################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7065 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY' 1 $sample_1 . 7065 1 2 '2D TOCSY' 1 $sample_1 . 7065 1 3 '2D DQF-COSY' 1 $sample_1 . 7065 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.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 GLY HA2 H 1 4.010 0.01 . 1 . . . . . . . . . 7065 1 2 . 1 1 1 1 GLY HA3 H 1 3.870 0.01 . 2 . . . . . . . . . 7065 1 3 . 1 1 2 2 ILE H H 1 9.000 0.01 . 1 . . . . . . . . . 7065 1 4 . 1 1 2 2 ILE HA H 1 4.080 0.01 . 1 . . . . . . . . . 7065 1 5 . 1 1 2 2 ILE HB H 1 1.870 0.01 . 1 . . . . . . . . . 7065 1 6 . 1 1 2 2 ILE HG12 H 1 1.290 0.01 . 2 . . . . . . . . . 7065 1 7 . 1 1 2 2 ILE HG13 H 1 1.530 0.01 . 2 . . . . . . . . . 7065 1 8 . 1 1 2 2 ILE HD11 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1 9 . 1 1 2 2 ILE HD12 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1 10 . 1 1 2 2 ILE HD13 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1 11 . 1 1 3 3 LEU H H 1 8.580 0.01 . 1 . . . . . . . . . 7065 1 12 . 1 1 3 3 LEU HA H 1 4.140 0.01 . 1 . . . . . . . . . 7065 1 13 . 1 1 3 3 LEU HB2 H 1 1.800 0.01 . 2 . . . . . . . . . 7065 1 14 . 1 1 3 3 LEU HB3 H 1 1.540 0.01 . 2 . . . . . . . . . 7065 1 15 . 1 1 3 3 LEU HG H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1 16 . 1 1 3 3 LEU HD11 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1 17 . 1 1 3 3 LEU HD12 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1 18 . 1 1 3 3 LEU HD13 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1 19 . 1 1 3 3 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 20 . 1 1 3 3 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 21 . 1 1 3 3 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 22 . 1 1 4 4 ASP H H 1 7.950 0.01 . 1 . . . . . . . . . 7065 1 23 . 1 1 4 4 ASP HA H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1 24 . 1 1 4 4 ASP HB2 H 1 2.950 0.01 . 2 . . . . . . . . . 7065 1 25 . 1 1 4 4 ASP HB3 H 1 2.830 0.01 . 2 . . . . . . . . . 7065 1 26 . 1 1 5 5 THR H H 1 8.000 0.01 . 1 . . . . . . . . . 7065 1 27 . 1 1 5 5 THR HA H 1 4.260 0.01 . 1 . . . . . . . . . 7065 1 28 . 1 1 5 5 THR HB H 1 3.920 0.01 . 1 . . . . . . . . . 7065 1 29 . 1 1 5 5 THR HG21 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1 30 . 1 1 5 5 THR HG22 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1 31 . 1 1 5 5 THR HG23 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1 32 . 1 1 6 6 LEU H H 1 8.330 0.01 . 1 . . . . . . . . . 7065 1 33 . 1 1 6 6 LEU HA H 1 4.120 0.01 . 1 . . . . . . . . . 7065 1 34 . 1 1 6 6 LEU HB2 H 1 1.920 0.01 . 2 . . . . . . . . . 7065 1 35 . 1 1 6 6 LEU HB3 H 1 1.500 0.01 . 2 . . . . . . . . . 7065 1 36 . 1 1 6 6 LEU HG H 1 1.840 0.01 . 1 . . . . . . . . . 7065 1 37 . 1 1 6 6 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 38 . 1 1 6 6 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 39 . 1 1 6 6 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 40 . 1 1 6 6 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 41 . 1 1 6 6 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 42 . 1 1 6 6 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 43 . 1 1 7 7 LYS H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1 44 . 1 1 7 7 LYS HA H 1 4.020 0.01 . 1 . . . . . . . . . 7065 1 45 . 1 1 7 7 LYS HB2 H 1 2.020 0.01 . 2 . . . . . . . . . 7065 1 46 . 1 1 7 7 LYS HB3 H 1 1.090 0.01 . 2 . . . . . . . . . 7065 1 47 . 1 1 7 7 LYS HG2 H 1 1.490 0.01 . 1 . . . . . . . . . 7065 1 48 . 1 1 7 7 LYS HG3 H 1 1.490 0.01 . 1 . . . . . . . . . 7065 1 49 . 1 1 7 7 LYS HD2 H 1 1.680 0.01 . 1 . . . . . . . . . 7065 1 50 . 1 1 7 7 LYS HD3 H 1 1.680 0.01 . 1 . . . . . . . . . 7065 1 51 . 1 1 7 7 LYS HE2 H 1 2.910 0.01 . 1 . . . . . . . . . 7065 1 52 . 1 1 7 7 LYS HE3 H 1 2.910 0.01 . 1 . . . . . . . . . 7065 1 53 . 1 1 7 7 LYS HZ1 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1 54 . 1 1 7 7 LYS HZ2 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1 55 . 1 1 7 7 LYS HZ3 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1 56 . 1 1 8 8 GLN H H 1 8.140 0.01 . 1 . . . . . . . . . 7065 1 57 . 1 1 8 8 GLN HA H 1 4.040 0.01 . 1 . . . . . . . . . 7065 1 58 . 1 1 8 8 GLN HB2 H 1 2.220 0.01 . 2 . . . . . . . . . 7065 1 59 . 1 1 8 8 GLN HB3 H 1 2.140 0.01 . 2 . . . . . . . . . 7065 1 60 . 1 1 8 8 GLN HG2 H 1 2.420 0.01 . 1 . . . . . . . . . 7065 1 61 . 1 1 8 8 GLN HG3 H 1 2.420 0.01 . 1 . . . . . . . . . 7065 1 62 . 1 1 8 8 GLN HE21 H 1 6.920 0.01 . 2 . . . . . . . . . 7065 1 63 . 1 1 8 8 GLN HE22 H 1 7.570 0.01 . 2 . . . . . . . . . 7065 1 64 . 1 1 9 9 PHE H H 1 8.430 0.01 . 1 . . . . . . . . . 7065 1 65 . 1 1 9 9 PHE HA H 1 4.310 0.01 . 1 . . . . . . . . . 7065 1 66 . 1 1 9 9 PHE HB2 H 1 3.230 0.01 . 1 . . . . . . . . . 7065 1 67 . 1 1 9 9 PHE HB3 H 1 3.230 0.01 . 1 . . . . . . . . . 7065 1 68 . 1 1 9 9 PHE HE1 H 1 7.220 0.01 . 1 . . . . . . . . . 7065 1 69 . 1 1 9 9 PHE HE2 H 1 7.220 0.01 . 1 . . . . . . . . . 7065 1 70 . 1 1 10 10 ALA H H 1 8.420 0.01 . 1 . . . . . . . . . 7065 1 71 . 1 1 10 10 ALA HA H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1 72 . 1 1 10 10 ALA HB1 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1 73 . 1 1 10 10 ALA HB2 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1 74 . 1 1 10 10 ALA HB3 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1 75 . 1 1 11 11 LYS H H 1 8.090 0.01 . 1 . . . . . . . . . 7065 1 76 . 1 1 11 11 LYS HA H 1 4.070 0.01 . 1 . . . . . . . . . 7065 1 77 . 1 1 11 11 LYS HB2 H 1 1.920 0.01 . 1 . . . . . . . . . 7065 1 78 . 1 1 11 11 LYS HB3 H 1 1.920 0.01 . 1 . . . . . . . . . 7065 1 79 . 1 1 11 11 LYS HG2 H 1 1.440 0.01 . 2 . . . . . . . . . 7065 1 80 . 1 1 11 11 LYS HG3 H 1 1.400 0.01 . 2 . . . . . . . . . 7065 1 81 . 1 1 11 11 LYS HD2 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1 82 . 1 1 11 11 LYS HD3 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1 83 . 1 1 11 11 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 84 . 1 1 11 11 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 85 . 1 1 11 11 LYS HZ1 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1 86 . 1 1 11 11 LYS HZ2 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1 87 . 1 1 11 11 LYS HZ3 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1 88 . 1 1 12 12 GLY H H 1 8.120 0.01 . 1 . . . . . . . . . 7065 1 89 . 1 1 12 12 GLY HA2 H 1 3.870 0.01 . 2 . . . . . . . . . 7065 1 90 . 1 1 12 12 GLY HA3 H 1 3.790 0.01 . 2 . . . . . . . . . 7065 1 91 . 1 1 13 13 VAL H H 1 8.130 0.01 . 1 . . . . . . . . . 7065 1 92 . 1 1 13 13 VAL HA H 1 3.680 0.01 . 1 . . . . . . . . . 7065 1 93 . 1 1 13 13 VAL HB H 1 1.990 0.01 . 1 . . . . . . . . . 7065 1 94 . 1 1 13 13 VAL HG11 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1 95 . 1 1 13 13 VAL HG12 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1 96 . 1 1 13 13 VAL HG13 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1 97 . 1 1 13 13 VAL HG21 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1 98 . 1 1 13 13 VAL HG22 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1 99 . 1 1 13 13 VAL HG23 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1 100 . 1 1 14 14 GLY H H 1 8.300 0.01 . 1 . . . . . . . . . 7065 1 101 . 1 1 14 14 GLY HA2 H 1 3.830 0.01 . 2 . . . . . . . . . 7065 1 102 . 1 1 14 14 GLY HA3 H 1 3.690 0.01 . 2 . . . . . . . . . 7065 1 103 . 1 1 15 15 LYS H H 1 8.020 0.01 . 1 . . . . . . . . . 7065 1 104 . 1 1 15 15 LYS HA H 1 4.000 0.01 . 1 . . . . . . . . . 7065 1 105 . 1 1 15 15 LYS HB2 H 1 1.900 0.01 . 1 . . . . . . . . . 7065 1 106 . 1 1 15 15 LYS HB3 H 1 1.900 0.01 . 1 . . . . . . . . . 7065 1 107 . 1 1 15 15 LYS HG2 H 1 1.410 0.01 . 1 . . . . . . . . . 7065 1 108 . 1 1 15 15 LYS HG3 H 1 1.410 0.01 . 1 . . . . . . . . . 7065 1 109 . 1 1 15 15 LYS HD2 H 1 1.670 0.01 . 2 . . . . . . . . . 7065 1 110 . 1 1 15 15 LYS HD3 H 1 1.610 0.01 . 2 . . . . . . . . . 7065 1 111 . 1 1 15 15 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 112 . 1 1 15 15 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 113 . 1 1 15 15 LYS HZ1 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 114 . 1 1 15 15 LYS HZ2 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 115 . 1 1 15 15 LYS HZ3 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 116 . 1 1 16 16 ASP H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1 117 . 1 1 16 16 ASP HA H 1 4.400 0.01 . 1 . . . . . . . . . 7065 1 118 . 1 1 16 16 ASP HB2 H 1 3.070 0.01 . 2 . . . . . . . . . 7065 1 119 . 1 1 16 16 ASP HB3 H 1 2.830 0.01 . 2 . . . . . . . . . 7065 1 120 . 1 1 17 17 LEU H H 1 8.350 0.01 . 1 . . . . . . . . . 7065 1 121 . 1 1 17 17 LEU HA H 1 4.140 0.01 . 1 . . . . . . . . . 7065 1 122 . 1 1 17 17 LEU HB2 H 1 1.950 0.01 . 2 . . . . . . . . . 7065 1 123 . 1 1 17 17 LEU HB3 H 1 1.510 0.01 . 2 . . . . . . . . . 7065 1 124 . 1 1 17 17 LEU HG H 1 1.850 0.01 . 1 . . . . . . . . . 7065 1 125 . 1 1 17 17 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 126 . 1 1 17 17 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 127 . 1 1 17 17 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 128 . 1 1 17 17 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 129 . 1 1 17 17 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 130 . 1 1 17 17 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 131 . 1 1 18 18 VAL H H 1 7.970 0.01 . 1 . . . . . . . . . 7065 1 132 . 1 1 18 18 VAL HA H 1 3.720 0.01 . 1 . . . . . . . . . 7065 1 133 . 1 1 18 18 VAL HB H 1 2.170 0.01 . 1 . . . . . . . . . 7065 1 134 . 1 1 18 18 VAL HG11 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1 135 . 1 1 18 18 VAL HG12 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1 136 . 1 1 18 18 VAL HG13 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1 137 . 1 1 18 18 VAL HG21 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1 138 . 1 1 18 18 VAL HG22 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1 139 . 1 1 18 18 VAL HG23 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1 140 . 1 1 19 19 LYS H H 1 8.240 0.01 . 1 . . . . . . . . . 7065 1 141 . 1 1 19 19 LYS HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1 142 . 1 1 19 19 LYS HB2 H 1 1.910 0.01 . 1 . . . . . . . . . 7065 1 143 . 1 1 19 19 LYS HB3 H 1 1.910 0.01 . 1 . . . . . . . . . 7065 1 144 . 1 1 19 19 LYS HG2 H 1 1.440 0.01 . 1 . . . . . . . . . 7065 1 145 . 1 1 19 19 LYS HG3 H 1 1.440 0.01 . 1 . . . . . . . . . 7065 1 146 . 1 1 19 19 LYS HD2 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1 147 . 1 1 19 19 LYS HD3 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1 148 . 1 1 19 19 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 149 . 1 1 19 19 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1 150 . 1 1 19 19 LYS HZ1 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 151 . 1 1 19 19 LYS HZ2 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 152 . 1 1 19 19 LYS HZ3 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1 153 . 1 1 20 20 GLY H H 1 8.420 0.01 . 1 . . . . . . . . . 7065 1 154 . 1 1 20 20 GLY HA2 H 1 3.870 0.01 . 1 . . . . . . . . . 7065 1 155 . 1 1 20 20 GLY HA3 H 1 3.870 0.01 . 1 . . . . . . . . . 7065 1 156 . 1 1 21 21 ALA H H 1 8.230 0.01 . 1 . . . . . . . . . 7065 1 157 . 1 1 21 21 ALA HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1 158 . 1 1 21 21 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 159 . 1 1 21 21 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 160 . 1 1 21 21 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 161 . 1 1 22 22 ALA H H 1 8.310 0.01 . 1 . . . . . . . . . 7065 1 162 . 1 1 22 22 ALA HA H 1 4.070 0.01 . 1 . . . . . . . . . 7065 1 163 . 1 1 22 22 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 164 . 1 1 22 22 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 165 . 1 1 22 22 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 166 . 1 1 23 23 GLN H H 1 8.340 0.01 . 1 . . . . . . . . . 7065 1 167 . 1 1 23 23 GLN HA H 1 4.030 0.01 . 1 . . . . . . . . . 7065 1 168 . 1 1 23 23 GLN HB2 H 1 2.230 0.01 . 2 . . . . . . . . . 7065 1 169 . 1 1 23 23 GLN HB3 H 1 2.140 0.01 . 2 . . . . . . . . . 7065 1 170 . 1 1 23 23 GLN HG2 H 1 2.460 0.01 . 2 . . . . . . . . . 7065 1 171 . 1 1 23 23 GLN HG3 H 1 2.370 0.01 . 2 . . . . . . . . . 7065 1 172 . 1 1 24 24 GLY H H 1 8.300 0.01 . 1 . . . . . . . . . 7065 1 173 . 1 1 24 24 GLY HA2 H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1 174 . 1 1 24 24 GLY HA3 H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1 175 . 1 1 25 25 VAL H H 1 8.100 0.01 . 1 . . . . . . . . . 7065 1 176 . 1 1 25 25 VAL HA H 1 3.760 0.01 . 1 . . . . . . . . . 7065 1 177 . 1 1 25 25 VAL HB H 1 2.210 0.01 . 1 . . . . . . . . . 7065 1 178 . 1 1 25 25 VAL HG11 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1 179 . 1 1 25 25 VAL HG12 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1 180 . 1 1 25 25 VAL HG13 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1 181 . 1 1 25 25 VAL HG21 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 182 . 1 1 25 25 VAL HG22 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 183 . 1 1 25 25 VAL HG23 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 184 . 1 1 26 26 LEU H H 1 8.250 0.01 . 1 . . . . . . . . . 7065 1 185 . 1 1 26 26 LEU HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1 186 . 1 1 26 26 LEU HB2 H 1 1.810 0.01 . 2 . . . . . . . . . 7065 1 187 . 1 1 26 26 LEU HB3 H 1 1.420 0.01 . 2 . . . . . . . . . 7065 1 188 . 1 1 26 26 LEU HG H 1 1.640 0.01 . 1 . . . . . . . . . 7065 1 189 . 1 1 26 26 LEU HD11 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 190 . 1 1 26 26 LEU HD12 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 191 . 1 1 26 26 LEU HD13 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 192 . 1 1 26 26 LEU HD21 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 193 . 1 1 26 26 LEU HD22 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 194 . 1 1 26 26 LEU HD23 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1 195 . 1 1 27 27 SER H H 1 8.520 0.01 . 1 . . . . . . . . . 7065 1 196 . 1 1 27 27 SER HA H 1 4.170 0.01 . 1 . . . . . . . . . 7065 1 197 . 1 1 27 27 SER HB2 H 1 4.010 0.01 . 2 . . . . . . . . . 7065 1 198 . 1 1 27 27 SER HB3 H 1 3.930 0.01 . 2 . . . . . . . . . 7065 1 199 . 1 1 28 28 THR H H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1 200 . 1 1 28 28 THR HA H 1 4.430 0.01 . 1 . . . . . . . . . 7065 1 201 . 1 1 28 28 THR HB H 1 4.300 0.01 . 1 . . . . . . . . . 7065 1 202 . 1 1 28 28 THR HG21 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1 203 . 1 1 28 28 THR HG22 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1 204 . 1 1 28 28 THR HG23 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1 205 . 1 1 29 29 VAL H H 1 8.290 0.01 . 1 . . . . . . . . . 7065 1 206 . 1 1 29 29 VAL HA H 1 3.580 0.01 . 1 . . . . . . . . . 7065 1 207 . 1 1 29 29 VAL HB H 1 2.170 0.01 . 1 . . . . . . . . . 7065 1 208 . 1 1 29 29 VAL HG11 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1 209 . 1 1 29 29 VAL HG12 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1 210 . 1 1 29 29 VAL HG13 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1 211 . 1 1 29 29 VAL HG21 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 212 . 1 1 29 29 VAL HG22 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 213 . 1 1 29 29 VAL HG23 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1 214 . 1 1 30 30 SER H H 1 8.090 0.01 . 1 . . . . . . . . . 7065 1 215 . 1 1 30 30 SER HA H 1 4.120 0.01 . 1 . . . . . . . . . 7065 1 216 . 1 1 30 30 SER HB2 H 1 3.990 0.01 . 2 . . . . . . . . . 7065 1 217 . 1 1 30 30 SER HB3 H 1 3.880 0.01 . 2 . . . . . . . . . 7065 1 218 . 1 1 31 31 CYS H H 1 8.860 0.01 . 1 . . . . . . . . . 7065 1 219 . 1 1 31 31 CYS HA H 1 4.570 0.01 . 1 . . . . . . . . . 7065 1 220 . 1 1 31 31 CYS HB2 H 1 3.580 0.01 . 2 . . . . . . . . . 7065 1 221 . 1 1 31 31 CYS HB3 H 1 2.880 0.01 . 2 . . . . . . . . . 7065 1 222 . 1 1 32 32 LYS H H 1 8.430 0.01 . 1 . . . . . . . . . 7065 1 223 . 1 1 32 32 LYS HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1 224 . 1 1 32 32 LYS HB2 H 1 2.180 0.01 . 1 . . . . . . . . . 7065 1 225 . 1 1 32 32 LYS HB3 H 1 2.180 0.01 . 1 . . . . . . . . . 7065 1 226 . 1 1 32 32 LYS HG2 H 1 1.700 0.01 . 2 . . . . . . . . . 7065 1 227 . 1 1 32 32 LYS HG3 H 1 1.450 0.01 . 2 . . . . . . . . . 7065 1 228 . 1 1 32 32 LYS HD2 H 1 1.820 0.01 . 2 . . . . . . . . . 7065 1 229 . 1 1 32 32 LYS HD3 H 1 1.520 0.01 . 2 . . . . . . . . . 7065 1 230 . 1 1 32 32 LYS HE2 H 1 2.840 0.01 . 2 . . . . . . . . . 7065 1 231 . 1 1 32 32 LYS HE3 H 1 2.790 0.01 . 2 . . . . . . . . . 7065 1 232 . 1 1 32 32 LYS HZ1 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 233 . 1 1 32 32 LYS HZ2 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 234 . 1 1 32 32 LYS HZ3 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 235 . 1 1 33 33 LEU H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1 236 . 1 1 33 33 LEU HA H 1 4.100 0.01 . 1 . . . . . . . . . 7065 1 237 . 1 1 33 33 LEU HB2 H 1 1.900 0.01 . 2 . . . . . . . . . 7065 1 238 . 1 1 33 33 LEU HB3 H 1 1.520 0.01 . 2 . . . . . . . . . 7065 1 239 . 1 1 33 33 LEU HG H 1 1.700 0.01 . 1 . . . . . . . . . 7065 1 240 . 1 1 33 33 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 241 . 1 1 33 33 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 242 . 1 1 33 33 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 243 . 1 1 33 33 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 244 . 1 1 33 33 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 245 . 1 1 33 33 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1 246 . 1 1 34 34 ALA H H 1 7.820 0.01 . 1 . . . . . . . . . 7065 1 247 . 1 1 34 34 ALA HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1 248 . 1 1 34 34 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 249 . 1 1 34 34 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 250 . 1 1 34 34 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1 251 . 1 1 35 35 LYS H H 1 7.770 0.01 . 1 . . . . . . . . . 7065 1 252 . 1 1 35 35 LYS HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1 253 . 1 1 35 35 LYS HB2 H 1 2.290 0.01 . 2 . . . . . . . . . 7065 1 254 . 1 1 35 35 LYS HB3 H 1 2.030 0.01 . 2 . . . . . . . . . 7065 1 255 . 1 1 35 35 LYS HG2 H 1 1.450 0.01 . 1 . . . . . . . . . 7065 1 256 . 1 1 35 35 LYS HG3 H 1 1.450 0.01 . 1 . . . . . . . . . 7065 1 257 . 1 1 35 35 LYS HD2 H 1 1.800 0.01 . 2 . . . . . . . . . 7065 1 258 . 1 1 35 35 LYS HD3 H 1 1.680 0.01 . 2 . . . . . . . . . 7065 1 259 . 1 1 35 35 LYS HE2 H 1 3.000 0.01 . 1 . . . . . . . . . 7065 1 260 . 1 1 35 35 LYS HE3 H 1 3.000 0.01 . 1 . . . . . . . . . 7065 1 261 . 1 1 35 35 LYS HZ1 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 262 . 1 1 35 35 LYS HZ2 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 263 . 1 1 35 35 LYS HZ3 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1 264 . 1 1 36 36 THR H H 1 8.670 0.01 . 1 . . . . . . . . . 7065 1 265 . 1 1 36 36 THR HA H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1 266 . 1 1 36 36 THR HB H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1 267 . 1 1 36 36 THR HG21 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1 268 . 1 1 36 36 THR HG22 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1 269 . 1 1 36 36 THR HG23 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1 270 . 1 1 37 37 CYS H H 1 7.730 0.01 . 1 . . . . . . . . . 7065 1 271 . 1 1 37 37 CYS HA H 1 4.420 0.01 . 1 . . . . . . . . . 7065 1 272 . 1 1 37 37 CYS HB2 H 1 3.880 0.01 . 2 . . . . . . . . . 7065 1 273 . 1 1 37 37 CYS HB3 H 1 2.680 0.01 . 2 . . . . . . . . . 7065 1 stop_ save_