################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18879 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $315K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18879 1 2 '2D 1H-1H TOCSY' . . . 18879 1 3 '2D 1H-1H NOESY' . . . 18879 1 4 '3D 1H-15N TOCSY' . . . 18879 1 5 '3D 1H-15N NOESY' . . . 18879 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 ASP HA H 1 4.650 0.010 . 1 . . . A 59 ASP HA . 18879 1 2 . 1 1 1 1 ASP HB2 H 1 3.045 0.005 . 2 . . . A 59 ASP HB2 . 18879 1 3 . 1 1 1 1 ASP HB3 H 1 3.045 0.005 . 2 . . . A 59 ASP HB3 . 18879 1 4 . 1 1 2 2 THR H H 1 8.767 0.002 . 1 . . . A 60 THR HN . 18879 1 5 . 1 1 2 2 THR HA H 1 4.510 0.010 . 1 . . . A 60 THR HA . 18879 1 6 . 1 1 2 2 THR HB H 1 4.480 0.010 . 1 . . . A 60 THR HB . 18879 1 7 . 1 1 2 2 THR HG21 H 1 1.275 0.010 . 1 . . . A 60 THR HG21 . 18879 1 8 . 1 1 2 2 THR HG22 H 1 1.275 0.010 . 1 . . . A 60 THR HG22 . 18879 1 9 . 1 1 2 2 THR HG23 H 1 1.275 0.010 . 1 . . . A 60 THR HG23 . 18879 1 10 . 1 1 2 2 THR N N 15 115.1 0.1 . 1 . . . A 60 THR N . 18879 1 11 . 1 1 3 3 LEU H H 1 8.908 0.002 . 1 . . . A 61 LEU HN . 18879 1 12 . 1 1 3 3 LEU HA H 1 4.156 0.005 . 1 . . . A 61 LEU HA . 18879 1 13 . 1 1 3 3 LEU HB2 H 1 1.875 0.010 . 2 . . . A 61 LEU HB2 . 18879 1 14 . 1 1 3 3 LEU HB3 H 1 1.800 0.005 . 2 . . . A 61 LEU HB3 . 18879 1 15 . 1 1 3 3 LEU HG H 1 1.666 0.010 . 1 . . . A 61 LEU HG . 18879 1 16 . 1 1 3 3 LEU HD11 H 1 0.918 0.003 . 2 . . . A 61 LEU HD11 . 18879 1 17 . 1 1 3 3 LEU HD12 H 1 0.918 0.003 . 2 . . . A 61 LEU HD12 . 18879 1 18 . 1 1 3 3 LEU HD13 H 1 0.918 0.003 . 2 . . . A 61 LEU HD13 . 18879 1 19 . 1 1 3 3 LEU HD21 H 1 0.965 0.003 . 2 . . . A 61 LEU HD21 . 18879 1 20 . 1 1 3 3 LEU HD22 H 1 0.965 0.003 . 2 . . . A 61 LEU HD22 . 18879 1 21 . 1 1 3 3 LEU HD23 H 1 0.965 0.003 . 2 . . . A 61 LEU HD23 . 18879 1 22 . 1 1 3 3 LEU N N 15 124.1 0.1 . 1 . . . A 61 LEU N . 18879 1 23 . 1 1 4 4 LEU H H 1 8.505 0.002 . 1 . . . A 62 LEU HN . 18879 1 24 . 1 1 4 4 LEU HA H 1 4.020 0.005 . 1 . . . A 62 LEU HA . 18879 1 25 . 1 1 4 4 LEU HB2 H 1 1.770 0.010 . 2 . . . A 62 LEU HB2 . 18879 1 26 . 1 1 4 4 LEU HB3 H 1 1.740 0.005 . 2 . . . A 62 LEU HB3 . 18879 1 27 . 1 1 4 4 LEU HG H 1 1.527 0.005 . 1 . . . A 62 LEU HG . 18879 1 28 . 1 1 4 4 LEU HD11 H 1 0.865 0.003 . 2 . . . A 62 LEU HD11 . 18879 1 29 . 1 1 4 4 LEU HD12 H 1 0.865 0.003 . 2 . . . A 62 LEU HD12 . 18879 1 30 . 1 1 4 4 LEU HD13 H 1 0.865 0.003 . 2 . . . A 62 LEU HD13 . 18879 1 31 . 1 1 4 4 LEU HD21 H 1 0.943 0.003 . 2 . . . A 62 LEU HD21 . 18879 1 32 . 1 1 4 4 LEU HD22 H 1 0.943 0.003 . 2 . . . A 62 LEU HD22 . 18879 1 33 . 1 1 4 4 LEU HD23 H 1 0.943 0.003 . 2 . . . A 62 LEU HD23 . 18879 1 34 . 1 1 4 4 LEU N N 15 117.9 0.1 . 1 . . . A 62 LEU N . 18879 1 35 . 1 1 5 5 GLY H H 1 8.060 0.003 . 1 . . . A 63 GLY HN . 18879 1 36 . 1 1 5 5 GLY HA2 H 1 3.935 0.010 . 2 . . . A 63 GLY HA2 . 18879 1 37 . 1 1 5 5 GLY HA3 H 1 3.775 0.010 . 2 . . . A 63 GLY HA3 . 18879 1 38 . 1 1 5 5 GLY N N 15 104.7 0.1 . 1 . . . A 63 GLY N . 18879 1 39 . 1 1 6 6 ARG H H 1 7.670 0.002 . 1 . . . A 64 ARG HN . 18879 1 40 . 1 1 6 6 ARG HA H 1 4.400 0.005 . 1 . . . A 64 ARG HA . 18879 1 41 . 1 1 6 6 ARG HB2 H 1 1.952 0.004 . 2 . . . A 64 ARG HB2 . 18879 1 42 . 1 1 6 6 ARG HB3 H 1 1.760 0.004 . 2 . . . A 64 ARG HB3 . 18879 1 43 . 1 1 6 6 ARG HG2 H 1 1.650 0.004 . 2 . . . A 64 ARG HG2 . 18879 1 44 . 1 1 6 6 ARG HG3 H 1 1.650 0.004 . 2 . . . A 64 ARG HG3 . 18879 1 45 . 1 1 6 6 ARG HD2 H 1 3.204 0.002 . 2 . . . A 64 ARG HD2 . 18879 1 46 . 1 1 6 6 ARG HD3 H 1 3.204 0.002 . 2 . . . A 64 ARG HD3 . 18879 1 47 . 1 1 6 6 ARG HE H 1 7.363 0.001 . 1 . . . A 64 ARG HE . 18879 1 48 . 1 1 6 6 ARG N N 15 117.2 0.1 . 1 . . . A 64 ARG N . 18879 1 49 . 1 1 6 6 ARG NE N 15 84.3 0.1 . 1 . . . A 64 ARG NE . 18879 1 50 . 1 1 7 7 ILE H H 1 8.005 0.003 . 1 . . . A 65 ILE HN . 18879 1 51 . 1 1 7 7 ILE HA H 1 4.092 0.004 . 1 . . . A 65 ILE HA . 18879 1 52 . 1 1 7 7 ILE HB H 1 1.940 0.005 . 1 . . . A 65 ILE HB . 18879 1 53 . 1 1 7 7 ILE HG12 H 1 1.300 0.003 . 2 . . . A 65 ILE HG12 . 18879 1 54 . 1 1 7 7 ILE HG13 H 1 1.255 0.003 . 2 . . . A 65 ILE HG13 . 18879 1 55 . 1 1 7 7 ILE HG21 H 1 0.910 0.003 . 1 . . . A 65 ILE HG21 . 18879 1 56 . 1 1 7 7 ILE HG22 H 1 0.910 0.003 . 1 . . . A 65 ILE HG22 . 18879 1 57 . 1 1 7 7 ILE HG23 H 1 0.910 0.003 . 1 . . . A 65 ILE HG23 . 18879 1 58 . 1 1 7 7 ILE HD11 H 1 0.840 0.003 . 1 . . . A 65 ILE HD11 . 18879 1 59 . 1 1 7 7 ILE HD12 H 1 0.840 0.003 . 1 . . . A 65 ILE HD12 . 18879 1 60 . 1 1 7 7 ILE HD13 H 1 0.840 0.003 . 1 . . . A 65 ILE HD13 . 18879 1 61 . 1 1 7 7 ILE N N 15 116.5 0.1 . 1 . . . A 65 ILE N . 18879 1 62 . 1 1 8 8 LEU H H 1 8.367 0.002 . 1 . . . A 66 LEU HN . 18879 1 63 . 1 1 8 8 LEU HA H 1 4.245 0.004 . 1 . . . A 66 LEU HA . 18879 1 64 . 1 1 8 8 LEU HB2 H 1 1.910 0.005 . 2 . . . A 66 LEU HB2 . 18879 1 65 . 1 1 8 8 LEU HB3 H 1 1.800 0.003 . 2 . . . A 66 LEU HB3 . 18879 1 66 . 1 1 8 8 LEU HG H 1 1.615 0.003 . 1 . . . A 66 LEU HG . 18879 1 67 . 1 1 8 8 LEU HD11 H 1 0.873 0.002 . 2 . . . A 66 LEU HD11 . 18879 1 68 . 1 1 8 8 LEU HD12 H 1 0.873 0.002 . 2 . . . A 66 LEU HD12 . 18879 1 69 . 1 1 8 8 LEU HD13 H 1 0.873 0.002 . 2 . . . A 66 LEU HD13 . 18879 1 70 . 1 1 8 8 LEU HD21 H 1 0.920 0.002 . 2 . . . A 66 LEU HD21 . 18879 1 71 . 1 1 8 8 LEU HD22 H 1 0.920 0.002 . 2 . . . A 66 LEU HD22 . 18879 1 72 . 1 1 8 8 LEU HD23 H 1 0.920 0.002 . 2 . . . A 66 LEU HD23 . 18879 1 73 . 1 1 8 8 LEU N N 15 119.7 0.1 . 1 . . . A 66 LEU N . 18879 1 74 . 1 1 9 9 PRO HB2 H 1 1.930 0.020 . 2 . . . A 67 PRO HB2 . 18879 1 75 . 1 1 9 9 PRO HB3 H 1 1.930 0.020 . 2 . . . A 67 PRO HB3 . 18879 1 76 . 1 1 9 9 PRO HD2 H 1 3.655 0.020 . 2 . . . A 67 PRO HD2 . 18879 1 77 . 1 1 9 9 PRO HD3 H 1 3.600 0.020 . 2 . . . A 67 PRO HD3 . 18879 1 78 . 1 1 10 10 GLN H H 1 7.245 0.003 . 1 . . . A 68 GLN HN . 18879 1 79 . 1 1 10 10 GLN HA H 1 4.055 0.004 . 1 . . . A 68 GLN HA . 18879 1 80 . 1 1 10 10 GLN HB2 H 1 2.220 0.002 . 2 . . . A 68 GLN HB2 . 18879 1 81 . 1 1 10 10 GLN HB3 H 1 2.130 0.002 . 2 . . . A 68 GLN HB3 . 18879 1 82 . 1 1 10 10 GLN HG2 H 1 2.477 0.002 . 2 . . . A 68 GLN HG2 . 18879 1 83 . 1 1 10 10 GLN HG3 H 1 2.445 0.002 . 2 . . . A 68 GLN HG3 . 18879 1 84 . 1 1 10 10 GLN HE21 H 1 6.840 0.003 . 2 . . . A 68 GLN HE21 . 18879 1 85 . 1 1 10 10 GLN HE22 H 1 7.460 0.003 . 2 . . . A 68 GLN HE22 . 18879 1 86 . 1 1 10 10 GLN N N 15 114.4 0.05 . 1 . . . A 68 GLN N . 18879 1 87 . 1 1 10 10 GLN NE2 N 15 110.9 0.1 . 1 . . . A 68 GLN NE2 . 18879 1 88 . 1 1 11 11 LEU H H 1 8.060 0.002 . 1 . . . A 69 LEU HN . 18879 1 89 . 1 1 11 11 LEU HA H 1 4.070 0.004 . 1 . . . A 69 LEU HA . 18879 1 90 . 1 1 11 11 LEU HB2 H 1 1.860 0.004 . 2 . . . A 69 LEU HB2 . 18879 1 91 . 1 1 11 11 LEU HB3 H 1 1.770 0.003 . 2 . . . A 69 LEU HB3 . 18879 1 92 . 1 1 11 11 LEU HG H 1 1.650 0.004 . 1 . . . A 69 LEU HG . 18879 1 93 . 1 1 11 11 LEU HD11 H 1 0.830 0.003 . 2 . . . A 69 LEU HD11 . 18879 1 94 . 1 1 11 11 LEU HD12 H 1 0.830 0.003 . 2 . . . A 69 LEU HD12 . 18879 1 95 . 1 1 11 11 LEU HD13 H 1 0.830 0.003 . 2 . . . A 69 LEU HD13 . 18879 1 96 . 1 1 11 11 LEU HD21 H 1 0.870 0.003 . 2 . . . A 69 LEU HD21 . 18879 1 97 . 1 1 11 11 LEU HD22 H 1 0.870 0.003 . 2 . . . A 69 LEU HD22 . 18879 1 98 . 1 1 11 11 LEU HD23 H 1 0.870 0.003 . 2 . . . A 69 LEU HD23 . 18879 1 99 . 1 1 11 11 LEU N N 15 119.1 0.1 . 1 . . . A 69 LEU N . 18879 1 100 . 1 1 12 12 VAL H H 1 8.328 0.002 . 1 . . . A 70 VAL HN . 18879 1 101 . 1 1 12 12 VAL HA H 1 3.535 0.005 . 1 . . . A 70 VAL HA . 18879 1 102 . 1 1 12 12 VAL HB H 1 2.140 0.004 . 1 . . . A 70 VAL HB . 18879 1 103 . 1 1 12 12 VAL HG11 H 1 1.020 0.003 . 2 . . . A 70 VAL HG11 . 18879 1 104 . 1 1 12 12 VAL HG12 H 1 1.020 0.003 . 2 . . . A 70 VAL HG12 . 18879 1 105 . 1 1 12 12 VAL HG13 H 1 1.020 0.003 . 2 . . . A 70 VAL HG13 . 18879 1 106 . 1 1 12 12 VAL HG21 H 1 0.930 0.003 . 2 . . . A 70 VAL HG21 . 18879 1 107 . 1 1 12 12 VAL HG22 H 1 0.930 0.003 . 2 . . . A 70 VAL HG22 . 18879 1 108 . 1 1 12 12 VAL HG23 H 1 0.930 0.003 . 2 . . . A 70 VAL HG23 . 18879 1 109 . 1 1 12 12 VAL N N 15 117.2 0.1 . 1 . . . A 70 VAL N . 18879 1 110 . 1 1 13 13 CYS H H 1 8.058 0.003 . 1 . . . A 71 CYS HN . 18879 1 111 . 1 1 13 13 CYS HA H 1 4.660 0.020 . 1 . . . A 71 CYS HA . 18879 1 112 . 1 1 13 13 CYS HB2 H 1 3.140 0.020 . 2 . . . A 71 CYS HB2 . 18879 1 113 . 1 1 13 13 CYS HB3 H 1 3.465 0.020 . 2 . . . A 71 CYS HB3 . 18879 1 114 . 1 1 13 13 CYS N N 15 116.8 0.1 . 1 . . . A 71 CYS N . 18879 1 115 . 1 1 14 14 ARG H H 1 7.771 0.002 . 1 . . . A 72 ARG HN . 18879 1 116 . 1 1 14 14 ARG HA H 1 4.370 0.005 . 1 . . . A 72 ARG HA . 18879 1 117 . 1 1 14 14 ARG HB2 H 1 1.940 0.005 . 2 . . . A 72 ARG HB2 . 18879 1 118 . 1 1 14 14 ARG HB3 H 1 1.940 0.005 . 2 . . . A 72 ARG HB3 . 18879 1 119 . 1 1 14 14 ARG HG2 H 1 1.760 0.005 . 2 . . . A 72 ARG HG2 . 18879 1 120 . 1 1 14 14 ARG HG3 H 1 1.760 0.005 . 2 . . . A 72 ARG HG3 . 18879 1 121 . 1 1 14 14 ARG HD2 H 1 3.193 0.002 . 2 . . . A 72 ARG HD2 . 18879 1 122 . 1 1 14 14 ARG HD3 H 1 3.193 0.002 . 2 . . . A 72 ARG HD3 . 18879 1 123 . 1 1 14 14 ARG HE H 1 7.582 0.002 . 1 . . . A 72 ARG HE . 18879 1 124 . 1 1 14 14 ARG N N 15 117.2 0.1 . 1 . . . A 72 ARG N . 18879 1 125 . 1 1 14 14 ARG NE N 15 84.3 0.1 . 1 . . . A 72 ARG NE . 18879 1 126 . 1 1 15 15 LEU H H 1 7.853 0.002 . 5 . . . A 73 LEU HN . 18879 1 127 . 1 1 15 15 LEU HA H 1 4.445 0.004 . 5 . . . A 73 LEU HA . 18879 1 128 . 1 1 15 15 LEU HB2 H 1 1.760 0.004 . 5 . . . A 73 LEU HB2 . 18879 1 129 . 1 1 15 15 LEU HB3 H 1 1.870 0.004 . 5 . . . A 73 LEU HB3 . 18879 1 130 . 1 1 15 15 LEU HG H 1 1.566 0.004 . 5 . . . A 73 LEU HG . 18879 1 131 . 1 1 15 15 LEU HD11 H 1 0.877 0.003 . 5 . . . A 73 LEU HD11 . 18879 1 132 . 1 1 15 15 LEU HD12 H 1 0.877 0.003 . 5 . . . A 73 LEU HD12 . 18879 1 133 . 1 1 15 15 LEU HD13 H 1 0.877 0.003 . 5 . . . A 73 LEU HD13 . 18879 1 134 . 1 1 15 15 LEU HD21 H 1 0.877 0.003 . 5 . . . A 73 LEU HD21 . 18879 1 135 . 1 1 15 15 LEU HD22 H 1 0.877 0.003 . 5 . . . A 73 LEU HD22 . 18879 1 136 . 1 1 15 15 LEU HD23 H 1 0.877 0.003 . 5 . . . A 73 LEU HD23 . 18879 1 137 . 1 1 15 15 LEU N N 15 115.3 0.1 . 5 . . . A 73 LEU N . 18879 1 138 . 1 1 16 16 VAL H H 1 7.706 0.002 . 1 . . . A 74 VAL HN . 18879 1 139 . 1 1 16 16 VAL HA H 1 4.350 0.004 . 1 . . . A 74 VAL HA . 18879 1 140 . 1 1 16 16 VAL HB H 1 2.335 0.004 . 1 . . . A 74 VAL HB . 18879 1 141 . 1 1 16 16 VAL HG11 H 1 1.055 0.002 . 2 . . . A 74 VAL HG11 . 18879 1 142 . 1 1 16 16 VAL HG12 H 1 1.055 0.002 . 2 . . . A 74 VAL HG12 . 18879 1 143 . 1 1 16 16 VAL HG13 H 1 1.055 0.002 . 2 . . . A 74 VAL HG13 . 18879 1 144 . 1 1 16 16 VAL HG21 H 1 0.936 0.003 . 2 . . . A 74 VAL HG21 . 18879 1 145 . 1 1 16 16 VAL HG22 H 1 0.936 0.003 . 2 . . . A 74 VAL HG22 . 18879 1 146 . 1 1 16 16 VAL HG23 H 1 0.936 0.003 . 2 . . . A 74 VAL HG23 . 18879 1 147 . 1 1 16 16 VAL N N 15 112.2 0.1 . 1 . . . A 74 VAL N . 18879 1 148 . 1 1 17 17 LEU H H 1 7.853 0.002 . 5 . . . A 75 LEU HN . 18879 1 149 . 1 1 17 17 LEU HA H 1 4.445 0.004 . 5 . . . A 75 LEU HA . 18879 1 150 . 1 1 17 17 LEU HB2 H 1 1.760 0.004 . 5 . . . A 75 LEU HB2 . 18879 1 151 . 1 1 17 17 LEU HB3 H 1 1.870 0.004 . 5 . . . A 75 LEU HB3 . 18879 1 152 . 1 1 17 17 LEU HG H 1 1.566 0.004 . 5 . . . A 75 LEU HG . 18879 1 153 . 1 1 17 17 LEU HD11 H 1 0.877 0.003 . 5 . . . A 75 LEU HD11 . 18879 1 154 . 1 1 17 17 LEU HD12 H 1 0.877 0.003 . 5 . . . A 75 LEU HD12 . 18879 1 155 . 1 1 17 17 LEU HD13 H 1 0.877 0.003 . 5 . . . A 75 LEU HD13 . 18879 1 156 . 1 1 17 17 LEU HD21 H 1 0.877 0.003 . 5 . . . A 75 LEU HD21 . 18879 1 157 . 1 1 17 17 LEU HD22 H 1 0.877 0.003 . 5 . . . A 75 LEU HD22 . 18879 1 158 . 1 1 17 17 LEU HD23 H 1 0.877 0.003 . 5 . . . A 75 LEU HD23 . 18879 1 159 . 1 1 17 17 LEU N N 15 115.3 0.1 . 5 . . . A 75 LEU N . 18879 1 160 . 1 1 18 18 ARG H H 1 7.913 0.002 . 1 . . . A 76 ARG HN . 18879 1 161 . 1 1 18 18 ARG HA H 1 4.475 0.004 . 1 . . . A 76 ARG HA . 18879 1 162 . 1 1 18 18 ARG HB2 H 1 1.710 0.005 . 2 . . . A 76 ARG HB2 . 18879 1 163 . 1 1 18 18 ARG HB3 H 1 1.850 0.002 . 2 . . . A 76 ARG HB3 . 18879 1 164 . 1 1 18 18 ARG HG2 H 1 1.560 0.005 . 2 . . . A 76 ARG HG2 . 18879 1 165 . 1 1 18 18 ARG HG3 H 1 1.630 0.004 . 2 . . . A 76 ARG HG3 . 18879 1 166 . 1 1 18 18 ARG HD2 H 1 3.178 0.002 . 2 . . . A 76 ARG HD2 . 18879 1 167 . 1 1 18 18 ARG HD3 H 1 3.178 0.002 . 2 . . . A 76 ARG HD3 . 18879 1 168 . 1 1 18 18 ARG HE H 1 7.313 0.002 . 1 . . . A 76 ARG HE . 18879 1 169 . 1 1 18 18 ARG N N 15 118.2 0.1 . 1 . . . A 76 ARG N . 18879 1 170 . 1 1 18 18 ARG NE N 15 85.0 0.1 . 1 . . . A 76 ARG NE . 18879 1 171 . 1 1 19 19 CYS H H 1 8.440 0.002 . 1 . . . A 77 CYS HN . 18879 1 172 . 1 1 19 19 CYS HA H 1 4.560 0.004 . 1 . . . A 77 CYS HA . 18879 1 173 . 1 1 19 19 CYS HB2 H 1 3.170 0.010 . 2 . . . A 77 CYS HB2 . 18879 1 174 . 1 1 19 19 CYS HB3 H 1 3.415 0.010 . 2 . . . A 77 CYS HB3 . 18879 1 175 . 1 1 19 19 CYS N N 15 120.6 0.1 . 1 . . . A 77 CYS N . 18879 1 176 . 1 1 20 20 SER H H 1 8.460 0.003 . 1 . . . A 78 SER HN . 18879 1 177 . 1 1 20 20 SER HA H 1 4.455 0.005 . 1 . . . A 78 SER HA . 18879 1 178 . 1 1 20 20 SER HB2 H 1 3.840 0.005 . 2 . . . A 78 SER HB2 . 18879 1 179 . 1 1 20 20 SER HB3 H 1 3.840 0.005 . 2 . . . A 78 SER HB3 . 18879 1 180 . 1 1 20 20 SER N N 15 116.3 0.1 . 1 . . . A 78 SER N . 18879 1 181 . 1 1 21 21 ILE H H 1 8.056 0.003 . 1 . . . A 79 ILE HN . 18879 1 182 . 1 1 21 21 ILE HA H 1 4.170 0.005 . 1 . . . A 79 ILE HA . 18879 1 183 . 1 1 21 21 ILE HB H 1 1.884 0.005 . 1 . . . A 79 ILE HB . 18879 1 184 . 1 1 21 21 ILE HG12 H 1 1.165 0.005 . 2 . . . A 79 ILE HG12 . 18879 1 185 . 1 1 21 21 ILE HG13 H 1 1.435 0.005 . 2 . . . A 79 ILE HG13 . 18879 1 186 . 1 1 21 21 ILE HG21 H 1 0.893 0.003 . 1 . . . A 79 ILE HG21 . 18879 1 187 . 1 1 21 21 ILE HG22 H 1 0.893 0.003 . 1 . . . A 79 ILE HG22 . 18879 1 188 . 1 1 21 21 ILE HG23 H 1 0.893 0.003 . 1 . . . A 79 ILE HG23 . 18879 1 189 . 1 1 21 21 ILE HD11 H 1 0.845 0.003 . 1 . . . A 79 ILE HD11 . 18879 1 190 . 1 1 21 21 ILE HD12 H 1 0.845 0.003 . 1 . . . A 79 ILE HD12 . 18879 1 191 . 1 1 21 21 ILE HD13 H 1 0.845 0.003 . 1 . . . A 79 ILE HD13 . 18879 1 192 . 1 1 21 21 ILE N N 15 121.0 0.1 . 1 . . . A 79 ILE N . 18879 1 193 . 1 1 22 22 ASP H H 1 8.353 0.002 . 1 . . . A 80 ASP HN . 18879 1 194 . 1 1 22 22 ASP HA H 1 4.720 0.005 . 1 . . . A 80 ASP HA . 18879 1 195 . 1 1 22 22 ASP HB2 H 1 2.780 0.006 . 2 . . . A 80 ASP HB2 . 18879 1 196 . 1 1 22 22 ASP HB3 H 1 2.930 0.006 . 2 . . . A 80 ASP HB3 . 18879 1 197 . 1 1 22 22 ASP N N 15 121.0 0.1 . 1 . . . A 80 ASP N . 18879 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 1 126 18879 1 1 148 18879 1 2 127 18879 1 2 149 18879 1 3 128 18879 1 3 129 18879 1 3 150 18879 1 3 151 18879 1 4 130 18879 1 4 152 18879 1 5 131 18879 1 5 132 18879 1 5 133 18879 1 5 134 18879 1 5 135 18879 1 5 136 18879 1 5 153 18879 1 5 154 18879 1 5 155 18879 1 5 156 18879 1 5 157 18879 1 5 158 18879 1 6 137 18879 1 6 159 18879 1 stop_ save_