################################### # 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 4714 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 $sample_1 . 4714 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 5 5 ALA H H 1 8.080 0.02 . 1 . . . . . . . . 4714 1 2 . 1 1 5 5 ALA HA H 1 4.100 0.02 . 1 . . . . . . . . 4714 1 3 . 1 1 5 5 ALA HB1 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 4 . 1 1 5 5 ALA HB2 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 5 . 1 1 5 5 ALA HB3 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 6 . 1 1 6 6 THR H H 1 8.170 0.02 . 1 . . . . . . . . 4714 1 7 . 1 1 6 6 THR HA H 1 4.050 0.02 . 1 . . . . . . . . 4714 1 8 . 1 1 6 6 THR HB H 1 3.940 0.02 . 1 . . . . . . . . 4714 1 9 . 1 1 6 6 THR HG21 H 1 0.970 0.02 . 1 . . . . . . . . 4714 1 10 . 1 1 6 6 THR HG22 H 1 0.970 0.02 . 1 . . . . . . . . 4714 1 11 . 1 1 6 6 THR HG23 H 1 0.970 0.02 . 1 . . . . . . . . 4714 1 12 . 1 1 7 7 ALA H H 1 8.170 0.02 . 1 . . . . . . . . 4714 1 13 . 1 1 7 7 ALA HA H 1 4.100 0.02 . 1 . . . . . . . . 4714 1 14 . 1 1 7 7 ALA HB1 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 15 . 1 1 7 7 ALA HB2 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 16 . 1 1 7 7 ALA HB3 H 1 1.150 0.02 . 1 . . . . . . . . 4714 1 17 . 1 1 8 8 VAL H H 1 8.050 0.02 . 1 . . . . . . . . 4714 1 18 . 1 1 8 8 VAL HA H 1 3.840 0.02 . 1 . . . . . . . . 4714 1 19 . 1 1 8 8 VAL HB H 1 1.820 0.02 . 1 . . . . . . . . 4714 1 20 . 1 1 8 8 VAL HG11 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 21 . 1 1 8 8 VAL HG12 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 22 . 1 1 8 8 VAL HG13 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 23 . 1 1 8 8 VAL HG21 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 24 . 1 1 8 8 VAL HG22 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 25 . 1 1 8 8 VAL HG23 H 1 0.700 0.02 . 1 . . . . . . . . 4714 1 26 . 1 1 9 9 SER H H 1 8.220 0.02 . 1 . . . . . . . . 4714 1 27 . 1 1 9 9 SER HA H 1 4.250 0.02 . 1 . . . . . . . . 4714 1 28 . 1 1 9 9 SER HB2 H 1 3.770 0.02 . 2 . . . . . . . . 4714 1 29 . 1 1 9 9 SER HB3 H 1 3.640 0.02 . 2 . . . . . . . . 4714 1 30 . 1 1 10 10 GLU H H 1 8.630 0.02 . 1 . . . . . . . . 4714 1 31 . 1 1 10 10 GLU HA H 1 3.940 0.02 . 1 . . . . . . . . 4714 1 32 . 1 1 10 10 GLU HB2 H 1 1.640 0.02 . 2 . . . . . . . . 4714 1 33 . 1 1 10 10 GLU HB3 H 1 1.560 0.02 . 2 . . . . . . . . 4714 1 34 . 1 1 10 10 GLU HG2 H 1 1.740 0.02 . 1 . . . . . . . . 4714 1 35 . 1 1 10 10 GLU HG3 H 1 1.740 0.02 . 1 . . . . . . . . 4714 1 36 . 1 1 11 11 TRP H H 1 8.040 0.02 . 1 . . . . . . . . 4714 1 37 . 1 1 11 11 TRP HA H 1 5.100 0.02 . 1 . . . . . . . . 4714 1 38 . 1 1 11 11 TRP HB2 H 1 2.860 0.02 . 2 . . . . . . . . 4714 1 39 . 1 1 11 11 TRP HB3 H 1 2.670 0.02 . 2 . . . . . . . . 4714 1 40 . 1 1 11 11 TRP HD1 H 1 6.950 0.02 . 1 . . . . . . . . 4714 1 41 . 1 1 11 11 TRP HE3 H 1 7.090 0.02 . 1 . . . . . . . . 4714 1 42 . 1 1 11 11 TRP HZ3 H 1 6.720 0.02 . 1 . . . . . . . . 4714 1 43 . 1 1 11 11 TRP HZ2 H 1 7.260 0.02 . 1 . . . . . . . . 4714 1 44 . 1 1 11 11 TRP HH2 H 1 6.850 0.02 . 1 . . . . . . . . 4714 1 45 . 1 1 12 12 THR H H 1 9.260 0.02 . 1 . . . . . . . . 4714 1 46 . 1 1 12 12 THR HA H 1 4.290 0.02 . 1 . . . . . . . . 4714 1 47 . 1 1 12 12 THR HB H 1 3.640 0.02 . 1 . . . . . . . . 4714 1 48 . 1 1 12 12 THR HG21 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 49 . 1 1 12 12 THR HG22 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 50 . 1 1 12 12 THR HG23 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 51 . 1 1 13 13 GLU H H 1 8.350 0.02 . 1 . . . . . . . . 4714 1 52 . 1 1 13 13 GLU HA H 1 4.150 0.02 . 1 . . . . . . . . 4714 1 53 . 1 1 13 13 GLU HB2 H 1 1.570 0.02 . 1 . . . . . . . . 4714 1 54 . 1 1 13 13 GLU HB3 H 1 1.570 0.02 . 1 . . . . . . . . 4714 1 55 . 1 1 13 13 GLU HG2 H 1 1.570 0.02 . 1 . . . . . . . . 4714 1 56 . 1 1 13 13 GLU HG3 H 1 1.570 0.02 . 1 . . . . . . . . 4714 1 57 . 1 1 14 14 TYR H H 1 8.410 0.02 . 1 . . . . . . . . 4714 1 58 . 1 1 14 14 TYR HA H 1 4.330 0.02 . 1 . . . . . . . . 4714 1 59 . 1 1 14 14 TYR HB2 H 1 2.260 0.02 . 1 . . . . . . . . 4714 1 60 . 1 1 14 14 TYR HB3 H 1 0.940 0.02 . 2 . . . . . . . . 4714 1 61 . 1 1 14 14 TYR HD1 H 1 6.580 0.02 . 1 . . . . . . . . 4714 1 62 . 1 1 14 14 TYR HE1 H 1 6.330 0.02 . 1 . . . . . . . . 4714 1 63 . 1 1 14 14 TYR HE2 H 1 6.330 0.02 . 1 . . . . . . . . 4714 1 64 . 1 1 14 14 TYR HD2 H 1 6.580 0.02 . 1 . . . . . . . . 4714 1 65 . 1 1 15 15 LYS H H 1 8.000 0.02 . 1 . . . . . . . . 4714 1 66 . 1 1 15 15 LYS HA H 1 5.230 0.02 . 1 . . . . . . . . 4714 1 67 . 1 1 15 15 LYS HB2 H 1 1.450 0.02 . 2 . . . . . . . . 4714 1 68 . 1 1 15 15 LYS HB3 H 1 1.380 0.02 . 2 . . . . . . . . 4714 1 69 . 1 1 15 15 LYS HG2 H 1 1.290 0.02 . 1 . . . . . . . . 4714 1 70 . 1 1 15 15 LYS HG3 H 1 1.290 0.02 . 1 . . . . . . . . 4714 1 71 . 1 1 15 15 LYS HD2 H 1 1.110 0.02 . 1 . . . . . . . . 4714 1 72 . 1 1 15 15 LYS HD3 H 1 1.110 0.02 . 1 . . . . . . . . 4714 1 73 . 1 1 15 15 LYS HE2 H 1 2.630 0.02 . 1 . . . . . . . . 4714 1 74 . 1 1 15 15 LYS HE3 H 1 2.630 0.02 . 1 . . . . . . . . 4714 1 75 . 1 1 16 16 THR H H 1 9.090 0.02 . 1 . . . . . . . . 4714 1 76 . 1 1 16 16 THR HA H 1 4.580 0.02 . 1 . . . . . . . . 4714 1 77 . 1 1 16 16 THR HB H 1 4.420 0.02 . 1 . . . . . . . . 4714 1 78 . 1 1 16 16 THR HG21 H 1 1.300 0.02 . 1 . . . . . . . . 4714 1 79 . 1 1 16 16 THR HG22 H 1 1.300 0.02 . 1 . . . . . . . . 4714 1 80 . 1 1 16 16 THR HG23 H 1 1.300 0.02 . 1 . . . . . . . . 4714 1 81 . 1 1 17 17 ALA H H 1 9.040 0.02 . 1 . . . . . . . . 4714 1 82 . 1 1 17 17 ALA HA H 1 3.920 0.02 . 1 . . . . . . . . 4714 1 83 . 1 1 17 17 ALA HB1 H 1 1.250 0.02 . 1 . . . . . . . . 4714 1 84 . 1 1 17 17 ALA HB2 H 1 1.250 0.02 . 1 . . . . . . . . 4714 1 85 . 1 1 17 17 ALA HB3 H 1 1.250 0.02 . 1 . . . . . . . . 4714 1 86 . 1 1 18 18 ASP H H 1 7.840 0.02 . 1 . . . . . . . . 4714 1 87 . 1 1 18 18 ASP HA H 1 3.920 0.02 . 1 . . . . . . . . 4714 1 88 . 1 1 18 18 ASP HB2 H 1 2.600 0.02 . 2 . . . . . . . . 4714 1 89 . 1 1 18 18 ASP HB3 H 1 2.420 0.02 . 2 . . . . . . . . 4714 1 90 . 1 1 19 19 GLY H H 1 7.790 0.02 . 1 . . . . . . . . 4714 1 91 . 1 1 19 19 GLY HA2 H 1 3.950 0.02 . 1 . . . . . . . . 4714 1 92 . 1 1 19 19 GLY HA3 H 1 3.390 0.02 . 1 . . . . . . . . 4714 1 93 . 1 1 20 20 LYS H H 1 7.710 0.02 . 1 . . . . . . . . 4714 1 94 . 1 1 20 20 LYS HA H 1 4.320 0.02 . 1 . . . . . . . . 4714 1 95 . 1 1 20 20 LYS HB2 H 1 1.750 0.02 . 2 . . . . . . . . 4714 1 96 . 1 1 20 20 LYS HB3 H 1 1.280 0.02 . 2 . . . . . . . . 4714 1 97 . 1 1 20 20 LYS HG2 H 1 1.100 0.02 . 1 . . . . . . . . 4714 1 98 . 1 1 20 20 LYS HG3 H 1 1.100 0.02 . 1 . . . . . . . . 4714 1 99 . 1 1 20 20 LYS HD2 H 1 1.100 0.02 . 1 . . . . . . . . 4714 1 100 . 1 1 20 20 LYS HD3 H 1 1.100 0.02 . 1 . . . . . . . . 4714 1 101 . 1 1 20 20 LYS HE2 H 1 2.490 0.02 . 1 . . . . . . . . 4714 1 102 . 1 1 20 20 LYS HE3 H 1 2.490 0.02 . 1 . . . . . . . . 4714 1 103 . 1 1 21 21 THR H H 1 8.540 0.02 . 1 . . . . . . . . 4714 1 104 . 1 1 21 21 THR HA H 1 4.740 0.02 . 1 . . . . . . . . 4714 1 105 . 1 1 21 21 THR HB H 1 3.670 0.02 . 1 . . . . . . . . 4714 1 106 . 1 1 21 21 THR HG21 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 107 . 1 1 21 21 THR HG22 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 108 . 1 1 21 21 THR HG23 H 1 0.640 0.02 . 1 . . . . . . . . 4714 1 109 . 1 1 22 22 TYR H H 1 8.530 0.02 . 1 . . . . . . . . 4714 1 110 . 1 1 22 22 TYR HA H 1 4.450 0.02 . 1 . . . . . . . . 4714 1 111 . 1 1 22 22 TYR HB2 H 1 2.060 0.02 . 2 . . . . . . . . 4714 1 112 . 1 1 22 22 TYR HB3 H 1 2.000 0.02 . 2 . . . . . . . . 4714 1 113 . 1 1 22 22 TYR HD1 H 1 6.490 0.02 . 1 . . . . . . . . 4714 1 114 . 1 1 22 22 TYR HE1 H 1 6.110 0.02 . 1 . . . . . . . . 4714 1 115 . 1 1 22 22 TYR HE2 H 1 6.110 0.02 . 1 . . . . . . . . 4714 1 116 . 1 1 22 22 TYR HD2 H 1 6.490 0.02 . 1 . . . . . . . . 4714 1 117 . 1 1 23 23 TYR H H 1 8.670 0.02 . 1 . . . . . . . . 4714 1 118 . 1 1 23 23 TYR HA H 1 4.930 0.02 . 1 . . . . . . . . 4714 1 119 . 1 1 23 23 TYR HB2 H 1 2.430 0.02 . 1 . . . . . . . . 4714 1 120 . 1 1 23 23 TYR HB3 H 1 2.430 0.02 . 1 . . . . . . . . 4714 1 121 . 1 1 23 23 TYR HD1 H 1 6.440 0.02 . 1 . . . . . . . . 4714 1 122 . 1 1 23 23 TYR HE1 H 1 6.390 0.02 . 1 . . . . . . . . 4714 1 123 . 1 1 23 23 TYR HE2 H 1 6.390 0.02 . 1 . . . . . . . . 4714 1 124 . 1 1 23 23 TYR HD2 H 1 6.440 0.02 . 1 . . . . . . . . 4714 1 125 . 1 1 24 24 TYR H H 1 9.190 0.02 . 1 . . . . . . . . 4714 1 126 . 1 1 24 24 TYR HA H 1 5.390 0.02 . 1 . . . . . . . . 4714 1 127 . 1 1 24 24 TYR HB2 H 1 2.690 0.02 . 1 . . . . . . . . 4714 1 128 . 1 1 24 24 TYR HB3 H 1 2.690 0.02 . 1 . . . . . . . . 4714 1 129 . 1 1 24 24 TYR HD1 H 1 6.770 0.02 . 1 . . . . . . . . 4714 1 130 . 1 1 24 24 TYR HE1 H 1 6.380 0.02 . 1 . . . . . . . . 4714 1 131 . 1 1 24 24 TYR HE2 H 1 6.380 0.02 . 1 . . . . . . . . 4714 1 132 . 1 1 24 24 TYR HD2 H 1 6.770 0.02 . 1 . . . . . . . . 4714 1 133 . 1 1 25 25 ASN H H 1 8.060 0.02 . 1 . . . . . . . . 4714 1 134 . 1 1 25 25 ASN HA H 1 4.070 0.02 . 1 . . . . . . . . 4714 1 135 . 1 1 25 25 ASN HB2 H 1 2.150 0.02 . 1 . . . . . . . . 4714 1 136 . 1 1 25 25 ASN HD21 H 1 7.260 0.02 . 2 . . . . . . . . 4714 1 137 . 1 1 25 25 ASN HD22 H 1 7.000 0.02 . 2 . . . . . . . . 4714 1 138 . 1 1 26 26 ASN H H 1 8.300 0.02 . 1 . . . . . . . . 4714 1 139 . 1 1 26 26 ASN HA H 1 3.910 0.02 . 1 . . . . . . . . 4714 1 140 . 1 1 26 26 ASN HB2 H 1 2.510 0.02 . 1 . . . . . . . . 4714 1 141 . 1 1 26 26 ASN HB3 H 1 2.510 0.02 . 1 . . . . . . . . 4714 1 142 . 1 1 26 26 ASN HD21 H 1 7.140 0.02 . 2 . . . . . . . . 4714 1 143 . 1 1 26 26 ASN HD22 H 1 6.980 0.02 . 2 . . . . . . . . 4714 1 144 . 1 1 27 27 ARG H H 1 8.350 0.02 . 1 . . . . . . . . 4714 1 145 . 1 1 27 27 ARG HA H 1 4.050 0.02 . 1 . . . . . . . . 4714 1 146 . 1 1 27 27 ARG HB2 H 1 1.680 0.02 . 2 . . . . . . . . 4714 1 147 . 1 1 27 27 ARG HB3 H 1 1.360 0.02 . 2 . . . . . . . . 4714 1 148 . 1 1 27 27 ARG HG2 H 1 1.220 0.02 . 2 . . . . . . . . 4714 1 149 . 1 1 27 27 ARG HG3 H 1 1.010 0.02 . 2 . . . . . . . . 4714 1 150 . 1 1 27 27 ARG HD2 H 1 3.730 0.02 . 2 . . . . . . . . 4714 1 151 . 1 1 27 27 ARG HD3 H 1 3.010 0.02 . 2 . . . . . . . . 4714 1 152 . 1 1 27 27 ARG HE H 1 7.800 0.02 . 1 . . . . . . . . 4714 1 153 . 1 1 28 28 THR H H 1 7.760 0.02 . 1 . . . . . . . . 4714 1 154 . 1 1 28 28 THR HA H 1 3.940 0.02 . 1 . . . . . . . . 4714 1 155 . 1 1 28 28 THR HB H 1 3.740 0.02 . 1 . . . . . . . . 4714 1 156 . 1 1 28 28 THR HG21 H 1 0.690 0.02 . 1 . . . . . . . . 4714 1 157 . 1 1 28 28 THR HG22 H 1 0.690 0.02 . 1 . . . . . . . . 4714 1 158 . 1 1 28 28 THR HG23 H 1 0.690 0.02 . 1 . . . . . . . . 4714 1 159 . 1 1 29 29 LEU H H 1 7.650 0.02 . 1 . . . . . . . . 4714 1 160 . 1 1 29 29 LEU HA H 1 3.530 0.02 . 1 . . . . . . . . 4714 1 161 . 1 1 29 29 LEU HB2 H 1 1.460 0.02 . 2 . . . . . . . . 4714 1 162 . 1 1 29 29 LEU HB3 H 1 1.040 0.02 . 2 . . . . . . . . 4714 1 163 . 1 1 29 29 LEU HG H 1 1.850 0.02 . 1 . . . . . . . . 4714 1 164 . 1 1 29 29 LEU HD11 H 1 0.600 0.02 . 2 . . . . . . . . 4714 1 165 . 1 1 29 29 LEU HD12 H 1 0.600 0.02 . 2 . . . . . . . . 4714 1 166 . 1 1 29 29 LEU HD13 H 1 0.600 0.02 . 2 . . . . . . . . 4714 1 167 . 1 1 29 29 LEU HD21 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 168 . 1 1 29 29 LEU HD22 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 169 . 1 1 29 29 LEU HD23 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 170 . 1 1 30 30 GLU H H 1 6.940 0.02 . 1 . . . . . . . . 4714 1 171 . 1 1 30 30 GLU HA H 1 4.060 0.02 . 1 . . . . . . . . 4714 1 172 . 1 1 30 30 GLU HB2 H 1 1.660 0.02 . 2 . . . . . . . . 4714 1 173 . 1 1 30 30 GLU HB3 H 1 1.510 0.02 . 2 . . . . . . . . 4714 1 174 . 1 1 30 30 GLU HG2 H 1 2.000 0.02 . 2 . . . . . . . . 4714 1 175 . 1 1 30 30 GLU HG3 H 1 1.860 0.02 . 2 . . . . . . . . 4714 1 176 . 1 1 31 31 SER H H 1 8.260 0.02 . 1 . . . . . . . . 4714 1 177 . 1 1 31 31 SER HA H 1 5.790 0.02 . 1 . . . . . . . . 4714 1 178 . 1 1 31 31 SER HB2 H 1 3.440 0.02 . 1 . . . . . . . . 4714 1 179 . 1 1 31 31 SER HB3 H 1 3.440 0.02 . 1 . . . . . . . . 4714 1 180 . 1 1 32 32 THR H H 1 9.170 0.02 . 1 . . . . . . . . 4714 1 181 . 1 1 32 32 THR HA H 1 4.580 0.02 . 1 . . . . . . . . 4714 1 182 . 1 1 32 32 THR HB H 1 4.030 0.02 . 1 . . . . . . . . 4714 1 183 . 1 1 32 32 THR HG21 H 1 0.940 0.02 . 1 . . . . . . . . 4714 1 184 . 1 1 32 32 THR HG22 H 1 0.940 0.02 . 1 . . . . . . . . 4714 1 185 . 1 1 32 32 THR HG23 H 1 0.940 0.02 . 1 . . . . . . . . 4714 1 186 . 1 1 33 33 TRP H H 1 8.280 0.02 . 1 . . . . . . . . 4714 1 187 . 1 1 33 33 TRP HA H 1 4.760 0.02 . 1 . . . . . . . . 4714 1 188 . 1 1 33 33 TRP HB2 H 1 3.390 0.02 . 1 . . . . . . . . 4714 1 189 . 1 1 33 33 TRP HB3 H 1 3.390 0.02 . 1 . . . . . . . . 4714 1 190 . 1 1 33 33 TRP HD1 H 1 7.140 0.02 . 1 . . . . . . . . 4714 1 191 . 1 1 33 33 TRP HE3 H 1 7.820 0.02 . 1 . . . . . . . . 4714 1 192 . 1 1 33 33 TRP HZ3 H 1 6.660 0.02 . 1 . . . . . . . . 4714 1 193 . 1 1 33 33 TRP HZ2 H 1 7.050 0.02 . 1 . . . . . . . . 4714 1 194 . 1 1 33 33 TRP HH2 H 1 6.800 0.02 . 1 . . . . . . . . 4714 1 195 . 1 1 34 34 GLU H H 1 7.960 0.02 . 1 . . . . . . . . 4714 1 196 . 1 1 34 34 GLU HA H 1 4.140 0.02 . 1 . . . . . . . . 4714 1 197 . 1 1 34 34 GLU HB2 H 1 1.540 0.02 . 2 . . . . . . . . 4714 1 198 . 1 1 34 34 GLU HB3 H 1 1.460 0.02 . 2 . . . . . . . . 4714 1 199 . 1 1 34 34 GLU HG2 H 1 1.830 0.02 . 1 . . . . . . . . 4714 1 200 . 1 1 34 34 GLU HG3 H 1 1.830 0.02 . 1 . . . . . . . . 4714 1 201 . 1 1 35 35 LYS H H 1 8.210 0.02 . 1 . . . . . . . . 4714 1 202 . 1 1 35 35 LYS HA H 1 2.440 0.02 . 1 . . . . . . . . 4714 1 203 . 1 1 35 35 LYS HB2 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 204 . 1 1 35 35 LYS HB3 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 205 . 1 1 35 35 LYS HG2 H 1 0.790 0.02 . 1 . . . . . . . . 4714 1 206 . 1 1 35 35 LYS HG3 H 1 0.790 0.02 . 1 . . . . . . . . 4714 1 207 . 1 1 35 35 LYS HD2 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 208 . 1 1 35 35 LYS HD3 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 209 . 1 1 35 35 LYS HE2 H 1 2.400 0.02 . 1 . . . . . . . . 4714 1 210 . 1 1 35 35 LYS HE3 H 1 2.400 0.02 . 1 . . . . . . . . 4714 1 211 . 1 1 35 35 LYS HZ1 H 1 8.843 0.02 . 1 . . . . . . . . 4714 1 212 . 1 1 35 35 LYS HZ2 H 1 8.843 0.02 . 1 . . . . . . . . 4714 1 213 . 1 1 35 35 LYS HZ3 H 1 8.843 0.02 . 1 . . . . . . . . 4714 1 214 . 1 1 36 36 PRO HA H 1 3.660 0.02 . 1 . . . . . . . . 4714 1 215 . 1 1 36 36 PRO HB2 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 216 . 1 1 36 36 PRO HB3 H 1 1.130 0.02 . 1 . . . . . . . . 4714 1 217 . 1 1 36 36 PRO HD2 H 1 2.390 0.02 . 2 . . . . . . . . 4714 1 218 . 1 1 36 36 PRO HD3 H 1 1.850 0.02 . 2 . . . . . . . . 4714 1 219 . 1 1 37 37 GLN H H 1 8.350 0.02 . 1 . . . . . . . . 4714 1 220 . 1 1 37 37 GLN HA H 1 3.520 0.02 . 1 . . . . . . . . 4714 1 221 . 1 1 37 37 GLN HB2 H 1 1.700 0.02 . 2 . . . . . . . . 4714 1 222 . 1 1 37 37 GLN HB3 H 1 1.760 0.02 . 2 . . . . . . . . 4714 1 223 . 1 1 37 37 GLN HG2 H 1 2.110 0.02 . 1 . . . . . . . . 4714 1 224 . 1 1 37 37 GLN HG3 H 1 2.110 0.02 . 1 . . . . . . . . 4714 1 225 . 1 1 37 37 GLN HE21 H 1 7.390 0.02 . 2 . . . . . . . . 4714 1 226 . 1 1 37 37 GLN HE22 H 1 6.700 0.02 . 2 . . . . . . . . 4714 1 227 . 1 1 38 38 GLU H H 1 8.900 0.02 . 1 . . . . . . . . 4714 1 228 . 1 1 38 38 GLU HA H 1 3.880 0.02 . 1 . . . . . . . . 4714 1 229 . 1 1 38 38 GLU HB2 H 1 1.760 0.02 . 2 . . . . . . . . 4714 1 230 . 1 1 38 38 GLU HB3 H 1 1.730 0.02 . 2 . . . . . . . . 4714 1 231 . 1 1 38 38 GLU HG2 H 1 2.050 0.02 . 1 . . . . . . . . 4714 1 232 . 1 1 38 38 GLU HG3 H 1 2.050 0.02 . 1 . . . . . . . . 4714 1 233 . 1 1 39 39 LEU H H 1 7.330 0.02 . 1 . . . . . . . . 4714 1 234 . 1 1 39 39 LEU HA H 1 4.170 0.02 . 1 . . . . . . . . 4714 1 235 . 1 1 39 39 LEU HB2 H 1 1.100 0.02 . 2 . . . . . . . . 4714 1 236 . 1 1 39 39 LEU HB3 H 1 1.010 0.02 . 2 . . . . . . . . 4714 1 237 . 1 1 39 39 LEU HG H 1 1.340 0.02 . 1 . . . . . . . . 4714 1 238 . 1 1 39 39 LEU HD11 H 1 0.620 0.02 . 2 . . . . . . . . 4714 1 239 . 1 1 39 39 LEU HD12 H 1 0.620 0.02 . 2 . . . . . . . . 4714 1 240 . 1 1 39 39 LEU HD13 H 1 0.620 0.02 . 2 . . . . . . . . 4714 1 241 . 1 1 39 39 LEU HD21 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 242 . 1 1 39 39 LEU HD22 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 243 . 1 1 39 39 LEU HD23 H 1 0.510 0.02 . 2 . . . . . . . . 4714 1 244 . 1 1 40 40 LYS H H 1 7.410 0.02 . 1 . . . . . . . . 4714 1 245 . 1 1 40 40 LYS HA H 1 3.710 0.02 . 1 . . . . . . . . 4714 1 246 . 1 1 40 40 LYS HB2 H 1 1.580 0.02 . 2 . . . . . . . . 4714 1 247 . 1 1 40 40 LYS HB3 H 1 1.460 0.02 . 2 . . . . . . . . 4714 1 248 . 1 1 40 40 LYS HG2 H 1 1.340 0.02 . 2 . . . . . . . . 4714 1 249 . 1 1 40 40 LYS HG3 H 1 1.200 0.02 . 2 . . . . . . . . 4714 1 250 . 1 1 40 40 LYS HD2 H 1 1.130 0.02 . 2 . . . . . . . . 4714 1 251 . 1 1 40 40 LYS HD3 H 1 0.970 0.02 . 2 . . . . . . . . 4714 1 252 . 1 1 40 40 LYS HE2 H 1 2.560 0.02 . 1 . . . . . . . . 4714 1 253 . 1 1 40 40 LYS HE3 H 1 2.560 0.02 . 1 . . . . . . . . 4714 1 stop_ save_