2 . . 157 . B 10 ILE HG13 . 31045 1 129 . 1 . 1 10 10 ILE HG21 H 1 0.902 0.0 . 1 . . 59 . B 10 ILE HG21 . 31045 1 130 . 1 . 1 10 10 ILE HG22 H 1 0.902 0.0 . 1 . . 59 . B 10 ILE HG22 . 31045 1 131 . 1 . 1 10 10 ILE HG23 H 1 0.902 0.0 . 1 . . 59 . B 10 ILE HG23 . 31045 1 132 . 1 . 1 10 10 ILE HD11 H 1 0.804 0.0 . 1 . . 61 . B 10 ILE HD11 . 31045 1 133 . 1 . 1 10 10 ILE HD12 H 1 0.804 0.0 . 1 . . 61 . B 10 ILE HD12 . 31045 1 134 . 1 . 1 10 10 ILE HD13 H 1 0.804 0.0 . 1 . . 61 . B 10 ILE HD13 . 31045 1 135 . 1 . 1 10 10 ILE CA C 13 64.414 . . 1 . . 31 . B 10 ILE CA . 31045 1 136 . 1 . 1 10 10 ILE CB C 13 37.538 . . 1 . . 56 . B 10 ILE CB . 31045 1 137 . 1 . 1 10 10 ILE CG2 C 13 17.771 . . 1 . . 156 . B 10 ILE CG2 . 31045 1 138 . 1 . 1 10 10 ILE CD1 C 13 13.035 . . 1 . . 60 . B 10 ILE CD1 . 31045 1 139 . 1 . 1 11 11 LYS H H 1 8.156 0.0 . 1 . . 26 . B 11 LYS H . 31045 1 140 . 1 . 1 11 11 LYS HA H 1 3.896 0.001 . 1 . . 27 . B 11 LYS HA . 31045 1 141 . 1 . 1 11 11 LYS HB2 H 1 1.846 0.0 . 2 . . 101 . B 11 LYS HB2 . 31045 1 142 . 1 . 1 11 11 LYS HB3 H 1 1.926 0.0 . 2 . . 92 . B 11 LYS HB3 . 31045 1 143 . 1 . 1 11 11 LYS HG2 H 1 1.440 0.001 . 2 . . 97 . B 11 LYS HG2 . 31045 1 144 . 1 . 1 11 11 LYS HG3 H 1 1.440 0.001 . 2 . . 96 . B 11 LYS HG3 . 31045 1 145 . 1 . 1 11 11 LYS HD2 H 1 1.697 0.0 . 1 . . 100 . B 11 LYS HD2 . 31045 1 146 . 1 . 1 11 11 LYS HD3 H 1 1.697 0.0 . 1 . . 99 . B 11 LYS HD3 . 31045 1 147 . 1 . 1 11 11 LYS HE2 H 1 2.952 0.0 . 2 . . 95 . B 11 LYS HE2 . 31045 1 148 . 1 . 1 11 11 LYS HE3 H 1 2.952 0.0 . 2 . . 94 . B 11 LYS HE3 . 31045 1 149 . 1 . 1 11 11 LYS HZ1 H 1 7.439 0.0 . 1 . . 139 . B 11 LYS HZ1 . 31045 1 150 . 1 . 1 11 11 LYS HZ2 H 1 7.439 0.0 . 1 . . 139 . B 11 LYS HZ2 . 31045 1 151 . 1 . 1 11 11 LYS HZ3 H 1 7.439 0.0 . 1 . . 139 . B 11 LYS HZ3 . 31045 1 152 . 1 . 1 11 11 LYS CA C 13 59.190 . . 1 . . 28 . B 11 LYS CA . 31045 1 153 . 1 . 1 11 11 LYS CB C 13 32.244 0.0 . 1 . . 91 . B 11 LYS CB . 31045 1 154 . 1 . 1 11 11 LYS CG C 13 25.535 . . 1 . . 98 . B 11 LYS CG . 31045 1 155 . 1 . 1 11 11 LYS CD C 13 29.120 . . 1 . . 102 . B 11 LYS CD . 31045 1 156 . 1 . 1 11 11 LYS CE C 13 42.149 . . 1 . . 93 . B 11 LYS CE . 31045 1 157 . 1 . 1 12 12 LYS H H 1 7.327 0.0 . 1 . . 42 . B 12 LYS H . 31045 1 158 . 1 . 1 12 12 LYS HA H 1 4.140 0.0 . 1 . . 43 . B 12 LYS HA . 31045 1 159 . 1 . 1 12 12 LYS HB2 H 1 1.990 0.0 . 2 . . 118 . B 12 LYS HB2 . 31045 1 160 . 1 . 1 12 12 LYS HB3 H 1 1.990 0.0 . 2 . . 117 . B 12 LYS HB3 . 31045 1 161 . 1 . 1 12 12 LYS HG2 H 1 1.504 0.0 . 2 . . 124 . B 12 LYS HG2 . 31045 1 162 . 1 . 1 12 12 LYS HG3 H 1 1.626 0.0 . 2 . . 123 . B 12 LYS HG3 . 31045 1 163 . 1 . 1 12 12 LYS HD2 H 1 1.712 0.0 . 2 . . 121 . B 12 LYS HD2 . 31045 1 164 . 1 . 1 12 12 LYS HD3 H 1 1.712 0.0 . 2 . . 120 . B 12 LYS HD3 . 31045 1 165 . 1 . 1 12 12 LYS CA C 13 58.024 . . 1 . . 44 . B 12 LYS CA . 31045 1 166 . 1 . 1 12 12 LYS CB C 13 32.467 . . 1 . . 116 . B 12 LYS CB . 31045 1 167 . 1 . 1 12 12 LYS CG C 13 24.816 . . 1 . . 122 . B 12 LYS CG . 31045 1 168 . 1 . 1 12 12 LYS CD C 13 29.110 . . 1 . . 119 . B 12 LYS CD . 31045 1 169 . 1 . 1 13 13 ILE H H 1 7.598 0.001 . 1 . . 35 . B 13 ILE H . 31045 1 170 . 1 . 1 13 13 ILE HA H 1 4.197 0.0 . 1 . . 36 . B 13 ILE HA . 31045 1 171 . 1 . 1 13 13 ILE HB H 1 2.018 0.0 . 1 . . 66 . B 13 ILE HB . 31045 1 172 . 1 . 1 13 13 ILE HG12 H 1 1.364 0.0 . 2 . . 152 . B 13 ILE HG12 . 31045 1 173 . 1 . 1 13 13 ILE HG13 H 1 1.364 0.0 . 2 . . 151 . B 13 ILE HG13 . 31045 1 174 . 1 . 1 13 13 ILE HG21 H 1 0.958 0.0 . 1 . . 67 . B 13 ILE HG21 . 31045 1 175 . 1 . 1 13 13 ILE HG22 H 1 0.958 0.0 . 1 . . 67 . B 13 ILE HG22 . 31045 1 176 . 1 . 1 13 13 ILE HG23 H 1 0.958 0.0 . 1 . . 67 . B 13 ILE HG23 . 31045 1 177 . 1 . 1 13 13 ILE HD11 H 1 0.870 0.0 . 1 . . 69 . B 13 ILE HD11 . 31045 1 178 . 1 . 1 13 13 ILE HD12 H 1 0.870 0.0 . 1 . . 69 . B 13 ILE HD12 . 31045 1 179 . 1 . 1 13 13 ILE HD13 H 1 0.870 0.0 . 1 . . 69 . B 13 ILE HD13 . 31045 1 180 . 1 . 1 13 13 ILE CA C 13 62.085 . . 1 . . 37 . B 13 ILE CA . 31045 1 181 . 1 . 1 13 13 ILE CB C 13 39.063 . . 1 . . 65 . B 13 ILE CB . 31045 1 182 . 1 . 1 13 13 ILE CG1 C 13 27.431 . . 1 . . 150 . B 13 ILE CG1 . 31045 1 183 . 1 . 1 13 13 ILE CG2 C 13 17.798 . . 1 . . 68 . B 13 ILE CG2 . 31045 1 184 . 1 . 1 13 13 ILE CD1 C 13 13.945 . . 1 . . 70 . B 13 ILE CD1 . 31045 1 185 . 1 . 1 14 14 LEU H H 1 7.582 0.0 . 1 . . 46 . B 14 LEU H . 31045 1 186 . 1 . 1 14 14 LEU HA H 1 4.364 0.0 . 1 . . 47 . B 14 LEU HA . 31045 1 187 . 1 . 1 14 14 LEU HB2 H 1 1.731 0.0 . 2 . . 76 . B 14 LEU HB2 . 31045 1 188 . 1 . 1 14 14 LEU HB3 H 1 1.634 0.0 . 2 . . 77 . B 14 LEU HB3 . 31045 1 189 . 1 . 1 14 14 LEU HG H 1 1.840 0.0 . 1 . . 74 . B 14 LEU HG . 31045 1 190 . 1 . 1 14 14 LEU HD11 H 1 0.978 0.001 . 2 . . 80 . B 14 LEU HD11 . 31045 1 191 . 1 . 1 14 14 LEU HD12 H 1 0.978 0.001 . 2 . . 80 . B 14 LEU HD12 . 31045 1 192 . 1 . 1 14 14 LEU HD13 H 1 0.978 0.001 . 2 . . 80 . B 14 LEU HD13 . 31045 1 193 . 1 . 1 14 14 LEU HD21 H 1 0.888 0.0 . 2 . . 81 . B 14 LEU HD21 . 31045 1 194 . 1 . 1 14 14 LEU HD22 H 1 0.888 0.0 . 2 . . 81 . B 14 LEU HD22 . 31045 1 195 . 1 . 1 14 14 LEU HD23 H 1 0.888 0.0 . 2 . . 81 . B 14 LEU HD23 . 31045 1 196 . 1 . 1 14 14 LEU CA C 13 53.869 . . 1 . . 48 . B 14 LEU CA . 31045 1 197 . 1 . 1 14 14 LEU CB C 13 41.995 . . 1 . . 75 . B 14 LEU CB . 31045 1 198 . 1 . 1 14 14 LEU CG C 13 26.797 . . 1 . . 73 . B 14 LEU CG . 31045 1 199 . 1 . 1 14 14 LEU CD1 C 13 25.436 . . 2 . . 79 . B 14 LEU CD1 . 31045 1 200 . 1 . 1 14 14 LEU CD2 C 13 25.691 . . 2 . . 78 . B 14 LEU CD2 . 31045 1 stop_ save_