################################### # 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 16745 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _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 3 '2D 1H-1H NOESY' . . . 16745 1 7 '2D 1H-13C HSQC' . . . 16745 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 16745 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 SER HA H 1 4.373 0.02 . 1 . . . . 1 SER HA . 16745 1 2 . 1 1 1 1 SER HB2 H 1 3.974 0.02 . 1 . . . . 1 SER HB2 . 16745 1 3 . 1 1 1 1 SER HB3 H 1 3.974 0.02 . 1 . . . . 1 SER HB3 . 16745 1 4 . 1 1 1 1 SER CA C 13 57.541 0.3 . 1 . . . . 1 SER CA . 16745 1 5 . 1 1 1 1 SER CB C 13 63.923 0.3 . 1 . . . . 1 SER CB . 16745 1 6 . 1 1 2 2 GLY H H 1 9.397 0.02 . 1 . . . . 2 GLY H . 16745 1 7 . 1 1 2 2 GLY HA2 H 1 4.740 0.02 . 1 . . . . 2 GLY HA2 . 16745 1 8 . 1 1 2 2 GLY HA3 H 1 3.577 0.02 . 1 . . . . 2 GLY HA3 . 16745 1 9 . 1 1 2 2 GLY CA C 13 44.925 0.3 . 1 . . . . 2 GLY CA . 16745 1 10 . 1 1 3 3 PRO HA H 1 4.425 0.02 . 1 . . . . 3 PRO HA . 16745 1 11 . 1 1 3 3 PRO HB2 H 1 1.985 0.02 . 1 . . . . 3 PRO HB2 . 16745 1 12 . 1 1 3 3 PRO HB3 H 1 2.430 0.02 . 1 . . . . 3 PRO HB3 . 16745 1 13 . 1 1 3 3 PRO HD2 H 1 3.897 0.02 . 2 . . . . 3 PRO HD2 . 16745 1 14 . 1 1 3 3 PRO HD3 H 1 3.489 0.02 . 2 . . . . 3 PRO HD3 . 16745 1 15 . 1 1 3 3 PRO HG2 H 1 2.160 0.02 . 1 . . . . 3 PRO HG2 . 16745 1 16 . 1 1 3 3 PRO HG3 H 1 2.160 0.02 . 1 . . . . 3 PRO HG3 . 16745 1 17 . 1 1 3 3 PRO CA C 13 64.699 0.3 . 1 . . . . 3 PRO CA . 16745 1 18 . 1 1 3 3 PRO CB C 13 31.803 0.3 . 1 . . . . 3 PRO CB . 16745 1 19 . 1 1 3 3 PRO CD C 13 49.866 0.3 . 1 . . . . 3 PRO CD . 16745 1 20 . 1 1 3 3 PRO CG C 13 27.160 0.3 . 1 . . . . 3 PRO CG . 16745 1 21 . 1 1 4 4 ASN H H 1 8.525 0.02 . 1 . . . . 4 ASN H . 16745 1 22 . 1 1 4 4 ASN HA H 1 5.070 0.02 . 1 . . . . 4 ASN HA . 16745 1 23 . 1 1 4 4 ASN HB2 H 1 2.402 0.02 . 1 . . . . 4 ASN HB2 . 16745 1 24 . 1 1 4 4 ASN HB3 H 1 3.076 0.02 . 1 . . . . 4 ASN HB3 . 16745 1 25 . 1 1 4 4 ASN HD21 H 1 7.568 0.02 . 1 . . . . 4 ASN HD21 . 16745 1 26 . 1 1 4 4 ASN HD22 H 1 6.893 0.02 . 1 . . . . 4 ASN HD22 . 16745 1 27 . 1 1 4 4 ASN CA C 13 51.937 0.3 . 1 . . . . 4 ASN CA . 16745 1 28 . 1 1 4 4 ASN CB C 13 38.996 0.3 . 1 . . . . 4 ASN CB . 16745 1 29 . 1 1 5 5 GLY H H 1 7.773 0.02 . 1 . . . . 5 GLY H . 16745 1 30 . 1 1 5 5 GLY HA2 H 1 3.563 0.02 . 1 . . . . 5 GLY HA2 . 16745 1 31 . 1 1 5 5 GLY HA3 H 1 4.460 0.02 . 1 . . . . 5 GLY HA3 . 16745 1 32 . 1 1 5 5 GLY CA C 13 45.288 0.3 . 1 . . . . 5 GLY CA . 16745 1 33 . 1 1 6 6 GLN H H 1 8.697 0.02 . 1 . . . . 6 GLN H . 16745 1 34 . 1 1 6 6 GLN HA H 1 3.803 0.02 . 1 . . . . 6 GLN HA . 16745 1 35 . 1 1 6 6 GLN HB2 H 1 0.155 0.02 . 1 . . . . 6 GLN HB2 . 16745 1 36 . 1 1 6 6 GLN HB3 H 1 0.652 0.02 . 1 . . . . 6 GLN HB3 . 16745 1 37 . 1 1 6 6 GLN HE21 H 1 7.352 0.02 . 1 . . . . 6 GLN HE21 . 16745 1 38 . 1 1 6 6 GLN HE22 H 1 6.939 0.02 . 1 . . . . 6 GLN HE22 . 16745 1 39 . 1 1 6 6 GLN HG2 H 1 1.645 0.02 . 1 . . . . 6 GLN HG2 . 16745 1 40 . 1 1 6 6 GLN HG3 H 1 1.594 0.02 . 1 . . . . 6 GLN HG3 . 16745 1 41 . 1 1 6 6 GLN CA C 13 56.490 0.3 . 1 . . . . 6 GLN CA . 16745 1 42 . 1 1 6 6 GLN CB C 13 27.592 0.3 . 1 . . . . 6 GLN CB . 16745 1 43 . 1 1 6 6 GLN CG C 13 33.366 0.3 . 1 . . . . 6 GLN CG . 16745 1 44 . 1 1 7 7 CYS H H 1 8.138 0.02 . 1 . . . . 7 CYS H . 16745 1 45 . 1 1 7 7 CYS HA H 1 5.152 0.02 . 1 . . . . 7 CYS HA . 16745 1 46 . 1 1 7 7 CYS HB2 H 1 3.150 0.02 . 1 . . . . 7 CYS HB2 . 16745 1 47 . 1 1 7 7 CYS HB3 H 1 3.150 0.02 . 1 . . . . 7 CYS HB3 . 16745 1 48 . 1 1 7 7 CYS CA C 13 54.232 0.3 . 1 . . . . 7 CYS CA . 16745 1 49 . 1 1 7 7 CYS CB C 13 47.876 0.3 . 1 . . . . 7 CYS CB . 16745 1 50 . 1 1 8 8 GLY H H 1 8.166 0.02 . 1 . . . . 8 GLY H . 16745 1 51 . 1 1 8 8 GLY HA2 H 1 3.883 0.02 . 1 . . . . 8 GLY HA2 . 16745 1 52 . 1 1 8 8 GLY HA3 H 1 4.696 0.02 . 1 . . . . 8 GLY HA3 . 16745 1 53 . 1 1 8 8 GLY CA C 13 43.477 0.3 . 1 . . . . 8 GLY CA . 16745 1 54 . 1 1 9 9 PRO HA H 1 4.267 0.02 . 1 . . . . 9 PRO HA . 16745 1 55 . 1 1 9 9 PRO HB2 H 1 1.920 0.02 . 1 . . . . 9 PRO HB2 . 16745 1 56 . 1 1 9 9 PRO HB3 H 1 2.308 0.02 . 1 . . . . 9 PRO HB3 . 16745 1 57 . 1 1 9 9 PRO HD2 H 1 3.717 0.02 . 1 . . . . 9 PRO HD2 . 16745 1 58 . 1 1 9 9 PRO HD3 H 1 3.717 0.02 . 1 . . . . 9 PRO HD3 . 16745 1 59 . 1 1 9 9 PRO HG2 H 1 2.032 0.02 . 1 . . . . 9 PRO HG2 . 16745 1 60 . 1 1 9 9 PRO HG3 H 1 2.207 0.02 . 1 . . . . 9 PRO HG3 . 16745 1 61 . 1 1 9 9 PRO CA C 13 64.673 0.3 . 1 . . . . 9 PRO CA . 16745 1 62 . 1 1 9 9 PRO CB C 13 31.292 0.3 . 1 . . . . 9 PRO CB . 16745 1 63 . 1 1 9 9 PRO CD C 13 49.381 0.3 . 1 . . . . 9 PRO CD . 16745 1 64 . 1 1 9 9 PRO CG C 13 27.450 0.3 . 1 . . . . 9 PRO CG . 16745 1 65 . 1 1 10 10 GLY H H 1 8.731 0.02 . 1 . . . . 10 GLY H . 16745 1 66 . 1 1 10 10 GLY HA2 H 1 3.877 0.02 . 2 . . . . 10 GLY HA2 . 16745 1 67 . 1 1 10 10 GLY HA3 H 1 3.465 0.02 . 2 . . . . 10 GLY HA3 . 16745 1 68 . 1 1 10 10 GLY CA C 13 45.218 0.3 . 1 . . . . 10 GLY CA . 16745 1 69 . 1 1 11 11 TRP H H 1 7.975 0.02 . 1 . . . . 11 TRP H . 16745 1 70 . 1 1 11 11 TRP HA H 1 4.813 0.02 . 1 . . . . 11 TRP HA . 16745 1 71 . 1 1 11 11 TRP HB2 H 1 2.718 0.02 . 1 . . . . 11 TRP HB2 . 16745 1 72 . 1 1 11 11 TRP HB3 H 1 3.156 0.02 . 1 . . . . 11 TRP HB3 . 16745 1 73 . 1 1 11 11 TRP HD1 H 1 6.725 0.02 . 1 . . . . 11 TRP HD1 . 16745 1 74 . 1 1 11 11 TRP HE1 H 1 10.017 0.02 . 1 . . . . 11 TRP HE1 . 16745 1 75 . 1 1 11 11 TRP HE3 H 1 7.575 0.02 . 1 . . . . 11 TRP HE3 . 16745 1 76 . 1 1 11 11 TRP HH2 H 1 7.254 0.02 . 1 . . . . 11 TRP HH2 . 16745 1 77 . 1 1 11 11 TRP HZ2 H 1 7.499 0.02 . 1 . . . . 11 TRP HZ2 . 16745 1 78 . 1 1 11 11 TRP HZ3 H 1 7.200 0.02 . 1 . . . . 11 TRP HZ3 . 16745 1 79 . 1 1 11 11 TRP CB C 13 32.761 0.3 . 1 . . . . 11 TRP CB . 16745 1 80 . 1 1 11 11 TRP CD1 C 13 127.719 0.3 . 1 . . . . 11 TRP CD1 . 16745 1 81 . 1 1 11 11 TRP CE3 C 13 120.259 0.3 . 1 . . . . 11 TRP CE3 . 16745 1 82 . 1 1 11 11 TRP CH2 C 13 125.493 3 . 1 . . . . 11 TRP CH2 . 16745 1 83 . 1 1 11 11 TRP CZ2 C 13 114.745 0.3 . 1 . . . . 11 TRP CZ2 . 16745 1 84 . 1 1 11 11 TRP CZ3 C 13 122.679 3 . 1 . . . . 11 TRP CZ3 . 16745 1 85 . 1 1 12 12 GLY H H 1 8.260 0.02 . 1 . . . . 12 GLY H . 16745 1 86 . 1 1 12 12 GLY HA2 H 1 3.893 0.02 . 1 . . . . 12 GLY HA2 . 16745 1 87 . 1 1 12 12 GLY HA3 H 1 4.481 0.02 . 1 . . . . 12 GLY HA3 . 16745 1 88 . 1 1 12 12 GLY CA C 13 43.976 0.3 . 1 . . . . 12 GLY CA . 16745 1 89 . 1 1 13 13 GLY H H 1 8.200 0.02 . 1 . . . . 13 GLY H . 16745 1 90 . 1 1 13 13 GLY HA2 H 1 4.481 0.02 . 2 . . . . 13 GLY HA2 . 16745 1 91 . 1 1 13 13 GLY HA3 H 1 3.853 0.02 . 2 . . . . 13 GLY HA3 . 16745 1 92 . 1 1 13 13 GLY CA C 13 43.960 0.3 . 1 . . . . 13 GLY CA . 16745 1 93 . 1 1 14 14 CYS H H 1 8.764 0.02 . 1 . . . . 14 CYS H . 16745 1 94 . 1 1 14 14 CYS HA H 1 4.787 0.02 . 1 . . . . 14 CYS HA . 16745 1 95 . 1 1 14 14 CYS HB2 H 1 2.524 0.02 . 1 . . . . 14 CYS HB2 . 16745 1 96 . 1 1 14 14 CYS HB3 H 1 2.987 0.02 . 1 . . . . 14 CYS HB3 . 16745 1 97 . 1 1 14 14 CYS CA C 13 54.411 3 . 1 . . . . 14 CYS CA . 16745 1 98 . 1 1 14 14 CYS CB C 13 41.302 0.3 . 1 . . . . 14 CYS CB . 16745 1 99 . 1 1 15 15 ARG H H 1 8.730 0.02 . 1 . . . . 15 ARG H . 16745 1 100 . 1 1 15 15 ARG HA H 1 4.464 0.02 . 1 . . . . 15 ARG HA . 16745 1 101 . 1 1 15 15 ARG HB2 H 1 1.876 0.02 . 2 . . . . 15 ARG HB2 . 16745 1 102 . 1 1 15 15 ARG HB3 H 1 1.821 0.02 . 2 . . . . 15 ARG HB3 . 16745 1 103 . 1 1 15 15 ARG HD2 H 1 3.214 0.02 . 1 . . . . 15 ARG HD2 . 16745 1 104 . 1 1 15 15 ARG HD3 H 1 3.214 0.02 . 1 . . . . 15 ARG HD3 . 16745 1 105 . 1 1 15 15 ARG HE H 1 7.201 0.02 . 1 . . . . 15 ARG HE . 16745 1 106 . 1 1 15 15 ARG HG2 H 1 1.683 0.02 . 1 . . . . 15 ARG HG2 . 16745 1 107 . 1 1 15 15 ARG HG3 H 1 1.683 0.02 . 1 . . . . 15 ARG HG3 . 16745 1 108 . 1 1 15 15 ARG CA C 13 55.621 0.3 . 1 . . . . 15 ARG CA . 16745 1 109 . 1 1 15 15 ARG CB C 13 31.119 0.3 . 1 . . . . 15 ARG CB . 16745 1 110 . 1 1 15 15 ARG CD C 13 43.277 0.3 . 1 . . . . 15 ARG CD . 16745 1 111 . 1 1 15 15 ARG CG C 13 26.842 0.3 . 1 . . . . 15 ARG CG . 16745 1 112 . 1 1 16 16 GLY H H 1 8.545 0.02 . 1 . . . . 16 GLY H . 16745 1 113 . 1 1 16 16 GLY HA2 H 1 3.887 0.02 . 2 . . . . 16 GLY HA2 . 16745 1 114 . 1 1 16 16 GLY HA3 H 1 3.815 0.02 . 2 . . . . 16 GLY HA3 . 16745 1 115 . 1 1 16 16 GLY CA C 13 46.852 0.3 . 1 . . . . 16 GLY CA . 16745 1 116 . 1 1 17 17 GLY H H 1 8.683 0.02 . 1 . . . . 17 GLY H . 16745 1 117 . 1 1 17 17 GLY HA2 H 1 4.206 0.02 . 2 . . . . 17 GLY HA2 . 16745 1 118 . 1 1 17 17 GLY HA3 H 1 3.700 0.02 . 2 . . . . 17 GLY HA3 . 16745 1 119 . 1 1 17 17 GLY CA C 13 44.882 0.3 . 1 . . . . 17 GLY CA . 16745 1 120 . 1 1 18 18 LEU H H 1 7.503 0.02 . 1 . . . . 18 LEU H . 16745 1 121 . 1 1 18 18 LEU HA H 1 4.504 0.02 . 1 . . . . 18 LEU HA . 16745 1 122 . 1 1 18 18 LEU HB2 H 1 1.858 0.02 . 1 . . . . 18 LEU HB2 . 16745 1 123 . 1 1 18 18 LEU HB3 H 1 1.374 0.02 . 1 . . . . 18 LEU HB3 . 16745 1 124 . 1 1 18 18 LEU HD11 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1 125 . 1 1 18 18 LEU HD12 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1 126 . 1 1 18 18 LEU HD13 H 1 0.790 0.02 . 1 . . . . 18 LEU HD1 . 16745 1 127 . 1 1 18 18 LEU HD21 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1 128 . 1 1 18 18 LEU HD22 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1 129 . 1 1 18 18 LEU HD23 H 1 0.650 0.02 . 1 . . . . 18 LEU HD2 . 16745 1 130 . 1 1 18 18 LEU HG H 1 1.559 0.02 . 1 . . . . 18 LEU HG . 16745 1 131 . 1 1 18 18 LEU CA C 13 54.214 0.3 . 1 . . . . 18 LEU CA . 16745 1 132 . 1 1 18 18 LEU CB C 13 42.959 0.3 . 1 . . . . 18 LEU CB . 16745 1 133 . 1 1 18 18 LEU CD1 C 13 25.341 0.3 . 1 . . . . 18 LEU CD1 . 16745 1 134 . 1 1 18 18 LEU CD2 C 13 22.610 0.3 . 1 . . . . 18 LEU CD2 . 16745 1 135 . 1 1 18 18 LEU CG C 13 27.498 0.3 . 1 . . . . 18 LEU CG . 16745 1 136 . 1 1 19 19 CYS H H 1 9.208 0.02 . 1 . . . . 19 CYS H . 16745 1 137 . 1 1 19 19 CYS HA H 1 4.591 0.02 . 1 . . . . 19 CYS HA . 16745 1 138 . 1 1 19 19 CYS HB2 H 1 2.588 0.02 . 1 . . . . 19 CYS HB2 . 16745 1 139 . 1 1 19 19 CYS HB3 H 1 3.833 0.02 . 1 . . . . 19 CYS HB3 . 16745 1 140 . 1 1 19 19 CYS CA C 13 54.112 0.3 . 1 . . . . 19 CYS CA . 16745 1 141 . 1 1 19 19 CYS CB C 13 50.732 0.3 . 1 . . . . 19 CYS CB . 16745 1 142 . 1 1 20 20 CYS H H 1 8.870 0.02 . 1 . . . . 20 CYS H . 16745 1 143 . 1 1 20 20 CYS HA H 1 4.966 0.02 . 1 . . . . 20 CYS HA . 16745 1 144 . 1 1 20 20 CYS HB2 H 1 3.066 0.02 . 1 . . . . 20 CYS HB2 . 16745 1 145 . 1 1 20 20 CYS HB3 H 1 2.994 0.02 . 1 . . . . 20 CYS HB3 . 16745 1 146 . 1 1 20 20 CYS CA C 13 54.837 0.3 . 1 . . . . 20 CYS CA . 16745 1 147 . 1 1 20 20 CYS CB C 13 39.957 0.3 . 1 . . . . 20 CYS CB . 16745 1 148 . 1 1 21 21 SER H H 1 9.459 0.02 . 1 . . . . 21 SER H . 16745 1 149 . 1 1 21 21 SER HA H 1 4.924 0.02 . 1 . . . . 21 SER HA . 16745 1 150 . 1 1 21 21 SER HB2 H 1 4.400 0.02 . 1 . . . . 21 SER HB2 . 16745 1 151 . 1 1 21 21 SER HB3 H 1 4.455 0.02 . 1 . . . . 21 SER HB3 . 16745 1 152 . 1 1 21 21 SER HG H 1 5.970 0.02 . 1 . . . . 21 SER HG . 16745 1 153 . 1 1 21 21 SER CA C 13 57.586 2 . 1 . . . . 21 SER CA . 16745 1 154 . 1 1 21 21 SER CB C 13 66.502 0.3 . 1 . . . . 21 SER CB . 16745 1 155 . 1 1 22 22 GLN H H 1 9.247 0.02 . 1 . . . . 22 GLN H . 16745 1 156 . 1 1 22 22 GLN HA H 1 4.138 0.02 . 1 . . . . 22 GLN HA . 16745 1 157 . 1 1 22 22 GLN HB2 H 1 1.928 0.02 . 2 . . . . 22 GLN HB2 . 16745 1 158 . 1 1 22 22 GLN HB3 H 1 1.790 0.02 . 2 . . . . 22 GLN HB3 . 16745 1 159 . 1 1 22 22 GLN HE21 H 1 7.325 0.02 . 1 . . . . 22 GLN HE21 . 16745 1 160 . 1 1 22 22 GLN HE22 H 1 6.823 0.02 . 1 . . . . 22 GLN HE22 . 16745 1 161 . 1 1 22 22 GLN HG2 H 1 1.928 0.02 . 2 . . . . 22 GLN HG2 . 16745 1 162 . 1 1 22 22 GLN HG3 H 1 1.619 0.02 . 2 . . . . 22 GLN HG3 . 16745 1 163 . 1 1 22 22 GLN CA C 13 57.528 0.3 . 5 . . . . 22 GLN CA . 16745 1 164 . 1 1 22 22 GLN CB C 13 28.104 0.3 . 1 . . . . 22 GLN CB . 16745 1 165 . 1 1 22 22 GLN CG C 13 32.836 0.3 . 1 . . . . 22 GLN CG . 16745 1 166 . 1 1 23 23 TYR H H 1 7.525 0.02 . 1 . . . . 23 TYR H . 16745 1 167 . 1 1 23 23 TYR HA H 1 4.739 0.02 . 1 . . . . 23 TYR HA . 16745 1 168 . 1 1 23 23 TYR HB2 H 1 2.817 0.02 . 1 . . . . 23 TYR HB2 . 16745 1 169 . 1 1 23 23 TYR HB3 H 1 3.545 0.02 . 1 . . . . 23 TYR HB3 . 16745 1 170 . 1 1 23 23 TYR HD1 H 1 7.199 0.02 . 1 . . . . 23 TYR HD1 . 16745 1 171 . 1 1 23 23 TYR HD2 H 1 7.199 0.02 . 1 . . . . 23 TYR HD2 . 16745 1 172 . 1 1 23 23 TYR HE1 H 1 6.866 0.02 . 1 . . . . 23 TYR HE1 . 16745 1 173 . 1 1 23 23 TYR HE2 H 1 6.866 0.02 . 1 . . . . 23 TYR HE2 . 16745 1 174 . 1 1 23 23 TYR CB C 13 38.059 0.3 . 1 . . . . 23 TYR CB . 16745 1 175 . 1 1 23 23 TYR CD1 C 13 132.851 0.3 . 1 . . . . 23 TYR CD1 . 16745 1 176 . 1 1 23 23 TYR CD2 C 13 132.851 0.3 . 1 . . . . 23 TYR CD2 . 16745 1 177 . 1 1 23 23 TYR CE1 C 13 118.314 0.3 . 1 . . . . 23 TYR CE1 . 16745 1 178 . 1 1 23 23 TYR CE2 C 13 118.314 0.3 . 1 . . . . 23 TYR CE2 . 16745 1 179 . 1 1 24 24 GLY H H 1 7.971 0.02 . 1 . . . . 24 GLY H . 16745 1 180 . 1 1 24 24 GLY HA2 H 1 3.703 0.02 . 1 . . . . 24 GLY HA2 . 16745 1 181 . 1 1 24 24 GLY HA3 H 1 4.060 0.02 . 1 . . . . 24 GLY HA3 . 16745 1 182 . 1 1 24 24 GLY CA C 13 46.852 0.3 . 1 . . . . 24 GLY CA . 16745 1 183 . 1 1 25 25 TYR H H 1 7.471 0.02 . 1 . . . . 25 TYR H . 16745 1 184 . 1 1 25 25 TYR HA H 1 5.173 0.02 . 1 . . . . 25 TYR HA . 16745 1 185 . 1 1 25 25 TYR HB2 H 1 2.771 0.02 . 1 . . . . 25 TYR HB2 . 16745 1 186 . 1 1 25 25 TYR HB3 H 1 3.195 0.02 . 1 . . . . 25 TYR HB3 . 16745 1 187 . 1 1 25 25 TYR HD1 H 1 6.951 0.02 . 1 . . . . 25 TYR HD1 . 16745 1 188 . 1 1 25 25 TYR HD2 H 1 6.951 0.02 . 1 . . . . 25 TYR HD2 . 16745 1 189 . 1 1 25 25 TYR HE1 H 1 6.661 0.02 . 1 . . . . 25 TYR HE1 . 16745 1 190 . 1 1 25 25 TYR HE2 H 1 6.661 0.02 . 1 . . . . 25 TYR HE2 . 16745 1 191 . 1 1 25 25 TYR CA C 13 57.577 0.3 . 1 . . . . 25 TYR CA . 16745 1 192 . 1 1 25 25 TYR CB C 13 43.132 0.3 . 1 . . . . 25 TYR CB . 16745 1 193 . 1 1 25 25 TYR CD1 C 13 133.184 0.3 . 1 . . . . 25 TYR CD1 . 16745 1 194 . 1 1 25 25 TYR CD2 C 13 133.184 0.3 . 1 . . . . 25 TYR CD2 . 16745 1 195 . 1 1 25 25 TYR CE1 C 13 117.897 0.3 . 1 . . . . 25 TYR CE1 . 16745 1 196 . 1 1 25 25 TYR CE2 C 13 117.897 0.3 . 1 . . . . 25 TYR CE2 . 16745 1 197 . 1 1 26 26 CYS H H 1 9.010 0.02 . 1 . . . . 26 CYS H . 16745 1 198 . 1 1 26 26 CYS HA H 1 5.527 0.02 . 1 . . . . 26 CYS HA . 16745 1 199 . 1 1 26 26 CYS HB2 H 1 2.886 0.02 . 1 . . . . 26 CYS HB2 . 16745 1 200 . 1 1 26 26 CYS HB3 H 1 2.834 0.02 . 1 . . . . 26 CYS HB3 . 16745 1 201 . 1 1 26 26 CYS CA C 13 54.533 0.3 . 1 . . . . 26 CYS CA . 16745 1 202 . 1 1 26 26 CYS CB C 13 42.023 0.3 . 1 . . . . 26 CYS CB . 16745 1 203 . 1 1 27 27 GLY H H 1 8.926 0.02 . 1 . . . . 27 GLY H . 16745 1 204 . 1 1 27 27 GLY HA2 H 1 3.639 0.02 . 1 . . . . 27 GLY HA2 . 16745 1 205 . 1 1 27 27 GLY HA3 H 1 2.113 0.02 . 1 . . . . 27 GLY HA3 . 16745 1 206 . 1 1 27 27 GLY CA C 13 45.139 0.3 . 1 . . . . 27 GLY CA . 16745 1 207 . 1 1 28 28 SER H H 1 8.050 0.02 . 1 . . . . 28 SER H . 16745 1 208 . 1 1 28 28 SER HA H 1 5.109 0.02 . 1 . . . . 28 SER HA . 16745 1 209 . 1 1 28 28 SER HB2 H 1 3.825 0.02 . 1 . . . . 28 SER HB2 . 16745 1 210 . 1 1 28 28 SER HB3 H 1 3.740 0.02 . 1 . . . . 28 SER HB3 . 16745 1 211 . 1 1 28 28 SER CA C 13 56.701 0.3 . 1 . . . . 28 SER CA . 16745 1 212 . 1 1 28 28 SER CB C 13 65.725 0.3 . 1 . . . . 28 SER CB . 16745 1 213 . 1 1 29 29 GLY H H 1 8.394 0.02 . 1 . . . . 29 GLY H . 16745 1 214 . 1 1 29 29 GLY HA2 H 1 4.021 0.02 . 1 . . . . 29 GLY HA2 . 16745 1 215 . 1 1 29 29 GLY HA3 H 1 4.598 0.02 . 1 . . . . 29 GLY HA3 . 16745 1 216 . 1 1 29 29 GLY CA C 13 44.964 0.3 . 1 . . . . 29 GLY CA . 16745 1 217 . 1 1 30 30 PRO HA H 1 4.381 0.02 . 1 . . . . 30 PRO HA . 16745 1 218 . 1 1 30 30 PRO HB2 H 1 1.985 0.02 . 1 . . . . 30 PRO HB2 . 16745 1 219 . 1 1 30 30 PRO HB3 H 1 2.340 0.02 . 1 . . . . 30 PRO HB3 . 16745 1 220 . 1 1 30 30 PRO HD2 H 1 3.860 0.02 . 2 . . . . 30 PRO HD2 . 16745 1 221 . 1 1 30 30 PRO HD3 H 1 3.670 0.02 . 2 . . . . 30 PRO HD3 . 16745 1 222 . 1 1 30 30 PRO HG2 H 1 2.078 0.02 . 1 . . . . 30 PRO HG2 . 16745 1 223 . 1 1 30 30 PRO HG3 H 1 2.078 0.02 . 1 . . . . 30 PRO HG3 . 16745 1 224 . 1 1 30 30 PRO CA C 13 65.087 0.3 . 1 . . . . 30 PRO CA . 16745 1 225 . 1 1 30 30 PRO CB C 13 31.969 0.3 . 1 . . . . 30 PRO CB . 16745 1 226 . 1 1 30 30 PRO CD C 13 49.757 0.3 . 1 . . . . 30 PRO CD . 16745 1 227 . 1 1 30 30 PRO CG C 13 27.159 0.3 . 1 . . . . 30 PRO CG . 16745 1 228 . 1 1 31 31 LYS H H 1 8.757 0.02 . 1 . . . . 31 LYS H . 16745 1 229 . 1 1 31 31 LYS HA H 1 4.138 0.02 . 1 . . . . 31 LYS HA . 16745 1 230 . 1 1 31 31 LYS HB2 H 1 1.846 0.02 . 1 . . . . 31 LYS HB2 . 16745 1 231 . 1 1 31 31 LYS HB3 H 1 1.655 0.02 . 1 . . . . 31 LYS HB3 . 16745 1 232 . 1 1 31 31 LYS HD2 H 1 1.655 0.02 . 1 . . . . 31 LYS HD2 . 16745 1 233 . 1 1 31 31 LYS HD3 H 1 1.655 0.02 . 1 . . . . 31 LYS HD3 . 16745 1 234 . 1 1 31 31 LYS HE2 H 1 2.957 0.02 . 1 . . . . 31 LYS HE2 . 16745 1 235 . 1 1 31 31 LYS HE3 H 1 2.957 0.02 . 1 . . . . 31 LYS HE3 . 16745 1 236 . 1 1 31 31 LYS HG2 H 1 1.441 0.02 . 2 . . . . 31 LYS HG2 . 16745 1 237 . 1 1 31 31 LYS HG3 H 1 1.224 0.02 . 2 . . . . 31 LYS HG3 . 16745 1 238 . 1 1 31 31 LYS HZ1 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1 239 . 1 1 31 31 LYS HZ2 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1 240 . 1 1 31 31 LYS HZ3 H 1 7.528 0.02 . 1 . . . . 31 LYS HZ . 16745 1 241 . 1 1 31 31 LYS CA C 13 57.934 0.3 . 5 . . . . 31 LYS CA . 16745 1 242 . 1 1 31 31 LYS CB C 13 31.624 0.3 . 1 . . . . 31 LYS CB . 16745 1 243 . 1 1 31 31 LYS CD C 13 28.811 0.3 . 1 . . . . 31 LYS CD . 16745 1 244 . 1 1 31 31 LYS CE C 13 42.023 0.3 . 1 . . . . 31 LYS CE . 16745 1 245 . 1 1 31 31 LYS CG C 13 25.163 0.3 . 1 . . . . 31 LYS CG . 16745 1 246 . 1 1 32 32 TYR H H 1 7.772 0.02 . 1 . . . . 32 TYR H . 16745 1 247 . 1 1 32 32 TYR HA H 1 4.211 0.02 . 1 . . . . 32 TYR HA . 16745 1 248 . 1 1 32 32 TYR HB2 H 1 2.568 0.02 . 1 . . . . 32 TYR HB2 . 16745 1 249 . 1 1 32 32 TYR HB3 H 1 2.939 0.02 . 1 . . . . 32 TYR HB3 . 16745 1 250 . 1 1 32 32 TYR HD1 H 1 7.273 0.02 . 1 . . . . 32 TYR HD1 . 16745 1 251 . 1 1 32 32 TYR HD2 H 1 7.273 0.02 . 1 . . . . 32 TYR HD2 . 16745 1 252 . 1 1 32 32 TYR HE1 H 1 6.767 0.02 . 1 . . . . 32 TYR HE1 . 16745 1 253 . 1 1 32 32 TYR HE2 H 1 6.767 0.02 . 1 . . . . 32 TYR HE2 . 16745 1 254 . 1 1 32 32 TYR CA C 13 59.644 0.3 . 1 . . . . 32 TYR CA . 16745 1 255 . 1 1 32 32 TYR CB C 13 41.014 0.3 . 1 . . . . 32 TYR CB . 16745 1 256 . 1 1 32 32 TYR CD1 C 13 134.018 3 . 1 . . . . 32 TYR CD1 . 16745 1 257 . 1 1 32 32 TYR CD2 C 13 134.018 3 . 1 . . . . 32 TYR CD2 . 16745 1 258 . 1 1 32 32 TYR CE1 C 13 117.831 0.3 . 1 . . . . 32 TYR CE1 . 16745 1 259 . 1 1 32 32 TYR CE2 C 13 117.831 0.3 . 1 . . . . 32 TYR CE2 . 16745 1 260 . 1 1 33 33 CYS H H 1 8.351 0.02 . 1 . . . . 33 CYS H . 16745 1 261 . 1 1 33 33 CYS HA H 1 4.618 0.02 . 1 . . . . 33 CYS HA . 16745 1 262 . 1 1 33 33 CYS HB2 H 1 2.809 0.02 . 1 . . . . 33 CYS HB2 . 16745 1 263 . 1 1 33 33 CYS HB3 H 1 3.259 0.02 . 1 . . . . 33 CYS HB3 . 16745 1 264 . 1 1 33 33 CYS CA C 13 54.593 0.3 . 1 . . . . 33 CYS CA . 16745 1 265 . 1 1 33 33 CYS CB C 13 43.154 0.3 . 1 . . . . 33 CYS CB . 16745 1 266 . 1 1 34 34 ALA H H 1 8.180 0.02 . 1 . . . . 34 ALA H . 16745 1 267 . 1 1 34 34 ALA HA H 1 4.350 0.02 . 1 . . . . 34 ALA HA . 16745 1 268 . 1 1 34 34 ALA HB1 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1 269 . 1 1 34 34 ALA HB2 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1 270 . 1 1 34 34 ALA HB3 H 1 1.406 0.02 . 1 . . . . 34 ALA HB . 16745 1 271 . 1 1 34 34 ALA CA C 13 52.715 0.3 . 1 . . . . 34 ALA CA . 16745 1 272 . 1 1 34 34 ALA CB C 13 19.112 0.3 . 1 . . . . 34 ALA CB . 16745 1 273 . 1 1 35 35 HIS H H 1 7.936 0.02 . 1 . . . . 35 HIS H . 16745 1 274 . 1 1 35 35 HIS HA H 1 4.463 0.02 . 1 . . . . 35 HIS HA . 16745 1 275 . 1 1 35 35 HIS HB2 H 1 3.265 0.02 . 2 . . . . 35 HIS HB2 . 16745 1 276 . 1 1 35 35 HIS HB3 H 1 3.132 0.02 . 2 . . . . 35 HIS HB3 . 16745 1 277 . 1 1 35 35 HIS HD2 H 1 7.257 0.02 . 1 . . . . 35 HIS HD2 . 16745 1 278 . 1 1 35 35 HIS HE1 H 1 8.595 0.02 . 1 . . . . 35 HIS HE1 . 16745 1 279 . 1 1 35 35 HIS CA C 13 55.857 0.3 . 1 . . . . 35 HIS CA . 16745 1 280 . 1 1 35 35 HIS CB C 13 29.576 0.3 . 1 . . . . 35 HIS CB . 16745 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 1 163 16745 1 1 241 16745 1 stop_ save_