################################### # 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 25207 _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 2 '2D 1H-1H TOCSY' . . . 25207 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 GLU HA H 1 4.300 0.02 . . . . . A 1 GLU HA . 25207 1 2 . 1 1 1 1 GLU HB2 H 1 2.030 0.02 . . . . . A 1 GLU HB2 . 25207 1 3 . 1 1 1 1 GLU HB3 H 1 2.110 0.02 . . . . . A 1 GLU HB3 . 25207 1 4 . 1 1 1 1 GLU HG3 H 1 2.410 0.02 . . . . . A 1 GLU HG3 . 25207 1 5 . 1 1 1 1 GLU H H 1 8.320 0.02 . . . . . A 1 GLU H1 . 25207 1 6 . 1 1 2 2 VAL H H 1 7.980 0.02 . . . . . A 2 VAL H . 25207 1 7 . 1 1 2 2 VAL HA H 1 4.060 0.02 . . . . . A 2 VAL HA . 25207 1 8 . 1 1 2 2 VAL HB H 1 2.120 0.02 . . . . . A 2 VAL HB . 25207 1 9 . 1 1 2 2 VAL HG11 H 1 0.990 0.02 . . . . . A 2 VAL HG11 . 25207 1 10 . 1 1 2 2 VAL HG12 H 1 0.990 0.02 . . . . . A 2 VAL HG12 . 25207 1 11 . 1 1 2 2 VAL HG13 H 1 0.990 0.02 . . . . . A 2 VAL HG13 . 25207 1 12 . 1 1 2 2 VAL HG21 H 1 0.930 0.02 . . . . . A 2 VAL HG21 . 25207 1 13 . 1 1 2 2 VAL HG22 H 1 0.930 0.02 . . . . . A 2 VAL HG22 . 25207 1 14 . 1 1 2 2 VAL HG23 H 1 0.930 0.02 . . . . . A 2 VAL HG23 . 25207 1 15 . 1 1 3 3 LEU H H 1 7.940 0.02 . . . . . A 3 LEU H . 25207 1 16 . 1 1 3 3 LEU HA H 1 4.240 0.02 . . . . . A 3 LEU HA . 25207 1 17 . 1 1 3 3 LEU HB2 H 1 1.660 0.02 . . . . . A 3 LEU HB2 . 25207 1 18 . 1 1 3 3 LEU HB3 H 1 1.580 0.02 . . . . . A 3 LEU HB3 . 25207 1 19 . 1 1 3 3 LEU HG H 1 1.460 0.02 . . . . . A 3 LEU HG . 25207 1 20 . 1 1 3 3 LEU HD11 H 1 0.910 0.02 . . . . . A 3 LEU HD11 . 25207 1 21 . 1 1 3 3 LEU HD12 H 1 0.910 0.02 . . . . . A 3 LEU HD12 . 25207 1 22 . 1 1 3 3 LEU HD13 H 1 0.910 0.02 . . . . . A 3 LEU HD13 . 25207 1 23 . 1 1 3 3 LEU HD21 H 1 0.910 0.02 . . . . . A 3 LEU HD21 . 25207 1 24 . 1 1 3 3 LEU HD22 H 1 0.910 0.02 . . . . . A 3 LEU HD22 . 25207 1 25 . 1 1 3 3 LEU HD23 H 1 0.910 0.02 . . . . . A 3 LEU HD23 . 25207 1 26 . 1 1 4 4 TYR H H 1 7.700 0.02 . . . . . A 4 TYR H . 25207 1 27 . 1 1 4 4 TYR HA H 1 4.570 0.02 . . . . . A 4 TYR HA . 25207 1 28 . 1 1 4 4 TYR HB2 H 1 3.030 0.02 . . . . . A 4 TYR HB2 . 25207 1 29 . 1 1 4 4 TYR HB3 H 1 3.150 0.02 . . . . . A 4 TYR HB3 . 25207 1 30 . 1 1 4 4 TYR HD1 H 1 7.330 0.02 . . . . . A 4 TYR HD1 . 25207 1 31 . 1 1 4 4 TYR HD2 H 1 7.330 0.02 . . . . . A 4 TYR HD2 . 25207 1 32 . 1 1 4 4 TYR HE1 H 1 6.720 0.02 . . . . . A 4 TYR HE1 . 25207 1 33 . 1 1 4 4 TYR HE2 H 1 6.720 0.02 . . . . . A 4 TYR HE2 . 25207 1 34 . 1 1 5 5 LEU H H 1 7.740 0.02 . . . . . A 5 LEU H . 25207 1 35 . 1 1 5 5 LEU HA H 1 4.430 0.02 . . . . . A 5 LEU HA . 25207 1 36 . 1 1 5 5 LEU HB2 H 1 1.760 0.02 . . . . . A 5 LEU HB2 . 25207 1 37 . 1 1 5 5 LEU HB3 H 1 1.760 0.02 . . . . . A 5 LEU HB3 . 25207 1 38 . 1 1 5 5 LEU HG H 1 1.650 0.02 . . . . . A 5 LEU HG . 25207 1 39 . 1 1 5 5 LEU HD11 H 1 0.930 0.02 . . . . . A 5 LEU HD11 . 25207 1 40 . 1 1 5 5 LEU HD12 H 1 0.930 0.02 . . . . . A 5 LEU HD12 . 25207 1 41 . 1 1 5 5 LEU HD13 H 1 0.930 0.02 . . . . . A 5 LEU HD13 . 25207 1 42 . 1 1 5 5 LEU HD21 H 1 0.930 0.02 . . . . . A 5 LEU HD21 . 25207 1 43 . 1 1 5 5 LEU HD22 H 1 0.930 0.02 . . . . . A 5 LEU HD22 . 25207 1 44 . 1 1 5 5 LEU HD23 H 1 0.930 0.02 . . . . . A 5 LEU HD23 . 25207 1 45 . 1 1 6 6 LYS H H 1 8.020 0.02 . . . . . A 6 LYS H . 25207 1 46 . 1 1 6 6 LYS HA H 1 4.370 0.02 . . . . . A 6 LYS HA . 25207 1 47 . 1 1 6 6 LYS HB2 H 1 1.960 0.02 . . . . . A 6 LYS HB2 . 25207 1 48 . 1 1 6 6 LYS HB3 H 1 1.960 0.02 . . . . . A 6 LYS HB3 . 25207 1 49 . 1 1 6 6 LYS HG2 H 1 1.500 0.02 . . . . . A 6 LYS HG2 . 25207 1 50 . 1 1 6 6 LYS HG3 H 1 1.500 0.02 . . . . . A 6 LYS HG3 . 25207 1 51 . 1 1 6 6 LYS HD2 H 1 1.770 0.02 . . . . . A 6 LYS HD2 . 25207 1 52 . 1 1 6 6 LYS HD3 H 1 1.770 0.02 . . . . . A 6 LYS HD3 . 25207 1 53 . 1 1 6 6 LYS HE2 H 1 3.290 0.02 . . . . . A 6 LYS HE2 . 25207 1 54 . 1 1 6 6 LYS HE3 H 1 3.290 0.02 . . . . . A 6 LYS HE3 . 25207 1 55 . 1 1 6 6 LYS HZ1 H 1 7.620 0.02 . . . . . A 6 LYS HZ1 . 25207 1 56 . 1 1 6 6 LYS HZ2 H 1 7.620 0.02 . . . . . A 6 LYS HZ2 . 25207 1 57 . 1 1 6 6 LYS HZ3 H 1 7.620 0.02 . . . . . A 6 LYS HZ3 . 25207 1 58 . 1 1 7 7 PRO HA H 1 4.800 0.02 . . . . . A 7 PRO HA . 25207 1 59 . 1 1 7 7 PRO HB2 H 1 1.900 0.02 . . . . . A 7 PRO HB2 . 25207 1 60 . 1 1 7 7 PRO HB3 H 1 2.400 0.02 . . . . . A 7 PRO HB3 . 25207 1 61 . 1 1 7 7 PRO HG2 H 1 2.170 0.02 . . . . . A 7 PRO HG2 . 25207 1 62 . 1 1 7 7 PRO HG3 H 1 2.170 0.02 . . . . . A 7 PRO HG3 . 25207 1 63 . 1 1 7 7 PRO HD2 H 1 3.670 0.02 . . . . . A 7 PRO HD2 . 25207 1 64 . 1 1 7 7 PRO HD3 H 1 3.760 0.02 . . . . . A 7 PRO HD3 . 25207 1 65 . 1 1 8 8 LEU H H 1 7.700 0.02 . . . . . A 8 LEU H . 25207 1 66 . 1 1 8 8 LEU HA H 1 4.300 0.02 . . . . . A 8 LEU HA . 25207 1 67 . 1 1 8 8 LEU HB2 H 1 1.830 0.02 . . . . . A 8 LEU HB2 . 25207 1 68 . 1 1 8 8 LEU HB3 H 1 1.830 0.02 . . . . . A 8 LEU HB3 . 25207 1 69 . 1 1 8 8 LEU HG H 1 1.730 0.02 . . . . . A 8 LEU HG . 25207 1 70 . 1 1 8 8 LEU HD11 H 1 0.990 0.02 . . . . . A 8 LEU HD11 . 25207 1 71 . 1 1 8 8 LEU HD12 H 1 0.990 0.02 . . . . . A 8 LEU HD12 . 25207 1 72 . 1 1 8 8 LEU HD13 H 1 0.990 0.02 . . . . . A 8 LEU HD13 . 25207 1 73 . 1 1 8 8 LEU HD21 H 1 0.920 0.02 . . . . . A 8 LEU HD21 . 25207 1 74 . 1 1 8 8 LEU HD22 H 1 0.920 0.02 . . . . . A 8 LEU HD22 . 25207 1 75 . 1 1 8 8 LEU HD23 H 1 0.920 0.02 . . . . . A 8 LEU HD23 . 25207 1 76 . 1 1 9 9 ALA H H 1 8.200 0.02 . . . . . A 9 ALA H . 25207 1 77 . 1 1 9 9 ALA HA H 1 4.210 0.02 . . . . . A 9 ALA HA . 25207 1 78 . 1 1 9 9 ALA HB1 H 1 1.580 0.02 . . . . . A 9 ALA HB1 . 25207 1 79 . 1 1 9 9 ALA HB2 H 1 1.580 0.02 . . . . . A 9 ALA HB2 . 25207 1 80 . 1 1 9 9 ALA HB3 H 1 1.580 0.02 . . . . . A 9 ALA HB3 . 25207 1 81 . 1 1 10 10 GLY H H 1 8.260 0.02 . . . . . A 10 GLY H . 25207 1 82 . 1 1 10 10 GLY HA2 H 1 3.970 0.02 . . . . . A 10 GLY HA2 . 25207 1 83 . 1 1 10 10 GLY HA3 H 1 3.970 0.02 . . . . . A 10 GLY HA3 . 25207 1 84 . 1 1 11 11 VAL H H 1 7.830 0.02 . . . . . A 11 VAL H . 25207 1 85 . 1 1 11 11 VAL HA H 1 3.830 0.02 . . . . . A 11 VAL HA . 25207 1 86 . 1 1 11 11 VAL HB H 1 2.300 0.02 . . . . . A 11 VAL HB . 25207 1 87 . 1 1 11 11 VAL HG11 H 1 0.960 0.02 . . . . . A 11 VAL HG11 . 25207 1 88 . 1 1 11 11 VAL HG12 H 1 0.960 0.02 . . . . . A 11 VAL HG12 . 25207 1 89 . 1 1 11 11 VAL HG13 H 1 0.960 0.02 . . . . . A 11 VAL HG13 . 25207 1 90 . 1 1 11 11 VAL HG21 H 1 1.090 0.02 . . . . . A 11 VAL HG21 . 25207 1 91 . 1 1 11 11 VAL HG22 H 1 1.090 0.02 . . . . . A 11 VAL HG22 . 25207 1 92 . 1 1 11 11 VAL HG23 H 1 1.090 0.02 . . . . . A 11 VAL HG23 . 25207 1 93 . 1 1 12 12 TYR H H 1 8.360 0.02 . . . . . A 12 TYR H . 25207 1 94 . 1 1 12 12 TYR HA H 1 4.260 0.02 . . . . . A 12 TYR HA . 25207 1 95 . 1 1 12 12 TYR HB2 H 1 3.160 0.02 . . . . . A 12 TYR HB2 . 25207 1 96 . 1 1 12 12 TYR HB3 H 1 3.160 0.02 . . . . . A 12 TYR HB3 . 25207 1 97 . 1 1 12 12 TYR HD1 H 1 7.110 0.02 . . . . . A 12 TYR HD1 . 25207 1 98 . 1 1 12 12 TYR HD2 H 1 7.110 0.02 . . . . . A 12 TYR HD2 . 25207 1 99 . 1 1 12 12 TYR HE1 H 1 6.810 0.02 . . . . . A 12 TYR HE1 . 25207 1 100 . 1 1 12 12 TYR HE2 H 1 6.810 0.02 . . . . . A 12 TYR HE2 . 25207 1 101 . 1 1 13 13 ARG H H 1 8.340 0.02 . . . . . A 13 ARG H . 25207 1 102 . 1 1 13 13 ARG HA H 1 3.960 0.02 . . . . . A 13 ARG HA . 25207 1 103 . 1 1 13 13 ARG HB2 H 1 1.990 0.02 . . . . . A 13 ARG HB2 . 25207 1 104 . 1 1 13 13 ARG HB3 H 1 1.990 0.02 . . . . . A 13 ARG HB3 . 25207 1 105 . 1 1 13 13 ARG HG2 H 1 1.740 0.02 . . . . . A 13 ARG HG2 . 25207 1 106 . 1 1 13 13 ARG HG3 H 1 1.740 0.02 . . . . . A 13 ARG HG3 . 25207 1 107 . 1 1 13 13 ARG HD2 H 1 3.300 0.02 . . . . . A 13 ARG HD2 . 25207 1 108 . 1 1 13 13 ARG HD3 H 1 3.300 0.02 . . . . . A 13 ARG HD3 . 25207 1 109 . 1 1 13 13 ARG HH11 H 1 7.330 0.02 . . . . . A 13 ARG HH11 . 25207 1 110 . 1 1 13 13 ARG HH12 H 1 7.330 0.02 . . . . . A 13 ARG HH12 . 25207 1 111 . 1 1 14 14 SER H H 1 7.930 0.02 . . . . . A 14 SER H . 25207 1 112 . 1 1 14 14 SER HA H 1 4.320 0.02 . . . . . A 14 SER HA . 25207 1 113 . 1 1 14 14 SER HB2 H 1 4.020 0.02 . . . . . A 14 SER HB2 . 25207 1 114 . 1 1 14 14 SER HB3 H 1 4.020 0.02 . . . . . A 14 SER HB3 . 25207 1 115 . 1 1 15 15 LEU H H 1 8.420 0.02 . . . . . A 15 LEU H . 25207 1 116 . 1 1 15 15 LEU HA H 1 4.170 0.02 . . . . . A 15 LEU HA . 25207 1 117 . 1 1 15 15 LEU HB2 H 1 1.630 0.02 . . . . . A 15 LEU HB2 . 25207 1 118 . 1 1 15 15 LEU HB3 H 1 1.810 0.02 . . . . . A 15 LEU HB3 . 25207 1 119 . 1 1 15 15 LEU HG H 1 1.660 0.02 . . . . . A 15 LEU HG . 25207 1 120 . 1 1 15 15 LEU HD11 H 1 0.910 0.02 . . . . . A 15 LEU HD11 . 25207 1 121 . 1 1 15 15 LEU HD12 H 1 0.910 0.02 . . . . . A 15 LEU HD12 . 25207 1 122 . 1 1 15 15 LEU HD13 H 1 0.910 0.02 . . . . . A 15 LEU HD13 . 25207 1 123 . 1 1 15 15 LEU HD21 H 1 0.910 0.02 . . . . . A 15 LEU HD21 . 25207 1 124 . 1 1 15 15 LEU HD22 H 1 0.910 0.02 . . . . . A 15 LEU HD22 . 25207 1 125 . 1 1 15 15 LEU HD23 H 1 0.910 0.02 . . . . . A 15 LEU HD23 . 25207 1 126 . 1 1 16 16 LYS H H 1 8.300 0.02 . . . . . A 16 LYS H . 25207 1 127 . 1 1 16 16 LYS HA H 1 3.900 0.02 . . . . . A 16 LYS HA . 25207 1 128 . 1 1 16 16 LYS HB2 H 1 1.740 0.02 . . . . . A 16 LYS HB2 . 25207 1 129 . 1 1 16 16 LYS HB3 H 1 1.820 0.02 . . . . . A 16 LYS HB3 . 25207 1 130 . 1 1 16 16 LYS HG2 H 1 1.390 0.02 . . . . . A 16 LYS HG2 . 25207 1 131 . 1 1 16 16 LYS HG3 H 1 1.390 0.02 . . . . . A 16 LYS HG3 . 25207 1 132 . 1 1 16 16 LYS HD2 H 1 1.670 0.02 . . . . . A 16 LYS HD2 . 25207 1 133 . 1 1 16 16 LYS HD3 H 1 1.670 0.02 . . . . . A 16 LYS HD3 . 25207 1 134 . 1 1 16 16 LYS HE2 H 1 3.290 0.02 . . . . . A 16 LYS HE2 . 25207 1 135 . 1 1 16 16 LYS HE3 H 1 3.290 0.02 . . . . . A 16 LYS HE3 . 25207 1 136 . 1 1 16 16 LYS HZ1 H 1 7.620 0.02 . . . . . A 16 LYS HZ1 . 25207 1 137 . 1 1 16 16 LYS HZ2 H 1 7.620 0.02 . . . . . A 16 LYS HZ2 . 25207 1 138 . 1 1 16 16 LYS HZ3 H 1 7.620 0.02 . . . . . A 16 LYS HZ3 . 25207 1 139 . 1 1 17 17 LYS H H 1 7.800 0.02 . . . . . A 17 LYS H . 25207 1 140 . 1 1 17 17 LYS HA H 1 4.150 0.02 . . . . . A 17 LYS HA . 25207 1 141 . 1 1 17 17 LYS HB2 H 1 1.610 0.02 . . . . . A 17 LYS HB2 . 25207 1 142 . 1 1 17 17 LYS HB3 H 1 2.000 0.02 . . . . . A 17 LYS HB3 . 25207 1 143 . 1 1 17 17 LYS HG2 H 1 1.550 0.02 . . . . . A 17 LYS HG2 . 25207 1 144 . 1 1 17 17 LYS HG3 H 1 1.550 0.02 . . . . . A 17 LYS HG3 . 25207 1 145 . 1 1 17 17 LYS HD2 H 1 1.800 0.02 . . . . . A 17 LYS HD2 . 25207 1 146 . 1 1 17 17 LYS HD3 H 1 1.800 0.02 . . . . . A 17 LYS HD3 . 25207 1 147 . 1 1 17 17 LYS HE2 H 1 3.290 0.02 . . . . . A 17 LYS HE2 . 25207 1 148 . 1 1 17 17 LYS HE3 H 1 3.290 0.02 . . . . . A 17 LYS HE3 . 25207 1 149 . 1 1 17 17 LYS HZ1 H 1 7.620 0.02 . . . . . A 17 LYS HZ1 . 25207 1 150 . 1 1 17 17 LYS HZ2 H 1 7.620 0.02 . . . . . A 17 LYS HZ2 . 25207 1 151 . 1 1 17 17 LYS HZ3 H 1 7.620 0.02 . . . . . A 17 LYS HZ3 . 25207 1 152 . 1 1 18 18 GLN H H 1 7.940 0.02 . . . . . A 18 GLN H . 25207 1 153 . 1 1 18 18 GLN HA H 1 4.180 0.02 . . . . . A 18 GLN HA . 25207 1 154 . 1 1 18 18 GLN HB2 H 1 2.470 0.02 . . . . . A 18 GLN HB2 . 25207 1 155 . 1 1 18 18 GLN HB3 H 1 2.270 0.02 . . . . . A 18 GLN HB3 . 25207 1 156 . 1 1 18 18 GLN HG2 H 1 2.520 0.02 . . . . . A 18 GLN HG2 . 25207 1 157 . 1 1 18 18 GLN HG3 H 1 2.520 0.02 . . . . . A 18 GLN HG3 . 25207 1 158 . 1 1 18 18 GLN HE21 H 1 7.160 0.02 . . . . . A 18 GLN HE21 . 25207 1 159 . 1 1 18 18 GLN HE22 H 1 7.250 0.02 . . . . . A 18 GLN HE22 . 25207 1 160 . 1 1 19 19 LEU H H 1 8.300 0.02 . . . . . A 19 LEU H . 25207 1 161 . 1 1 19 19 LEU HA H 1 4.270 0.02 . . . . . A 19 LEU HA . 25207 1 162 . 1 1 19 19 LEU HB2 H 1 1.860 0.02 . . . . . A 19 LEU HB2 . 25207 1 163 . 1 1 19 19 LEU HB3 H 1 1.860 0.02 . . . . . A 19 LEU HB3 . 25207 1 164 . 1 1 19 19 LEU HG H 1 1.610 0.02 . . . . . A 19 LEU HG . 25207 1 165 . 1 1 19 19 LEU HD11 H 1 0.910 0.02 . . . . . A 19 LEU HD11 . 25207 1 166 . 1 1 19 19 LEU HD12 H 1 0.910 0.02 . . . . . A 19 LEU HD12 . 25207 1 167 . 1 1 19 19 LEU HD13 H 1 0.910 0.02 . . . . . A 19 LEU HD13 . 25207 1 168 . 1 1 19 19 LEU HD21 H 1 0.910 0.02 . . . . . A 19 LEU HD21 . 25207 1 169 . 1 1 19 19 LEU HD22 H 1 0.910 0.02 . . . . . A 19 LEU HD22 . 25207 1 170 . 1 1 19 19 LEU HD23 H 1 0.910 0.02 . . . . . A 19 LEU HD23 . 25207 1 171 . 1 1 20 20 GLU H H 1 7.800 0.02 . . . . . A 20 GLU H . 25207 1 172 . 1 1 20 20 GLU HA H 1 4.260 0.02 . . . . . A 20 GLU HA . 25207 1 173 . 1 1 20 20 GLU HB2 H 1 2.010 0.02 . . . . . A 20 GLU HB2 . 25207 1 174 . 1 1 20 20 GLU HB3 H 1 2.180 0.02 . . . . . A 20 GLU HB3 . 25207 1 175 . 1 1 20 20 GLU HG2 H 1 2.440 0.02 . . . . . A 20 GLU HG2 . 25207 1 176 . 1 1 20 20 GLU HG3 H 1 2.440 0.02 . . . . . A 20 GLU HG3 . 25207 1 stop_ save_