################################### # 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 25574 _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_30C _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 2 '2D 1H-13C HSQC' . . . 25574 1 5 '2D 1H-1H TOCSY' . . . 25574 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 5 $CARA . . 25574 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 ALA H H 1 8.469 0.020 . 1 . . . A 1 ALA H1 . 25574 1 2 . 1 1 1 1 ALA HA H 1 4.256 0.020 . 1 . . . A 1 ALA HA . 25574 1 3 . 1 1 1 1 ALA HB1 H 1 1.339 0.020 . 1 . . . A 1 ALA HB1 . 25574 1 4 . 1 1 1 1 ALA HB2 H 1 1.339 0.020 . 1 . . . A 1 ALA HB2 . 25574 1 5 . 1 1 1 1 ALA HB3 H 1 1.339 0.020 . 1 . . . A 1 ALA HB3 . 25574 1 6 . 1 1 1 1 ALA CA C 13 52.341 0.3 . 1 . . . A 1 ALA CA . 25574 1 7 . 1 1 1 1 ALA CB C 13 19.004 0.3 . 1 . . . A 1 ALA CB . 25574 1 8 . 1 1 2 2 ALA H H 1 8.200 0.020 . 1 . . . A 2 ALA H . 25574 1 9 . 1 1 2 2 ALA HA H 1 4.197 0.020 . 1 . . . A 2 ALA HA . 25574 1 10 . 1 1 2 2 ALA HB1 H 1 1.316 0.020 . 1 . . . A 2 ALA HB1 . 25574 1 11 . 1 1 2 2 ALA HB2 H 1 1.316 0.020 . 1 . . . A 2 ALA HB2 . 25574 1 12 . 1 1 2 2 ALA HB3 H 1 1.316 0.020 . 1 . . . A 2 ALA HB3 . 25574 1 13 . 1 1 2 2 ALA CA C 13 52.165 0.3 . 1 . . . A 2 ALA CA . 25574 1 14 . 1 1 2 2 ALA CB C 13 19.023 0.3 . 1 . . . A 2 ALA CB . 25574 1 15 . 1 1 3 3 GLY H H 1 8.540 0.020 . 1 . . . A 3 GLY H . 25574 1 16 . 1 1 3 3 GLY HA2 H 1 3.984 0.020 . 2 . . . A 3 GLY HA2 . 25574 1 17 . 1 1 3 3 GLY HA3 H 1 4.068 0.020 . 2 . . . A 3 GLY HA3 . 25574 1 18 . 1 1 3 3 GLY CA C 13 44.833 0.3 . 1 . . . A 3 GLY CA . 25574 1 19 . 1 1 4 4 GLN H H 1 8.298 0.020 . 1 . . . A 4 GLN H . 25574 1 20 . 1 1 4 4 GLN HA H 1 4.442 0.020 . 1 . . . A 4 GLN HA . 25574 1 21 . 1 1 4 4 GLN HB2 H 1 1.900 0.020 . 2 . . . A 4 GLN HB2 . 25574 1 22 . 1 1 4 4 GLN HB3 H 1 2.047 0.020 . 2 . . . A 4 GLN HB3 . 25574 1 23 . 1 1 4 4 GLN HG2 H 1 2.014 0.020 . 2 . . . A 4 GLN HG2 . 25574 1 24 . 1 1 4 4 GLN HG3 H 1 2.240 0.020 . 2 . . . A 4 GLN HG3 . 25574 1 25 . 1 1 4 4 GLN HE21 H 1 7.250 0.020 . 2 . . . A 4 GLN HE21 . 25574 1 26 . 1 1 4 4 GLN HE22 H 1 6.806 0.020 . 2 . . . A 4 GLN HE22 . 25574 1 27 . 1 1 4 4 GLN CA C 13 55.826 0.3 . 1 . . . A 4 GLN CA . 25574 1 28 . 1 1 4 4 GLN CB C 13 30.318 0.3 . 1 . . . A 4 GLN CB . 25574 1 29 . 1 1 4 4 GLN CG C 13 34.821 0.3 . 1 . . . A 4 GLN CG . 25574 1 30 . 1 1 5 5 CYS H H 1 7.699 0.020 . 1 . . . A 5 CYS H . 25574 1 31 . 1 1 5 5 CYS HA H 1 4.378 0.020 . 1 . . . A 5 CYS HA . 25574 1 32 . 1 1 5 5 CYS HB2 H 1 3.110 0.020 . 1 . . . A 5 CYS HB2 . 25574 1 33 . 1 1 5 5 CYS HB3 H 1 2.843 0.020 . 1 . . . A 5 CYS HB3 . 25574 1 34 . 1 1 5 5 CYS CA C 13 54.848 0.3 . 1 . . . A 5 CYS CA . 25574 1 35 . 1 1 5 5 CYS CB C 13 41.396 0.3 . 1 . . . A 5 CYS CB . 25574 1 36 . 1 1 6 6 TYR H H 1 8.716 0.020 . 1 . . . A 6 TYR H . 25574 1 37 . 1 1 6 6 TYR HA H 1 4.713 0.020 . 1 . . . A 6 TYR HA . 25574 1 38 . 1 1 6 6 TYR HB2 H 1 2.881 0.020 . 1 . . . A 6 TYR HB2 . 25574 1 39 . 1 1 6 6 TYR HB3 H 1 2.881 0.020 . 1 . . . A 6 TYR HB3 . 25574 1 40 . 1 1 6 6 TYR HD1 H 1 7.101 0.020 . 1 . . . A 6 TYR HD1 . 25574 1 41 . 1 1 6 6 TYR HD2 H 1 7.101 0.020 . 1 . . . A 6 TYR HD2 . 25574 1 42 . 1 1 6 6 TYR HE1 H 1 6.764 0.020 . 1 . . . A 6 TYR HE1 . 25574 1 43 . 1 1 6 6 TYR HE2 H 1 6.764 0.020 . 1 . . . A 6 TYR HE2 . 25574 1 44 . 1 1 6 6 TYR CA C 13 57.097 0.3 . 1 . . . A 6 TYR CA . 25574 1 45 . 1 1 6 6 TYR CB C 13 38.913 0.3 . 1 . . . A 6 TYR CB . 25574 1 46 . 1 1 6 6 TYR CD1 C 13 133.215 0.3 . 1 . . . A 6 TYR CD1 . 25574 1 47 . 1 1 6 6 TYR CD2 C 13 133.215 0.3 . 1 . . . A 6 TYR CD2 . 25574 1 48 . 1 1 6 6 TYR CE1 C 13 118.179 0.3 . 1 . . . A 6 TYR CE1 . 25574 1 49 . 1 1 6 6 TYR CE2 C 13 118.179 0.3 . 1 . . . A 6 TYR CE2 . 25574 1 50 . 1 1 7 7 ARG H H 1 9.072 0.020 . 1 . . . A 7 ARG H . 25574 1 51 . 1 1 7 7 ARG HA H 1 3.641 0.020 . 1 . . . A 7 ARG HA . 25574 1 52 . 1 1 7 7 ARG HB2 H 1 1.495 0.020 . 2 . . . A 7 ARG HB2 . 25574 1 53 . 1 1 7 7 ARG HB3 H 1 1.715 0.020 . 2 . . . A 7 ARG HB3 . 25574 1 54 . 1 1 7 7 ARG HG2 H 1 0.762 0.020 . 2 . . . A 7 ARG HG2 . 25574 1 55 . 1 1 7 7 ARG HG3 H 1 1.083 0.020 . 2 . . . A 7 ARG HG3 . 25574 1 56 . 1 1 7 7 ARG HD2 H 1 2.898 0.020 . 1 . . . A 7 ARG HD2 . 25574 1 57 . 1 1 7 7 ARG HD3 H 1 2.898 0.020 . 1 . . . A 7 ARG HD3 . 25574 1 58 . 1 1 7 7 ARG HE H 1 6.882 0.020 . 1 . . . A 7 ARG HE . 25574 1 59 . 1 1 7 7 ARG CA C 13 56.630 0.3 . 1 . . . A 7 ARG CA . 25574 1 60 . 1 1 7 7 ARG CB C 13 27.555 0.3 . 1 . . . A 7 ARG CB . 25574 1 61 . 1 1 7 7 ARG CG C 13 26.767 0.3 . 1 . . . A 7 ARG CG . 25574 1 62 . 1 1 7 7 ARG CD C 13 43.267 0.3 . 1 . . . A 7 ARG CD . 25574 1 63 . 1 1 8 8 GLY H H 1 8.249 0.020 . 1 . . . A 8 GLY H . 25574 1 64 . 1 1 8 8 GLY HA2 H 1 3.699 0.020 . 1 . . . A 8 GLY HA2 . 25574 1 65 . 1 1 8 8 GLY HA3 H 1 4.022 0.020 . 1 . . . A 8 GLY HA3 . 25574 1 66 . 1 1 8 8 GLY CA C 13 45.227 0.3 . 1 . . . A 8 GLY CA . 25574 1 67 . 1 1 9 9 ARG H H 1 7.816 0.020 . 1 . . . A 9 ARG H . 25574 1 68 . 1 1 9 9 ARG HA H 1 4.713 0.020 . 1 . . . A 9 ARG HA . 25574 1 69 . 1 1 9 9 ARG HB2 H 1 1.873 0.020 . 1 . . . A 9 ARG HB2 . 25574 1 70 . 1 1 9 9 ARG HB3 H 1 1.873 0.020 . 1 . . . A 9 ARG HB3 . 25574 1 71 . 1 1 9 9 ARG HG2 H 1 1.612 0.020 . 1 . . . A 9 ARG HG2 . 25574 1 72 . 1 1 9 9 ARG HG3 H 1 1.612 0.020 . 1 . . . A 9 ARG HG3 . 25574 1 73 . 1 1 9 9 ARG HD2 H 1 3.182 0.020 . 1 . . . A 9 ARG HD2 . 25574 1 74 . 1 1 9 9 ARG HD3 H 1 3.182 0.020 . 1 . . . A 9 ARG HD3 . 25574 1 75 . 1 1 9 9 ARG HE H 1 7.133 0.020 . 1 . . . A 9 ARG HE . 25574 1 76 . 1 1 9 9 ARG CA C 13 54.864 0.3 . 1 . . . A 9 ARG CA . 25574 1 77 . 1 1 9 9 ARG CB C 13 33.260 0.3 . 1 . . . A 9 ARG CB . 25574 1 78 . 1 1 9 9 ARG CG C 13 26.879 0.3 . 1 . . . A 9 ARG CG . 25574 1 79 . 1 1 9 9 ARG CD C 13 43.090 0.3 . 1 . . . A 9 ARG CD . 25574 1 80 . 1 1 10 10 CYS H H 1 8.618 0.020 . 1 . . . A 10 CYS H . 25574 1 81 . 1 1 10 10 CYS HA H 1 4.986 0.020 . 1 . . . A 10 CYS HA . 25574 1 82 . 1 1 10 10 CYS HB2 H 1 2.611 0.020 . 1 . . . A 10 CYS HB2 . 25574 1 83 . 1 1 10 10 CYS HB3 H 1 3.010 0.020 . 1 . . . A 10 CYS HB3 . 25574 1 84 . 1 1 10 10 CYS CA C 13 54.466 0.3 . 1 . . . A 10 CYS CA . 25574 1 85 . 1 1 10 10 CYS CB C 13 46.281 0.3 . 1 . . . A 10 CYS CB . 25574 1 86 . 1 1 11 11 SER H H 1 8.610 0.020 . 1 . . . A 11 SER H . 25574 1 87 . 1 1 11 11 SER HA H 1 4.597 0.020 . 1 . . . A 11 SER HA . 25574 1 88 . 1 1 11 11 SER HB2 H 1 3.860 0.020 . 1 . . . A 11 SER HB2 . 25574 1 89 . 1 1 11 11 SER HB3 H 1 3.860 0.020 . 1 . . . A 11 SER HB3 . 25574 1 90 . 1 1 11 11 SER CA C 13 57.879 0.3 . 1 . . . A 11 SER CA . 25574 1 91 . 1 1 11 11 SER CB C 13 64.063 0.3 . 1 . . . A 11 SER CB . 25574 1 92 . 1 1 12 12 GLY H H 1 8.618 0.020 . 1 . . . A 12 GLY H . 25574 1 93 . 1 1 12 12 GLY HA2 H 1 3.809 0.020 . 1 . . . A 12 GLY HA2 . 25574 1 94 . 1 1 12 12 GLY HA3 H 1 3.809 0.020 . 1 . . . A 12 GLY HA3 . 25574 1 95 . 1 1 12 12 GLY CA C 13 46.644 0.3 . 1 . . . A 12 GLY CA . 25574 1 96 . 1 1 13 13 GLY H H 1 8.620 0.020 . 1 . . . A 13 GLY H . 25574 1 97 . 1 1 13 13 GLY HA2 H 1 3.702 0.020 . 2 . . . A 13 GLY HA2 . 25574 1 98 . 1 1 13 13 GLY HA3 H 1 4.036 0.020 . 2 . . . A 13 GLY HA3 . 25574 1 99 . 1 1 13 13 GLY CA C 13 44.986 0.3 . 1 . . . A 13 GLY CA . 25574 1 100 . 1 1 14 14 LEU H H 1 7.063 0.020 . 1 . . . A 14 LEU H . 25574 1 101 . 1 1 14 14 LEU HA H 1 4.283 0.020 . 1 . . . A 14 LEU HA . 25574 1 102 . 1 1 14 14 LEU HB2 H 1 1.720 0.020 . 1 . . . A 14 LEU HB2 . 25574 1 103 . 1 1 14 14 LEU HB3 H 1 1.341 0.020 . 1 . . . A 14 LEU HB3 . 25574 1 104 . 1 1 14 14 LEU HG H 1 1.576 0.020 . 1 . . . A 14 LEU HG . 25574 1 105 . 1 1 14 14 LEU HD11 H 1 0.719 0.020 . 1 . . . A 14 LEU HD11 . 25574 1 106 . 1 1 14 14 LEU HD12 H 1 0.719 0.020 . 1 . . . A 14 LEU HD12 . 25574 1 107 . 1 1 14 14 LEU HD13 H 1 0.719 0.020 . 1 . . . A 14 LEU HD13 . 25574 1 108 . 1 1 14 14 LEU HD21 H 1 0.581 0.020 . 1 . . . A 14 LEU HD21 . 25574 1 109 . 1 1 14 14 LEU HD22 H 1 0.581 0.020 . 1 . . . A 14 LEU HD22 . 25574 1 110 . 1 1 14 14 LEU HD23 H 1 0.581 0.020 . 1 . . . A 14 LEU HD23 . 25574 1 111 . 1 1 14 14 LEU CA C 13 54.306 0.3 . 1 . . . A 14 LEU CA . 25574 1 112 . 1 1 14 14 LEU CB C 13 42.029 0.3 . 1 . . . A 14 LEU CB . 25574 1 113 . 1 1 14 14 LEU CG C 13 27.376 0.3 . 1 . . . A 14 LEU CG . 25574 1 114 . 1 1 14 14 LEU CD1 C 13 25.324 0.3 . 1 . . . A 14 LEU CD1 . 25574 1 115 . 1 1 14 14 LEU CD2 C 13 22.204 0.3 . 1 . . . A 14 LEU CD2 . 25574 1 116 . 1 1 15 15 CYS H H 1 9.046 0.020 . 1 . . . A 15 CYS H . 25574 1 117 . 1 1 15 15 CYS HA H 1 4.442 0.020 . 1 . . . A 15 CYS HA . 25574 1 118 . 1 1 15 15 CYS HB2 H 1 2.551 0.020 . 1 . . . A 15 CYS HB2 . 25574 1 119 . 1 1 15 15 CYS HB3 H 1 3.746 0.020 . 1 . . . A 15 CYS HB3 . 25574 1 120 . 1 1 15 15 CYS CA C 13 54.052 0.3 . 1 . . . A 15 CYS CA . 25574 1 121 . 1 1 15 15 CYS CB C 13 50.309 0.3 . 1 . . . A 15 CYS CB . 25574 1 122 . 1 1 16 16 CYS H H 1 8.685 0.020 . 1 . . . A 16 CYS H . 25574 1 123 . 1 1 16 16 CYS HA H 1 4.800 0.020 . 1 . . . A 16 CYS HA . 25574 1 124 . 1 1 16 16 CYS HB2 H 1 2.758 0.020 . 2 . . . A 16 CYS HB2 . 25574 1 125 . 1 1 16 16 CYS HB3 H 1 2.896 0.020 . 2 . . . A 16 CYS HB3 . 25574 1 126 . 1 1 16 16 CYS CA C 13 55.835 0.3 . 1 . . . A 16 CYS CA . 25574 1 127 . 1 1 16 16 CYS CB C 13 41.284 0.3 . 1 . . . A 16 CYS CB . 25574 1 128 . 1 1 17 17 SER H H 1 9.830 0.020 . 1 . . . A 17 SER H . 25574 1 129 . 1 1 17 17 SER HA H 1 4.892 0.020 . 1 . . . A 17 SER HA . 25574 1 130 . 1 1 17 17 SER HB2 H 1 4.359 0.020 . 1 . . . A 17 SER HB2 . 25574 1 131 . 1 1 17 17 SER HB3 H 1 4.304 0.020 . 1 . . . A 17 SER HB3 . 25574 1 132 . 1 1 17 17 SER HG H 1 6.276 0.020 . 1 . . . A 17 SER HG . 25574 1 133 . 1 1 17 17 SER CA C 13 57.178 0.3 . 1 . . . A 17 SER CA . 25574 1 134 . 1 1 17 17 SER CB C 13 66.501 0.3 . 1 . . . A 17 SER CB . 25574 1 135 . 1 1 18 18 LYS H H 1 8.916 0.020 . 1 . . . A 18 LYS H . 25574 1 136 . 1 1 18 18 LYS HA H 1 4.021 0.020 . 1 . . . A 18 LYS HA . 25574 1 137 . 1 1 18 18 LYS HB2 H 1 1.473 0.020 . 2 . . . A 18 LYS HB2 . 25574 1 138 . 1 1 18 18 LYS HB3 H 1 1.541 0.020 . 2 . . . A 18 LYS HB3 . 25574 1 139 . 1 1 18 18 LYS HG2 H 1 0.665 0.020 . 2 . . . A 18 LYS HG2 . 25574 1 140 . 1 1 18 18 LYS HG3 H 1 1.048 0.020 . 2 . . . A 18 LYS HG3 . 25574 1 141 . 1 1 18 18 LYS HD2 H 1 1.440 0.020 . 1 . . . A 18 LYS HD2 . 25574 1 142 . 1 1 18 18 LYS HD3 H 1 1.440 0.020 . 1 . . . A 18 LYS HD3 . 25574 1 143 . 1 1 18 18 LYS HE2 H 1 2.793 0.020 . 1 . . . A 18 LYS HE2 . 25574 1 144 . 1 1 18 18 LYS HE3 H 1 2.793 0.020 . 1 . . . A 18 LYS HE3 . 25574 1 145 . 1 1 18 18 LYS CA C 13 57.853 0.3 . 1 . . . A 18 LYS CA . 25574 1 146 . 1 1 18 18 LYS CB C 13 31.323 0.3 . 1 . . . A 18 LYS CB . 25574 1 147 . 1 1 18 18 LYS CG C 13 23.568 0.3 . 1 . . . A 18 LYS CG . 25574 1 148 . 1 1 18 18 LYS CD C 13 28.764 0.3 . 1 . . . A 18 LYS CD . 25574 1 149 . 1 1 18 18 LYS CE C 13 41.491 0.3 . 1 . . . A 18 LYS CE . 25574 1 150 . 1 1 19 19 TYR H H 1 7.406 0.020 . 1 . . . A 19 TYR H . 25574 1 151 . 1 1 19 19 TYR HA H 1 4.627 0.020 . 1 . . . A 19 TYR HA . 25574 1 152 . 1 1 19 19 TYR HB2 H 1 2.703 0.020 . 1 . . . A 19 TYR HB2 . 25574 1 153 . 1 1 19 19 TYR HB3 H 1 3.531 0.020 . 1 . . . A 19 TYR HB3 . 25574 1 154 . 1 1 19 19 TYR HD1 H 1 7.126 0.020 . 1 . . . A 19 TYR HD1 . 25574 1 155 . 1 1 19 19 TYR HD2 H 1 7.126 0.020 . 1 . . . A 19 TYR HD2 . 25574 1 156 . 1 1 19 19 TYR HE1 H 1 6.807 0.020 . 1 . . . A 19 TYR HE1 . 25574 1 157 . 1 1 19 19 TYR HE2 H 1 6.807 0.020 . 1 . . . A 19 TYR HE2 . 25574 1 158 . 1 1 19 19 TYR CA C 13 56.866 0.3 . 1 . . . A 19 TYR CA . 25574 1 159 . 1 1 19 19 TYR CB C 13 38.390 0.3 . 1 . . . A 19 TYR CB . 25574 1 160 . 1 1 19 19 TYR CD1 C 13 132.683 0.3 . 1 . . . A 19 TYR CD1 . 25574 1 161 . 1 1 19 19 TYR CD2 C 13 132.683 0.3 . 1 . . . A 19 TYR CD2 . 25574 1 162 . 1 1 19 19 TYR CE1 C 13 117.920 0.3 . 1 . . . A 19 TYR CE1 . 25574 1 163 . 1 1 19 19 TYR CE2 C 13 117.920 0.3 . 1 . . . A 19 TYR CE2 . 25574 1 164 . 1 1 20 20 GLY H H 1 7.960 0.020 . 1 . . . A 20 GLY H . 25574 1 165 . 1 1 20 20 GLY HA2 H 1 3.545 0.020 . 2 . . . A 20 GLY HA2 . 25574 1 166 . 1 1 20 20 GLY HA3 H 1 3.957 0.020 . 2 . . . A 20 GLY HA3 . 25574 1 167 . 1 1 20 20 GLY CA C 13 46.476 0.3 . 1 . . . A 20 GLY CA . 25574 1 168 . 1 1 21 21 TYR H H 1 7.518 0.020 . 1 . . . A 21 TYR H . 25574 1 169 . 1 1 21 21 TYR HA H 1 5.067 0.020 . 1 . . . A 21 TYR HA . 25574 1 170 . 1 1 21 21 TYR HB2 H 1 2.863 0.020 . 1 . . . A 21 TYR HB2 . 25574 1 171 . 1 1 21 21 TYR HB3 H 1 3.254 0.020 . 1 . . . A 21 TYR HB3 . 25574 1 172 . 1 1 21 21 TYR HD1 H 1 6.901 0.020 . 1 . . . A 21 TYR HD1 . 25574 1 173 . 1 1 21 21 TYR HD2 H 1 6.901 0.020 . 1 . . . A 21 TYR HD2 . 25574 1 174 . 1 1 21 21 TYR HE1 H 1 6.775 0.020 . 1 . . . A 21 TYR HE1 . 25574 1 175 . 1 1 21 21 TYR HE2 H 1 6.775 0.020 . 1 . . . A 21 TYR HE2 . 25574 1 176 . 1 1 21 21 TYR CA C 13 57.097 0.3 . 1 . . . A 21 TYR CA . 25574 1 177 . 1 1 21 21 TYR CB C 13 42.270 0.3 . 1 . . . A 21 TYR CB . 25574 1 178 . 1 1 21 21 TYR CD1 C 13 133.097 0.3 . 1 . . . A 21 TYR CD1 . 25574 1 179 . 1 1 21 21 TYR CD2 C 13 133.097 0.3 . 1 . . . A 21 TYR CD2 . 25574 1 180 . 1 1 21 21 TYR CE1 C 13 117.890 0.3 . 1 . . . A 21 TYR CE1 . 25574 1 181 . 1 1 21 21 TYR CE2 C 13 117.890 0.3 . 1 . . . A 21 TYR CE2 . 25574 1 182 . 1 1 22 22 CYS H H 1 8.725 0.020 . 1 . . . A 22 CYS H . 25574 1 183 . 1 1 22 22 CYS HA H 1 5.564 0.020 . 1 . . . A 22 CYS HA . 25574 1 184 . 1 1 22 22 CYS HB2 H 1 2.757 0.020 . 1 . . . A 22 CYS HB2 . 25574 1 185 . 1 1 22 22 CYS HB3 H 1 2.712 0.020 . 1 . . . A 22 CYS HB3 . 25574 1 186 . 1 1 22 22 CYS CA C 13 54.074 0.3 . 1 . . . A 22 CYS CA . 25574 1 187 . 1 1 22 22 CYS CB C 13 43.146 0.3 . 1 . . . A 22 CYS CB . 25574 1 188 . 1 1 23 23 GLY H H 1 8.751 0.020 . 1 . . . A 23 GLY H . 25574 1 189 . 1 1 23 23 GLY HA2 H 1 3.563 0.020 . 1 . . . A 23 GLY HA2 . 25574 1 190 . 1 1 23 23 GLY HA3 H 1 1.937 0.020 . 1 . . . A 23 GLY HA3 . 25574 1 191 . 1 1 23 23 GLY CA C 13 45.008 0.3 . 1 . . . A 23 GLY CA . 25574 1 192 . 1 1 24 24 SER H H 1 7.967 0.020 . 1 . . . A 24 SER H . 25574 1 193 . 1 1 24 24 SER HA H 1 5.091 0.020 . 1 . . . A 24 SER HA . 25574 1 194 . 1 1 24 24 SER HB2 H 1 3.680 0.020 . 2 . . . A 24 SER HB2 . 25574 1 195 . 1 1 24 24 SER HB3 H 1 3.733 0.020 . 2 . . . A 24 SER HB3 . 25574 1 196 . 1 1 24 24 SER CA C 13 56.600 0.3 . 1 . . . A 24 SER CA . 25574 1 197 . 1 1 24 24 SER CB C 13 65.722 0.3 . 1 . . . A 24 SER CB . 25574 1 198 . 1 1 25 25 GLY H H 1 8.271 0.020 . 1 . . . A 25 GLY H . 25574 1 199 . 1 1 25 25 GLY HA2 H 1 3.951 0.020 . 1 . . . A 25 GLY HA2 . 25574 1 200 . 1 1 25 25 GLY HA3 H 1 4.536 0.020 . 1 . . . A 25 GLY HA3 . 25574 1 201 . 1 1 25 25 GLY CA C 13 44.720 0.3 . 1 . . . A 25 GLY CA . 25574 1 202 . 1 1 26 26 PRO HA H 1 4.290 0.020 . 1 . . . A 26 PRO HA . 25574 1 203 . 1 1 26 26 PRO HB2 H 1 1.921 0.020 . 1 . . . A 26 PRO HB2 . 25574 1 204 . 1 1 26 26 PRO HB3 H 1 2.317 0.020 . 1 . . . A 26 PRO HB3 . 25574 1 205 . 1 1 26 26 PRO HG2 H 1 2.069 0.020 . 1 . . . A 26 PRO HG2 . 25574 1 206 . 1 1 26 26 PRO HG3 H 1 2.003 0.020 . 1 . . . A 26 PRO HG3 . 25574 1 207 . 1 1 26 26 PRO HD2 H 1 3.787 0.020 . 1 . . . A 26 PRO HD2 . 25574 1 208 . 1 1 26 26 PRO HD3 H 1 3.630 0.020 . 1 . . . A 26 PRO HD3 . 25574 1 209 . 1 1 26 26 PRO CA C 13 65.282 0.3 . 1 . . . A 26 PRO CA . 25574 1 210 . 1 1 26 26 PRO CB C 13 31.904 0.3 . 1 . . . A 26 PRO CB . 25574 1 211 . 1 1 26 26 PRO CG C 13 27.140 0.3 . 1 . . . A 26 PRO CG . 25574 1 212 . 1 1 26 26 PRO CD C 13 49.753 0.3 . 1 . . . A 26 PRO CD . 25574 1 213 . 1 1 27 27 ALA H H 1 8.685 0.020 . 1 . . . A 27 ALA H . 25574 1 214 . 1 1 27 27 ALA HA H 1 4.108 0.020 . 1 . . . A 27 ALA HA . 25574 1 215 . 1 1 27 27 ALA HB1 H 1 1.258 0.020 . 1 . . . A 27 ALA HB1 . 25574 1 216 . 1 1 27 27 ALA HB2 H 1 1.258 0.020 . 1 . . . A 27 ALA HB2 . 25574 1 217 . 1 1 27 27 ALA HB3 H 1 1.258 0.020 . 1 . . . A 27 ALA HB3 . 25574 1 218 . 1 1 27 27 ALA CA C 13 53.743 0.3 . 1 . . . A 27 ALA CA . 25574 1 219 . 1 1 27 27 ALA CB C 13 17.939 0.3 . 1 . . . A 27 ALA CB . 25574 1 220 . 1 1 28 28 TYR H H 1 7.708 0.020 . 1 . . . A 28 TYR H . 25574 1 221 . 1 1 28 28 TYR HA H 1 4.119 0.020 . 1 . . . A 28 TYR HA . 25574 1 222 . 1 1 28 28 TYR HB2 H 1 2.444 0.020 . 1 . . . A 28 TYR HB2 . 25574 1 223 . 1 1 28 28 TYR HB3 H 1 2.838 0.020 . 1 . . . A 28 TYR HB3 . 25574 1 224 . 1 1 28 28 TYR HD1 H 1 7.180 0.020 . 1 . . . A 28 TYR HD1 . 25574 1 225 . 1 1 28 28 TYR HD2 H 1 7.180 0.020 . 1 . . . A 28 TYR HD2 . 25574 1 226 . 1 1 28 28 TYR HE1 H 1 6.680 0.020 . 1 . . . A 28 TYR HE1 . 25574 1 227 . 1 1 28 28 TYR HE2 H 1 6.680 0.020 . 1 . . . A 28 TYR HE2 . 25574 1 228 . 1 1 28 28 TYR CA C 13 51.764 0.3 . 1 . . . A 28 TYR CA . 25574 1 229 . 1 1 28 28 TYR CB C 13 41.164 0.3 . 1 . . . A 28 TYR CB . 25574 1 230 . 1 1 28 28 TYR CD1 C 13 134.216 0.3 . 1 . . . A 28 TYR CD1 . 25574 1 231 . 1 1 28 28 TYR CD2 C 13 134.216 0.3 . 1 . . . A 28 TYR CD2 . 25574 1 232 . 1 1 28 28 TYR CE1 C 13 117.732 0.3 . 1 . . . A 28 TYR CE1 . 25574 1 233 . 1 1 28 28 TYR CE2 C 13 117.732 0.3 . 1 . . . A 28 TYR CE2 . 25574 1 234 . 1 1 29 29 CYS H H 1 8.470 0.020 . 1 . . . A 29 CYS H . 25574 1 235 . 1 1 29 29 CYS HA H 1 4.521 0.020 . 1 . . . A 29 CYS HA . 25574 1 236 . 1 1 29 29 CYS HB2 H 1 2.765 0.020 . 1 . . . A 29 CYS HB2 . 25574 1 237 . 1 1 29 29 CYS HB3 H 1 3.268 0.020 . 1 . . . A 29 CYS HB3 . 25574 1 238 . 1 1 29 29 CYS CA C 13 54.982 0.3 . 1 . . . A 29 CYS CA . 25574 1 239 . 1 1 29 29 CYS CB C 13 43.058 0.3 . 1 . . . A 29 CYS CB . 25574 1 240 . 1 1 30 30 GLY H H 1 7.777 0.020 . 1 . . . A 30 GLY H . 25574 1 241 . 1 1 30 30 GLY HA2 H 1 3.721 0.020 . 2 . . . A 30 GLY HA2 . 25574 1 242 . 1 1 30 30 GLY HA3 H 1 3.790 0.020 . 2 . . . A 30 GLY HA3 . 25574 1 243 . 1 1 30 30 GLY CA C 13 45.994 0.3 . 1 . . . A 30 GLY CA . 25574 1 stop_ save_