################################### # 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6156 _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 . 6156 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 4.35 0.02 . 1 . . . . 1 . . . 6156 1 2 . 1 1 1 1 GLU HB2 H 1 2.20 0.02 . 1 . . . . 1 . . . 6156 1 3 . 1 1 1 1 GLU HB3 H 1 2.20 0.02 . 1 . . . . 1 . . . 6156 1 4 . 1 1 2 2 THR H H 1 8.92 0.02 . 1 . . . . 2 . . . 6156 1 5 . 1 1 2 2 THR HA H 1 4.68 0.02 . 1 . . . . 2 . . . 6156 1 6 . 1 1 2 2 THR HB H 1 4.83 0.02 . 1 . . . . 2 . . . 6156 1 7 . 1 1 2 2 THR HG21 H 1 1.39 0.02 . 1 . . . . 2 . . . 6156 1 8 . 1 1 2 2 THR HG22 H 1 1.39 0.02 . 1 . . . . 2 . . . 6156 1 9 . 1 1 2 2 THR HG23 H 1 1.39 0.02 . 1 . . . . 2 . . . 6156 1 10 . 1 1 3 3 SER H H 1 9.15 0.02 . 1 . . . . 3 . . . 6156 1 11 . 1 1 3 3 SER HA H 1 4.20 0.02 . 1 . . . . 3 . . . 6156 1 12 . 1 1 3 3 SER HB2 H 1 3.99 0.02 . 1 . . . . 3 . . . 6156 1 13 . 1 1 3 3 SER HB3 H 1 3.99 0.02 . 1 . . . . 3 . . . 6156 1 14 . 1 1 4 4 GLU H H 1 8.65 0.02 . 1 . . . . 4 . . . 6156 1 15 . 1 1 4 4 GLU HA H 1 4.13 0.02 . 1 . . . . 4 . . . 6156 1 16 . 1 1 4 4 GLU HB2 H 1 2.05 0.02 . 2 . . . . 4 . . . 6156 1 17 . 1 1 4 4 GLU HB3 H 1 2.14 0.02 . 2 . . . . 4 . . . 6156 1 18 . 1 1 4 4 GLU HG2 H 1 2.44 0.02 . 2 . . . . 4 . . . 6156 1 19 . 1 1 4 4 GLU HG3 H 1 2.56 0.02 . 2 . . . . 4 . . . 6156 1 20 . 1 1 5 5 GLU H H 1 7.79 0.02 . 1 . . . . 5 . . . 6156 1 21 . 1 1 5 5 GLU HA H 1 4.02 0.02 . 1 . . . . 5 . . . 6156 1 22 . 1 1 5 5 GLU HB2 H 1 2.34 0.02 . 1 . . . . 5 . . . 6156 1 23 . 1 1 5 5 GLU HB3 H 1 2.34 0.02 . 1 . . . . 5 . . . 6156 1 24 . 1 1 5 5 GLU HG2 H 1 2.11 0.02 . 2 . . . . 5 . . . 6156 1 25 . 1 1 5 5 GLU HG3 H 1 2.51 0.02 . 2 . . . . 5 . . . 6156 1 26 . 1 1 6 6 ARG H H 1 8.37 0.02 . 1 . . . . 6 . . . 6156 1 27 . 1 1 6 6 ARG HA H 1 4.02 0.02 . 1 . . . . 6 . . . 6156 1 28 . 1 1 6 6 ARG HB2 H 1 1.91 0.02 . 2 . . . . 6 . . . 6156 1 29 . 1 1 6 6 ARG HB3 H 1 1.95 0.02 . 2 . . . . 6 . . . 6156 1 30 . 1 1 6 6 ARG HG2 H 1 1.60 0.02 . 2 . . . . 6 . . . 6156 1 31 . 1 1 6 6 ARG HG3 H 1 1.72 0.02 . 2 . . . . 6 . . . 6156 1 32 . 1 1 6 6 ARG HD2 H 1 3.24 0.02 . 1 . . . . 6 . . . 6156 1 33 . 1 1 6 6 ARG HD3 H 1 3.24 0.02 . 1 . . . . 6 . . . 6156 1 34 . 1 1 6 6 ARG HE H 1 7.34 0.02 . 1 . . . . 6 . . . 6156 1 35 . 1 1 7 7 ALA H H 1 8.18 0.02 . 1 . . . . 7 . . . 6156 1 36 . 1 1 7 7 ALA HA H 1 4.07 0.02 . 1 . . . . 7 . . . 6156 1 37 . 1 1 7 7 ALA HB1 H 1 1.55 0.02 . 1 . . . . 7 . . . 6156 1 38 . 1 1 7 7 ALA HB2 H 1 1.55 0.02 . 1 . . . . 7 . . . 6156 1 39 . 1 1 7 7 ALA HB3 H 1 1.55 0.02 . 1 . . . . 7 . . . 6156 1 40 . 1 1 8 8 ALA H H 1 7.99 0.02 . 1 . . . . 8 . . . 6156 1 41 . 1 1 8 8 ALA HA H 1 4.17 0.02 . 1 . . . . 8 . . . 6156 1 42 . 1 1 8 8 ALA HB1 H 1 1.55 0.02 . 1 . . . . 8 . . . 6156 1 43 . 1 1 8 8 ALA HB2 H 1 1.55 0.02 . 1 . . . . 8 . . . 6156 1 44 . 1 1 8 8 ALA HB3 H 1 1.55 0.02 . 1 . . . . 8 . . . 6156 1 45 . 1 1 9 9 ARG H H 1 8.12 0.02 . 1 . . . . 9 . . . 6156 1 46 . 1 1 9 9 ARG HA H 1 4.06 0.02 . 1 . . . . 9 . . . 6156 1 47 . 1 1 9 9 ARG HB2 H 1 1.99 0.02 . 2 . . . . 9 . . . 6156 1 48 . 1 1 9 9 ARG HB3 H 1 2.10 0.02 . 2 . . . . 9 . . . 6156 1 49 . 1 1 9 9 ARG HG2 H 1 1.65 0.02 . 2 . . . . 9 . . . 6156 1 50 . 1 1 9 9 ARG HG3 H 1 1.78 0.02 . 2 . . . . 9 . . . 6156 1 51 . 1 1 9 9 ARG HD2 H 1 3.22 0.02 . 2 . . . . 9 . . . 6156 1 52 . 1 1 9 9 ARG HD3 H 1 3.31 0.02 . 2 . . . . 9 . . . 6156 1 53 . 1 1 9 9 ARG HE H 1 8.33 0.02 . 1 . . . . 9 . . . 6156 1 54 . 1 1 10 10 LEU H H 1 8.46 0.02 . 1 . . . . 10 . . . 6156 1 55 . 1 1 10 10 LEU HA H 1 4.18 0.02 . 1 . . . . 10 . . . 6156 1 56 . 1 1 10 10 LEU HB2 H 1 1.88 0.02 . 1 . . . . 10 . . . 6156 1 57 . 1 1 10 10 LEU HB3 H 1 1.88 0.02 . 1 . . . . 10 . . . 6156 1 58 . 1 1 10 10 LEU HG H 1 1.63 0.02 . 1 . . . . 10 . . . 6156 1 59 . 1 1 10 10 LEU HD11 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 60 . 1 1 10 10 LEU HD12 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 61 . 1 1 10 10 LEU HD13 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 62 . 1 1 10 10 LEU HD21 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 63 . 1 1 10 10 LEU HD22 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 64 . 1 1 10 10 LEU HD23 H 1 0.92 0.02 . 1 . . . . 10 . . . 6156 1 65 . 1 1 11 11 ALA H H 1 8.36 0.02 . 1 . . . . 11 . . . 6156 1 66 . 1 1 11 11 ALA HA H 1 4.15 0.02 . 1 . . . . 11 . . . 6156 1 67 . 1 1 11 11 ALA HB1 H 1 1.57 0.02 . 1 . . . . 11 . . . 6156 1 68 . 1 1 11 11 ALA HB2 H 1 1.57 0.02 . 1 . . . . 11 . . . 6156 1 69 . 1 1 11 11 ALA HB3 H 1 1.57 0.02 . 1 . . . . 11 . . . 6156 1 70 . 1 1 12 12 LYS H H 1 8.00 0.02 . 1 . . . . 12 . . . 6156 1 71 . 1 1 12 12 LYS HA H 1 4.11 0.02 . 1 . . . . 12 . . . 6156 1 72 . 1 1 12 12 LYS HB2 H 1 1.99 0.02 . 2 . . . . 12 . . . 6156 1 73 . 1 1 12 12 LYS HB3 H 1 2.03 0.02 . 2 . . . . 12 . . . 6156 1 74 . 1 1 12 12 LYS HD2 H 1 1.73 0.02 . 1 . . . . 12 . . . 6156 1 75 . 1 1 12 12 LYS HD3 H 1 1.73 0.02 . 1 . . . . 12 . . . 6156 1 76 . 1 1 12 12 LYS HE2 H 1 2.99 0.02 . 1 . . . . 12 . . . 6156 1 77 . 1 1 12 12 LYS HE3 H 1 2.99 0.02 . 1 . . . . 12 . . . 6156 1 78 . 1 1 12 12 LYS HZ1 H 1 7.65 0.02 . 1 . . . . 12 . . . 6156 1 79 . 1 1 12 12 LYS HZ2 H 1 7.65 0.02 . 1 . . . . 12 . . . 6156 1 80 . 1 1 12 12 LYS HZ3 H 1 7.65 0.02 . 1 . . . . 12 . . . 6156 1 81 . 1 1 13 13 MET H H 1 8.52 0.02 . 1 . . . . 13 . . . 6156 1 82 . 1 1 13 13 MET HA H 1 4.26 0.02 . 1 . . . . 13 . . . 6156 1 83 . 1 1 13 13 MET HB2 H 1 2.26 0.02 . 1 . . . . 13 . . . 6156 1 84 . 1 1 13 13 MET HB3 H 1 2.26 0.02 . 1 . . . . 13 . . . 6156 1 85 . 1 1 13 13 MET HG2 H 1 2.60 0.02 . 2 . . . . 13 . . . 6156 1 86 . 1 1 13 13 MET HG3 H 1 2.83 0.02 . 2 . . . . 13 . . . 6156 1 87 . 1 1 14 14 SER H H 1 8.40 0.02 . 1 . . . . 14 . . . 6156 1 88 . 1 1 14 14 SER HA H 1 4.28 0.02 . 1 . . . . 14 . . . 6156 1 89 . 1 1 14 14 SER HB2 H 1 4.00 0.02 . 2 . . . . 14 . . . 6156 1 90 . 1 1 14 14 SER HB3 H 1 4.10 0.02 . 2 . . . . 14 . . . 6156 1 91 . 1 1 15 15 ALA H H 1 7.94 0.02 . 1 . . . . 15 . . . 6156 1 92 . 1 1 15 15 ALA HA H 1 4.23 0.02 . 1 . . . . 15 . . . 6156 1 93 . 1 1 15 15 ALA HB1 H 1 1.53 0.02 . 1 . . . . 15 . . . 6156 1 94 . 1 1 15 15 ALA HB2 H 1 1.53 0.02 . 1 . . . . 15 . . . 6156 1 95 . 1 1 15 15 ALA HB3 H 1 1.53 0.02 . 1 . . . . 15 . . . 6156 1 96 . 1 1 16 16 TYR H H 1 8.17 0.02 . 1 . . . . 16 . . . 6156 1 97 . 1 1 16 16 TYR HA H 1 4.30 0.02 . 1 . . . . 16 . . . 6156 1 98 . 1 1 16 16 TYR HB2 H 1 3.20 0.02 . 1 . . . . 16 . . . 6156 1 99 . 1 1 16 16 TYR HB3 H 1 3.20 0.02 . 1 . . . . 16 . . . 6156 1 100 . 1 1 16 16 TYR HD1 H 1 7.17 0.02 . 1 . . . . 16 . . . 6156 1 101 . 1 1 16 16 TYR HD2 H 1 7.17 0.02 . 1 . . . . 16 . . . 6156 1 102 . 1 1 16 16 TYR HE1 H 1 6.84 0.02 . 1 . . . . 16 . . . 6156 1 103 . 1 1 16 16 TYR HE2 H 1 6.84 0.02 . 1 . . . . 16 . . . 6156 1 104 . 1 1 17 17 ALA H H 1 8.36 0.02 . 1 . . . . 17 . . . 6156 1 105 . 1 1 17 17 ALA HA H 1 4.03 0.02 . 1 . . . . 17 . . . 6156 1 106 . 1 1 17 17 ALA HB1 H 1 1.55 0.02 . 1 . . . . 17 . . . 6156 1 107 . 1 1 17 17 ALA HB2 H 1 1.55 0.02 . 1 . . . . 17 . . . 6156 1 108 . 1 1 17 17 ALA HB3 H 1 1.55 0.02 . 1 . . . . 17 . . . 6156 1 109 . 1 1 18 18 ALA H H 1 8.03 0.02 . 1 . . . . 18 . . . 6156 1 110 . 1 1 18 18 ALA HA H 1 4.14 0.02 . 1 . . . . 18 . . . 6156 1 111 . 1 1 18 18 ALA HB1 H 1 1.54 0.02 . 1 . . . . 18 . . . 6156 1 112 . 1 1 18 18 ALA HB2 H 1 1.54 0.02 . 1 . . . . 18 . . . 6156 1 113 . 1 1 18 18 ALA HB3 H 1 1.54 0.02 . 1 . . . . 18 . . . 6156 1 114 . 1 1 19 19 GLN H H 1 7.79 0.02 . 1 . . . . 19 . . . 6156 1 115 . 1 1 19 19 GLN HA H 1 4.15 0.02 . 1 . . . . 19 . . . 6156 1 116 . 1 1 19 19 GLN HB2 H 1 2.16 0.02 . 1 . . . . 19 . . . 6156 1 117 . 1 1 19 19 GLN HB3 H 1 2.16 0.02 . 1 . . . . 19 . . . 6156 1 118 . 1 1 19 19 GLN HG2 H 1 2.42 0.02 . 2 . . . . 19 . . . 6156 1 119 . 1 1 19 19 GLN HG3 H 1 2.54 0.02 . 2 . . . . 19 . . . 6156 1 120 . 1 1 20 20 ARG H H 1 7.91 0.02 . 1 . . . . 20 . . . 6156 1 121 . 1 1 20 20 ARG HA H 1 4.22 0.02 . 1 . . . . 20 . . . 6156 1 122 . 1 1 20 20 ARG HB2 H 1 1.79 0.02 . 2 . . . . 20 . . . 6156 1 123 . 1 1 20 20 ARG HB3 H 1 1.88 0.02 . 2 . . . . 20 . . . 6156 1 124 . 1 1 20 20 ARG HG2 H 1 1.58 0.02 . 1 . . . . 20 . . . 6156 1 125 . 1 1 20 20 ARG HG3 H 1 1.58 0.02 . 1 . . . . 20 . . . 6156 1 126 . 1 1 20 20 ARG HD2 H 1 3.13 0.02 . 1 . . . . 20 . . . 6156 1 127 . 1 1 20 20 ARG HD3 H 1 3.13 0.02 . 1 . . . . 20 . . . 6156 1 128 . 1 1 20 20 ARG HE H 1 7.21 0.02 . 1 . . . . 20 . . . 6156 1 129 . 1 1 21 21 LEU H H 1 7.94 0.02 . 1 . . . . 21 . . . 6156 1 130 . 1 1 21 21 LEU HA H 1 4.33 0.02 . 1 . . . . 21 . . . 6156 1 131 . 1 1 21 21 LEU HB2 H 1 1.76 0.02 . 1 . . . . 21 . . . 6156 1 132 . 1 1 21 21 LEU HB3 H 1 1.76 0.02 . 1 . . . . 21 . . . 6156 1 133 . 1 1 21 21 LEU HG H 1 1.62 0.02 . 1 . . . . 21 . . . 6156 1 134 . 1 1 21 21 LEU HD11 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 135 . 1 1 21 21 LEU HD12 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 136 . 1 1 21 21 LEU HD13 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 137 . 1 1 21 21 LEU HD21 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 138 . 1 1 21 21 LEU HD22 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 139 . 1 1 21 21 LEU HD23 H 1 0.92 0.02 . 1 . . . . 21 . . . 6156 1 140 . 1 1 22 22 ALA H H 1 7.75 0.02 . 1 . . . . 22 . . . 6156 1 141 . 1 1 22 22 ALA HA H 1 4.36 0.02 . 1 . . . . 22 . . . 6156 1 142 . 1 1 22 22 ALA HB1 H 1 1.46 0.02 . 1 . . . . 22 . . . 6156 1 143 . 1 1 22 22 ALA HB2 H 1 1.46 0.02 . 1 . . . . 22 . . . 6156 1 144 . 1 1 22 22 ALA HB3 H 1 1.46 0.02 . 1 . . . . 22 . . . 6156 1 145 . 1 1 23 23 ASN H H 1 7.83 0.02 . 1 . . . . 23 . . . 6156 1 146 . 1 1 23 23 ASN HA H 1 4.59 0.02 . 1 . . . . 23 . . . 6156 1 147 . 1 1 23 23 ASN HB2 H 1 2.74 0.02 . 2 . . . . 23 . . . 6156 1 148 . 1 1 23 23 ASN HB3 H 1 2.83 0.02 . 2 . . . . 23 . . . 6156 1 stop_ save_ ################################### # 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_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 6156 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $cond_2 _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 . . 2 $sample_2 . 6156 2 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 4.23 0.02 . 1 . . . . 1 . . . 6156 2 2 . 1 1 1 1 GLU HB2 H 1 2.10 0.02 . 1 . . . . 1 . . . 6156 2 3 . 1 1 1 1 GLU HB3 H 1 2.10 0.02 . 1 . . . . 1 . . . 6156 2 4 . 1 1 2 2 THR H H 1 8.76 0.02 . 1 . . . . 2 . . . 6156 2 5 . 1 1 2 2 THR HA H 1 4.55 0.02 . 1 . . . . 2 . . . 6156 2 6 . 1 1 2 2 THR HB H 1 4.72 0.02 . 1 . . . . 2 . . . 6156 2 7 . 1 1 2 2 THR HG21 H 1 1.27 0.02 . 1 . . . . 2 . . . 6156 2 8 . 1 1 2 2 THR HG22 H 1 1.27 0.02 . 1 . . . . 2 . . . 6156 2 9 . 1 1 2 2 THR HG23 H 1 1.27 0.02 . 1 . . . . 2 . . . 6156 2 10 . 1 1 3 3 SER H H 1 9.13 0.02 . 1 . . . . 3 . . . 6156 2 11 . 1 1 3 3 SER HA H 1 4.14 0.02 . 1 . . . . 3 . . . 6156 2 12 . 1 1 3 3 SER HB2 H 1 3.91 0.02 . 1 . . . . 3 . . . 6156 2 13 . 1 1 3 3 SER HB3 H 1 3.91 0.02 . 1 . . . . 3 . . . 6156 2 14 . 1 1 4 4 GLU H H 1 8.59 0.02 . 1 . . . . 4 . . . 6156 2 15 . 1 1 4 4 GLU HA H 1 4.12 0.02 . 1 . . . . 4 . . . 6156 2 16 . 1 1 4 4 GLU HB2 H 1 1.98 0.02 . 2 . . . . 4 . . . 6156 2 17 . 1 1 4 4 GLU HB3 H 1 2.06 0.02 . 2 . . . . 4 . . . 6156 2 18 . 1 1 4 4 GLU HG2 H 1 2.44 0.02 . 2 . . . . 4 . . . 6156 2 19 . 1 1 4 4 GLU HG3 H 1 2.49 0.02 . 2 . . . . 4 . . . 6156 2 20 . 1 1 5 5 GLU H H 1 7.84 0.02 . 1 . . . . 5 . . . 6156 2 21 . 1 1 5 5 GLU HA H 1 4.00 0.02 . 1 . . . . 5 . . . 6156 2 22 . 1 1 5 5 GLU HB2 H 1 2.22 0.02 . 1 . . . . 5 . . . 6156 2 23 . 1 1 5 5 GLU HB3 H 1 2.22 0.02 . 1 . . . . 5 . . . 6156 2 24 . 1 1 5 5 GLU HG2 H 1 2.02 0.02 . 2 . . . . 5 . . . 6156 2 25 . 1 1 5 5 GLU HG3 H 1 2.40 0.02 . 2 . . . . 5 . . . 6156 2 26 . 1 1 6 6 ARG H H 1 8.42 0.02 . 1 . . . . 6 . . . 6156 2 27 . 1 1 6 6 ARG HA H 1 3.93 0.02 . 1 . . . . 6 . . . 6156 2 28 . 1 1 6 6 ARG HB2 H 1 1.74 0.02 . 2 . . . . 6 . . . 6156 2 29 . 1 1 6 6 ARG HB3 H 1 1.83 0.02 . 2 . . . . 6 . . . 6156 2 30 . 1 1 6 6 ARG HG2 H 1 1.47 0.02 . 2 . . . . 6 . . . 6156 2 31 . 1 1 6 6 ARG HG3 H 1 1.57 0.02 . 2 . . . . 6 . . . 6156 2 32 . 1 1 6 6 ARG HD2 H 1 3.16 0.02 . 1 . . . . 6 . . . 6156 2 33 . 1 1 6 6 ARG HD3 H 1 3.16 0.02 . 1 . . . . 6 . . . 6156 2 34 . 1 1 6 6 ARG HE H 1 7.23 0.02 . 1 . . . . 6 . . . 6156 2 35 . 1 1 7 7 ALA H H 1 7.99 0.02 . 1 . . . . 7 . . . 6156 2 36 . 1 1 7 7 ALA HA H 1 4.03 0.02 . 1 . . . . 7 . . . 6156 2 37 . 1 1 7 7 ALA HB1 H 1 1.44 0.02 . 1 . . . . 7 . . . 6156 2 38 . 1 1 7 7 ALA HB2 H 1 1.44 0.02 . 1 . . . . 7 . . . 6156 2 39 . 1 1 7 7 ALA HB3 H 1 1.44 0.02 . 1 . . . . 7 . . . 6156 2 40 . 1 1 8 8 ALA H H 1 7.83 0.02 . 1 . . . . 8 . . . 6156 2 41 . 1 1 8 8 ALA HA H 1 4.14 0.02 . 1 . . . . 8 . . . 6156 2 42 . 1 1 8 8 ALA HB1 H 1 1.43 0.02 . 1 . . . . 8 . . . 6156 2 43 . 1 1 8 8 ALA HB2 H 1 1.43 0.02 . 1 . . . . 8 . . . 6156 2 44 . 1 1 8 8 ALA HB3 H 1 1.43 0.02 . 1 . . . . 8 . . . 6156 2 45 . 1 1 9 9 ARG H H 1 8.01 0.02 . 1 . . . . 9 . . . 6156 2 46 . 1 1 9 9 ARG HA H 1 4.08 0.02 . 1 . . . . 9 . . . 6156 2 47 . 1 1 9 9 ARG HB2 H 1 1.81 0.02 . 2 . . . . 9 . . . 6156 2 48 . 1 1 9 9 ARG HB3 H 1 2.02 0.02 . 2 . . . . 9 . . . 6156 2 49 . 1 1 9 9 ARG HG2 H 1 1.55 0.02 . 2 . . . . 9 . . . 6156 2 50 . 1 1 9 9 ARG HG3 H 1 1.60 0.02 . 2 . . . . 9 . . . 6156 2 51 . 1 1 9 9 ARG HD2 H 1 3.11 0.02 . 2 . . . . 9 . . . 6156 2 52 . 1 1 9 9 ARG HD3 H 1 3.31 0.02 . 2 . . . . 9 . . . 6156 2 53 . 1 1 9 9 ARG HE H 1 8.59 0.02 . 1 . . . . 9 . . . 6156 2 54 . 1 1 10 10 LEU H H 1 8.27 0.02 . 1 . . . . 10 . . . 6156 2 55 . 1 1 10 10 LEU HA H 1 4.09 0.02 . 1 . . . . 10 . . . 6156 2 56 . 1 1 10 10 LEU HB2 H 1 1.73 0.02 . 1 . . . . 10 . . . 6156 2 57 . 1 1 10 10 LEU HB3 H 1 1.73 0.02 . 1 . . . . 10 . . . 6156 2 58 . 1 1 10 10 LEU HG H 1 1.51 0.02 . 1 . . . . 10 . . . 6156 2 59 . 1 1 10 10 LEU HD11 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 60 . 1 1 10 10 LEU HD12 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 61 . 1 1 10 10 LEU HD13 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 62 . 1 1 10 10 LEU HD21 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 63 . 1 1 10 10 LEU HD22 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 64 . 1 1 10 10 LEU HD23 H 1 0.83 0.02 . 1 . . . . 10 . . . 6156 2 65 . 1 1 11 11 ALA H H 1 7.89 0.02 . 1 . . . . 11 . . . 6156 2 66 . 1 1 11 11 ALA HA H 1 4.16 0.02 . 1 . . . . 11 . . . 6156 2 67 . 1 1 11 11 ALA HB1 H 1 1.44 0.02 . 1 . . . . 11 . . . 6156 2 68 . 1 1 11 11 ALA HB2 H 1 1.44 0.02 . 1 . . . . 11 . . . 6156 2 69 . 1 1 11 11 ALA HB3 H 1 1.44 0.02 . 1 . . . . 11 . . . 6156 2 70 . 1 1 12 12 LYS H H 1 7.69 0.02 . 1 . . . . 12 . . . 6156 2 71 . 1 1 12 12 LYS HA H 1 4.15 0.02 . 1 . . . . 12 . . . 6156 2 72 . 1 1 12 12 LYS HB2 H 1 1.85 0.02 . 2 . . . . 12 . . . 6156 2 73 . 1 1 12 12 LYS HB3 H 1 1.91 0.02 . 2 . . . . 12 . . . 6156 2 74 . 1 1 12 12 LYS HG2 H 1 1.43 0.02 . 2 . . . . 12 . . . 6156 2 75 . 1 1 12 12 LYS HG3 H 1 1.55 0.02 . 2 . . . . 12 . . . 6156 2 76 . 1 1 12 12 LYS HD2 H 1 1.67 0.02 . 1 . . . . 12 . . . 6156 2 77 . 1 1 12 12 LYS HD3 H 1 1.67 0.02 . 1 . . . . 12 . . . 6156 2 78 . 1 1 12 12 LYS HE2 H 1 2.95 0.02 . 1 . . . . 12 . . . 6156 2 79 . 1 1 12 12 LYS HE3 H 1 2.95 0.02 . 1 . . . . 12 . . . 6156 2 80 . 1 1 12 12 LYS HZ1 H 1 7.52 0.02 . 1 . . . . 12 . . . 6156 2 81 . 1 1 12 12 LYS HZ2 H 1 7.52 0.02 . 1 . . . . 12 . . . 6156 2 82 . 1 1 12 12 LYS HZ3 H 1 7.52 0.02 . 1 . . . . 12 . . . 6156 2 83 . 1 1 13 13 MET H H 1 7.94 0.02 . 1 . . . . 13 . . . 6156 2 84 . 1 1 13 13 MET HA H 1 4.35 0.02 . 1 . . . . 13 . . . 6156 2 85 . 1 1 13 13 MET HB2 H 1 2.10 0.02 . 2 . . . . 13 . . . 6156 2 86 . 1 1 13 13 MET HB3 H 1 2.16 0.02 . 2 . . . . 13 . . . 6156 2 87 . 1 1 13 13 MET HG2 H 1 2.59 0.02 . 2 . . . . 13 . . . 6156 2 88 . 1 1 13 13 MET HG3 H 1 2.69 0.02 . 2 . . . . 13 . . . 6156 2 89 . 1 1 14 14 SER H H 1 8.13 0.02 . 1 . . . . 14 . . . 6156 2 90 . 1 1 14 14 SER HA H 1 4.33 0.02 . 1 . . . . 14 . . . 6156 2 91 . 1 1 14 14 SER HB2 H 1 3.88 0.02 . 2 . . . . 14 . . . 6156 2 92 . 1 1 14 14 SER HB3 H 1 3.93 0.02 . 2 . . . . 14 . . . 6156 2 93 . 1 1 15 15 ALA H H 1 8.07 0.02 . 1 . . . . 15 . . . 6156 2 94 . 1 1 15 15 ALA HA H 1 4.19 0.02 . 1 . . . . 15 . . . 6156 2 95 . 1 1 15 15 ALA HB1 H 1 1.32 0.02 . 1 . . . . 15 . . . 6156 2 96 . 1 1 15 15 ALA HB2 H 1 1.32 0.02 . 1 . . . . 15 . . . 6156 2 97 . 1 1 15 15 ALA HB3 H 1 1.32 0.02 . 1 . . . . 15 . . . 6156 2 98 . 1 1 16 16 TYR H H 1 7.97 0.02 . 1 . . . . 16 . . . 6156 2 99 . 1 1 16 16 TYR HA H 1 4.39 0.02 . 1 . . . . 16 . . . 6156 2 100 . 1 1 16 16 TYR HB2 H 1 2.99 0.02 . 2 . . . . 16 . . . 6156 2 101 . 1 1 16 16 TYR HB3 H 1 3.04 0.02 . 2 . . . . 16 . . . 6156 2 102 . 1 1 16 16 TYR HD1 H 1 7.09 0.02 . 1 . . . . 16 . . . 6156 2 103 . 1 1 16 16 TYR HD2 H 1 7.09 0.02 . 1 . . . . 16 . . . 6156 2 104 . 1 1 16 16 TYR HE1 H 1 6.78 0.02 . 1 . . . . 16 . . . 6156 2 105 . 1 1 16 16 TYR HE2 H 1 6.78 0.02 . 1 . . . . 16 . . . 6156 2 106 . 1 1 17 17 ALA H H 1 7.95 0.02 . 1 . . . . 17 . . . 6156 2 107 . 1 1 17 17 ALA HA H 1 4.13 0.02 . 1 . . . . 17 . . . 6156 2 108 . 1 1 17 17 ALA HB1 H 1 1.37 0.02 . 1 . . . . 17 . . . 6156 2 109 . 1 1 17 17 ALA HB2 H 1 1.37 0.02 . 1 . . . . 17 . . . 6156 2 110 . 1 1 17 17 ALA HB3 H 1 1.37 0.02 . 1 . . . . 17 . . . 6156 2 111 . 1 1 18 18 ALA H H 1 8.00 0.02 . 1 . . . . 18 . . . 6156 2 112 . 1 1 18 18 ALA HA H 1 4.16 0.02 . 1 . . . . 18 . . . 6156 2 113 . 1 1 18 18 ALA HB1 H 1 1.38 0.02 . 1 . . . . 18 . . . 6156 2 114 . 1 1 18 18 ALA HB2 H 1 1.38 0.02 . 1 . . . . 18 . . . 6156 2 115 . 1 1 18 18 ALA HB3 H 1 1.38 0.02 . 1 . . . . 18 . . . 6156 2 116 . 1 1 19 19 GLN H H 1 8.02 0.02 . 1 . . . . 19 . . . 6156 2 117 . 1 1 19 19 GLN HA H 1 4.19 0.02 . 1 . . . . 19 . . . 6156 2 118 . 1 1 19 19 GLN HB2 H 1 1.98 0.02 . 2 . . . . 19 . . . 6156 2 119 . 1 1 19 19 GLN HB3 H 1 2.04 0.02 . 2 . . . . 19 . . . 6156 2 120 . 1 1 19 19 GLN HG2 H 1 2.33 0.02 . 2 . . . . 19 . . . 6156 2 121 . 1 1 19 19 GLN HG3 H 1 2.37 0.02 . 2 . . . . 19 . . . 6156 2 122 . 1 1 19 19 GLN HE21 H 1 6.83 0.02 . 2 . . . . 19 . . . 6156 2 123 . 1 1 19 19 GLN HE22 H 1 7.53 0.02 . 2 . . . . 19 . . . 6156 2 124 . 1 1 20 20 ARG H H 1 8.10 0.02 . 1 . . . . 20 . . . 6156 2 125 . 1 1 20 20 ARG HA H 1 4.29 0.02 . 1 . . . . 20 . . . 6156 2 126 . 1 1 20 20 ARG HD2 H 1 3.12 0.02 . 1 . . . . 20 . . . 6156 2 127 . 1 1 20 20 ARG HD3 H 1 3.12 0.02 . 1 . . . . 20 . . . 6156 2 128 . 1 1 20 20 ARG HE H 1 7.14 0.02 . 1 . . . . 20 . . . 6156 2 129 . 1 1 21 21 LEU H H 1 8.13 0.02 . 1 . . . . 21 . . . 6156 2 130 . 1 1 21 21 LEU HA H 1 4.29 0.02 . 1 . . . . 21 . . . 6156 2 131 . 1 1 21 21 LEU HB2 H 1 1.62 0.02 . 1 . . . . 21 . . . 6156 2 132 . 1 1 21 21 LEU HB3 H 1 1.62 0.02 . 1 . . . . 21 . . . 6156 2 133 . 1 1 21 21 LEU HG H 1 1.56 0.02 . 1 . . . . 21 . . . 6156 2 134 . 1 1 21 21 LEU HD11 H 1 0.82 0.02 . 2 . . . . 21 . . . 6156 2 135 . 1 1 21 21 LEU HD12 H 1 0.82 0.02 . 2 . . . . 21 . . . 6156 2 136 . 1 1 21 21 LEU HD13 H 1 0.82 0.02 . 2 . . . . 21 . . . 6156 2 137 . 1 1 21 21 LEU HD21 H 1 0.88 0.02 . 2 . . . . 21 . . . 6156 2 138 . 1 1 21 21 LEU HD22 H 1 0.88 0.02 . 2 . . . . 21 . . . 6156 2 139 . 1 1 21 21 LEU HD23 H 1 0.88 0.02 . 2 . . . . 21 . . . 6156 2 140 . 1 1 22 22 ALA H H 1 8.07 0.02 . 1 . . . . 22 . . . 6156 2 141 . 1 1 22 22 ALA HA H 1 4.23 0.02 . 1 . . . . 22 . . . 6156 2 142 . 1 1 22 22 ALA HB1 H 1 1.37 0.02 . 1 . . . . 22 . . . 6156 2 143 . 1 1 22 22 ALA HB2 H 1 1.37 0.02 . 1 . . . . 22 . . . 6156 2 144 . 1 1 22 22 ALA HB3 H 1 1.37 0.02 . 1 . . . . 22 . . . 6156 2 145 . 1 1 23 23 ASN H H 1 7.99 0.02 . 1 . . . . 23 . . . 6156 2 146 . 1 1 23 23 ASN HA H 1 4.48 0.02 . 1 . . . . 23 . . . 6156 2 147 . 1 1 23 23 ASN HB2 H 1 2.68 0.02 . 2 . . . . 23 . . . 6156 2 148 . 1 1 23 23 ASN HB3 H 1 2.73 0.02 . 2 . . . . 23 . . . 6156 2 stop_ save_