################################### # 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_shift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift1 _Assigned_chem_shift_list.Entry_ID 5670 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 $sample_1 . 5670 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 LYS HA H 1 3.72 0.01 . 1 . . . . . . . . 5670 1 2 . 1 1 1 1 LYS HB2 H 1 1.48 0.01 . 2 . . . . . . . . 5670 1 3 . 1 1 1 1 LYS HB3 H 1 1.35 0.01 . 2 . . . . . . . . 5670 1 4 . 1 1 1 1 LYS HG2 H 1 0.83 0.01 . 1 . . . . . . . . 5670 1 5 . 1 1 1 1 LYS HG3 H 1 0.83 0.01 . 1 . . . . . . . . 5670 1 6 . 1 1 1 1 LYS HD2 H 1 1.03 0.01 . 2 . . . . . . . . 5670 1 7 . 1 1 1 1 LYS HD3 H 1 1.1 0.01 . 2 . . . . . . . . 5670 1 8 . 1 1 1 1 LYS HE2 H 1 2.64 0.01 . 1 . . . . . . . . 5670 1 9 . 1 1 1 1 LYS HE3 H 1 2.64 0.01 . 1 . . . . . . . . 5670 1 10 . 1 1 1 1 LYS HZ1 H 1 7.17 0.01 . 1 . . . . . . . . 5670 1 11 . 1 1 1 1 LYS HZ2 H 1 7.17 0.01 . 1 . . . . . . . . 5670 1 12 . 1 1 1 1 LYS HZ3 H 1 7.17 0.01 . 1 . . . . . . . . 5670 1 13 . 1 1 2 2 SER H H 1 8.52 0.01 . 1 . . . . . . . . 5670 1 14 . 1 1 2 2 SER HA H 1 4.65 0.01 . 1 . . . . . . . . 5670 1 15 . 1 1 2 2 SER HB2 H 1 3.41 0.01 . 2 . . . . . . . . 5670 1 16 . 1 1 2 2 SER HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5670 1 17 . 1 1 3 3 CYS H H 1 8.45 0.01 . 1 . . . . . . . . 5670 1 18 . 1 1 3 3 CYS HA H 1 4.60 0.01 . 1 . . . . . . . . 5670 1 19 . 1 1 3 3 CYS HB2 H 1 4.22 0.01 . 2 . . . . . . . . 5670 1 20 . 1 1 3 3 CYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5670 1 21 . 1 1 4 4 CYS H H 1 9.47 0.01 . 1 . . . . . . . . 5670 1 22 . 1 1 4 4 CYS HA H 1 4.90 0.01 . 1 . . . . . . . . 5670 1 23 . 1 1 4 4 CYS HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5670 1 24 . 1 1 4 4 CYS HB3 H 1 2.14 0.01 . 2 . . . . . . . . 5670 1 25 . 1 1 5 5 ARG H H 1 7.52 0.01 . 1 . . . . . . . . 5670 1 26 . 1 1 5 5 ARG HA H 1 3.51 0.01 . 1 . . . . . . . . 5670 1 27 . 1 1 5 5 ARG HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5670 1 28 . 1 1 5 5 ARG HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5670 1 29 . 1 1 5 5 ARG HG2 H 1 1.35 0.01 . 2 . . . . . . . . 5670 1 30 . 1 1 5 5 ARG HG3 H 1 1.30 0.01 . 2 . . . . . . . . 5670 1 31 . 1 1 5 5 ARG HD2 H 1 2.93 0.01 . 2 . . . . . . . . 5670 1 32 . 1 1 5 5 ARG HD3 H 1 2.62 0.01 . 2 . . . . . . . . 5670 1 33 . 1 1 5 5 ARG HE H 1 6.72 0.01 . 1 . . . . . . . . 5670 1 34 . 1 1 5 5 ARG HH11 H 1 6.10 0.01 . 4 . . . . . . . . 5670 1 35 . 1 1 5 5 ARG HH12 H 1 6.10 0.01 . 4 . . . . . . . . 5670 1 36 . 1 1 5 5 ARG HH21 H 1 6.10 0.01 . 4 . . . . . . . . 5670 1 37 . 1 1 5 5 ARG HH22 H 1 6.10 0.01 . 4 . . . . . . . . 5670 1 38 . 1 1 6 6 ASN H H 1 6.82 0.01 . 1 . . . . . . . . 5670 1 39 . 1 1 6 6 ASN HA H 1 4.46 0.01 . 1 . . . . . . . . 5670 1 40 . 1 1 6 6 ASN HB2 H 1 3.01 0.01 . 1 . . . . . . . . 5670 1 41 . 1 1 6 6 ASN HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5670 1 42 . 1 1 6 6 ASN HD21 H 1 7.51 0.01 . 2 . . . . . . . . 5670 1 43 . 1 1 6 6 ASN HD22 H 1 6.45 0.01 . 2 . . . . . . . . 5670 1 44 . 1 1 7 7 THR H H 1 8.30 0.01 . 1 . . . . . . . . 5670 1 45 . 1 1 7 7 THR HA H 1 3.58 0.01 . 1 . . . . . . . . 5670 1 46 . 1 1 7 7 THR HB H 1 3.79 0.01 . 1 . . . . . . . . 5670 1 47 . 1 1 7 7 THR HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5670 1 48 . 1 1 7 7 THR HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5670 1 49 . 1 1 7 7 THR HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5670 1 50 . 1 1 8 8 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 5670 1 51 . 1 1 8 8 LEU HA H 1 3.77 0.01 . 1 . . . . . . . . 5670 1 52 . 1 1 8 8 LEU HB2 H 1 1.38 0.01 . 2 . . . . . . . . 5670 1 53 . 1 1 8 8 LEU HB3 H 1 1.29 0.01 . 2 . . . . . . . . 5670 1 54 . 1 1 8 8 LEU HD11 H 1 0.57 0.01 . 2 . . . . . . . . 5670 1 55 . 1 1 8 8 LEU HD12 H 1 0.57 0.01 . 2 . . . . . . . . 5670 1 56 . 1 1 8 8 LEU HD13 H 1 0.57 0.01 . 2 . . . . . . . . 5670 1 57 . 1 1 8 8 LEU HD21 H 1 0.61 0.01 . 2 . . . . . . . . 5670 1 58 . 1 1 8 8 LEU HD22 H 1 0.61 0.01 . 2 . . . . . . . . 5670 1 59 . 1 1 8 8 LEU HD23 H 1 0.61 0.01 . 2 . . . . . . . . 5670 1 60 . 1 1 9 9 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 5670 1 61 . 1 1 9 9 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 5670 1 62 . 1 1 9 9 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5670 1 63 . 1 1 9 9 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5670 1 64 . 1 1 9 9 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5670 1 65 . 1 1 10 10 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 5670 1 66 . 1 1 10 10 ARG HA H 1 4.16 0.01 . 1 . . . . . . . . 5670 1 67 . 1 1 10 10 ARG HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5670 1 68 . 1 1 10 10 ARG HB3 H 1 1.36 0.01 . 2 . . . . . . . . 5670 1 69 . 1 1 10 10 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5670 1 70 . 1 1 10 10 ARG HG3 H 1 1.59 0.01 . 1 . . . . . . . . 5670 1 71 . 1 1 10 10 ARG HD2 H 1 3.06 0.01 . 2 . . . . . . . . 5670 1 72 . 1 1 10 10 ARG HD3 H 1 3.00 0.01 . 2 . . . . . . . . 5670 1 73 . 1 1 10 10 ARG HE H 1 8.07 0.01 . 1 . . . . . . . . 5670 1 74 . 1 1 10 10 ARG HH11 H 1 6.79 0.01 . 4 . . . . . . . . 5670 1 75 . 1 1 10 10 ARG HH12 H 1 6.79 0.01 . 4 . . . . . . . . 5670 1 76 . 1 1 10 10 ARG HH21 H 1 6.28 0.01 . 4 . . . . . . . . 5670 1 77 . 1 1 10 10 ARG HH22 H 1 6.28 0.01 . 4 . . . . . . . . 5670 1 78 . 1 1 11 11 ASN H H 1 8.16 0.01 . 1 . . . . . . . . 5670 1 79 . 1 1 11 11 ASN HA H 1 4.21 0.01 . 1 . . . . . . . . 5670 1 80 . 1 1 11 11 ASN HB2 H 1 2.64 0.01 . 2 . . . . . . . . 5670 1 81 . 1 1 11 11 ASN HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5670 1 82 . 1 1 11 11 ASN HD21 H 1 7.29 0.01 . 2 . . . . . . . . 5670 1 83 . 1 1 11 11 ASN HD22 H 1 6.70 0.01 . 2 . . . . . . . . 5670 1 84 . 1 1 12 12 CYS H H 1 8.15 0.01 . 1 . . . . . . . . 5670 1 85 . 1 1 12 12 CYS HA H 1 3.89 0.01 . 1 . . . . . . . . 5670 1 86 . 1 1 12 12 CYS HB2 H 1 3.58 0.01 . 2 . . . . . . . . 5670 1 87 . 1 1 12 12 CYS HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5670 1 88 . 1 1 13 13 TYR H H 1 8.74 0.01 . 1 . . . . . . . . 5670 1 89 . 1 1 13 13 TYR HA H 1 3.36 0.01 . 1 . . . . . . . . 5670 1 90 . 1 1 13 13 TYR HB2 H 1 3.06 0.01 . 2 . . . . . . . . 5670 1 91 . 1 1 13 13 TYR HB3 H 1 2.89 0.01 . 2 . . . . . . . . 5670 1 92 . 1 1 13 13 TYR HD1 H 1 6.4 0.01 . 4 . . . . . . . . 5670 1 93 . 1 1 13 13 TYR HD2 H 1 6.4 0.01 . 4 . . . . . . . . 5670 1 94 . 1 1 13 13 TYR HE1 H 1 6.4 0.01 . 4 . . . . . . . . 5670 1 95 . 1 1 13 13 TYR HE2 H 1 6.4 0.01 . 4 . . . . . . . . 5670 1 96 . 1 1 14 14 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 5670 1 97 . 1 1 14 14 ASN HA H 1 4.00 0.01 . 1 . . . . . . . . 5670 1 98 . 1 1 14 14 ASN HB2 H 1 2.62 0.01 . 2 . . . . . . . . 5670 1 99 . 1 1 14 14 ASN HB3 H 1 2.52 0.01 . 2 . . . . . . . . 5670 1 100 . 1 1 14 14 ASN HD21 H 1 7.6 0.01 . 1 . . . . . . . . 5670 1 101 . 1 1 14 14 ASN HD22 H 1 7.6 0.01 . 1 . . . . . . . . 5670 1 102 . 1 1 15 15 ALA H H 1 7.63 0.01 . 1 . . . . . . . . 5670 1 103 . 1 1 15 15 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 5670 1 104 . 1 1 15 15 ALA HB1 H 1 1.19 0.01 . 1 . . . . . . . . 5670 1 105 . 1 1 15 15 ALA HB2 H 1 1.19 0.01 . 1 . . . . . . . . 5670 1 106 . 1 1 15 15 ALA HB3 H 1 1.19 0.01 . 1 . . . . . . . . 5670 1 107 . 1 1 16 16 CYS H H 1 7.98 0.01 . 1 . . . . . . . . 5670 1 108 . 1 1 16 16 CYS HA H 1 3.80 0.01 . 1 . . . . . . . . 5670 1 109 . 1 1 16 16 CYS HB2 H 1 2.83 0.01 . 2 . . . . . . . . 5670 1 110 . 1 1 16 16 CYS HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5670 1 111 . 1 1 17 17 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 5670 1 112 . 1 1 17 17 ARG HA H 1 3.79 0.01 . 1 . . . . . . . . 5670 1 113 . 1 1 17 17 ARG HB2 H 1 1.48 0.01 . 2 . . . . . . . . 5670 1 114 . 1 1 17 17 ARG HB3 H 1 1.37 0.01 . 2 . . . . . . . . 5670 1 115 . 1 1 17 17 ARG HG2 H 1 0.88 0.01 . 2 . . . . . . . . 5670 1 116 . 1 1 17 17 ARG HG3 H 1 0.62 0.01 . 2 . . . . . . . . 5670 1 117 . 1 1 17 17 ARG HD2 H 1 2.72 0.01 . 2 . . . . . . . . 5670 1 118 . 1 1 17 17 ARG HD3 H 1 2.15 0.01 . 2 . . . . . . . . 5670 1 119 . 1 1 17 17 ARG HE H 1 6.72 0.01 . 1 . . . . . . . . 5670 1 120 . 1 1 17 17 ARG HH11 H 1 6.79 0.01 . 4 . . . . . . . . 5670 1 121 . 1 1 17 17 ARG HH12 H 1 6.79 0.01 . 4 . . . . . . . . 5670 1 122 . 1 1 17 17 ARG HH21 H 1 6.28 0.01 . 4 . . . . . . . . 5670 1 123 . 1 1 17 17 ARG HH22 H 1 6.28 0.01 . 4 . . . . . . . . 5670 1 124 . 1 1 18 18 PHE H H 1 8.00 0.01 . 1 . . . . . . . . 5670 1 125 . 1 1 18 18 PHE HA H 1 4.01 0.01 . 1 . . . . . . . . 5670 1 126 . 1 1 18 18 PHE HB2 H 1 3.07 0.01 . 2 . . . . . . . . 5670 1 127 . 1 1 18 18 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5670 1 128 . 1 1 18 18 PHE HD1 H 1 7.01 0.01 . 4 . . . . . . . . 5670 1 129 . 1 1 18 18 PHE HD2 H 1 7.01 0.01 . 4 . . . . . . . . 5670 1 130 . 1 1 18 18 PHE HE1 H 1 6.91 0.01 . 4 . . . . . . . . 5670 1 131 . 1 1 18 18 PHE HE2 H 1 6.91 0.01 . 4 . . . . . . . . 5670 1 132 . 1 1 18 18 PHE HZ H 1 6.91 0.01 . 4 . . . . . . . . 5670 1 133 . 1 1 19 19 THR H H 1 7.24 0.01 . 1 . . . . . . . . 5670 1 134 . 1 1 19 19 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 5670 1 135 . 1 1 19 19 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5670 1 136 . 1 1 19 19 THR HG21 H 1 1.06 0.01 . 1 . . . . . . . . 5670 1 137 . 1 1 19 19 THR HG22 H 1 1.06 0.01 . 1 . . . . . . . . 5670 1 138 . 1 1 19 19 THR HG23 H 1 1.06 0.01 . 1 . . . . . . . . 5670 1 139 . 1 1 20 20 GLY H H 1 7.24 0.01 . 1 . . . . . . . . 5670 1 140 . 1 1 20 20 GLY HA2 H 1 4.04 0.01 . 2 . . . . . . . . 5670 1 141 . 1 1 20 20 GLY HA3 H 1 3.30 0.01 . 2 . . . . . . . . 5670 1 142 . 1 1 21 21 GLY H H 1 7.88 0.01 . 1 . . . . . . . . 5670 1 143 . 1 1 21 21 GLY HA2 H 1 3.73 0.01 . 2 . . . . . . . . 5670 1 144 . 1 1 21 21 GLY HA3 H 1 3.12 0.01 . 2 . . . . . . . . 5670 1 145 . 1 1 22 22 SER H H 1 8.45 0.01 . 1 . . . . . . . . 5670 1 146 . 1 1 22 22 SER HA H 1 4.03 0.01 . 1 . . . . . . . . 5670 1 147 . 1 1 22 22 SER HB2 H 1 3.90 0.01 . 2 . . . . . . . . 5670 1 148 . 1 1 22 22 SER HB3 H 1 3.74 0.01 . 2 . . . . . . . . 5670 1 149 . 1 1 23 23 GLN H H 1 9.01 0.01 . 1 . . . . . . . . 5670 1 150 . 1 1 23 23 GLN HA H 1 3.76 0.01 . 1 . . . . . . . . 5670 1 151 . 1 1 23 23 GLN HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5670 1 152 . 1 1 23 23 GLN HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5670 1 153 . 1 1 23 23 GLN HG2 H 1 2.20 0.01 . 2 . . . . . . . . 5670 1 154 . 1 1 23 23 GLN HG3 H 1 1.95 0.01 . 2 . . . . . . . . 5670 1 155 . 1 1 23 23 GLN HE21 H 1 7.13 0.01 . 2 . . . . . . . . 5670 1 156 . 1 1 23 23 GLN HE22 H 1 6.56 0.01 . 2 . . . . . . . . 5670 1 157 . 1 1 24 24 PRO HA H 1 4.05 0.01 . 1 . . . . . . . . 5670 1 158 . 1 1 24 24 PRO HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5670 1 159 . 1 1 24 24 PRO HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5670 1 160 . 1 1 24 24 PRO HG2 H 1 1.78 0.01 . 2 . . . . . . . . 5670 1 161 . 1 1 24 24 PRO HG3 H 1 1.65 0.01 . 2 . . . . . . . . 5670 1 162 . 1 1 24 24 PRO HD2 H 1 3.54 0.01 . 2 . . . . . . . . 5670 1 163 . 1 1 24 24 PRO HD3 H 1 3.39 0.01 . 2 . . . . . . . . 5670 1 164 . 1 1 25 25 THR H H 1 7.10 0.01 . 1 . . . . . . . . 5670 1 165 . 1 1 25 25 THR HA H 1 3.55 0.01 . 1 . . . . . . . . 5670 1 166 . 1 1 25 25 THR HB H 1 3.80 0.01 . 1 . . . . . . . . 5670 1 167 . 1 1 25 25 THR HG21 H 1 0.84 0.01 . 1 . . . . . . . . 5670 1 168 . 1 1 25 25 THR HG22 H 1 0.84 0.01 . 1 . . . . . . . . 5670 1 169 . 1 1 25 25 THR HG23 H 1 0.84 0.01 . 1 . . . . . . . . 5670 1 170 . 1 1 26 26 CYS H H 1 8.40 0.01 . 1 . . . . . . . . 5670 1 171 . 1 1 26 26 CYS HA H 1 4.28 0.01 . 1 . . . . . . . . 5670 1 172 . 1 1 26 26 CYS HB2 H 1 2.29 0.01 . 2 . . . . . . . . 5670 1 173 . 1 1 26 26 CYS HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5670 1 174 . 1 1 27 27 GLY H H 1 8.42 0.01 . 1 . . . . . . . . 5670 1 175 . 1 1 27 27 GLY HA2 H 1 3.83 0.01 . 2 . . . . . . . . 5670 1 176 . 1 1 27 27 GLY HA3 H 1 3.45 0.01 . 2 . . . . . . . . 5670 1 177 . 1 1 28 28 ILE H H 1 7.44 0.01 . 1 . . . . . . . . 5670 1 178 . 1 1 28 28 ILE HA H 1 3.66 0.01 . 1 . . . . . . . . 5670 1 179 . 1 1 28 28 ILE HB H 1 1.67 0.01 . 1 . . . . . . . . 5670 1 180 . 1 1 28 28 ILE HG12 H 1 1.41 0.01 . 2 . . . . . . . . 5670 1 181 . 1 1 28 28 ILE HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5670 1 182 . 1 1 28 28 ILE HG21 H 1 0.66 0.01 . 1 . . . . . . . . 5670 1 183 . 1 1 28 28 ILE HG22 H 1 0.66 0.01 . 1 . . . . . . . . 5670 1 184 . 1 1 28 28 ILE HG23 H 1 0.66 0.01 . 1 . . . . . . . . 5670 1 185 . 1 1 28 28 ILE HD11 H 1 0.56 0.01 . 1 . . . . . . . . 5670 1 186 . 1 1 28 28 ILE HD12 H 1 0.56 0.01 . 1 . . . . . . . . 5670 1 187 . 1 1 28 28 ILE HD13 H 1 0.56 0.01 . 1 . . . . . . . . 5670 1 188 . 1 1 29 29 LEU H H 1 7.81 0.01 . 1 . . . . . . . . 5670 1 189 . 1 1 29 29 LEU HA H 1 3.81 0.01 . 1 . . . . . . . . 5670 1 190 . 1 1 29 29 LEU HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5670 1 191 . 1 1 29 29 LEU HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5670 1 192 . 1 1 29 29 LEU HG H 1 1.28 0.01 . 1 . . . . . . . . 5670 1 193 . 1 1 29 29 LEU HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 194 . 1 1 29 29 LEU HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 195 . 1 1 29 29 LEU HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 196 . 1 1 29 29 LEU HD21 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 197 . 1 1 29 29 LEU HD22 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 198 . 1 1 29 29 LEU HD23 H 1 0.57 0.01 . 1 . . . . . . . . 5670 1 199 . 1 1 30 30 CYS H H 1 7.40 0.01 . 1 . . . . . . . . 5670 1 200 . 1 1 30 30 CYS HA H 1 4.51 0.01 . 1 . . . . . . . . 5670 1 201 . 1 1 30 30 CYS HB2 H 1 3.54 0.01 . 2 . . . . . . . . 5670 1 202 . 1 1 30 30 CYS HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5670 1 203 . 1 1 31 31 ASP H H 1 7.70 0.01 . 1 . . . . . . . . 5670 1 204 . 1 1 31 31 ASP HA H 1 4.27 0.01 . 1 . . . . . . . . 5670 1 205 . 1 1 31 31 ASP HB2 H 1 3.36 0.01 . 2 . . . . . . . . 5670 1 206 . 1 1 31 31 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 5670 1 207 . 1 1 32 32 CYS H H 1 8.84 0.01 . 1 . . . . . . . . 5670 1 208 . 1 1 32 32 CYS HA H 1 5.24 0.01 . 1 . . . . . . . . 5670 1 209 . 1 1 32 32 CYS HB2 H 1 2.64 0.01 . 2 . . . . . . . . 5670 1 210 . 1 1 32 32 CYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 5670 1 211 . 1 1 33 33 ILE H H 1 8.64 0.01 . 1 . . . . . . . . 5670 1 212 . 1 1 33 33 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 5670 1 213 . 1 1 33 33 ILE HB H 1 1.40 0.01 . 1 . . . . . . . . 5670 1 214 . 1 1 33 33 ILE HG12 H 1 0.573 0.01 . 2 . . . . . . . . 5670 1 215 . 1 1 33 33 ILE HG13 H 1 -0.07 0.01 . 2 . . . . . . . . 5670 1 216 . 1 1 33 33 ILE HG21 H 1 0.03 0.01 . 1 . . . . . . . . 5670 1 217 . 1 1 33 33 ILE HG22 H 1 0.03 0.01 . 1 . . . . . . . . 5670 1 218 . 1 1 33 33 ILE HG23 H 1 0.03 0.01 . 1 . . . . . . . . 5670 1 219 . 1 1 33 33 ILE HD11 H 1 -0.01 0.01 . 1 . . . . . . . . 5670 1 220 . 1 1 33 33 ILE HD12 H 1 -0.01 0.01 . 1 . . . . . . . . 5670 1 221 . 1 1 33 33 ILE HD13 H 1 -0.01 0.01 . 1 . . . . . . . . 5670 1 222 . 1 1 34 34 HIS H H 1 8.52 0.01 . 1 . . . . . . . . 5670 1 223 . 1 1 34 34 HIS HA H 1 4.82 0.01 . 1 . . . . . . . . 5670 1 224 . 1 1 34 34 HIS HB2 H 1 2.73 0.01 . 2 . . . . . . . . 5670 1 225 . 1 1 34 34 HIS HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5670 1 226 . 1 1 34 34 HIS HD1 H 1 8.52 0.01 . 4 . . . . . . . . 5670 1 227 . 1 1 35 35 VAL H H 1 7.96 0.01 . 1 . . . . . . . . 5670 1 228 . 1 1 35 35 VAL HA H 1 4.44 0.01 . 1 . . . . . . . . 5670 1 229 . 1 1 35 35 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 5670 1 230 . 1 1 35 35 VAL HG11 H 1 0.44 0.01 . 2 . . . . . . . . 5670 1 231 . 1 1 35 35 VAL HG12 H 1 0.44 0.01 . 2 . . . . . . . . 5670 1 232 . 1 1 35 35 VAL HG13 H 1 0.44 0.01 . 2 . . . . . . . . 5670 1 233 . 1 1 35 35 VAL HG21 H 1 0.39 0.01 . 2 . . . . . . . . 5670 1 234 . 1 1 35 35 VAL HG22 H 1 0.39 0.01 . 2 . . . . . . . . 5670 1 235 . 1 1 35 35 VAL HG23 H 1 0.39 0.01 . 2 . . . . . . . . 5670 1 236 . 1 1 36 36 THR H H 1 8.54 0.01 . 1 . . . . . . . . 5670 1 237 . 1 1 36 36 THR HA H 1 4.15 0.01 . 5 . . . . . . . . 5670 1 238 . 1 1 37 37 THR H H 1 6.65 0.01 . 1 . . . . . . . . 5670 1 239 . 1 1 37 37 THR HA H 1 4.17 0.01 . 1 . . . . . . . . 5670 1 240 . 1 1 37 37 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 5670 1 241 . 1 1 37 37 THR HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5670 1 242 . 1 1 37 37 THR HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5670 1 243 . 1 1 37 37 THR HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5670 1 244 . 1 1 38 38 THR H H 1 8.22 0.01 . 1 . . . . . . . . 5670 1 245 . 1 1 38 38 THR HA H 1 3.79 0.01 . 1 . . . . . . . . 5670 1 246 . 1 1 38 38 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 5670 1 247 . 1 1 38 38 THR HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5670 1 248 . 1 1 38 38 THR HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5670 1 249 . 1 1 38 38 THR HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5670 1 250 . 1 1 39 39 THR H H 1 6.78 0.01 . 1 . . . . . . . . 5670 1 251 . 1 1 39 39 THR HA H 1 4.16 0.01 . 1 . . . . . . . . 5670 1 252 . 1 1 39 39 THR HB H 1 3.79 0.01 . 1 . . . . . . . . 5670 1 253 . 1 1 39 39 THR HG21 H 1 0.82 0.01 . 1 . . . . . . . . 5670 1 254 . 1 1 39 39 THR HG22 H 1 0.82 0.01 . 1 . . . . . . . . 5670 1 255 . 1 1 39 39 THR HG23 H 1 0.82 0.01 . 1 . . . . . . . . 5670 1 256 . 1 1 40 40 CYS H H 1 8.57 0.01 . 1 . . . . . . . . 5670 1 257 . 1 1 40 40 CYS HA H 1 4.59 0.01 . 1 . . . . . . . . 5670 1 258 . 1 1 40 40 CYS HB2 H 1 3.55 0.01 . 2 . . . . . . . . 5670 1 259 . 1 1 40 40 CYS HB3 H 1 2.14 0.01 . 2 . . . . . . . . 5670 1 260 . 1 1 41 41 PRO HA H 1 4.29 0.01 . 1 . . . . . . . . 5670 1 261 . 1 1 41 41 PRO HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5670 1 262 . 1 1 41 41 PRO HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5670 1 263 . 1 1 41 41 PRO HG2 H 1 1.50 0.01 . 1 . . . . . . . . 5670 1 264 . 1 1 41 41 PRO HG3 H 1 1.50 0.01 . 1 . . . . . . . . 5670 1 265 . 1 1 41 41 PRO HD2 H 1 3.51 0.01 . 2 . . . . . . . . 5670 1 266 . 1 1 41 41 PRO HD3 H 1 3.30 0.01 . 2 . . . . . . . . 5670 1 267 . 1 1 42 42 SER H H 1 8.55 0.01 . 1 . . . . . . . . 5670 1 268 . 1 1 42 42 SER HA H 1 3.71 0.01 . 4 . . . . . . . . 5670 1 269 . 1 1 42 42 SER HB2 H 1 3.59 0.01 . 4 . . . . . . . . 5670 1 270 . 1 1 42 42 SER HB3 H 1 3.59 0.01 . 4 . . . . . . . . 5670 1 271 . 1 1 43 43 SER H H 1 7.62 0.01 . 1 . . . . . . . . 5670 1 272 . 1 1 43 43 SER HA H 1 3.87 0.01 . 1 . . . . . . . . 5670 1 273 . 1 1 43 43 SER HB2 H 1 3.76 0.01 . 2 . . . . . . . . 5670 1 274 . 1 1 43 43 SER HB3 H 1 3.65 0.01 . 2 . . . . . . . . 5670 1 275 . 1 1 44 44 HIS H H 1 7.41 0.01 . 1 . . . . . . . . 5670 1 276 . 1 1 44 44 HIS HA H 1 4.37 0.01 . 1 . . . . . . . . 5670 1 277 . 1 1 44 44 HIS HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5670 1 278 . 1 1 44 44 HIS HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5670 1 279 . 1 1 44 44 HIS HD2 H 1 6.72 0.01 . 1 . . . . . . . . 5670 1 280 . 1 1 44 44 HIS HE1 H 1 8.44 0.01 . 1 . . . . . . . . 5670 1 281 . 1 1 45 45 PRO HA H 1 4.00 0.01 . 1 . . . . . . . . 5670 1 282 . 1 1 45 45 PRO HB2 H 1 1.66 0.01 . 4 . . . . . . . . 5670 1 283 . 1 1 45 45 PRO HB3 H 1 1.66 0.01 . 4 . . . . . . . . 5670 1 284 . 1 1 45 45 PRO HG2 H 1 1.66 0.01 . 4 . . . . . . . . 5670 1 285 . 1 1 45 45 PRO HG3 H 1 1.66 0.01 . 4 . . . . . . . . 5670 1 286 . 1 1 45 45 PRO HD2 H 1 3.42 0.01 . 2 . . . . . . . . 5670 1 287 . 1 1 45 45 PRO HD3 H 1 3.07 0.01 . 2 . . . . . . . . 5670 1 288 . 1 1 46 46 SER H H 1 7.78 0.01 . 1 . . . . . . . . 5670 1 289 . 1 1 46 46 SER HA H 1 4.04 0.01 . 1 . . . . . . . . 5670 1 290 . 1 1 46 46 SER HB2 H 1 3.42 0.01 . 2 . . . . . . . . 5670 1 291 . 1 1 46 46 SER HB3 H 1 2.56 0.01 . 2 . . . . . . . . 5670 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 37 5670 1 1 36 5670 1 1 35 5670 1 1 34 5670 1 2 77 5670 1 2 76 5670 1 2 75 5670 1 2 74 5670 1 3 95 5670 1 3 94 5670 1 3 93 5670 1 3 92 5670 1 4 123 5670 1 4 122 5670 1 4 121 5670 1 4 120 5670 1 5 132 5670 1 5 131 5670 1 5 130 5670 1 5 129 5670 1 5 128 5670 1 6 270 5670 1 6 269 5670 1 6 268 5670 1 7 285 5670 1 7 284 5670 1 7 283 5670 1 7 282 5670 1 stop_ save_