################################### # 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 25096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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-1H TOCSY' . . . 25096 1 2 '2D 1H-1H NOESY' . . . 25096 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 MET HA H 1 4.111 0.02 . 1 . . . A 1 MET HA . 25096 1 2 . 1 1 1 1 MET HB2 H 1 2.137 0.02 . 2 . . . A 1 MET HB2 . 25096 1 3 . 1 1 1 1 MET HG2 H 1 2.560 0.02 . 2 . . . A 1 MET HG2 . 25096 1 4 . 1 1 2 2 LYS H H 1 7.980 0.02 . 1 . . . A 2 LYS H . 25096 1 5 . 1 1 2 2 LYS HA H 1 4.494 0.02 . 1 . . . A 2 LYS HA . 25096 1 6 . 1 1 2 2 LYS HB2 H 1 1.689 0.02 . 2 . . . A 2 LYS HB2 . 25096 1 7 . 1 1 2 2 LYS HB3 H 1 1.601 0.02 . 2 . . . A 2 LYS HB3 . 25096 1 8 . 1 1 2 2 LYS HG2 H 1 1.268 0.02 . 2 . . . A 2 LYS HG2 . 25096 1 9 . 1 1 2 2 LYS HD2 H 1 1.365 0.02 . 2 . . . A 2 LYS HD2 . 25096 1 10 . 1 1 2 2 LYS HE2 H 1 2.932 0.02 . 2 . . . A 2 LYS HE2 . 25096 1 11 . 1 1 3 3 VAL H H 1 8.270 0.02 . 1 . . . A 3 VAL H . 25096 1 12 . 1 1 3 3 VAL HA H 1 4.069 0.02 . 1 . . . A 3 VAL HA . 25096 1 13 . 1 1 3 3 VAL HB H 1 1.972 0.02 . 1 . . . A 3 VAL HB . 25096 1 14 . 1 1 3 3 VAL HG11 H 1 0.852 0.02 . 1 . . . A 3 VAL HG11 . 25096 1 15 . 1 1 3 3 VAL HG12 H 1 0.852 0.02 . 1 . . . A 3 VAL HG12 . 25096 1 16 . 1 1 3 3 VAL HG13 H 1 0.852 0.02 . 1 . . . A 3 VAL HG13 . 25096 1 17 . 1 1 3 3 VAL HG21 H 1 0.897 0.02 . 1 . . . A 3 VAL HG21 . 25096 1 18 . 1 1 3 3 VAL HG22 H 1 0.897 0.02 . 1 . . . A 3 VAL HG22 . 25096 1 19 . 1 1 3 3 VAL HG23 H 1 0.897 0.02 . 1 . . . A 3 VAL HG23 . 25096 1 20 . 1 1 4 4 HIS H H 1 8.622 0.02 . 1 . . . A 4 HIS H . 25096 1 21 . 1 1 4 4 HIS HA H 1 4.690 0.02 . 1 . . . A 4 HIS HA . 25096 1 22 . 1 1 4 4 HIS HB2 H 1 3.158 0.02 . 2 . . . A 4 HIS HB2 . 25096 1 23 . 1 1 4 4 HIS HB3 H 1 3.076 0.02 . 2 . . . A 4 HIS HB3 . 25096 1 24 . 1 1 4 4 HIS HD2 H 1 7.162 0.02 . 1 . . . A 4 HIS HD2 . 25096 1 25 . 1 1 4 4 HIS HE2 H 1 8.315 0.02 . 1 . . . A 4 HIS HE2 . 25096 1 26 . 1 1 5 5 ARG H H 1 8.451 0.02 . 1 . . . A 5 ARG H . 25096 1 27 . 1 1 5 5 ARG HA H 1 4.319 0.02 . 1 . . . A 5 ARG HA . 25096 1 28 . 1 1 5 5 ARG HB2 H 1 1.763 0.02 . 2 . . . A 5 ARG HB2 . 25096 1 29 . 1 1 5 5 ARG HB3 H 1 1.702 0.02 . 2 . . . A 5 ARG HB3 . 25096 1 30 . 1 1 5 5 ARG HG2 H 1 1.558 0.02 . 2 . . . A 5 ARG HG2 . 25096 1 31 . 1 1 5 5 ARG HD2 H 1 3.153 0.02 . 2 . . . A 5 ARG HD2 . 25096 1 32 . 1 1 5 5 ARG HE H 1 7.206 0.02 . 1 . . . A 5 ARG HE . 25096 1 33 . 1 1 6 6 MET H H 1 8.506 0.02 . 1 . . . A 6 MET H . 25096 1 34 . 1 1 6 6 MET HA H 1 4.741 0.02 . 1 . . . A 6 MET HA . 25096 1 35 . 1 1 6 6 MET HB2 H 1 2.009 0.02 . 2 . . . A 6 MET HB2 . 25096 1 36 . 1 1 6 6 MET HB3 H 1 1.916 0.02 . 2 . . . A 6 MET HB3 . 25096 1 37 . 1 1 6 6 MET HG2 H 1 2.581 0.02 . 2 . . . A 6 MET HG2 . 25096 1 38 . 1 1 6 6 MET HG3 H 1 2.522 0.02 . 2 . . . A 6 MET HG3 . 25096 1 39 . 1 1 7 7 PRO HA H 1 4.401 0.02 . 1 . . . A 7 PRO HA . 25096 1 40 . 1 1 7 7 PRO HB2 H 1 2.277 0.02 . 2 . . . A 7 PRO HB2 . 25096 1 41 . 1 1 7 7 PRO HB3 H 1 1.990 0.02 . 2 . . . A 7 PRO HB3 . 25096 1 42 . 1 1 7 7 PRO HG2 H 1 1.874 0.02 . 2 . . . A 7 PRO HG2 . 25096 1 43 . 1 1 7 7 PRO HD2 H 1 3.823 0.02 . 2 . . . A 7 PRO HD2 . 25096 1 44 . 1 1 7 7 PRO HD3 H 1 3.599 0.02 . 2 . . . A 7 PRO HD3 . 25096 1 45 . 1 1 8 8 LYS H H 1 8.396 0.02 . 1 . . . A 8 LYS H . 25096 1 46 . 1 1 8 8 LYS HA H 1 4.233 0.02 . 1 . . . A 8 LYS HA . 25096 1 47 . 1 1 8 8 LYS HB2 H 1 1.799 0.02 . 2 . . . A 8 LYS HB2 . 25096 1 48 . 1 1 8 8 LYS HB3 H 1 1.755 0.02 . 2 . . . A 8 LYS HB3 . 25096 1 49 . 1 1 8 8 LYS HG2 H 1 1.434 0.02 . 2 . . . A 8 LYS HG2 . 25096 1 50 . 1 1 8 8 LYS HD2 H 1 1.668 0.02 . 2 . . . A 8 LYS HD2 . 25096 1 51 . 1 1 8 8 LYS HE2 H 1 2.989 0.02 . 2 . . . A 8 LYS HE2 . 25096 1 52 . 1 1 8 8 LYS HE3 H 1 2.964 0.02 . 2 . . . A 8 LYS HE3 . 25096 1 53 . 1 1 9 9 GLY H H 1 8.417 0.02 . 1 . . . A 9 GLY H . 25096 1 54 . 1 1 9 9 GLY HA2 H 1 3.917 0.02 . 2 . . . A 9 GLY HA2 . 25096 1 55 . 1 1 10 10 VAL H H 1 7.860 0.02 . 1 . . . A 10 VAL H . 25096 1 56 . 1 1 10 10 VAL HA H 1 4.123 0.02 . 1 . . . A 10 VAL HA . 25096 1 57 . 1 1 10 10 VAL HB H 1 1.987 0.02 . 1 . . . A 10 VAL HB . 25096 1 58 . 1 1 10 10 VAL HG21 H 1 0.860 0.02 . 1 . . . A 10 VAL HG21 . 25096 1 59 . 1 1 10 10 VAL HG22 H 1 0.860 0.02 . 1 . . . A 10 VAL HG22 . 25096 1 60 . 1 1 10 10 VAL HG23 H 1 0.860 0.02 . 1 . . . A 10 VAL HG23 . 25096 1 61 . 1 1 11 11 VAL H H 1 8.273 0.02 . 1 . . . A 11 VAL H . 25096 1 62 . 1 1 11 11 VAL HA H 1 4.086 0.02 . 1 . . . A 11 VAL HA . 25096 1 63 . 1 1 11 11 VAL HB H 1 1.972 0.02 . 1 . . . A 11 VAL HB . 25096 1 64 . 1 1 11 11 VAL HG11 H 1 0.898 0.02 . 1 . . . A 11 VAL HG11 . 25096 1 65 . 1 1 11 11 VAL HG12 H 1 0.898 0.02 . 1 . . . A 11 VAL HG12 . 25096 1 66 . 1 1 11 11 VAL HG13 H 1 0.898 0.02 . 1 . . . A 11 VAL HG13 . 25096 1 67 . 1 1 11 11 VAL HG21 H 1 0.852 0.02 . 1 . . . A 11 VAL HG21 . 25096 1 68 . 1 1 11 11 VAL HG22 H 1 0.852 0.02 . 1 . . . A 11 VAL HG22 . 25096 1 69 . 1 1 11 11 VAL HG23 H 1 0.852 0.02 . 1 . . . A 11 VAL HG23 . 25096 1 70 . 1 1 12 12 LEU H H 1 8.341 0.02 . 1 . . . A 12 LEU H . 25096 1 71 . 1 1 12 12 LEU HA H 1 4.385 0.02 . 1 . . . A 12 LEU HA . 25096 1 72 . 1 1 12 12 LEU HB2 H 1 1.522 0.02 . 2 . . . A 12 LEU HB2 . 25096 1 73 . 1 1 12 12 LEU HG H 1 1.417 0.02 . 1 . . . A 12 LEU HG . 25096 1 74 . 1 1 12 12 LEU HD11 H 1 0.796 0.02 . 1 . . . A 12 LEU HD11 . 25096 1 75 . 1 1 12 12 LEU HD12 H 1 0.796 0.02 . 1 . . . A 12 LEU HD12 . 25096 1 76 . 1 1 12 12 LEU HD13 H 1 0.796 0.02 . 1 . . . A 12 LEU HD13 . 25096 1 77 . 1 1 12 12 LEU HD21 H 1 0.757 0.02 . 1 . . . A 12 LEU HD21 . 25096 1 78 . 1 1 12 12 LEU HD22 H 1 0.757 0.02 . 1 . . . A 12 LEU HD22 . 25096 1 79 . 1 1 12 12 LEU HD23 H 1 0.757 0.02 . 1 . . . A 12 LEU HD23 . 25096 1 80 . 1 1 13 13 VAL H H 1 8.102 0.02 . 1 . . . A 13 VAL H . 25096 1 81 . 1 1 13 13 VAL HA H 1 4.149 0.02 . 1 . . . A 13 VAL HA . 25096 1 82 . 1 1 13 13 VAL HB H 1 2.019 0.02 . 1 . . . A 13 VAL HB . 25096 1 83 . 1 1 13 13 VAL HG21 H 1 0.880 0.02 . 1 . . . A 13 VAL HG21 . 25096 1 84 . 1 1 13 13 VAL HG22 H 1 0.880 0.02 . 1 . . . A 13 VAL HG22 . 25096 1 85 . 1 1 13 13 VAL HG23 H 1 0.880 0.02 . 1 . . . A 13 VAL HG23 . 25096 1 86 . 1 1 14 14 GLY H H 1 8.418 0.02 . 1 . . . A 14 GLY H . 25096 1 87 . 1 1 14 14 GLY HA2 H 1 3.957 0.02 . 2 . . . A 14 GLY HA2 . 25096 1 88 . 1 1 15 15 LYS H H 1 8.308 0.02 . 1 . . . A 15 LYS H . 25096 1 89 . 1 1 15 15 LYS HA H 1 4.169 0.02 . 1 . . . A 15 LYS HA . 25096 1 90 . 1 1 15 15 LYS HB2 H 1 1.543 0.02 . 2 . . . A 15 LYS HB2 . 25096 1 91 . 1 1 15 15 LYS HB3 H 1 1.506 0.02 . 2 . . . A 15 LYS HB3 . 25096 1 92 . 1 1 15 15 LYS HG2 H 1 1.336 0.02 . 2 . . . A 15 LYS HG2 . 25096 1 93 . 1 1 15 15 LYS HD2 H 1 1.364 0.02 . 2 . . . A 15 LYS HD2 . 25096 1 94 . 1 1 15 15 LYS HE2 H 1 2.939 0.02 . 2 . . . A 15 LYS HE2 . 25096 1 95 . 1 1 16 16 ALA H H 1 8.374 0.02 . 1 . . . A 16 ALA H . 25096 1 96 . 1 1 16 16 ALA HA H 1 4.131 0.02 . 1 . . . A 16 ALA HA . 25096 1 97 . 1 1 16 16 ALA HB1 H 1 1.361 0.02 . 1 . . . A 16 ALA HB1 . 25096 1 98 . 1 1 16 16 ALA HB2 H 1 1.361 0.02 . 1 . . . A 16 ALA HB2 . 25096 1 99 . 1 1 16 16 ALA HB3 H 1 1.361 0.02 . 1 . . . A 16 ALA HB3 . 25096 1 100 . 1 1 17 17 TRP H H 1 7.811 0.02 . 1 . . . A 17 TRP H . 25096 1 101 . 1 1 17 17 TRP HA H 1 4.490 0.02 . 1 . . . A 17 TRP HA . 25096 1 102 . 1 1 17 17 TRP HB2 H 1 3.263 0.02 . 2 . . . A 17 TRP HB2 . 25096 1 103 . 1 1 17 17 TRP HB3 H 1 3.265 0.02 . 2 . . . A 17 TRP HB3 . 25096 1 104 . 1 1 17 17 TRP HD1 H 1 7.248 0.02 . 1 . . . A 17 TRP HD1 . 25096 1 105 . 1 1 17 17 TRP HE1 H 1 10.174 0.02 . 4 . . . A 17 TRP HE1 . 25096 1 106 . 1 1 17 17 TRP HE3 H 1 7.532 0.02 . 4 . . . A 17 TRP HE3 . 25096 1 107 . 1 1 17 17 TRP HZ2 H 1 7.471 0.02 . 4 . . . A 17 TRP HZ2 . 25096 1 108 . 1 1 17 17 TRP HZ3 H 1 7.124 0.02 . 4 . . . A 17 TRP HZ3 . 25096 1 109 . 1 1 17 17 TRP HH2 H 1 7.212 0.02 . 1 . . . A 17 TRP HH2 . 25096 1 110 . 1 1 18 18 GLU H H 1 7.810 0.02 . 1 . . . A 18 GLU H . 25096 1 111 . 1 1 18 18 GLU HA H 1 4.046 0.02 . 1 . . . A 18 GLU HA . 25096 1 112 . 1 1 18 18 GLU HB2 H 1 1.841 0.02 . 2 . . . A 18 GLU HB2 . 25096 1 113 . 1 1 18 18 GLU HB3 H 1 1.890 0.02 . 2 . . . A 18 GLU HB3 . 25096 1 114 . 1 1 18 18 GLU HG2 H 1 1.911 0.02 . 2 . . . A 18 GLU HG2 . 25096 1 115 . 1 1 18 18 GLU HG3 H 1 1.959 0.02 . 2 . . . A 18 GLU HG3 . 25096 1 116 . 1 1 19 19 ILE H H 1 7.907 0.02 . 1 . . . A 19 ILE H . 25096 1 117 . 1 1 19 19 ILE HA H 1 3.935 0.02 . 1 . . . A 19 ILE HA . 25096 1 118 . 1 1 19 19 ILE HB H 1 1.834 0.02 . 1 . . . A 19 ILE HB . 25096 1 119 . 1 1 19 19 ILE HG12 H 1 1.119 0.02 . 2 . . . A 19 ILE HG12 . 25096 1 120 . 1 1 19 19 ILE HG21 H 1 0.848 0.02 . 1 . . . A 19 ILE HG21 . 25096 1 121 . 1 1 19 19 ILE HG22 H 1 0.848 0.02 . 1 . . . A 19 ILE HG22 . 25096 1 122 . 1 1 19 19 ILE HG23 H 1 0.848 0.02 . 1 . . . A 19 ILE HG23 . 25096 1 123 . 1 1 19 19 ILE HD11 H 1 0.820 0.02 . 1 . . . A 19 ILE HD11 . 25096 1 124 . 1 1 19 19 ILE HD12 H 1 0.820 0.02 . 1 . . . A 19 ILE HD12 . 25096 1 125 . 1 1 19 19 ILE HD13 H 1 0.820 0.02 . 1 . . . A 19 ILE HD13 . 25096 1 126 . 1 1 20 20 ARG H H 1 8.041 0.02 . 1 . . . A 20 ARG H . 25096 1 127 . 1 1 20 20 ARG HA H 1 4.135 0.02 . 1 . . . A 20 ARG HA . 25096 1 128 . 1 1 20 20 ARG HB2 H 1 1.799 0.02 . 2 . . . A 20 ARG HB2 . 25096 1 129 . 1 1 20 20 ARG HB3 H 1 1.758 0.02 . 2 . . . A 20 ARG HB3 . 25096 1 130 . 1 1 20 20 ARG HG2 H 1 1.622 0.02 . 2 . . . A 20 ARG HG2 . 25096 1 131 . 1 1 20 20 ARG HG3 H 1 1.551 0.02 . 2 . . . A 20 ARG HG3 . 25096 1 132 . 1 1 20 20 ARG HD2 H 1 3.099 0.02 . 2 . . . A 20 ARG HD2 . 25096 1 133 . 1 1 20 20 ARG HE H 1 7.210 0.02 . 1 . . . A 20 ARG HE . 25096 1 134 . 1 1 21 21 ALA H H 1 8.045 0.02 . 1 . . . A 21 ALA H . 25096 1 135 . 1 1 21 21 ALA HA H 1 4.149 0.02 . 1 . . . A 21 ALA HA . 25096 1 136 . 1 1 21 21 ALA HB1 H 1 1.330 0.02 . 1 . . . A 21 ALA HB1 . 25096 1 137 . 1 1 21 21 ALA HB2 H 1 1.330 0.02 . 1 . . . A 21 ALA HB2 . 25096 1 138 . 1 1 21 21 ALA HB3 H 1 1.330 0.02 . 1 . . . A 21 ALA HB3 . 25096 1 139 . 1 1 22 22 LYS H H 1 8.114 0.02 . 1 . . . A 22 LYS H . 25096 1 140 . 1 1 22 22 LYS HA H 1 4.167 0.02 . 1 . . . A 22 LYS HA . 25096 1 141 . 1 1 22 22 LYS HB2 H 1 1.750 0.02 . 2 . . . A 22 LYS HB2 . 25096 1 142 . 1 1 22 22 LYS HB3 H 1 1.639 0.02 . 2 . . . A 22 LYS HB3 . 25096 1 143 . 1 1 22 22 LYS HG2 H 1 1.329 0.02 . 2 . . . A 22 LYS HG2 . 25096 1 144 . 1 1 22 22 LYS HD2 H 1 1.375 0.02 . 2 . . . A 22 LYS HD2 . 25096 1 145 . 1 1 22 22 LYS HE2 H 1 2.955 0.02 . 2 . . . A 22 LYS HE2 . 25096 1 146 . 1 1 23 23 LEU H H 1 8.005 0.02 . 1 . . . A 23 LEU H . 25096 1 147 . 1 1 23 23 LEU HA H 1 4.239 0.02 . 1 . . . A 23 LEU HA . 25096 1 148 . 1 1 23 23 LEU HB2 H 1 1.663 0.02 . 2 . . . A 23 LEU HB2 . 25096 1 149 . 1 1 23 23 LEU HB3 H 1 1.547 0.02 . 2 . . . A 23 LEU HB3 . 25096 1 150 . 1 1 23 23 LEU HG H 1 1.374 0.02 . 1 . . . A 23 LEU HG . 25096 1 151 . 1 1 23 23 LEU HD11 H 1 0.869 0.02 . 1 . . . A 23 LEU HD11 . 25096 1 152 . 1 1 23 23 LEU HD12 H 1 0.869 0.02 . 1 . . . A 23 LEU HD12 . 25096 1 153 . 1 1 23 23 LEU HD13 H 1 0.869 0.02 . 1 . . . A 23 LEU HD13 . 25096 1 154 . 1 1 23 23 LEU HD21 H 1 0.823 0.02 . 1 . . . A 23 LEU HD21 . 25096 1 155 . 1 1 23 23 LEU HD22 H 1 0.823 0.02 . 1 . . . A 23 LEU HD22 . 25096 1 156 . 1 1 23 23 LEU HD23 H 1 0.823 0.02 . 1 . . . A 23 LEU HD23 . 25096 1 157 . 1 1 24 24 LYS H H 1 8.010 0.02 . 1 . . . A 24 LYS H . 25096 1 158 . 1 1 24 24 LYS HA H 1 4.198 0.02 . 1 . . . A 24 LYS HA . 25096 1 159 . 1 1 24 24 LYS HB2 H 1 1.804 0.02 . 2 . . . A 24 LYS HB2 . 25096 1 160 . 1 1 24 24 LYS HB3 H 1 1.770 0.02 . 2 . . . A 24 LYS HB3 . 25096 1 161 . 1 1 24 24 LYS HG2 H 1 1.395 0.02 . 2 . . . A 24 LYS HG2 . 25096 1 162 . 1 1 24 24 LYS HD2 H 1 1.643 0.02 . 2 . . . A 24 LYS HD2 . 25096 1 163 . 1 1 24 24 LYS HE2 H 1 2.939 0.02 . 2 . . . A 24 LYS HE2 . 25096 1 164 . 1 1 25 25 GLU H H 1 8.104 0.02 . 1 . . . A 25 GLU H . 25096 1 165 . 1 1 25 25 GLU HA H 1 4.181 0.02 . 1 . . . A 25 GLU HA . 25096 1 166 . 1 1 25 25 GLU HB2 H 1 1.865 0.02 . 2 . . . A 25 GLU HB2 . 25096 1 167 . 1 1 25 25 GLU HB3 H 1 1.803 0.02 . 2 . . . A 25 GLU HB3 . 25096 1 168 . 1 1 25 25 GLU HG2 H 1 2.112 0.02 . 2 . . . A 25 GLU HG2 . 25096 1 169 . 1 1 26 26 TYR H H 1 8.086 0.02 . 1 . . . A 26 TYR H . 25096 1 170 . 1 1 26 26 TYR HA H 1 4.506 0.02 . 1 . . . A 26 TYR HA . 25096 1 171 . 1 1 26 26 TYR HB2 H 1 2.992 0.02 . 2 . . . A 26 TYR HB2 . 25096 1 172 . 1 1 26 26 TYR HB3 H 1 2.890 0.02 . 2 . . . A 26 TYR HB3 . 25096 1 173 . 1 1 26 26 TYR HD1 H 1 7.063 0.02 . 3 . . . A 26 TYR HD1 . 25096 1 174 . 1 1 26 26 TYR HE1 H 1 6.764 0.02 . 3 . . . A 26 TYR HE1 . 25096 1 175 . 1 1 27 27 GLY H H 1 8.264 0.02 . 1 . . . A 27 GLY H . 25096 1 176 . 1 1 27 27 GLY HA2 H 1 3.902 0.02 . 2 . . . A 27 GLY HA2 . 25096 1 177 . 1 1 27 27 GLY HA3 H 1 3.864 0.02 . 2 . . . A 27 GLY HA3 . 25096 1 178 . 1 1 28 28 ARG H H 1 8.080 0.02 . 1 . . . A 28 ARG H . 25096 1 179 . 1 1 28 28 ARG HA H 1 4.336 0.02 . 1 . . . A 28 ARG HA . 25096 1 180 . 1 1 28 28 ARG HB2 H 1 1.802 0.02 . 2 . . . A 28 ARG HB2 . 25096 1 181 . 1 1 28 28 ARG HB3 H 1 1.738 0.02 . 2 . . . A 28 ARG HB3 . 25096 1 182 . 1 1 28 28 ARG HG2 H 1 1.558 0.02 . 2 . . . A 28 ARG HG2 . 25096 1 183 . 1 1 28 28 ARG HD2 H 1 3.134 0.02 . 2 . . . A 28 ARG HD2 . 25096 1 184 . 1 1 28 28 ARG HE H 1 7.168 0.02 . 1 . . . A 28 ARG HE . 25096 1 185 . 1 1 29 29 THR H H 1 8.053 0.02 . 1 . . . A 29 THR H . 25096 1 186 . 1 1 29 29 THR HA H 1 4.265 0.02 . 1 . . . A 29 THR HA . 25096 1 187 . 1 1 29 29 THR HB H 1 4.132 0.02 . 1 . . . A 29 THR HB . 25096 1 188 . 1 1 29 29 THR HG21 H 1 1.102 0.02 . 1 . . . A 29 THR HG21 . 25096 1 189 . 1 1 29 29 THR HG22 H 1 1.102 0.02 . 1 . . . A 29 THR HG22 . 25096 1 190 . 1 1 29 29 THR HG23 H 1 1.102 0.02 . 1 . . . A 29 THR HG23 . 25096 1 191 . 1 1 30 30 PHE H H 1 8.154 0.02 . 1 . . . A 30 PHE H . 25096 1 192 . 1 1 30 30 PHE HA H 1 4.491 0.02 . 1 . . . A 30 PHE HA . 25096 1 193 . 1 1 30 30 PHE HB2 H 1 3.062 0.02 . 2 . . . A 30 PHE HB2 . 25096 1 194 . 1 1 30 30 PHE HB3 H 1 2.928 0.02 . 2 . . . A 30 PHE HB3 . 25096 1 195 . 1 1 30 30 PHE HD1 H 1 7.105 0.02 . 3 . . . A 30 PHE HD1 . 25096 1 196 . 1 1 30 30 PHE HE1 H 1 7.220 0.02 . 3 . . . A 30 PHE HE1 . 25096 1 197 . 1 1 31 31 GLN H H 1 8.157 0.02 . 1 . . . A 31 GLN H . 25096 1 198 . 1 1 31 31 GLN HA H 1 4.181 0.02 . 1 . . . A 31 GLN HA . 25096 1 199 . 1 1 31 31 GLN HB2 H 1 1.932 0.02 . 2 . . . A 31 GLN HB2 . 25096 1 200 . 1 1 31 31 GLN HB3 H 1 1.874 0.02 . 2 . . . A 31 GLN HB3 . 25096 1 201 . 1 1 31 31 GLN HG2 H 1 2.172 0.02 . 2 . . . A 31 GLN HG2 . 25096 1 202 . 1 1 31 31 GLN HG3 H 1 2.111 0.02 . 2 . . . A 31 GLN HG3 . 25096 1 203 . 1 1 31 31 GLN HE21 H 1 6.801 0.02 . 2 . . . A 31 GLN HE21 . 25096 1 204 . 1 1 31 31 GLN HE22 H 1 7.399 0.02 . 2 . . . A 31 GLN HE22 . 25096 1 205 . 1 1 32 32 TYR H H 1 8.146 0.02 . 1 . . . A 32 TYR H . 25096 1 206 . 1 1 32 32 TYR HA H 1 4.529 0.02 . 1 . . . A 32 TYR HA . 25096 1 207 . 1 1 32 32 TYR HB2 H 1 2.980 0.02 . 2 . . . A 32 TYR HB2 . 25096 1 208 . 1 1 32 32 TYR HB3 H 1 2.913 0.02 . 2 . . . A 32 TYR HB3 . 25096 1 209 . 1 1 32 32 TYR HD2 H 1 7.077 0.02 . 3 . . . A 32 TYR HD2 . 25096 1 210 . 1 1 32 32 TYR HE2 H 1 6.793 0.02 . 3 . . . A 32 TYR HE2 . 25096 1 211 . 1 1 33 33 VAL H H 1 7.885 0.02 . 1 . . . A 33 VAL H . 25096 1 212 . 1 1 33 33 VAL HA H 1 3.949 0.02 . 1 . . . A 33 VAL HA . 25096 1 213 . 1 1 33 33 VAL HB H 1 1.937 0.02 . 1 . . . A 33 VAL HB . 25096 1 214 . 1 1 33 33 VAL HG21 H 1 0.831 0.02 . 1 . . . A 33 VAL HG21 . 25096 1 215 . 1 1 33 33 VAL HG22 H 1 0.831 0.02 . 1 . . . A 33 VAL HG22 . 25096 1 216 . 1 1 33 33 VAL HG23 H 1 0.831 0.02 . 1 . . . A 33 VAL HG23 . 25096 1 217 . 1 1 34 34 LYS H H 1 8.189 0.02 . 1 . . . A 34 LYS H . 25096 1 218 . 1 1 34 34 LYS HA H 1 4.104 0.02 . 1 . . . A 34 LYS HA . 25096 1 219 . 1 1 34 34 LYS HB2 H 1 1.608 0.02 . 2 . . . A 34 LYS HB2 . 25096 1 220 . 1 1 34 34 LYS HG2 H 1 1.265 0.02 . 2 . . . A 34 LYS HG2 . 25096 1 221 . 1 1 34 34 LYS HE2 H 1 2.862 0.02 . 2 . . . A 34 LYS HE2 . 25096 1 222 . 1 1 34 34 LYS HE3 H 1 2.885 0.02 . 2 . . . A 34 LYS HE3 . 25096 1 223 . 1 1 35 35 ASP H H 1 8.168 0.02 . 1 . . . A 35 ASP H . 25096 1 224 . 1 1 35 35 ASP HA H 1 4.528 0.02 . 1 . . . A 35 ASP HA . 25096 1 225 . 1 1 35 35 ASP HB2 H 1 2.614 0.02 . 2 . . . A 35 ASP HB2 . 25096 1 226 . 1 1 36 36 TRP H H 1 7.922 0.02 . 1 . . . A 36 TRP H . 25096 1 227 . 1 1 36 36 TRP HA H 1 4.591 0.02 . 1 . . . A 36 TRP HA . 25096 1 228 . 1 1 36 36 TRP HB2 H 1 3.240 0.02 . 2 . . . A 36 TRP HB2 . 25096 1 229 . 1 1 36 36 TRP HB3 H 1 3.213 0.02 . 2 . . . A 36 TRP HB3 . 25096 1 230 . 1 1 36 36 TRP HD1 H 1 7.178 0.02 . 1 . . . A 36 TRP HD1 . 25096 1 231 . 1 1 36 36 TRP HE1 H 1 10.092 0.02 . 4 . . . A 36 TRP HE1 . 25096 1 232 . 1 1 36 36 TRP HE3 H 1 7.569 0.02 . 4 . . . A 36 TRP HE3 . 25096 1 233 . 1 1 36 36 TRP HZ2 H 1 7.455 0.02 . 4 . . . A 36 TRP HZ2 . 25096 1 234 . 1 1 36 36 TRP HZ3 H 1 7.110 0.02 . 4 . . . A 36 TRP HZ3 . 25096 1 235 . 1 1 36 36 TRP HH2 H 1 7.195 0.02 . 1 . . . A 36 TRP HH2 . 25096 1 236 . 1 1 37 37 ILE H H 1 7.779 0.02 . 1 . . . A 37 ILE H . 25096 1 237 . 1 1 37 37 ILE HA H 1 4.051 0.02 . 1 . . . A 37 ILE HA . 25096 1 238 . 1 1 37 37 ILE HB H 1 1.708 0.02 . 1 . . . A 37 ILE HB . 25096 1 239 . 1 1 37 37 ILE HG12 H 1 1.300 0.02 . 2 . . . A 37 ILE HG12 . 25096 1 240 . 1 1 37 37 ILE HG13 H 1 1.005 0.02 . 2 . . . A 37 ILE HG13 . 25096 1 241 . 1 1 37 37 ILE HG21 H 1 0.787 0.02 . 1 . . . A 37 ILE HG21 . 25096 1 242 . 1 1 37 37 ILE HG22 H 1 0.787 0.02 . 1 . . . A 37 ILE HG22 . 25096 1 243 . 1 1 37 37 ILE HG23 H 1 0.787 0.02 . 1 . . . A 37 ILE HG23 . 25096 1 244 . 1 1 37 37 ILE HD11 H 1 0.764 0.02 . 1 . . . A 37 ILE HD11 . 25096 1 245 . 1 1 37 37 ILE HD12 H 1 0.764 0.02 . 1 . . . A 37 ILE HD12 . 25096 1 246 . 1 1 37 37 ILE HD13 H 1 0.764 0.02 . 1 . . . A 37 ILE HD13 . 25096 1 247 . 1 1 38 38 SER H H 1 8.130 0.02 . 1 . . . A 38 SER H . 25096 1 248 . 1 1 38 38 SER HA H 1 4.315 0.02 . 1 . . . A 38 SER HA . 25096 1 249 . 1 1 38 38 SER HB2 H 1 3.770 0.02 . 2 . . . A 38 SER HB2 . 25096 1 250 . 1 1 39 39 LYS H H 1 8.151 0.02 . 1 . . . A 39 LYS H . 25096 1 251 . 1 1 39 39 LYS HA H 1 4.563 0.02 . 1 . . . A 39 LYS HA . 25096 1 252 . 1 1 39 39 LYS HB2 H 1 1.807 0.02 . 2 . . . A 39 LYS HB2 . 25096 1 253 . 1 1 39 39 LYS HB3 H 1 1.687 0.02 . 2 . . . A 39 LYS HB3 . 25096 1 254 . 1 1 39 39 LYS HG2 H 1 1.417 0.02 . 2 . . . A 39 LYS HG2 . 25096 1 255 . 1 1 39 39 LYS HD2 H 1 1.653 0.02 . 2 . . . A 39 LYS HD2 . 25096 1 256 . 1 1 39 39 LYS HE2 H 1 2.963 0.02 . 2 . . . A 39 LYS HE2 . 25096 1 257 . 1 1 39 39 LYS HE3 H 1 2.938 0.02 . 2 . . . A 39 LYS HE3 . 25096 1 258 . 1 1 40 40 PRO HA H 1 4.199 0.02 . 1 . . . A 40 PRO HA . 25096 1 259 . 1 1 40 40 PRO HB2 H 1 2.180 0.02 . 2 . . . A 40 PRO HB2 . 25096 1 260 . 1 1 40 40 PRO HB3 H 1 1.931 0.02 . 2 . . . A 40 PRO HB3 . 25096 1 261 . 1 1 40 40 PRO HG2 H 1 1.878 0.02 . 2 . . . A 40 PRO HG2 . 25096 1 262 . 1 1 40 40 PRO HD2 H 1 3.695 0.02 . 2 . . . A 40 PRO HD2 . 25096 1 263 . 1 1 40 40 PRO HD3 H 1 3.578 0.02 . 2 . . . A 40 PRO HD3 . 25096 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 1 105 25096 1 1 106 25096 1 1 107 25096 1 1 108 25096 1 2 231 25096 1 2 232 25096 1 2 233 25096 1 2 234 25096 1 stop_ save_