################################### # 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 25758 _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' . . . 25758 1 2 2D_1H-NOESY . . . 25758 1 3 '2D_1H-15N HSQC' . . . 25758 1 5 '2D 1H-1H TOCSY' . . . 25758 1 6 2D_1H-NOESY . . . 25758 1 7 '2D_1H-15N HSQC' . . . 25758 1 8 2D_1H-13C-HMQC . . . 25758 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 2 2 CYS HA H 1 4.75 0.01 . 1 . . . A 3 CYS HA . 25758 1 2 . 1 1 2 2 CYS HB2 H 1 2.93 0.01 . 2 . . . A 3 CYS HB2 . 25758 1 3 . 1 1 2 2 CYS HB3 H 1 3.16 0.01 . 2 . . . A 3 CYS HB3 . 25758 1 4 . 1 1 2 2 CYS CA C 13 55 0.1 . 1 . . . A 3 CYS CA . 25758 1 5 . 1 1 3 3 LYS H H 1 8.1 0.01 . 1 . . . A 4 LYS H . 25758 1 6 . 1 1 3 3 LYS HA H 1 4.52 0.01 . 1 . . . A 4 LYS HA . 25758 1 7 . 1 1 3 3 LYS HB2 H 1 1.61 0.01 . 2 . . . A 4 LYS HB2 . 25758 1 8 . 1 1 3 3 LYS HB3 H 1 1.76 0.01 . 2 . . . A 4 LYS HB3 . 25758 1 9 . 1 1 3 3 LYS HG2 H 1 0.93 0.01 . 2 . . . A 4 LYS HG2 . 25758 1 10 . 1 1 3 3 LYS HD2 H 1 1.29 0.01 . 2 . . . A 4 LYS HD2 . 25758 1 11 . 1 1 3 3 LYS HE2 H 1 2.84 0.01 . 2 . . . A 4 LYS HE2 . 25758 1 12 . 1 1 3 3 LYS CA C 13 54.8 0.1 . 1 . . . A 4 LYS CA . 25758 1 13 . 1 1 3 3 LYS CB C 13 35.3 0.1 . 1 . . . A 4 LYS CB . 25758 1 14 . 1 1 3 3 LYS N N 15 124.8 0.1 . 1 . . . A 4 LYS N . 25758 1 15 . 1 1 4 4 ASP H H 1 8.59 0.01 . 1 . . . A 5 ASP H . 25758 1 16 . 1 1 4 4 ASP HA H 1 4.96 0.01 . 1 . . . A 5 ASP HA . 25758 1 17 . 1 1 4 4 ASP HB2 H 1 2.69 0.01 . 2 . . . A 5 ASP HB2 . 25758 1 18 . 1 1 4 4 ASP HB3 H 1 3.17 0.01 . 2 . . . A 5 ASP HB3 . 25758 1 19 . 1 1 4 4 ASP CA C 13 54.2 0.1 . 1 . . . A 5 ASP CA . 25758 1 20 . 1 1 4 4 ASP N N 15 120.6 0.1 . 1 . . . A 5 ASP N . 25758 1 21 . 1 1 5 5 TYR H H 1 9.04 0.01 . 1 . . . A 6 TYR H . 25758 1 22 . 1 1 5 5 TYR HA H 1 4.67 0.01 . 1 . . . A 6 TYR HA . 25758 1 23 . 1 1 5 5 TYR HB2 H 1 2.92 0.01 . 2 . . . A 6 TYR HB2 . 25758 1 24 . 1 1 5 5 TYR HB3 H 1 3.42 0.01 . 2 . . . A 6 TYR HB3 . 25758 1 25 . 1 1 5 5 TYR HD1 H 1 7.23 0.01 . 2 . . . A 6 TYR HD2 . 25758 1 26 . 1 1 5 5 TYR HE1 H 1 6.87 0.01 . 2 . . . A 6 TYR HE2 . 25758 1 27 . 1 1 5 5 TYR CA C 13 58.2 0.1 . 1 . . . A 6 TYR CA . 25758 1 28 . 1 1 5 5 TYR CB C 13 39.1 0.1 . 1 . . . A 6 TYR CB . 25758 1 29 . 1 1 5 5 TYR N N 15 120.4 0.1 . 1 . . . A 6 TYR N . 25758 1 30 . 1 1 6 6 LEU H H 1 7.06 0.01 . 1 . . . A 7 LEU H . 25758 1 31 . 1 1 6 6 LEU HA H 1 4.85 0.01 . 1 . . . A 7 LEU HA . 25758 1 32 . 1 1 6 6 LEU HB2 H 1 1.49 0.01 . 2 . . . A 7 LEU HB2 . 25758 1 33 . 1 1 6 6 LEU HB3 H 1 1.76 0.01 . 2 . . . A 7 LEU HB3 . 25758 1 34 . 1 1 6 6 LEU HG H 1 1.66 0.01 . 2 . . . A 7 LEU HG . 25758 1 35 . 1 1 6 6 LEU HD11 H 1 1.02 0.01 . 2 . . . A 7 LEU HD11 . 25758 1 36 . 1 1 6 6 LEU HD12 H 1 1.02 0.01 . 2 . . . A 7 LEU HD12 . 25758 1 37 . 1 1 6 6 LEU HD13 H 1 1.02 0.01 . 2 . . . A 7 LEU HD13 . 25758 1 38 . 1 1 6 6 LEU HD21 H 1 1.05 0.01 . 2 . . . A 7 LEU HD21 . 25758 1 39 . 1 1 6 6 LEU HD22 H 1 1.05 0.01 . 2 . . . A 7 LEU HD22 . 25758 1 40 . 1 1 6 6 LEU HD23 H 1 1.05 0.01 . 2 . . . A 7 LEU HD23 . 25758 1 41 . 1 1 6 6 LEU CA C 13 51.8 0.1 . 1 . . . A 7 LEU CA . 25758 1 42 . 1 1 6 6 LEU CB C 13 43.5 0.1 . 1 . . . A 7 LEU CB . 25758 1 43 . 1 1 6 6 LEU N N 15 118.8 0.1 . 1 . . . A 7 LEU N . 25758 1 44 . 1 1 7 7 PRO HA H 1 4.48 0.01 . 1 . . . A 8 PRO HA . 25758 1 45 . 1 1 7 7 PRO HB2 H 1 1.98 0.01 . 2 . . . A 8 PRO HB2 . 25758 1 46 . 1 1 7 7 PRO HB3 H 1 2.06 0.01 . 2 . . . A 8 PRO HB3 . 25758 1 47 . 1 1 7 7 PRO HG2 H 1 2.48 0.01 . 2 . . . A 8 PRO HG2 . 25758 1 48 . 1 1 7 7 PRO HG3 H 1 2.48 0.01 . 2 . . . A 8 PRO HG* . 25758 1 49 . 1 1 7 7 PRO HD2 H 1 3.49 0.01 . 2 . . . A 8 PRO HD2 . 25758 1 50 . 1 1 7 7 PRO HD3 H 1 3.82 0.01 . 2 . . . A 8 PRO HD3 . 25758 1 51 . 1 1 7 7 PRO CA C 13 62.3 0.1 . 1 . . . A 8 PRO CA . 25758 1 52 . 1 1 8 8 LYS H H 1 8.46 0.01 . 1 . . . A 9 LYS H . 25758 1 53 . 1 1 8 8 LYS HA H 1 4.06 0.01 . 1 . . . A 9 LYS HA . 25758 1 54 . 1 1 8 8 LYS HB2 H 1 1.82 0.01 . 2 . . . A 9 LYS HB2 . 25758 1 55 . 1 1 8 8 LYS HB3 H 1 1.90 0.01 . 2 . . . A 9 LYS HB3 . 25758 1 56 . 1 1 8 8 LYS HG2 H 1 1.52 0.01 . 2 . . . A 9 LYS HG2 . 25758 1 57 . 1 1 8 8 LYS HD2 H 1 1.72 0.01 . 2 . . . A 9 LYS HD2 . 25758 1 58 . 1 1 8 8 LYS HE2 H 1 3.03 0.01 . 2 . . . A 9 LYS HE2 . 25758 1 59 . 1 1 8 8 LYS CA C 13 62.7 0.1 . 1 . . . A 9 LYS CA . 25758 1 60 . 1 1 8 8 LYS N N 15 122.7 0.1 . 1 . . . A 9 LYS N . 25758 1 61 . 1 1 9 9 SER H H 1 8.14 0.01 . 1 . . . A 10 SER H . 25758 1 62 . 1 1 9 9 SER HA H 1 4.03 0.01 . 1 . . . A 10 SER HA . 25758 1 63 . 1 1 9 9 SER HB2 H 1 3.86 0.01 . 2 . . . A 10 SER HB2 . 25758 1 64 . 1 1 9 9 SER HB3 H 1 3.94 0.01 . 2 . . . A 10 SER HB3 . 25758 1 65 . 1 1 9 9 SER CA C 13 59.3 0.1 . 1 . . . A 10 SER CA . 25758 1 66 . 1 1 9 9 SER CB C 13 62.1 0.1 . 1 . . . A 10 SER CB . 25758 1 67 . 1 1 9 9 SER N N 15 111 0.1 . 1 . . . A 10 SER N . 25758 1 68 . 1 1 10 10 GLU H H 1 7.82 0.01 . 1 . . . A 11 GLU H . 25758 1 69 . 1 1 10 10 GLU HA H 1 4.39 0.01 . 1 . . . A 11 GLU HA . 25758 1 70 . 1 1 10 10 GLU HB2 H 1 2.08 0.01 . 2 . . . A 11 GLU HB2 . 25758 1 71 . 1 1 10 10 GLU HB3 H 1 2.33 0.01 . 2 . . . A 11 GLU HB3 . 25758 1 72 . 1 1 10 10 GLU HG2 H 1 2.23 0.01 . 2 . . . A 11 GLU HG2 . 25758 1 73 . 1 1 10 10 GLU HG3 H 1 2.44 0.01 . 2 . . . A 11 GLU HG3 . 25758 1 74 . 1 1 10 10 GLU CA C 13 58.1 0.1 . 1 . . . A 11 GLU CA . 25758 1 75 . 1 1 10 10 GLU N N 15 117.8 0.1 . 1 . . . A 11 GLU N . 25758 1 76 . 1 1 11 11 CYS H H 1 7.62 0.01 . 1 . . . A 12 CYS H . 25758 1 77 . 1 1 11 11 CYS HA H 1 5.12 0.01 . 1 . . . A 12 CYS HA . 25758 1 78 . 1 1 11 11 CYS HB2 H 1 2.87 0.01 . 2 . . . A 12 CYS HB2 . 25758 1 79 . 1 1 11 11 CYS CA C 13 52 0.1 . 1 . . . A 12 CYS CA . 25758 1 80 . 1 1 11 11 CYS CB C 13 37.5 0.1 . 1 . . . A 12 CYS CB . 25758 1 81 . 1 1 11 11 CYS N N 15 120.3 0.1 . 1 . . . A 12 CYS N . 25758 1 82 . 1 1 12 12 THR H H 1 6.91 0.01 . 1 . . . A 13 THR H . 25758 1 83 . 1 1 12 12 THR HA H 1 4.49 0.01 . 1 . . . A 13 THR HA . 25758 1 84 . 1 1 12 12 THR HB H 1 4.65 0.01 . 1 . . . A 13 THR HB . 25758 1 85 . 1 1 12 12 THR HG21 H 1 1.19 0.01 . 2 . . . A 13 THR HG21 . 25758 1 86 . 1 1 12 12 THR HG22 H 1 1.19 0.01 . 2 . . . A 13 THR HG22 . 25758 1 87 . 1 1 12 12 THR HG23 H 1 1.19 0.01 . 2 . . . A 13 THR HG23 . 25758 1 88 . 1 1 12 12 THR CA C 13 59 0.1 . 1 . . . A 13 THR CA . 25758 1 89 . 1 1 12 12 THR CB C 13 70.9 0.1 . 1 . . . A 13 THR CB . 25758 1 90 . 1 1 12 12 THR N N 15 109.8 0.1 . 1 . . . A 13 THR N . 25758 1 91 . 1 1 13 13 GLN H H 1 8.96 0.01 . 1 . . . A 14 GLN H . 25758 1 92 . 1 1 13 13 GLN HA H 1 3.83 0.01 . 1 . . . A 14 GLN HA . 25758 1 93 . 1 1 13 13 GLN HB2 H 1 2.04 0.01 . 2 . . . A 14 GLN HB2 . 25758 1 94 . 1 1 13 13 GLN HB3 H 1 2.12 0.01 . 2 . . . A 14 GLN HB3 . 25758 1 95 . 1 1 13 13 GLN HG2 H 1 2.47 0.01 . 2 . . . A 14 GLN HG2 . 25758 1 96 . 1 1 13 13 GLN HE21 H 1 6.74 0.01 . 2 . . . A 14 GLN HE21 . 25758 1 97 . 1 1 13 13 GLN HE22 H 1 7.63 0.01 . 2 . . . A 14 GLN HE22 . 25758 1 98 . 1 1 13 13 GLN CA C 13 59.1 0.1 . 1 . . . A 14 GLN CA . 25758 1 99 . 1 1 13 13 GLN N N 15 120.8 0.1 . 1 . . . A 14 GLN N . 25758 1 100 . 1 1 14 14 PHE H H 1 8.44 0.01 . 1 . . . A 15 PHE H . 25758 1 101 . 1 1 14 14 PHE HA H 1 4.15 0.01 . 1 . . . A 15 PHE HA . 25758 1 102 . 1 1 14 14 PHE HB2 H 1 2.77 0.01 . 2 . . . A 15 PHE HB2 . 25758 1 103 . 1 1 14 14 PHE HB3 H 1 3.27 0.01 . 2 . . . A 15 PHE HB3 . 25758 1 104 . 1 1 14 14 PHE HD2 H 1 7.10 0.01 . 2 . . . A 15 PHE HD1 . 25758 1 105 . 1 1 14 14 PHE HE2 H 1 7.31 0.01 . 2 . . . A 15 PHE HE1 . 25758 1 106 . 1 1 14 14 PHE CA C 13 61.3 0.1 . 1 . . . A 15 PHE CA . 25758 1 107 . 1 1 14 14 PHE CB C 13 39.2 0.1 . 1 . . . A 15 PHE CB . 25758 1 108 . 1 1 14 14 PHE N N 15 118.3 0.1 . 1 . . . A 15 PHE N . 25758 1 109 . 1 1 15 15 ARG H H 1 7.61 0.01 . 1 . . . A 16 ARG H . 25758 1 110 . 1 1 15 15 ARG HA H 1 3.59 0.01 . 1 . . . A 16 ARG HA . 25758 1 111 . 1 1 15 15 ARG HB2 H 1 1.77 0.01 . 2 . . . A 16 ARG HB2 . 25758 1 112 . 1 1 15 15 ARG HB3 H 1 1.62 0.01 . 2 . . . A 16 ARG HB3 . 25758 1 113 . 1 1 15 15 ARG HG2 H 1 1.22 0.01 . 2 . . . A 16 ARG HG2 . 25758 1 114 . 1 1 15 15 ARG HG3 H 1 1.30 0.01 . 2 . . . A 16 ARG HG3 . 25758 1 115 . 1 1 15 15 ARG HD2 H 1 1.92 0.01 . 2 . . . A 16 ARG HD2 . 25758 1 116 . 1 1 15 15 ARG HD3 H 1 2.63 0.01 . 2 . . . A 16 ARG HD3 . 25758 1 117 . 1 1 15 15 ARG CA C 13 59.6 0.1 . 1 . . . A 16 ARG CA . 25758 1 118 . 1 1 15 15 ARG N N 15 121 0.1 . 1 . . . A 16 ARG N . 25758 1 119 . 1 1 16 16 CYS H H 1 8.25 0.01 . 1 . . . A 17 CYS H . 25758 1 120 . 1 1 16 16 CYS HA H 1 4.20 0.01 . 1 . . . A 17 CYS HA . 25758 1 121 . 1 1 16 16 CYS HB2 H 1 3.05 0.01 . 2 . . . A 17 CYS HB2 . 25758 1 122 . 1 1 16 16 CYS HB3 H 1 3.19 0.01 . 2 . . . A 17 CYS HB3 . 25758 1 123 . 1 1 16 16 CYS CA C 13 56.5 0.1 . 1 . . . A 17 CYS CA . 25758 1 124 . 1 1 16 16 CYS CB C 13 35.9 0.1 . 1 . . . A 17 CYS CB . 25758 1 125 . 1 1 16 16 CYS N N 15 115.2 0.1 . 1 . . . A 17 CYS N . 25758 1 126 . 1 1 17 17 ARG H H 1 7.73 0.01 . 1 . . . A 18 ARG H . 25758 1 127 . 1 1 17 17 ARG HA H 1 4.13 0.01 . 1 . . . A 18 ARG HA . 25758 1 128 . 1 1 17 17 ARG HB2 H 1 1.59 0.01 . 2 . . . A 18 ARG HB2 . 25758 1 129 . 1 1 17 17 ARG HB3 H 1 1.82 0.01 . 2 . . . A 18 ARG HB3 . 25758 1 130 . 1 1 17 17 ARG HG2 H 1 1.72 0.01 . 2 . . . A 18 ARG HG2 . 25758 1 131 . 1 1 17 17 ARG HD2 H 1 3.18 0.01 . 2 . . . A 18 ARG HD2 . 25758 1 132 . 1 1 17 17 ARG CA C 13 58 0.1 . 1 . . . A 18 ARG CA . 25758 1 133 . 1 1 17 17 ARG N N 15 114.5 0.1 . 1 . . . A 18 ARG N . 25758 1 134 . 1 1 18 18 THR H H 1 7.40 0.01 . 1 . . . A 19 THR H . 25758 1 135 . 1 1 18 18 THR HA H 1 4.31 0.01 . 1 . . . A 19 THR HA . 25758 1 136 . 1 1 18 18 THR HB H 1 4.02 0.01 . 1 . . . A 19 THR HB . 25758 1 137 . 1 1 18 18 THR HG21 H 1 0.79 0.01 . 2 . . . A 19 THR HG21 . 25758 1 138 . 1 1 18 18 THR HG22 H 1 0.79 0.01 . 2 . . . A 19 THR HG22 . 25758 1 139 . 1 1 18 18 THR HG23 H 1 0.79 0.01 . 2 . . . A 19 THR HG23 . 25758 1 140 . 1 1 18 18 THR CA C 13 61.8 0.1 . 1 . . . A 19 THR CA . 25758 1 141 . 1 1 18 18 THR CB C 13 71.2 0.1 . 1 . . . A 19 THR CB . 25758 1 142 . 1 1 18 18 THR N N 15 106 0.1 . 1 . . . A 19 THR N . 25758 1 143 . 1 1 19 19 SER H H 1 8.01 0.01 . 1 . . . A 20 SER H . 25758 1 144 . 1 1 19 19 SER HA H 1 5.06 0.01 . 1 . . . A 20 SER HA . 25758 1 145 . 1 1 19 19 SER HB2 H 1 3.91 0.01 . 2 . . . A 20 SER HB2 . 25758 1 146 . 1 1 19 19 SER HB3 H 1 4.07 0.01 . 2 . . . A 20 SER HB3 . 25758 1 147 . 1 1 19 19 SER CA C 13 56.1 0.1 . 1 . . . A 20 SER CA . 25758 1 148 . 1 1 19 19 SER CB C 13 63.2 0.1 . 1 . . . A 20 SER CB . 25758 1 149 . 1 1 19 19 SER N N 15 117 0.1 . 1 . . . A 20 SER N . 25758 1 150 . 1 1 20 20 MET H H 1 9.24 0.01 . 1 . . . A 21 MET H . 25758 1 151 . 1 1 20 20 MET HA H 1 4.15 0.01 . 1 . . . A 21 MET HA . 25758 1 152 . 1 1 20 20 MET HB2 H 1 2.07 0.01 . 2 . . . A 21 MET HB2 . 25758 1 153 . 1 1 20 20 MET HB3 H 1 2.17 0.01 . 2 . . . A 21 MET HB3 . 25758 1 154 . 1 1 20 20 MET HG2 H 1 2.6 0.01 . 2 . . . A 21 MET HG2 . 25758 1 155 . 1 1 20 20 MET HG3 H 1 2.73 0.01 . 2 . . . A 21 MET HG3 . 25758 1 156 . 1 1 20 20 MET CA C 13 58.7 0.1 . 1 . . . A 21 MET CA . 25758 1 157 . 1 1 20 20 MET CB C 13 32.3 0.1 . 1 . . . A 21 MET CB . 25758 1 158 . 1 1 20 20 MET N N 15 125.4 0.1 . 1 . . . A 21 MET N . 25758 1 159 . 1 1 21 21 LYS H H 1 8.32 0.01 . 1 . . . A 22 LYS H . 25758 1 160 . 1 1 21 21 LYS HA H 1 4.11 0.01 . 1 . . . A 22 LYS HA . 25758 1 161 . 1 1 21 21 LYS HB2 H 1 1.60 0.01 . 2 . . . A 22 LYS HB2 . 25758 1 162 . 1 1 21 21 LYS HB3 H 1 1.84 0.01 . 2 . . . A 22 LYS HB3 . 25758 1 163 . 1 1 21 21 LYS HG2 H 1 1.12 0.01 . 2 . . . A 22 LYS HG2 . 25758 1 164 . 1 1 21 21 LYS HD2 H 1 1.27 0.01 . 2 . . . A 22 LYS HD2 . 25758 1 165 . 1 1 21 21 LYS HE2 H 1 2.77 0.01 . 2 . . . A 22 LYS HE2 . 25758 1 166 . 1 1 21 21 LYS HE3 H 1 2.84 0.01 . 2 . . . A 22 LYS HE3 . 25758 1 167 . 1 1 21 21 LYS CA C 13 59.2 0.1 . 1 . . . A 22 LYS CA . 25758 1 168 . 1 1 21 21 LYS N N 15 119.5 0.1 . 1 . . . A 22 LYS N . 25758 1 169 . 1 1 22 22 TYR H H 1 7.65 0.01 . 1 . . . A 23 TYR H . 25758 1 170 . 1 1 22 22 TYR HA H 1 4.04 0.01 . 1 . . . A 23 TYR HA . 25758 1 171 . 1 1 22 22 TYR HB2 H 1 2.67 0.01 . 2 . . . A 23 TYR HB2 . 25758 1 172 . 1 1 22 22 TYR HB3 H 1 3.00 0.01 . 2 . . . A 23 TYR HB3 . 25758 1 173 . 1 1 22 22 TYR HD1 H 1 7.37 0.01 . 2 . . . A 23 TYR HD1 . 25758 1 174 . 1 1 22 22 TYR HE1 H 1 6.82 0.01 . 2 . . . A 23 TYR HE1 . 25758 1 175 . 1 1 22 22 TYR CA C 13 60.2 0.1 . 1 . . . A 23 TYR CA . 25758 1 176 . 1 1 22 22 TYR N N 15 118.9 0.1 . 1 . . . A 23 TYR N . 25758 1 177 . 1 1 23 23 ARG H H 1 8.21 0.01 . 1 . . . A 24 ARG H . 25758 1 178 . 1 1 23 23 ARG HA H 1 4.07 0.01 . 1 . . . A 24 ARG HA . 25758 1 179 . 1 1 23 23 ARG HB2 H 1 1.78 0.01 . 2 . . . A 24 ARG HB2 . 25758 1 180 . 1 1 23 23 ARG HB3 H 1 2.43 0.01 . 2 . . . A 24 ARG HB3 . 25758 1 181 . 1 1 23 23 ARG HG2 H 1 1.53 0.01 . 2 . . . A 24 ARG HG2 . 25758 1 182 . 1 1 23 23 ARG HG3 H 1 1.62 0.01 . 2 . . . A 24 ARG HG3 . 25758 1 183 . 1 1 23 23 ARG HD2 H 1 3.24 0.01 . 2 . . . A 24 ARG HD2 . 25758 1 184 . 1 1 23 23 ARG HD3 H 1 3.36 0.01 . 2 . . . A 24 ARG HD3 . 25758 1 185 . 1 1 23 23 ARG HE H 1 7.32 0.01 . 1 . . . A 24 ARG HE . 25758 1 186 . 1 1 23 23 ARG CA C 13 60 0.1 . 1 . . . A 24 ARG CA . 25758 1 187 . 1 1 23 23 ARG N N 15 117.4 0.1 . 1 . . . A 24 ARG N . 25758 1 188 . 1 1 24 24 LEU H H 1 8.37 0.01 . 1 . . . A 25 LEU H . 25758 1 189 . 1 1 24 24 LEU HA H 1 4.41 0.01 . 1 . . . A 25 LEU HA . 25758 1 190 . 1 1 24 24 LEU HB2 H 1 1.81 0.01 . 2 . . . A 25 LEU HB2 . 25758 1 191 . 1 1 24 24 LEU HB3 H 1 1.54 0.01 . 2 . . . A 25 LEU HB3 . 25758 1 192 . 1 1 24 24 LEU HG H 1 1.68 0.01 . 2 . . . A 25 LEU HG . 25758 1 193 . 1 1 24 24 LEU HD11 H 1 0.91 0.01 . 2 . . . A 25 LEU HD11 . 25758 1 194 . 1 1 24 24 LEU HD12 H 1 0.91 0.01 . 2 . . . A 25 LEU HD12 . 25758 1 195 . 1 1 24 24 LEU HD13 H 1 0.91 0.01 . 2 . . . A 25 LEU HD13 . 25758 1 196 . 1 1 24 24 LEU HD21 H 1 0.95 0.01 . 2 . . . A 25 LEU HD21 . 25758 1 197 . 1 1 24 24 LEU HD22 H 1 0.95 0.01 . 2 . . . A 25 LEU HD22 . 25758 1 198 . 1 1 24 24 LEU HD23 H 1 0.95 0.01 . 2 . . . A 25 LEU HD23 . 25758 1 199 . 1 1 24 24 LEU CA C 13 55.8 0.1 . 1 . . . A 25 LEU CA . 25758 1 200 . 1 1 24 24 LEU CB C 13 42.7 0.1 . 1 . . . A 25 LEU CB . 25758 1 201 . 1 1 24 24 LEU N N 15 110.6 0.1 . 1 . . . A 25 LEU N . 25758 1 202 . 1 1 25 25 ASN H H 1 7.14 0.01 . 1 . . . A 26 ASN H . 25758 1 203 . 1 1 25 25 ASN HA H 1 5.10 0.01 . 1 . . . A 26 ASN HA . 25758 1 204 . 1 1 25 25 ASN HB2 H 1 2.95 0.01 . 2 . . . A 26 ASN HB2 . 25758 1 205 . 1 1 25 25 ASN CA C 13 55.1 0.1 . 1 . . . A 26 ASN CA . 25758 1 206 . 1 1 25 25 ASN N N 15 113.4 0.1 . 1 . . . A 26 ASN N . 25758 1 207 . 1 1 26 26 LEU H H 1 7.97 0.01 . 1 . . . A 27 LEU H . 25758 1 208 . 1 1 26 26 LEU HA H 1 4.40 0.01 . 1 . . . A 27 LEU HA . 25758 1 209 . 1 1 26 26 LEU HB2 H 1 1.58 0.01 . 2 . . . A 27 LEU HB2 . 25758 1 210 . 1 1 26 26 LEU HG H 1 1.46 0.01 . 2 . . . A 27 LEU HG . 25758 1 211 . 1 1 26 26 LEU HD11 H 1 0.37 0.01 . 2 . . . A 27 LEU HD11 . 25758 1 212 . 1 1 26 26 LEU HD12 H 1 0.37 0.01 . 2 . . . A 27 LEU HD12 . 25758 1 213 . 1 1 26 26 LEU HD13 H 1 0.37 0.01 . 2 . . . A 27 LEU HD13 . 25758 1 214 . 1 1 26 26 LEU HD21 H 1 0.76 0.01 . 2 . . . A 27 LEU HD21 . 25758 1 215 . 1 1 26 26 LEU HD22 H 1 0.76 0.01 . 2 . . . A 27 LEU HD22 . 25758 1 216 . 1 1 26 26 LEU HD23 H 1 0.76 0.01 . 2 . . . A 27 LEU HD23 . 25758 1 217 . 1 1 26 26 LEU CA C 13 55.1 0.1 . 1 . . . A 27 LEU CA . 25758 1 218 . 1 1 26 26 LEU CB C 13 43.5 0.1 . 1 . . . A 27 LEU CB . 25758 1 219 . 1 1 26 26 LEU N N 15 117 0.1 . 1 . . . A 27 LEU N . 25758 1 220 . 1 1 27 27 CYS H H 1 8.58 0.01 . 1 . . . A 28 CYS H . 25758 1 221 . 1 1 27 27 CYS HA H 1 5.46 0.01 . 1 . . . A 28 CYS HA . 25758 1 222 . 1 1 27 27 CYS HB2 H 1 3.00 0.01 . 2 . . . A 28 CYS HB2 . 25758 1 223 . 1 1 27 27 CYS HB3 H 1 3.15 0.01 . 2 . . . A 28 CYS HB3 . 25758 1 224 . 1 1 27 27 CYS CA C 13 53.6 0.1 . 1 . . . A 28 CYS CA . 25758 1 225 . 1 1 27 27 CYS N N 15 118.6 0.1 . 1 . . . A 28 CYS N . 25758 1 226 . 1 1 28 28 LYS H H 1 8.51 0.01 . 1 . . . A 29 LYS H . 25758 1 227 . 1 1 28 28 LYS HA H 1 3.82 0.01 . 1 . . . A 29 LYS HA . 25758 1 228 . 1 1 28 28 LYS HB2 H 1 1.52 0.01 . 2 . . . A 29 LYS HB2 . 25758 1 229 . 1 1 28 28 LYS HB3 H 1 1.64 0.01 . 2 . . . A 29 LYS HB3 . 25758 1 230 . 1 1 28 28 LYS HG2 H 1 1.24 0.01 . 2 . . . A 29 LYS HG2 . 25758 1 231 . 1 1 28 28 LYS HG3 H 1 1.34 0.01 . 2 . . . A 29 LYS HG3 . 25758 1 232 . 1 1 28 28 LYS HD2 H 1 1.80 0.01 . 2 . . . A 29 LYS HD2 . 25758 1 233 . 1 1 28 28 LYS HE2 H 1 3.10 0.01 . 2 . . . A 29 LYS HE2 . 25758 1 234 . 1 1 28 28 LYS CA C 13 60.2 0.1 . 1 . . . A 29 LYS CA . 25758 1 235 . 1 1 28 28 LYS N N 15 118.3 0.1 . 1 . . . A 29 LYS N . 25758 1 236 . 1 1 29 29 LYS H H 1 7.33 0.01 . 1 . . . A 30 LYS H . 25758 1 237 . 1 1 29 29 LYS HA H 1 4.15 0.01 . 1 . . . A 30 LYS HA . 25758 1 238 . 1 1 29 29 LYS HB2 H 1 1.73 0.01 . 2 . . . A 30 LYS HB2 . 25758 1 239 . 1 1 29 29 LYS HB3 H 1 1.76 0.01 . 2 . . . A 30 LYS HB3 . 25758 1 240 . 1 1 29 29 LYS HG2 H 1 1.31 0.01 . 2 . . . A 30 LYS HG2 . 25758 1 241 . 1 1 29 29 LYS HD2 H 1 1.62 0.01 . 2 . . . A 30 LYS HD2 . 25758 1 242 . 1 1 29 29 LYS HE2 H 1 2.98 0.01 . 2 . . . A 30 LYS HE2 . 25758 1 243 . 1 1 29 29 LYS CA C 13 58.7 0.1 . 1 . . . A 30 LYS CA . 25758 1 244 . 1 1 29 29 LYS N N 15 116.9 0.1 . 1 . . . A 30 LYS N . 25758 1 245 . 1 1 30 30 THR H H 1 10.56 0.01 . 1 . . . A 31 THR H . 25758 1 246 . 1 1 30 30 THR HA H 1 3.8 0.01 . 1 . . . A 31 THR HA . 25758 1 247 . 1 1 30 30 THR HB H 1 4.00 0.01 . 1 . . . A 31 THR HB . 25758 1 248 . 1 1 30 30 THR HG21 H 1 1.14 0.01 . 2 . . . A 31 THR HG21 . 25758 1 249 . 1 1 30 30 THR HG22 H 1 1.14 0.01 . 2 . . . A 31 THR HG22 . 25758 1 250 . 1 1 30 30 THR HG23 H 1 1.14 0.01 . 2 . . . A 31 THR HG23 . 25758 1 251 . 1 1 30 30 THR CA C 13 68.4 0.1 . 1 . . . A 31 THR CA . 25758 1 252 . 1 1 30 30 THR CB C 13 67.8 0.1 . 1 . . . A 31 THR CB . 25758 1 253 . 1 1 30 30 THR N N 15 123.6 0.1 . 1 . . . A 31 THR N . 25758 1 254 . 1 1 31 31 CYS H H 1 8.82 0.01 . 1 . . . A 32 CYS H . 25758 1 255 . 1 1 31 31 CYS HA H 1 4.84 0.01 . 1 . . . A 32 CYS HA . 25758 1 256 . 1 1 31 31 CYS HB2 H 1 2.91 0.01 . 2 . . . A 32 CYS HB2 . 25758 1 257 . 1 1 31 31 CYS HB3 H 1 3.31 0.01 . 2 . . . A 32 CYS HB3 . 25758 1 258 . 1 1 31 31 CYS CA C 13 52.7 0.1 . 1 . . . A 32 CYS CA . 25758 1 259 . 1 1 31 31 CYS CB C 13 35.5 0.1 . 1 . . . A 32 CYS CB . 25758 1 260 . 1 1 31 31 CYS N N 15 113.6 0.1 . 1 . . . A 32 CYS N . 25758 1 261 . 1 1 32 32 GLY H H 1 7.83 0.01 . 1 . . . A 33 GLY H . 25758 1 262 . 1 1 32 32 GLY HA2 H 1 4.10 0.01 . 2 . . . A 33 GLY HA2 . 25758 1 263 . 1 1 32 32 GLY CA C 13 46.7 0.1 . 1 . . . A 33 GLY CA . 25758 1 264 . 1 1 32 32 GLY N N 15 109.7 0.1 . 1 . . . A 33 GLY N . 25758 1 265 . 1 1 33 33 THR H H 1 8.84 0.01 . 1 . . . A 34 THR H . 25758 1 266 . 1 1 33 33 THR HA H 1 4.32 0.01 . 1 . . . A 34 THR HA . 25758 1 267 . 1 1 33 33 THR HB H 1 4.48 0.01 . 1 . . . A 34 THR HB . 25758 1 268 . 1 1 33 33 THR HG21 H 1 1.10 0.01 . 2 . . . A 34 THR HG21 . 25758 1 269 . 1 1 33 33 THR HG22 H 1 1.10 0.01 . 2 . . . A 34 THR HG22 . 25758 1 270 . 1 1 33 33 THR HG23 H 1 1.10 0.01 . 2 . . . A 34 THR HG23 . 25758 1 271 . 1 1 33 33 THR CA C 13 62.6 0.1 . 1 . . . A 34 THR CA . 25758 1 272 . 1 1 33 33 THR CB C 13 68.1 0.1 . 1 . . . A 34 THR CB . 25758 1 273 . 1 1 33 33 THR N N 15 113.8 0.1 . 1 . . . A 34 THR N . 25758 1 274 . 1 1 34 34 CYS H H 1 7.71 0.01 . 1 . . . A 35 CYS H . 25758 1 275 . 1 1 34 34 CYS HA H 1 4.28 0.01 . 1 . . . A 35 CYS HA . 25758 1 276 . 1 1 34 34 CYS HB2 H 1 3.10 0.01 . 2 . . . A 35 CYS HB2 . 25758 1 277 . 1 1 34 34 CYS HB3 H 1 3.28 0.01 . 2 . . . A 35 CYS HB3 . 25758 1 278 . 1 1 34 34 CYS CA C 13 56.2 0.1 . 1 . . . A 35 CYS CA . 25758 1 279 . 1 1 34 34 CYS N N 15 122.9 0.1 . 1 . . . A 35 CYS N . 25758 1 stop_ save_