################################### # 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4724 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 4724 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 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 4724 1 2 . 1 1 1 1 GLN HA H 1 4.38 0.01 . 1 . . . . . . . . 4724 1 3 . 1 1 1 1 GLN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4724 1 4 . 1 1 1 1 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4724 1 5 . 1 1 1 1 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 4724 1 6 . 1 1 1 1 GLN HG3 H 1 2.37 0.01 . 1 . . . . . . . . 4724 1 7 . 1 1 1 1 GLN HE21 H 1 7.33 0.01 . 1 . . . . . . . . 4724 1 8 . 1 1 1 1 GLN HE22 H 1 6.67 0.01 . 1 . . . . . . . . 4724 1 9 . 1 1 1 1 GLN CA C 13 57.0 0.1 . 1 . . . . . . . . 4724 1 10 . 1 1 1 1 GLN CB C 13 30.9 0.1 . 1 . . . . . . . . 4724 1 11 . 1 1 1 1 GLN CG C 13 34.9 0.1 . 1 . . . . . . . . 4724 1 12 . 1 1 2 2 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4724 1 13 . 1 1 2 2 ALA HA H 1 4.57 0.01 . 1 . . . . . . . . 4724 1 14 . 1 1 2 2 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 15 . 1 1 2 2 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 16 . 1 1 2 2 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 17 . 1 1 2 2 ALA CA C 13 53.4 0.1 . 1 . . . . . . . . 4724 1 18 . 1 1 2 2 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 4724 1 19 . 1 1 3 3 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 4724 1 20 . 1 1 3 3 PRO HB2 H 1 2.37 0.01 . 1 . . . . . . . . 4724 1 21 . 1 1 3 3 PRO HB3 H 1 1.83 0.01 . 1 . . . . . . . . 4724 1 22 . 1 1 3 3 PRO HG2 H 1 2.09 0.01 . 1 . . . . . . . . 4724 1 23 . 1 1 3 3 PRO HG3 H 1 2.09 0.01 . 1 . . . . . . . . 4724 1 24 . 1 1 3 3 PRO HD2 H 1 3.86 0.01 . 1 . . . . . . . . 4724 1 25 . 1 1 3 3 PRO HD3 H 1 3.67 0.01 . 1 . . . . . . . . 4724 1 26 . 1 1 3 3 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 4724 1 27 . 1 1 3 3 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 4724 1 28 . 1 1 3 3 PRO CG C 13 28.7 0.1 . 1 . . . . . . . . 4724 1 29 . 1 1 3 3 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 4724 1 30 . 1 1 4 4 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 4724 1 31 . 1 1 4 4 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 4724 1 32 . 1 1 4 4 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 33 . 1 1 4 4 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 34 . 1 1 4 4 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 35 . 1 1 4 4 ALA CA C 13 55.9 0.1 . 1 . . . . . . . . 4724 1 36 . 1 1 4 4 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 4724 1 37 . 1 1 5 5 TYR H H 1 7.69 0.01 . 1 . . . . . . . . 4724 1 38 . 1 1 5 5 TYR HA H 1 4.37 0.01 . 1 . . . . . . . . 4724 1 39 . 1 1 5 5 TYR HB2 H 1 3.16 0.01 . 1 . . . . . . . . 4724 1 40 . 1 1 5 5 TYR HB3 H 1 3.16 0.01 . 1 . . . . . . . . 4724 1 41 . 1 1 5 5 TYR HD1 H 1 7.13 0.01 . 1 . . . . . . . . 4724 1 42 . 1 1 5 5 TYR HD2 H 1 7.13 0.01 . 1 . . . . . . . . 4724 1 43 . 1 1 5 5 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . 4724 1 44 . 1 1 5 5 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . 4724 1 45 . 1 1 5 5 TYR CA C 13 61.1 0.1 . 1 . . . . . . . . 4724 1 46 . 1 1 5 5 TYR CB C 13 38.8 0.1 . 1 . . . . . . . . 4724 1 47 . 1 1 6 6 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 4724 1 48 . 1 1 6 6 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 4724 1 49 . 1 1 6 6 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 4724 1 50 . 1 1 6 6 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . 4724 1 51 . 1 1 6 6 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 4724 1 52 . 1 1 6 6 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 4724 1 53 . 1 1 6 6 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 4724 1 54 . 1 1 6 6 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 4724 1 55 . 1 1 6 6 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 4724 1 56 . 1 1 6 6 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 4724 1 57 . 1 1 6 6 LYS CA C 13 60.5 0.1 . 1 . . . . . . . . 4724 1 58 . 1 1 6 6 LYS CB C 13 33.4 0.1 . 1 . . . . . . . . 4724 1 59 . 1 1 6 6 LYS CG C 13 26.5 0.1 . 1 . . . . . . . . 4724 1 60 . 1 1 6 6 LYS CD C 13 30.5 0.1 . 1 . . . . . . . . 4724 1 61 . 1 1 6 6 LYS CE C 13 43.3 0.1 . 1 . . . . . . . . 4724 1 62 . 1 1 7 7 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 4724 1 63 . 1 1 7 7 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 4724 1 64 . 1 1 7 7 LYS HB2 H 1 1.93 0.01 . 1 . . . . . . . . 4724 1 65 . 1 1 7 7 LYS HB3 H 1 1.93 0.01 . 1 . . . . . . . . 4724 1 66 . 1 1 7 7 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 4724 1 67 . 1 1 7 7 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 4724 1 68 . 1 1 7 7 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 4724 1 69 . 1 1 7 7 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 4724 1 70 . 1 1 7 7 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4724 1 71 . 1 1 7 7 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4724 1 72 . 1 1 7 7 LYS CA C 13 60.5 0.1 . 1 . . . . . . . . 4724 1 73 . 1 1 7 7 LYS CB C 13 33.5 0.1 . 1 . . . . . . . . 4724 1 74 . 1 1 7 7 LYS CG C 13 26.3 0.1 . 1 . . . . . . . . 4724 1 75 . 1 1 7 7 LYS CD C 13 30.5 0.1 . 1 . . . . . . . . 4724 1 76 . 1 1 7 7 LYS CE C 13 43.3 0.1 . 1 . . . . . . . . 4724 1 77 . 1 1 8 8 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 4724 1 78 . 1 1 8 8 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4724 1 79 . 1 1 8 8 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4724 1 80 . 1 1 8 8 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4724 1 81 . 1 1 8 8 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4724 1 82 . 1 1 8 8 ALA CA C 13 56.0 0.1 . 1 . . . . . . . . 4724 1 83 . 1 1 8 8 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 4724 1 84 . 1 1 9 9 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 4724 1 85 . 1 1 9 9 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4724 1 86 . 1 1 9 9 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4724 1 87 . 1 1 9 9 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4724 1 88 . 1 1 9 9 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4724 1 89 . 1 1 9 9 ALA CA C 13 56.2 0.1 . 1 . . . . . . . . 4724 1 90 . 1 1 9 9 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 4724 1 91 . 1 1 10 10 LYS H H 1 7.86 0.01 . 1 . . . . . . . . 4724 1 92 . 1 1 10 10 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4724 1 93 . 1 1 10 10 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4724 1 94 . 1 1 10 10 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4724 1 95 . 1 1 10 10 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 4724 1 96 . 1 1 10 10 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4724 1 97 . 1 1 10 10 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 4724 1 98 . 1 1 10 10 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 4724 1 99 . 1 1 10 10 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 4724 1 100 . 1 1 10 10 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 4724 1 101 . 1 1 10 10 LYS CA C 13 60.3 0.1 . 1 . . . . . . . . 4724 1 102 . 1 1 10 10 LYS CB C 13 33.8 0.1 . 1 . . . . . . . . 4724 1 103 . 1 1 10 10 LYS CG C 13 25.7 0.1 . 1 . . . . . . . . 4724 1 104 . 1 1 10 10 LYS CD C 13 30.5 0.1 . 1 . . . . . . . . 4724 1 105 . 1 1 10 10 LYS CE C 13 43.3 0.1 . 1 . . . . . . . . 4724 1 106 . 1 1 11 11 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 4724 1 107 . 1 1 11 11 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 4724 1 108 . 1 1 11 11 LYS HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4724 1 109 . 1 1 11 11 LYS HB3 H 1 2.01 0.01 . 1 . . . . . . . . 4724 1 110 . 1 1 11 11 LYS HG2 H 1 1.53 0.01 . 1 . . . . . . . . 4724 1 111 . 1 1 11 11 LYS HG3 H 1 1.53 0.01 . 1 . . . . . . . . 4724 1 112 . 1 1 11 11 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 4724 1 113 . 1 1 11 11 LYS HD3 H 1 1.76 0.01 . 1 . . . . . . . . 4724 1 114 . 1 1 11 11 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4724 1 115 . 1 1 11 11 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4724 1 116 . 1 1 11 11 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 4724 1 117 . 1 1 11 11 LYS CB C 13 33.6 0.1 . 1 . . . . . . . . 4724 1 118 . 1 1 11 11 LYS CG C 13 25.5 0.1 . 1 . . . . . . . . 4724 1 119 . 1 1 11 11 LYS CD C 13 29.7 0.1 . 1 . . . . . . . . 4724 1 120 . 1 1 11 11 LYS CE C 13 43.3 0.1 . 1 . . . . . . . . 4724 1 121 . 1 1 12 12 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4724 1 122 . 1 1 12 12 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 4724 1 123 . 1 1 12 12 LEU HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4724 1 124 . 1 1 12 12 LEU HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4724 1 125 . 1 1 12 12 LEU HG H 1 1.78 0.01 . 1 . . . . . . . . 4724 1 126 . 1 1 12 12 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 127 . 1 1 12 12 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 128 . 1 1 12 12 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 129 . 1 1 12 12 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 130 . 1 1 12 12 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 131 . 1 1 12 12 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4724 1 132 . 1 1 12 12 LEU CA C 13 59.0 0.1 . 1 . . . . . . . . 4724 1 133 . 1 1 12 12 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 4724 1 134 . 1 1 12 12 LEU CG C 13 28.0 0.1 . 1 . . . . . . . . 4724 1 135 . 1 1 12 12 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 4724 1 136 . 1 1 12 12 LEU CD2 C 13 24.0 0.1 . 1 . . . . . . . . 4724 1 137 . 1 1 13 13 ALA H H 1 8.19 0.01 . 1 . . . . . . . . 4724 1 138 . 1 1 13 13 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 4724 1 139 . 1 1 13 13 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 4724 1 140 . 1 1 13 13 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4724 1 141 . 1 1 13 13 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4724 1 142 . 1 1 13 13 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 4724 1 143 . 1 1 13 13 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 4724 1 144 . 1 1 14 14 GLU H H 1 8.10 0.01 . 1 . . . . . . . . 4724 1 145 . 1 1 14 14 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 4724 1 146 . 1 1 14 14 GLU HB2 H 1 2.21 0.01 . 1 . . . . . . . . 4724 1 147 . 1 1 14 14 GLU HB3 H 1 2.21 0.01 . 1 . . . . . . . . 4724 1 148 . 1 1 14 14 GLU HG2 H 1 2.62 0.01 . 1 . . . . . . . . 4724 1 149 . 1 1 14 14 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4724 1 150 . 1 1 14 14 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 4724 1 151 . 1 1 14 14 GLU CB C 13 31.0 0.1 . 1 . . . . . . . . 4724 1 152 . 1 1 14 14 GLU CG C 13 37.7 0.1 . 1 . . . . . . . . 4724 1 153 . 1 1 15 15 SER H H 1 7.88 0.01 . 1 . . . . . . . . 4724 1 154 . 1 1 15 15 SER HA H 1 4.46 0.01 . 1 . . . . . . . . 4724 1 155 . 1 1 15 15 SER HB2 H 1 4.07 0.01 . 1 . . . . . . . . 4724 1 156 . 1 1 15 15 SER HB3 H 1 4.07 0.01 . 1 . . . . . . . . 4724 1 157 . 1 1 15 15 SER CA C 13 60.6 0.1 . 1 . . . . . . . . 4724 1 158 . 1 1 15 15 SER CB C 13 65.2 0.1 . 1 . . . . . . . . 4724 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 4724 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . . 2 $sample_2 . 4724 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 GLN H H 1 8.27 0.01 . 1 . . . . . . . . 4724 2 2 . 1 1 1 1 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 4724 2 3 . 1 1 1 1 GLN HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4724 2 4 . 1 1 1 1 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4724 2 5 . 1 1 1 1 GLN HG2 H 1 2.39 0.01 . 1 . . . . . . . . 4724 2 6 . 1 1 1 1 GLN HG3 H 1 2.39 0.01 . 1 . . . . . . . . 4724 2 7 . 1 1 1 1 GLN HE21 H 1 7.56 0.01 . 1 . . . . . . . . 4724 2 8 . 1 1 1 1 GLN HE22 H 1 6.88 0.01 . 1 . . . . . . . . 4724 2 9 . 1 1 1 1 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . 4724 2 10 . 1 1 1 1 GLN CB C 13 30.1 0.1 . 1 . . . . . . . . 4724 2 11 . 1 1 1 1 GLN CG C 13 34.0 0.1 . 1 . . . . . . . . 4724 2 12 . 1 1 2 2 ALA H H 1 8.38 0.01 . 1 . . . . . . . . 4724 2 13 . 1 1 2 2 ALA HA H 1 4.59 0.01 . 1 . . . . . . . . 4724 2 14 . 1 1 2 2 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 4724 2 15 . 1 1 2 2 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 4724 2 16 . 1 1 2 2 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 4724 2 17 . 1 1 2 2 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 4724 2 18 . 1 1 2 2 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 4724 2 19 . 1 1 3 3 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 4724 2 20 . 1 1 3 3 PRO HB2 H 1 2.40 0.01 . 1 . . . . . . . . 4724 2 21 . 1 1 3 3 PRO HB3 H 1 1.74 0.01 . 1 . . . . . . . . 4724 2 22 . 1 1 3 3 PRO HG2 H 1 2.08 0.01 . 1 . . . . . . . . 4724 2 23 . 1 1 3 3 PRO HG3 H 1 2.08 0.01 . 1 . . . . . . . . 4724 2 24 . 1 1 3 3 PRO HD2 H 1 3.84 0.01 . 1 . . . . . . . . 4724 2 25 . 1 1 3 3 PRO HD3 H 1 3.62 0.01 . 1 . . . . . . . . 4724 2 26 . 1 1 3 3 PRO CA C 13 64.0 0.1 . 1 . . . . . . . . 4724 2 27 . 1 1 3 3 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 4724 2 28 . 1 1 3 3 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . 4724 2 29 . 1 1 3 3 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 4724 2 30 . 1 1 4 4 ALA H H 1 8.49 0.01 . 1 . . . . . . . . 4724 2 31 . 1 1 4 4 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 4724 2 32 . 1 1 4 4 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4724 2 33 . 1 1 4 4 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4724 2 34 . 1 1 4 4 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4724 2 35 . 1 1 4 4 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4724 2 36 . 1 1 4 4 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 4724 2 37 . 1 1 5 5 TYR H H 1 7.91 0.01 . 1 . . . . . . . . 4724 2 38 . 1 1 5 5 TYR HA H 1 4.29 0.01 . 1 . . . . . . . . 4724 2 39 . 1 1 5 5 TYR HB2 H 1 3.08 0.01 . 1 . . . . . . . . 4724 2 40 . 1 1 5 5 TYR HB3 H 1 3.08 0.01 . 1 . . . . . . . . 4724 2 41 . 1 1 5 5 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . 4724 2 42 . 1 1 5 5 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . 4724 2 43 . 1 1 5 5 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 4724 2 44 . 1 1 5 5 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 4724 2 45 . 1 1 5 5 TYR CA C 13 60.5 0.1 . 1 . . . . . . . . 4724 2 46 . 1 1 5 5 TYR CB C 13 37.8 0.1 . 1 . . . . . . . . 4724 2 47 . 1 1 6 6 LYS H H 1 7.48 0.01 . 1 . . . . . . . . 4724 2 48 . 1 1 6 6 LYS HA H 1 3.96 0.01 . 1 . . . . . . . . 4724 2 49 . 1 1 6 6 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4724 2 50 . 1 1 6 6 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4724 2 51 . 1 1 6 6 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 4724 2 52 . 1 1 6 6 LYS HG3 H 1 1.32 0.01 . 1 . . . . . . . . 4724 2 53 . 1 1 6 6 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4724 2 54 . 1 1 6 6 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4724 2 55 . 1 1 6 6 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4724 2 56 . 1 1 6 6 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4724 2 57 . 1 1 6 6 LYS CA C 13 59.3 0.1 . 1 . . . . . . . . 4724 2 58 . 1 1 6 6 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 4724 2 59 . 1 1 7 7 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 4724 2 60 . 1 1 7 7 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 4724 2 61 . 1 1 7 7 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4724 2 62 . 1 1 7 7 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4724 2 63 . 1 1 7 7 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4724 2 64 . 1 1 7 7 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4724 2 65 . 1 1 7 7 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 4724 2 66 . 1 1 7 7 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 4724 2 67 . 1 1 7 7 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4724 2 68 . 1 1 7 7 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4724 2 69 . 1 1 7 7 LYS CA C 13 59.3 0.1 . 1 . . . . . . . . 4724 2 70 . 1 1 7 7 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 4724 2 71 . 1 1 8 8 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 4724 2 72 . 1 1 8 8 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 4724 2 73 . 1 1 8 8 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4724 2 74 . 1 1 8 8 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4724 2 75 . 1 1 8 8 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4724 2 76 . 1 1 8 8 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4724 2 77 . 1 1 8 8 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 4724 2 78 . 1 1 9 9 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 4724 2 79 . 1 1 9 9 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 4724 2 80 . 1 1 9 9 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4724 2 81 . 1 1 9 9 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4724 2 82 . 1 1 9 9 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4724 2 83 . 1 1 9 9 ALA CA C 13 55.3 0.1 . 1 . . . . . . . . 4724 2 84 . 1 1 9 9 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 4724 2 85 . 1 1 10 10 LYS H H 1 7.90 0.01 . 1 . . . . . . . . 4724 2 86 . 1 1 10 10 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 4724 2 87 . 1 1 10 10 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4724 2 88 . 1 1 10 10 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4724 2 89 . 1 1 10 10 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4724 2 90 . 1 1 10 10 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4724 2 91 . 1 1 10 10 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4724 2 92 . 1 1 10 10 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4724 2 93 . 1 1 10 10 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4724 2 94 . 1 1 10 10 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4724 2 95 . 1 1 10 10 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 4724 2 96 . 1 1 10 10 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 4724 2 97 . 1 1 11 11 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 4724 2 98 . 1 1 11 11 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 4724 2 99 . 1 1 11 11 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4724 2 100 . 1 1 11 11 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4724 2 101 . 1 1 11 11 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4724 2 102 . 1 1 11 11 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4724 2 103 . 1 1 11 11 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 4724 2 104 . 1 1 11 11 LYS HD3 H 1 1.76 0.01 . 1 . . . . . . . . 4724 2 105 . 1 1 11 11 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4724 2 106 . 1 1 11 11 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4724 2 107 . 1 1 11 11 LYS CA C 13 58.5 0.1 . 1 . . . . . . . . 4724 2 108 . 1 1 11 11 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 4724 2 109 . 1 1 12 12 LEU H H 1 8.16 0.01 . 1 . . . . . . . . 4724 2 110 . 1 1 12 12 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 4724 2 111 . 1 1 12 12 LEU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4724 2 112 . 1 1 12 12 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 4724 2 113 . 1 1 12 12 LEU HG H 1 1.80 0.01 . 1 . . . . . . . . 4724 2 114 . 1 1 12 12 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 115 . 1 1 12 12 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 116 . 1 1 12 12 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 117 . 1 1 12 12 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 118 . 1 1 12 12 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 119 . 1 1 12 12 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4724 2 120 . 1 1 12 12 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4724 2 121 . 1 1 12 12 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 4724 2 122 . 1 1 12 12 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 4724 2 123 . 1 1 12 12 LEU CD1 C 13 25.2 0.1 . 1 . . . . . . . . 4724 2 124 . 1 1 12 12 LEU CD2 C 13 24.4 0.1 . 1 . . . . . . . . 4724 2 125 . 1 1 13 13 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 4724 2 126 . 1 1 13 13 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4724 2 127 . 1 1 13 13 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 4724 2 128 . 1 1 13 13 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4724 2 129 . 1 1 13 13 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4724 2 130 . 1 1 13 13 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 4724 2 131 . 1 1 13 13 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 4724 2 132 . 1 1 14 14 GLU H H 1 7.97 0.01 . 1 . . . . . . . . 4724 2 133 . 1 1 14 14 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 4724 2 134 . 1 1 14 14 GLU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4724 2 135 . 1 1 14 14 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4724 2 136 . 1 1 14 14 GLU HG2 H 1 2.54 0.01 . 1 . . . . . . . . 4724 2 137 . 1 1 14 14 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4724 2 138 . 1 1 14 14 GLU CA C 13 57.6 0.1 . 1 . . . . . . . . 4724 2 139 . 1 1 14 14 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 4724 2 140 . 1 1 14 14 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 4724 2 141 . 1 1 15 15 SER H H 1 7.91 0.01 . 1 . . . . . . . . 4724 2 142 . 1 1 15 15 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 4724 2 143 . 1 1 15 15 SER HB2 H 1 4.03 0.01 . 1 . . . . . . . . 4724 2 144 . 1 1 15 15 SER HB3 H 1 4.03 0.01 . 1 . . . . . . . . 4724 2 145 . 1 1 15 15 SER CA C 13 59.6 0.1 . 1 . . . . . . . . 4724 2 146 . 1 1 15 15 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 4724 2 stop_ save_