################################### # 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 18538 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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-13C HSQC' . . . 18538 1 2 '2D DQF-COSY' . . . 18538 1 3 '2D 1H-1H TOCSY' . . . 18538 1 4 '2D 1H-1H NOESY' . . . 18538 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 4.198 0.005 . 1 . . . . 1 SER HA . 18538 1 2 . 1 1 1 1 SER HB2 H 1 3.999 0.005 . 1 . . . . 1 SER HB2 . 18538 1 3 . 1 1 1 1 SER HB3 H 1 3.999 0.005 . 1 . . . . 1 SER HB3 . 18538 1 4 . 1 1 1 1 SER CA C 13 58.0 0.1 . 1 . . . . 1 SER CA . 18538 1 5 . 1 1 1 1 SER CB C 13 63.5 0.1 . 1 . . . . 1 SER CB . 18538 1 6 . 1 1 2 2 GLY H H 1 8.715 0.005 . 1 . . . . 2 GLY H . 18538 1 7 . 1 1 2 2 GLY HA2 H 1 4.063 0.005 . 1 . . . . 2 GLY HA2 . 18538 1 8 . 1 1 2 2 GLY HA3 H 1 4.063 0.005 . 1 . . . . 2 GLY HA3 . 18538 1 9 . 1 1 2 2 GLY CA C 13 45.7 0.1 . 1 . . . . 2 GLY CA . 18538 1 10 . 1 1 3 3 SER H H 1 8.412 0.005 . 1 . . . . 3 SER H . 18538 1 11 . 1 1 3 3 SER HA H 1 4.455 0.005 . 1 . . . . 3 SER HA . 18538 1 12 . 1 1 3 3 SER HB2 H 1 3.851 0.005 . 1 . . . . 3 SER HB2 . 18538 1 13 . 1 1 3 3 SER HB3 H 1 3.851 0.005 . 1 . . . . 3 SER HB3 . 18538 1 14 . 1 1 3 3 SER CA C 13 58.9 0.1 . 1 . . . . 3 SER CA . 18538 1 15 . 1 1 3 3 SER CB C 13 64.5 0.1 . 1 . . . . 3 SER CB . 18538 1 16 . 1 1 4 4 GLY H H 1 8.422 0.005 . 1 . . . . 4 GLY H . 18538 1 17 . 1 1 4 4 GLY HA2 H 1 3.917 0.005 . 1 . . . . 4 GLY HA2 . 18538 1 18 . 1 1 4 4 GLY HA3 H 1 3.917 0.005 . 1 . . . . 4 GLY HA3 . 18538 1 19 . 1 1 4 4 GLY CA C 13 45.8 0.1 . 1 . . . . 4 GLY CA . 18538 1 20 . 1 1 5 5 CYS H H 1 8.282 0.005 . 1 . . . . 5 CYS H . 18538 1 21 . 1 1 5 5 CYS HA H 1 4.712 0.005 . 1 . . . . 5 CYS HA . 18538 1 22 . 1 1 5 5 CYS HB2 H 1 2.900 0.005 . 2 . . . . 5 CYS HB2 . 18538 1 23 . 1 1 5 5 CYS HB3 H 1 3.144 0.005 . 2 . . . . 5 CYS HB3 . 18538 1 24 . 1 1 5 5 CYS CA C 13 57.8 0.1 . 1 . . . . 5 CYS CA . 18538 1 25 . 1 1 5 5 CYS CB C 13 42.0 0.1 . 1 . . . . 5 CYS CB . 18538 1 26 . 1 1 6 6 GLY H H 1 8.381 0.005 . 1 . . . . 6 GLY H . 18538 1 27 . 1 1 6 6 GLY HA2 H 1 4.092 0.005 . 1 . . . . 6 GLY HA2 . 18538 1 28 . 1 1 6 6 GLY HA3 H 1 4.092 0.005 . 1 . . . . 6 GLY HA3 . 18538 1 29 . 1 1 6 6 GLY CA C 13 45.3 0.1 . 1 . . . . 6 GLY CA . 18538 1 30 . 1 1 7 7 PRO HA H 1 4.333 0.005 . 1 . . . . 7 PRO HA . 18538 1 31 . 1 1 7 7 PRO HB2 H 1 1.757 0.005 . 2 . . . . 7 PRO HB2 . 18538 1 32 . 1 1 7 7 PRO HB3 H 1 2.137 0.005 . 2 . . . . 7 PRO HB3 . 18538 1 33 . 1 1 7 7 PRO HG2 H 1 1.964 0.005 . 1 . . . . 7 PRO HG2 . 18538 1 34 . 1 1 7 7 PRO HG3 H 1 1.964 0.005 . 1 . . . . 7 PRO HG3 . 18538 1 35 . 1 1 7 7 PRO HD2 H 1 3.589 0.005 . 1 . . . . 7 PRO HD2 . 18538 1 36 . 1 1 7 7 PRO HD3 H 1 3.589 0.005 . 1 . . . . 7 PRO HD3 . 18538 1 37 . 1 1 7 7 PRO CA C 13 63.9 0.1 . 1 . . . . 7 PRO CA . 18538 1 38 . 1 1 7 7 PRO CB C 13 32.6 0.1 . 1 . . . . 7 PRO CB . 18538 1 39 . 1 1 7 7 PRO CG C 13 27.7 0.1 . 1 . . . . 7 PRO CG . 18538 1 40 . 1 1 7 7 PRO CD C 13 50.3 0.1 . 1 . . . . 7 PRO CD . 18538 1 41 . 1 1 8 8 ARG H H 1 8.304 0.005 . 1 . . . . 8 ARG H . 18538 1 42 . 1 1 8 8 ARG HA H 1 4.105 0.005 . 1 . . . . 8 ARG HA . 18538 1 43 . 1 1 8 8 ARG HB2 H 1 1.564 0.005 . 1 . . . . 8 ARG HB2 . 18538 1 44 . 1 1 8 8 ARG HB3 H 1 1.564 0.005 . 1 . . . . 8 ARG HB3 . 18538 1 45 . 1 1 8 8 ARG HG2 H 1 1.346 0.005 . 1 . . . . 8 ARG HG2 . 18538 1 46 . 1 1 8 8 ARG HG3 H 1 1.346 0.005 . 1 . . . . 8 ARG HG3 . 18538 1 47 . 1 1 8 8 ARG HD2 H 1 3.004 0.005 . 1 . . . . 8 ARG HD2 . 18538 1 48 . 1 1 8 8 ARG HD3 H 1 3.004 0.005 . 1 . . . . 8 ARG HD3 . 18538 1 49 . 1 1 8 8 ARG HE H 1 7.020 0.005 . 1 . . . . 8 ARG HE . 18538 1 50 . 1 1 8 8 ARG CA C 13 56.9 0.1 . 1 . . . . 8 ARG CA . 18538 1 51 . 1 1 8 8 ARG CB C 13 31.3 0.1 . 1 . . . . 8 ARG CB . 18538 1 52 . 1 1 8 8 ARG CG C 13 27.5 0.1 . 1 . . . . 8 ARG CG . 18538 1 53 . 1 1 8 8 ARG CD C 13 43.9 0.1 . 1 . . . . 8 ARG CD . 18538 1 54 . 1 1 9 9 PHE H H 1 8.056 0.005 . 1 . . . . 9 PHE H . 18538 1 55 . 1 1 9 9 PHE HA H 1 4.713 0.005 . 1 . . . . 9 PHE HA . 18538 1 56 . 1 1 9 9 PHE HB2 H 1 2.861 0.005 . 2 . . . . 9 PHE HB2 . 18538 1 57 . 1 1 9 9 PHE HB3 H 1 3.015 0.005 . 2 . . . . 9 PHE HB3 . 18538 1 58 . 1 1 9 9 PHE HD1 H 1 7.096 0.005 . 1 . . . . 9 PHE HD1 . 18538 1 59 . 1 1 9 9 PHE HD2 H 1 7.096 0.005 . 1 . . . . 9 PHE HD2 . 18538 1 60 . 1 1 9 9 PHE HE1 H 1 7.245 0.005 . 1 . . . . 9 PHE HE1 . 18538 1 61 . 1 1 9 9 PHE HE2 H 1 7.245 0.005 . 1 . . . . 9 PHE HE2 . 18538 1 62 . 1 1 9 9 PHE CB C 13 40.6 0.1 . 1 . . . . 9 PHE CB . 18538 1 63 . 1 1 10 10 MET H H 1 8.235 0.005 . 1 . . . . 10 MET H . 18538 1 64 . 1 1 10 10 MET HA H 1 4.409 0.005 . 1 . . . . 10 MET HA . 18538 1 65 . 1 1 10 10 MET HB2 H 1 1.830 0.005 . 1 . . . . 10 MET HB2 . 18538 1 66 . 1 1 10 10 MET HB3 H 1 1.913 0.005 . 1 . . . . 10 MET HB3 . 18538 1 67 . 1 1 10 10 MET HG2 H 1 2.311 0.005 . 2 . . . . 10 MET HG2 . 18538 1 68 . 1 1 10 10 MET HG3 H 1 2.359 0.005 . 2 . . . . 10 MET HG3 . 18538 1 69 . 1 1 10 10 MET HE1 H 1 2.002 0.005 . 1 . . . . 10 MET ME . 18538 1 70 . 1 1 10 10 MET HE2 H 1 2.002 0.005 . 1 . . . . 10 MET ME . 18538 1 71 . 1 1 10 10 MET HE3 H 1 2.002 0.005 . 1 . . . . 10 MET ME . 18538 1 72 . 1 1 10 10 MET CA C 13 55.8 0.1 . 1 . . . . 10 MET CA . 18538 1 73 . 1 1 10 10 MET CB C 13 33.7 0.1 . 1 . . . . 10 MET CB . 18538 1 74 . 1 1 10 10 MET CG C 13 32.4 0.1 . 1 . . . . 10 MET CG . 18538 1 75 . 1 1 10 10 MET CE C 13 17.3 0.1 . 1 . . . . 10 MET CE . 18538 1 76 . 1 1 11 11 HIS H H 1 8.603 0.005 . 1 . . . . 11 HIS H . 18538 1 77 . 1 1 11 11 HIS HA H 1 4.534 0.005 . 1 . . . . 11 HIS HA . 18538 1 78 . 1 1 11 11 HIS HB2 H 1 3.284 0.005 . 1 . . . . 11 HIS HB2 . 18538 1 79 . 1 1 11 11 HIS HB3 H 1 3.167 0.005 . 1 . . . . 11 HIS HB3 . 18538 1 80 . 1 1 11 11 HIS HD2 H 1 7.245 0.005 . 1 . . . . 11 HIS HD2 . 18538 1 81 . 1 1 11 11 HIS HE1 H 1 8.569 0.005 . 1 . . . . 11 HIS HE1 . 18538 1 82 . 1 1 11 11 HIS CA C 13 56.0 0.1 . 1 . . . . 11 HIS CA . 18538 1 83 . 1 1 11 11 HIS CB C 13 28.8 0.1 . 1 . . . . 11 HIS CB . 18538 1 84 . 1 1 12 12 GLY H H 1 8.396 0.005 . 1 . . . . 12 GLY H . 18538 1 85 . 1 1 12 12 GLY HA2 H 1 3.765 0.005 . 2 . . . . 12 GLY HA2 . 18538 1 86 . 1 1 12 12 GLY HA3 H 1 4.033 0.005 . 2 . . . . 12 GLY HA3 . 18538 1 87 . 1 1 12 12 GLY CA C 13 45.9 0.1 . 1 . . . . 12 GLY CA . 18538 1 88 . 1 1 13 13 LEU H H 1 7.999 0.005 . 1 . . . . 13 LEU H . 18538 1 89 . 1 1 13 13 LEU HA H 1 4.362 0.005 . 1 . . . . 13 LEU HA . 18538 1 90 . 1 1 13 13 LEU HB2 H 1 1.613 0.005 . 1 . . . . 13 LEU HB2 . 18538 1 91 . 1 1 13 13 LEU HB3 H 1 1.566 0.005 . 1 . . . . 13 LEU HB3 . 18538 1 92 . 1 1 13 13 LEU HG H 1 1.563 0.005 . 1 . . . . 13 LEU HG . 18538 1 93 . 1 1 13 13 LEU HD11 H 1 0.848 0.005 . 2 . . . . 13 LEU MD1 . 18538 1 94 . 1 1 13 13 LEU HD12 H 1 0.848 0.005 . 2 . . . . 13 LEU MD1 . 18538 1 95 . 1 1 13 13 LEU HD13 H 1 0.848 0.005 . 2 . . . . 13 LEU MD1 . 18538 1 96 . 1 1 13 13 LEU HD21 H 1 0.901 0.005 . 2 . . . . 13 LEU MD2 . 18538 1 97 . 1 1 13 13 LEU HD22 H 1 0.901 0.005 . 2 . . . . 13 LEU MD2 . 18538 1 98 . 1 1 13 13 LEU HD23 H 1 0.901 0.005 . 2 . . . . 13 LEU MD2 . 18538 1 99 . 1 1 13 13 LEU CA C 13 55.4 0.1 . 1 . . . . 13 LEU CA . 18538 1 100 . 1 1 13 13 LEU CB C 13 43.2 0.1 . 1 . . . . 13 LEU CB . 18538 1 101 . 1 1 13 13 LEU CG C 13 27.4 0.1 . 1 . . . . 13 LEU CG . 18538 1 102 . 1 1 13 13 LEU CD1 C 13 24.0 0.1 . 2 . . . . 13 LEU CD1 . 18538 1 103 . 1 1 13 13 LEU CD2 C 13 25.4 0.1 . 2 . . . . 13 LEU CD2 . 18538 1 104 . 1 1 14 14 GLN H H 1 8.303 0.005 . 1 . . . . 14 GLN H . 18538 1 105 . 1 1 14 14 GLN HA H 1 4.149 0.005 . 1 . . . . 14 GLN HA . 18538 1 106 . 1 1 14 14 GLN HB2 H 1 1.830 0.005 . 1 . . . . 14 GLN HB2 . 18538 1 107 . 1 1 14 14 GLN HB3 H 1 1.830 0.005 . 1 . . . . 14 GLN HB3 . 18538 1 108 . 1 1 14 14 GLN HG2 H 1 2.122 0.005 . 1 . . . . 14 GLN HG2 . 18538 1 109 . 1 1 14 14 GLN HG3 H 1 2.122 0.005 . 1 . . . . 14 GLN HG3 . 18538 1 110 . 1 1 14 14 GLN HE21 H 1 6.832 0.010 . 1 . . . . 14 GLN HE21 . 18538 1 111 . 1 1 14 14 GLN HE22 H 1 7.387 0.010 . 1 . . . . 14 GLN HE22 . 18538 1 112 . 1 1 14 14 GLN CA C 13 56.2 0.1 . 1 . . . . 14 GLN CA . 18538 1 113 . 1 1 14 14 GLN CB C 13 29.5 0.1 . 1 . . . . 14 GLN CB . 18538 1 114 . 1 1 14 14 GLN CG C 13 34.3 0.1 . 1 . . . . 14 GLN CG . 18538 1 115 . 1 1 15 15 LEU H H 1 8.133 0.005 . 1 . . . . 15 LEU H . 18538 1 116 . 1 1 15 15 LEU HA H 1 4.268 0.005 . 1 . . . . 15 LEU HA . 18538 1 117 . 1 1 15 15 LEU HB2 H 1 1.408 0.005 . 2 . . . . 15 LEU HB2 . 18538 1 118 . 1 1 15 15 LEU HB3 H 1 1.447 0.005 . 2 . . . . 15 LEU HB3 . 18538 1 119 . 1 1 15 15 LEU HG H 1 1.431 0.005 . 1 . . . . 15 LEU HG . 18538 1 120 . 1 1 15 15 LEU HD11 H 1 0.770 0.005 . 2 . . . . 15 LEU MD1 . 18538 1 121 . 1 1 15 15 LEU HD12 H 1 0.770 0.005 . 2 . . . . 15 LEU MD1 . 18538 1 122 . 1 1 15 15 LEU HD13 H 1 0.770 0.005 . 2 . . . . 15 LEU MD1 . 18538 1 123 . 1 1 15 15 LEU HD21 H 1 0.820 0.005 . 2 . . . . 15 LEU MD2 . 18538 1 124 . 1 1 15 15 LEU HD22 H 1 0.820 0.005 . 2 . . . . 15 LEU MD2 . 18538 1 125 . 1 1 15 15 LEU HD23 H 1 0.820 0.005 . 2 . . . . 15 LEU MD2 . 18538 1 126 . 1 1 15 15 LEU CA C 13 55.7 0.1 . 1 . . . . 15 LEU CA . 18538 1 127 . 1 1 15 15 LEU CB C 13 43.0 0.1 . 1 . . . . 15 LEU CB . 18538 1 128 . 1 1 15 15 LEU CG C 13 27.4 0.1 . 1 . . . . 15 LEU CG . 18538 1 129 . 1 1 15 15 LEU CD1 C 13 24.0 0.1 . 2 . . . . 15 LEU CD1 . 18538 1 130 . 1 1 15 15 LEU CD2 C 13 25.5 0.1 . 2 . . . . 15 LEU CD2 . 18538 1 131 . 1 1 16 16 TRP H H 1 7.941 0.005 . 1 . . . . 16 TRP H . 18538 1 132 . 1 1 16 16 TRP HA H 1 4.643 0.005 . 1 . . . . 16 TRP HA . 18538 1 133 . 1 1 16 16 TRP HB2 H 1 3.143 0.005 . 2 . . . . 16 TRP HB2 . 18538 1 134 . 1 1 16 16 TRP HB3 H 1 3.271 0.005 . 2 . . . . 16 TRP HB3 . 18538 1 135 . 1 1 16 16 TRP HD1 H 1 7.174 0.005 . 1 . . . . 16 TRP HD1 . 18538 1 136 . 1 1 16 16 TRP HE1 H 1 10.025 0.005 . 1 . . . . 16 TRP HE1 . 18538 1 137 . 1 1 16 16 TRP HE3 H 1 7.537 0.005 . 1 . . . . 16 TRP HE3 . 18538 1 138 . 1 1 16 16 TRP HZ2 H 1 7.436 0.005 . 1 . . . . 16 TRP HZ2 . 18538 1 139 . 1 1 16 16 TRP HZ3 H 1 7.089 0.005 . 1 . . . . 16 TRP HZ3 . 18538 1 140 . 1 1 16 16 TRP HH2 H 1 7.186 0.005 . 1 . . . . 16 TRP HH2 . 18538 1 141 . 1 1 16 16 TRP CA C 13 57.4 0.1 . 1 . . . . 16 TRP CA . 18538 1 142 . 1 1 16 16 TRP CB C 13 30.2 0.1 . 1 . . . . 16 TRP CB . 18538 1 143 . 1 1 16 16 TRP CE3 C 13 121.4 0.1 . 1 . . . . 16 TRP CE3 . 18538 1 144 . 1 1 16 16 TRP CZ2 C 13 115.1 0.1 . 1 . . . . 16 TRP CZ2 . 18538 1 145 . 1 1 16 16 TRP CH2 C 13 125.1 0.1 . 1 . . . . 16 TRP CH2 . 18538 1 146 . 1 1 17 17 ALA H H 1 8.169 0.005 . 1 . . . . 17 ALA H . 18538 1 147 . 1 1 17 17 ALA HA H 1 4.250 0.005 . 1 . . . . 17 ALA HA . 18538 1 148 . 1 1 17 17 ALA HB1 H 1 1.282 0.005 . 1 . . . . 17 ALA MB . 18538 1 149 . 1 1 17 17 ALA HB2 H 1 1.282 0.005 . 1 . . . . 17 ALA MB . 18538 1 150 . 1 1 17 17 ALA HB3 H 1 1.282 0.005 . 1 . . . . 17 ALA MB . 18538 1 151 . 1 1 17 17 ALA CA C 13 53.0 0.1 . 1 . . . . 17 ALA CA . 18538 1 152 . 1 1 17 17 ALA CB C 13 19.9 0.1 . 1 . . . . 17 ALA CB . 18538 1 153 . 1 1 18 18 ASP H H 1 8.244 0.005 . 1 . . . . 18 ASP H . 18538 1 154 . 1 1 18 18 ASP HA H 1 4.584 0.005 . 1 . . . . 18 ASP HA . 18538 1 155 . 1 1 18 18 ASP HB2 H 1 2.873 0.005 . 1 . . . . 18 ASP HB2 . 18538 1 156 . 1 1 18 18 ASP HB3 H 1 2.756 0.005 . 1 . . . . 18 ASP HB3 . 18538 1 157 . 1 1 18 18 ASP CA C 13 54.0 0.1 . 1 . . . . 18 ASP CA . 18538 1 158 . 1 1 18 18 ASP CB C 13 39.1 0.1 . 1 . . . . 18 ASP CB . 18538 1 159 . 1 1 19 19 GLU H H 1 8.024 0.005 . 1 . . . . 19 GLU H . 18538 1 160 . 1 1 19 19 GLU HA H 1 4.397 0.005 . 1 . . . . 19 GLU HA . 18538 1 161 . 1 1 19 19 GLU HB2 H 1 1.913 0.005 . 2 . . . . 19 GLU HB2 . 18538 1 162 . 1 1 19 19 GLU HB3 H 1 2.102 0.005 . 2 . . . . 19 GLU HB3 . 18538 1 163 . 1 1 19 19 GLU HG2 H 1 2.395 0.005 . 1 . . . . 19 GLU HG2 . 18538 1 164 . 1 1 19 19 GLU HG3 H 1 2.395 0.005 . 1 . . . . 19 GLU HG3 . 18538 1 165 . 1 1 19 19 GLU CA C 13 56.2 0.1 . 1 . . . . 19 GLU CA . 18538 1 166 . 1 1 19 19 GLU CB C 13 29.8 0.1 . 1 . . . . 19 GLU CB . 18538 1 167 . 1 1 19 19 GLU CG C 13 33.5 0.1 . 1 . . . . 19 GLU CG . 18538 1 168 . 1 1 20 20 GLY H H 1 8.254 0.005 . 1 . . . . 20 GLY H . 18538 1 169 . 1 1 20 20 GLY HA2 H 1 3.964 0.005 . 2 . . . . 20 GLY HA2 . 18538 1 170 . 1 1 20 20 GLY HA3 H 1 4.105 0.005 . 2 . . . . 20 GLY HA3 . 18538 1 171 . 1 1 20 20 GLY CA C 13 45.3 0.1 . 1 . . . . 20 GLY CA . 18538 1 172 . 1 1 21 21 PRO HA H 1 4.375 0.005 . 1 . . . . 21 PRO HA . 18538 1 173 . 1 1 21 21 PRO HB2 H 1 1.945 0.005 . 2 . . . . 21 PRO HB2 . 18538 1 174 . 1 1 21 21 PRO HB3 H 1 2.252 0.005 . 2 . . . . 21 PRO HB3 . 18538 1 175 . 1 1 21 21 PRO HG2 H 1 1.979 0.005 . 1 . . . . 21 PRO HG2 . 18538 1 176 . 1 1 21 21 PRO HG3 H 1 1.979 0.005 . 1 . . . . 21 PRO HG3 . 18538 1 177 . 1 1 21 21 PRO HD2 H 1 3.642 0.005 . 1 . . . . 21 PRO HD2 . 18538 1 178 . 1 1 21 21 PRO HD3 H 1 3.538 0.005 . 1 . . . . 21 PRO HD3 . 18538 1 179 . 1 1 21 21 PRO CA C 13 64.2 0.1 . 1 . . . . 21 PRO CA . 18538 1 180 . 1 1 21 21 PRO CB C 13 32.5 0.1 . 1 . . . . 21 PRO CB . 18538 1 181 . 1 1 21 21 PRO CG C 13 27.7 0.1 . 1 . . . . 21 PRO CG . 18538 1 182 . 1 1 21 21 PRO CD C 13 50.3 0.1 . 1 . . . . 21 PRO CD . 18538 1 183 . 1 1 22 22 CYS H H 1 8.404 0.005 . 1 . . . . 22 CYS H . 18538 1 184 . 1 1 22 22 CYS HA H 1 4.540 0.005 . 1 . . . . 22 CYS HA . 18538 1 185 . 1 1 22 22 CYS HB2 H 1 2.862 0.005 . 2 . . . . 22 CYS HB2 . 18538 1 186 . 1 1 22 22 CYS HB3 H 1 3.098 0.005 . 2 . . . . 22 CYS HB3 . 18538 1 187 . 1 1 22 22 CYS CA C 13 55.3 0.1 . 1 . . . . 22 CYS CA . 18538 1 188 . 1 1 22 22 CYS CB C 13 41.2 0.1 . 1 . . . . 22 CYS CB . 18538 1 stop_ save_