################################### # 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 25283 _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 2 '2D 1H-1H TOCSY' . . . 25283 1 3 '2D 1H-1H NOESY' . . . 25283 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 HA H 1 4.073 0.004 . . . . . A 1 ALA HA . 25283 1 2 . 1 1 1 1 ALA HB1 H 1 1.505 0.005 . . . . . A 1 ALA HB1 . 25283 1 3 . 1 1 1 1 ALA HB2 H 1 1.505 0.005 . . . . . A 1 ALA HB2 . 25283 1 4 . 1 1 1 1 ALA HB3 H 1 1.505 0.005 . . . . . A 1 ALA HB3 . 25283 1 5 . 1 1 2 2 ASP H H 1 8.670 0.021 . . . . . A 2 ASP H . 25283 1 6 . 1 1 2 2 ASP HA H 1 4.546 0.018 . . . . . A 2 ASP HA . 25283 1 7 . 1 1 2 2 ASP HB2 H 1 2.562 0.019 . . . . . A 2 ASP HB2 . 25283 1 8 . 1 1 2 2 ASP HB3 H 1 2.665 0.001 . . . . . A 2 ASP HB3 . 25283 1 9 . 1 1 3 3 ASP H H 1 8.316 0.016 . . . . . A 3 ASP H . 25283 1 10 . 1 1 3 3 ASP HA H 1 4.203 0.020 . . . . . A 3 ASP HA . 25283 1 11 . 1 1 3 3 ASP HB2 H 1 2.894 0.012 . . . . . A 3 ASP HB2 . 25283 1 12 . 1 1 3 3 ASP HB3 H 1 2.430 0.014 . . . . . A 3 ASP HB3 . 25283 1 13 . 1 1 4 4 LYS H H 1 8.295 0.022 . . . . . A 4 LYS H . 25283 1 14 . 1 1 4 4 LYS HA H 1 4.171 0.003 . . . . . A 4 LYS HA . 25283 1 15 . 1 1 4 4 LYS HB2 H 1 1.831 0.007 . . . . . A 4 LYS HB2 . 25283 1 16 . 1 1 4 4 LYS HB3 H 1 1.543 0.015 . . . . . A 4 LYS HB3 . 25283 1 17 . 1 1 5 5 CYS H H 1 8.498 0.005 . . . . . A 5 CYS H . 25283 1 18 . 1 1 5 5 CYS HA H 1 3.810 0.011 . . . . . A 5 CYS HA . 25283 1 19 . 1 1 5 5 CYS HB2 H 1 3.598 0.018 . . . . . A 5 CYS HB2 . 25283 1 20 . 1 1 5 5 CYS HB3 H 1 3.298 0.016 . . . . . A 5 CYS HB3 . 25283 1 21 . 1 1 6 6 GLU H H 1 7.303 0.015 . . . . . A 6 GLU H . 25283 1 22 . 1 1 6 6 GLU HA H 1 3.949 0.010 . . . . . A 6 GLU HA . 25283 1 23 . 1 1 6 6 GLU HB2 H 1 1.960 0.004 . . . . . A 6 GLU HB2 . 25283 1 24 . 1 1 6 6 GLU HB3 H 1 1.960 0.004 . . . . . A 6 GLU HB3 . 25283 1 25 . 1 1 7 7 ASP H H 1 7.084 0.017 . . . . . A 7 ASP H . 25283 1 26 . 1 1 7 7 ASP HA H 1 4.683 0.004 . . . . . A 7 ASP HA . 25283 1 27 . 1 1 7 7 ASP HB2 H 1 2.722 0.003 . . . . . A 7 ASP HB2 . 25283 1 28 . 1 1 7 7 ASP HB3 H 1 2.523 0.015 . . . . . A 7 ASP HB3 . 25283 1 29 . 1 1 8 8 SER H H 1 7.116 0.006 . . . . . A 8 SER H . 25283 1 30 . 1 1 8 8 SER HA H 1 4.743 0.019 . . . . . A 8 SER HA . 25283 1 31 . 1 1 8 8 SER HB2 H 1 3.750 0.006 . . . . . A 8 SER HB2 . 25283 1 32 . 1 1 8 8 SER HB3 H 1 3.725 0.001 . . . . . A 8 SER HB3 . 25283 1 33 . 1 1 9 9 LEU H H 1 8.759 0.023 . . . . . A 9 LEU H . 25283 1 34 . 1 1 9 9 LEU HA H 1 4.294 0.016 . . . . . A 9 LEU HA . 25283 1 35 . 1 1 9 9 LEU HB2 H 1 1.649 0.011 . . . . . A 9 LEU HB2 . 25283 1 36 . 1 1 9 9 LEU HB3 H 1 1.681 0.000 . . . . . A 9 LEU HB3 . 25283 1 37 . 1 1 9 9 LEU HD11 H 1 0.958 0.000 . . . . . A 9 LEU HD11 . 25283 1 38 . 1 1 9 9 LEU HD12 H 1 0.958 0.000 . . . . . A 9 LEU HD12 . 25283 1 39 . 1 1 9 9 LEU HD13 H 1 0.958 0.000 . . . . . A 9 LEU HD13 . 25283 1 40 . 1 1 9 9 LEU HD21 H 1 0.909 0.000 . . . . . A 9 LEU HD21 . 25283 1 41 . 1 1 9 9 LEU HD22 H 1 0.909 0.000 . . . . . A 9 LEU HD22 . 25283 1 42 . 1 1 9 9 LEU HD23 H 1 0.909 0.000 . . . . . A 9 LEU HD23 . 25283 1 43 . 1 1 10 10 ARG H H 1 8.297 0.018 . . . . . A 10 ARG H . 25283 1 44 . 1 1 10 10 ARG HA H 1 3.957 0.006 . . . . . A 10 ARG HA . 25283 1 45 . 1 1 10 10 ARG HB2 H 1 1.778 0.017 . . . . . A 10 ARG HB2 . 25283 1 46 . 1 1 10 10 ARG HB3 H 1 1.811 0.000 . . . . . A 10 ARG HB3 . 25283 1 47 . 1 1 11 11 ARG H H 1 7.563 0.023 . . . . . A 11 ARG H . 25283 1 48 . 1 1 11 11 ARG HA H 1 3.837 0.005 . . . . . A 11 ARG HA . 25283 1 49 . 1 1 11 11 ARG HB2 H 1 1.824 0.007 . . . . . A 11 ARG HB2 . 25283 1 50 . 1 1 11 11 ARG HB3 H 1 1.343 0.009 . . . . . A 11 ARG HB3 . 25283 1 51 . 1 1 12 12 GLU H H 1 8.225 0.022 . . . . . A 12 GLU H . 25283 1 52 . 1 1 12 12 GLU HA H 1 4.263 0.018 . . . . . A 12 GLU HA . 25283 1 53 . 1 1 12 12 GLU HB2 H 1 2.513 0.005 . . . . . A 12 GLU HB2 . 25283 1 54 . 1 1 12 12 GLU HB3 H 1 2.552 0.006 . . . . . A 12 GLU HB3 . 25283 1 55 . 1 1 12 12 GLU HG2 H 1 1.701 0.002 . . . . . A 12 GLU HG2 . 25283 1 56 . 1 1 12 12 GLU HG3 H 1 1.827 0.001 . . . . . A 12 GLU HG3 . 25283 1 57 . 1 1 13 13 ILE H H 1 9.074 0.016 . . . . . A 13 ILE H . 25283 1 58 . 1 1 13 13 ILE HA H 1 3.745 0.008 . . . . . A 13 ILE HA . 25283 1 59 . 1 1 13 13 ILE HB H 1 1.865 0.004 . . . . . A 13 ILE HB . 25283 1 60 . 1 1 13 13 ILE HG12 H 1 1.185 0.020 . . . . . A 13 ILE HG12 . 25283 1 61 . 1 1 13 13 ILE HG13 H 1 1.185 0.020 . . . . . A 13 ILE HG13 . 25283 1 62 . 1 1 13 13 ILE HG21 H 1 0.959 0.001 . . . . . A 13 ILE HG21 . 25283 1 63 . 1 1 13 13 ILE HG22 H 1 0.959 0.001 . . . . . A 13 ILE HG22 . 25283 1 64 . 1 1 13 13 ILE HG23 H 1 0.959 0.001 . . . . . A 13 ILE HG23 . 25283 1 65 . 1 1 13 13 ILE HD11 H 1 0.915 0.008 . . . . . A 13 ILE HD11 . 25283 1 66 . 1 1 13 13 ILE HD12 H 1 0.915 0.008 . . . . . A 13 ILE HD12 . 25283 1 67 . 1 1 13 13 ILE HD13 H 1 0.915 0.008 . . . . . A 13 ILE HD13 . 25283 1 68 . 1 1 14 14 ALA H H 1 7.961 0.020 . . . . . A 14 ALA H . 25283 1 69 . 1 1 14 14 ALA HA H 1 4.124 0.010 . . . . . A 14 ALA HA . 25283 1 70 . 1 1 14 14 ALA HB1 H 1 1.707 0.011 . . . . . A 14 ALA HB1 . 25283 1 71 . 1 1 14 14 ALA HB2 H 1 1.707 0.011 . . . . . A 14 ALA HB2 . 25283 1 72 . 1 1 14 14 ALA HB3 H 1 1.707 0.011 . . . . . A 14 ALA HB3 . 25283 1 73 . 1 1 15 15 CYS H H 1 9.032 0.025 . . . . . A 15 CYS H . 25283 1 74 . 1 1 15 15 CYS HA H 1 5.043 0.013 . . . . . A 15 CYS HA . 25283 1 75 . 1 1 15 15 CYS HB2 H 1 3.002 0.020 . . . . . A 15 CYS HB2 . 25283 1 76 . 1 1 15 15 CYS HB3 H 1 2.904 0.014 . . . . . A 15 CYS HB3 . 25283 1 77 . 1 1 16 16 THR H H 1 8.529 0.019 . . . . . A 16 THR H . 25283 1 78 . 1 1 16 16 THR HA H 1 3.960 0.008 . . . . . A 16 THR HA . 25283 1 79 . 1 1 16 16 THR HB H 1 4.546 0.007 . . . . . A 16 THR HB . 25283 1 80 . 1 1 16 16 THR HG21 H 1 1.207 0.002 . . . . . A 16 THR HG21 . 25283 1 81 . 1 1 16 16 THR HG22 H 1 1.207 0.002 . . . . . A 16 THR HG22 . 25283 1 82 . 1 1 16 16 THR HG23 H 1 1.207 0.002 . . . . . A 16 THR HG23 . 25283 1 83 . 1 1 17 17 LYS H H 1 8.074 0.014 . . . . . A 17 LYS H . 25283 1 84 . 1 1 17 17 LYS HA H 1 4.166 0.007 . . . . . A 17 LYS HA . 25283 1 85 . 1 1 17 17 LYS HB2 H 1 2.207 0.013 . . . . . A 17 LYS HB2 . 25283 1 86 . 1 1 17 17 LYS HB3 H 1 1.836 0.009 . . . . . A 17 LYS HB3 . 25283 1 87 . 1 1 17 17 LYS HG2 H 1 0.978 0.005 . . . . . A 17 LYS HG2 . 25283 1 88 . 1 1 17 17 LYS HG3 H 1 0.716 0.005 . . . . . A 17 LYS HG3 . 25283 1 89 . 1 1 17 17 LYS HD2 H 1 1.756 0.009 . . . . . A 17 LYS HD2 . 25283 1 90 . 1 1 17 17 LYS HD3 H 1 1.487 0.014 . . . . . A 17 LYS HD3 . 25283 1 91 . 1 1 18 18 CYS H H 1 9.312 0.015 . . . . . A 18 CYS H . 25283 1 92 . 1 1 18 18 CYS HA H 1 3.785 0.006 . . . . . A 18 CYS HA . 25283 1 93 . 1 1 18 18 CYS HB2 H 1 4.080 0.017 . . . . . A 18 CYS HB2 . 25283 1 94 . 1 1 18 18 CYS HB3 H 1 3.232 0.011 . . . . . A 18 CYS HB3 . 25283 1 95 . 1 1 19 19 ARG H H 1 8.724 0.015 . . . . . A 19 ARG H . 25283 1 96 . 1 1 19 19 ARG HA H 1 3.832 0.009 . . . . . A 19 ARG HA . 25283 1 97 . 1 1 19 19 ARG HB2 H 1 2.421 0.006 . . . . . A 19 ARG HB2 . 25283 1 98 . 1 1 19 19 ARG HB3 H 1 2.349 0.004 . . . . . A 19 ARG HB3 . 25283 1 99 . 1 1 19 19 ARG HG2 H 1 1.884 0.012 . . . . . A 19 ARG HG2 . 25283 1 100 . 1 1 19 19 ARG HG3 H 1 1.884 0.012 . . . . . A 19 ARG HG3 . 25283 1 101 . 1 1 20 20 ASP H H 1 7.612 0.011 . . . . . A 20 ASP H . 25283 1 102 . 1 1 20 20 ASP HA H 1 4.485 0.002 . . . . . A 20 ASP HA . 25283 1 103 . 1 1 20 20 ASP HB2 H 1 2.805 0.018 . . . . . A 20 ASP HB2 . 25283 1 104 . 1 1 20 20 ASP HB3 H 1 2.853 0.000 . . . . . A 20 ASP HB3 . 25283 1 105 . 1 1 21 21 ARG H H 1 7.375 0.004 . . . . . A 21 ARG H . 25283 1 106 . 1 1 21 21 ARG HA H 1 4.304 0.004 . . . . . A 21 ARG HA . 25283 1 107 . 1 1 21 21 ARG HB2 H 1 1.864 0.003 . . . . . A 21 ARG HB2 . 25283 1 108 . 1 1 21 21 ARG HB3 H 1 1.699 0.003 . . . . . A 21 ARG HB3 . 25283 1 109 . 1 1 22 22 VAL H H 1 7.818 0.019 . . . . . A 22 VAL H . 25283 1 110 . 1 1 22 22 VAL HA H 1 3.789 0.012 . . . . . A 22 VAL HA . 25283 1 111 . 1 1 22 22 VAL HB H 1 1.246 0.013 . . . . . A 22 VAL HB . 25283 1 112 . 1 1 22 22 VAL HG11 H 1 0.806 0.015 . . . . . A 22 VAL HG11 . 25283 1 113 . 1 1 22 22 VAL HG12 H 1 0.806 0.015 . . . . . A 22 VAL HG12 . 25283 1 114 . 1 1 22 22 VAL HG13 H 1 0.806 0.015 . . . . . A 22 VAL HG13 . 25283 1 115 . 1 1 22 22 VAL HG21 H 1 0.467 0.005 . . . . . A 22 VAL HG21 . 25283 1 116 . 1 1 22 22 VAL HG22 H 1 0.467 0.005 . . . . . A 22 VAL HG22 . 25283 1 117 . 1 1 22 22 VAL HG23 H 1 0.467 0.005 . . . . . A 22 VAL HG23 . 25283 1 118 . 1 1 23 23 ARG H H 1 8.440 0.017 . . . . . A 23 ARG H . 25283 1 119 . 1 1 23 23 ARG HA H 1 4.068 0.017 . . . . . A 23 ARG HA . 25283 1 120 . 1 1 23 23 ARG HB2 H 1 1.508 0.006 . . . . . A 23 ARG HB2 . 25283 1 121 . 1 1 23 23 ARG HB3 H 1 1.361 0.016 . . . . . A 23 ARG HB3 . 25283 1 122 . 1 1 23 23 ARG HG2 H 1 1.952 0.000 . . . . . A 23 ARG HG2 . 25283 1 123 . 1 1 23 23 ARG HG3 H 1 1.868 0.000 . . . . . A 23 ARG HG3 . 25283 1 124 . 1 1 23 23 ARG HD2 H 1 3.157 0.003 . . . . . A 23 ARG HD2 . 25283 1 125 . 1 1 23 23 ARG HD3 H 1 3.157 0.003 . . . . . A 23 ARG HD3 . 25283 1 126 . 1 1 24 24 THR H H 1 7.101 0.009 . . . . . A 24 THR H . 25283 1 127 . 1 1 24 24 THR HA H 1 4.593 0.007 . . . . . A 24 THR HA . 25283 1 128 . 1 1 24 24 THR HB H 1 4.408 0.019 . . . . . A 24 THR HB . 25283 1 129 . 1 1 25 25 ASP H H 1 8.938 0.022 . . . . . A 25 ASP H . 25283 1 130 . 1 1 25 25 ASP HA H 1 4.448 0.008 . . . . . A 25 ASP HA . 25283 1 131 . 1 1 25 25 ASP HB2 H 1 2.683 0.004 . . . . . A 25 ASP HB2 . 25283 1 132 . 1 1 25 25 ASP HB3 H 1 2.683 0.004 . . . . . A 25 ASP HB3 . 25283 1 133 . 1 1 26 26 ASP H H 1 8.846 0.017 . . . . . A 26 ASP H . 25283 1 134 . 1 1 26 26 ASP HA H 1 4.795 0.015 . . . . . A 26 ASP HA . 25283 1 135 . 1 1 26 26 ASP HB2 H 1 2.972 0.007 . . . . . A 26 ASP HB2 . 25283 1 136 . 1 1 26 26 ASP HB3 H 1 2.764 0.005 . . . . . A 26 ASP HB3 . 25283 1 137 . 1 1 27 27 TYR H H 1 7.545 0.012 . . . . . A 27 TYR H . 25283 1 138 . 1 1 27 27 TYR HA H 1 3.757 0.011 . . . . . A 27 TYR HA . 25283 1 139 . 1 1 27 27 TYR HB2 H 1 3.376 0.010 . . . . . A 27 TYR HB2 . 25283 1 140 . 1 1 27 27 TYR HB3 H 1 2.720 0.008 . . . . . A 27 TYR HB3 . 25283 1 141 . 1 1 28 28 PHE H H 1 9.120 0.021 . . . . . A 28 PHE H . 25283 1 142 . 1 1 28 28 PHE HA H 1 3.884 0.010 . . . . . A 28 PHE HA . 25283 1 143 . 1 1 28 28 PHE HB2 H 1 3.123 0.009 . . . . . A 28 PHE HB2 . 25283 1 144 . 1 1 28 28 PHE HB3 H 1 3.087 0.006 . . . . . A 28 PHE HB3 . 25283 1 145 . 1 1 28 28 PHE HD1 H 1 6.827 0.001 . . . . . A 28 PHE HD1 . 25283 1 146 . 1 1 28 28 PHE HD2 H 1 6.827 0.001 . . . . . A 28 PHE HD2 . 25283 1 147 . 1 1 28 28 PHE HE1 H 1 6.773 0.001 . . . . . A 28 PHE HE1 . 25283 1 148 . 1 1 28 28 PHE HE2 H 1 6.773 0.001 . . . . . A 28 PHE HE2 . 25283 1 149 . 1 1 29 29 TYR H H 1 8.282 0.016 . . . . . A 29 TYR H . 25283 1 150 . 1 1 29 29 TYR HA H 1 3.820 0.014 . . . . . A 29 TYR HA . 25283 1 151 . 1 1 29 29 TYR HB2 H 1 3.131 0.007 . . . . . A 29 TYR HB2 . 25283 1 152 . 1 1 29 29 TYR HB3 H 1 2.851 0.011 . . . . . A 29 TYR HB3 . 25283 1 153 . 1 1 30 30 GLU H H 1 7.690 0.004 . . . . . A 30 GLU H . 25283 1 154 . 1 1 30 30 GLU HA H 1 3.571 0.016 . . . . . A 30 GLU HA . 25283 1 155 . 1 1 30 30 GLU HB2 H 1 1.979 0.013 . . . . . A 30 GLU HB2 . 25283 1 156 . 1 1 30 30 GLU HB3 H 1 2.003 0.000 . . . . . A 30 GLU HB3 . 25283 1 157 . 1 1 30 30 GLU HG2 H 1 2.500 0.012 . . . . . A 30 GLU HG2 . 25283 1 158 . 1 1 30 30 GLU HG3 H 1 2.292 0.000 . . . . . A 30 GLU HG3 . 25283 1 159 . 1 1 31 31 CYS H H 1 8.820 0.019 . . . . . A 31 CYS H . 25283 1 160 . 1 1 31 31 CYS HA H 1 3.594 0.010 . . . . . A 31 CYS HA . 25283 1 161 . 1 1 31 31 CYS HB2 H 1 2.957 0.014 . . . . . A 31 CYS HB2 . 25283 1 162 . 1 1 31 31 CYS HB3 H 1 2.339 0.011 . . . . . A 31 CYS HB3 . 25283 1 163 . 1 1 32 32 CYS H H 1 8.097 0.015 . . . . . A 32 CYS H . 25283 1 164 . 1 1 32 32 CYS HA H 1 3.855 0.011 . . . . . A 32 CYS HA . 25283 1 165 . 1 1 32 32 CYS HB2 H 1 3.086 0.009 . . . . . A 32 CYS HB2 . 25283 1 166 . 1 1 32 32 CYS HB3 H 1 2.511 0.007 . . . . . A 32 CYS HB3 . 25283 1 167 . 1 1 33 33 THR H H 1 7.165 0.006 . . . . . A 33 THR H . 25283 1 168 . 1 1 33 33 THR HA H 1 4.551 0.002 . . . . . A 33 THR HA . 25283 1 169 . 1 1 33 33 THR HB H 1 3.802 0.002 . . . . . A 33 THR HB . 25283 1 170 . 1 1 34 34 SER H H 1 8.339 0.008 . . . . . A 34 SER H . 25283 1 171 . 1 1 34 34 SER HA H 1 4.902 0.005 . . . . . A 34 SER HA . 25283 1 172 . 1 1 34 34 SER HB2 H 1 4.003 0.011 . . . . . A 34 SER HB2 . 25283 1 173 . 1 1 34 34 SER HB3 H 1 3.839 0.005 . . . . . A 34 SER HB3 . 25283 1 174 . 1 1 35 35 GLU H H 1 9.263 0.020 . . . . . A 35 GLU H . 25283 1 175 . 1 1 35 35 GLU HA H 1 4.172 0.008 . . . . . A 35 GLU HA . 25283 1 176 . 1 1 35 35 GLU HB2 H 1 2.140 0.002 . . . . . A 35 GLU HB2 . 25283 1 177 . 1 1 35 35 GLU HB3 H 1 2.484 0.007 . . . . . A 35 GLU HB3 . 25283 1 178 . 1 1 35 35 GLU HG2 H 1 2.491 0.001 . . . . . A 35 GLU HG2 . 25283 1 179 . 1 1 35 35 GLU HG3 H 1 2.140 0.001 . . . . . A 35 GLU HG3 . 25283 1 180 . 1 1 36 36 SER H H 1 8.468 0.015 . . . . . A 36 SER H . 25283 1 181 . 1 1 36 36 SER HA H 1 3.859 0.007 . . . . . A 36 SER HA . 25283 1 182 . 1 1 36 36 SER HB2 H 1 4.176 0.000 . . . . . A 36 SER HB2 . 25283 1 183 . 1 1 36 36 SER HB3 H 1 4.176 0.000 . . . . . A 36 SER HB3 . 25283 1 184 . 1 1 37 37 THR H H 1 7.770 0.018 . . . . . A 37 THR H . 25283 1 185 . 1 1 37 37 THR HA H 1 3.899 0.012 . . . . . A 37 THR HA . 25283 1 186 . 1 1 37 37 THR HB H 1 3.604 0.010 . . . . . A 37 THR HB . 25283 1 187 . 1 1 37 37 THR HG21 H 1 0.945 0.022 . . . . . A 37 THR HG21 . 25283 1 188 . 1 1 37 37 THR HG22 H 1 0.945 0.022 . . . . . A 37 THR HG22 . 25283 1 189 . 1 1 37 37 THR HG23 H 1 0.945 0.022 . . . . . A 37 THR HG23 . 25283 1 190 . 1 1 38 38 PHE H H 1 8.408 0.018 . . . . . A 38 PHE H . 25283 1 191 . 1 1 38 38 PHE HA H 1 4.614 0.008 . . . . . A 38 PHE HA . 25283 1 192 . 1 1 38 38 PHE HB2 H 1 3.803 0.010 . . . . . A 38 PHE HB2 . 25283 1 193 . 1 1 38 38 PHE HB3 H 1 2.941 0.011 . . . . . A 38 PHE HB3 . 25283 1 194 . 1 1 39 39 LYS H H 1 8.595 0.012 . . . . . A 39 LYS H . 25283 1 195 . 1 1 39 39 LYS HA H 1 3.789 0.010 . . . . . A 39 LYS HA . 25283 1 196 . 1 1 39 39 LYS HB2 H 1 1.869 0.006 . . . . . A 39 LYS HB2 . 25283 1 197 . 1 1 39 39 LYS HB3 H 1 1.610 0.013 . . . . . A 39 LYS HB3 . 25283 1 198 . 1 1 40 40 LYS H H 1 7.505 0.020 . . . . . A 40 LYS H . 25283 1 199 . 1 1 40 40 LYS HA H 1 4.050 0.009 . . . . . A 40 LYS HA . 25283 1 200 . 1 1 40 40 LYS HB2 H 1 1.972 0.012 . . . . . A 40 LYS HB2 . 25283 1 201 . 1 1 40 40 LYS HB3 H 1 1.655 0.010 . . . . . A 40 LYS HB3 . 25283 1 202 . 1 1 41 41 CYS H H 1 8.204 0.019 . . . . . A 41 CYS H . 25283 1 203 . 1 1 41 41 CYS HA H 1 4.676 0.005 . . . . . A 41 CYS HA . 25283 1 204 . 1 1 41 41 CYS HB2 H 1 3.858 0.014 . . . . . A 41 CYS HB2 . 25283 1 205 . 1 1 41 41 CYS HB3 H 1 3.238 0.017 . . . . . A 41 CYS HB3 . 25283 1 206 . 1 1 42 42 GLN H H 1 8.267 0.019 . . . . . A 42 GLN H . 25283 1 207 . 1 1 42 42 GLN HA H 1 3.727 0.015 . . . . . A 42 GLN HA . 25283 1 208 . 1 1 42 42 GLN HB2 H 1 1.931 0.012 . . . . . A 42 GLN HB2 . 25283 1 209 . 1 1 42 42 GLN HB3 H 1 1.811 0.012 . . . . . A 42 GLN HB3 . 25283 1 210 . 1 1 42 42 GLN HG2 H 1 1.608 0.005 . . . . . A 42 GLN HG2 . 25283 1 211 . 1 1 42 42 GLN HG3 H 1 1.608 0.005 . . . . . A 42 GLN HG3 . 25283 1 212 . 1 1 43 43 THR H H 1 7.858 0.015 . . . . . A 43 THR H . 25283 1 213 . 1 1 43 43 THR HA H 1 4.210 0.010 . . . . . A 43 THR HA . 25283 1 214 . 1 1 43 43 THR HB H 1 3.937 0.011 . . . . . A 43 THR HB . 25283 1 215 . 1 1 43 43 THR HG21 H 1 1.213 0.001 . . . . . A 43 THR HG21 . 25283 1 216 . 1 1 43 43 THR HG22 H 1 1.213 0.001 . . . . . A 43 THR HG22 . 25283 1 217 . 1 1 43 43 THR HG23 H 1 1.213 0.001 . . . . . A 43 THR HG23 . 25283 1 218 . 1 1 44 44 MET H H 1 8.002 0.020 . . . . . A 44 MET H . 25283 1 219 . 1 1 44 44 MET HA H 1 4.160 0.008 . . . . . A 44 MET HA . 25283 1 220 . 1 1 44 44 MET HB2 H 1 2.381 0.011 . . . . . A 44 MET HB2 . 25283 1 221 . 1 1 44 44 MET HB3 H 1 2.231 0.013 . . . . . A 44 MET HB3 . 25283 1 222 . 1 1 44 44 MET HG2 H 1 2.808 0.001 . . . . . A 44 MET HG2 . 25283 1 223 . 1 1 44 44 MET HG3 H 1 2.808 0.001 . . . . . A 44 MET HG3 . 25283 1 224 . 1 1 45 45 LEU H H 1 7.721 0.021 . . . . . A 45 LEU H . 25283 1 225 . 1 1 45 45 LEU HA H 1 4.179 0.008 . . . . . A 45 LEU HA . 25283 1 226 . 1 1 45 45 LEU HB2 H 1 1.687 0.007 . . . . . A 45 LEU HB2 . 25283 1 227 . 1 1 45 45 LEU HB3 H 1 1.503 0.006 . . . . . A 45 LEU HB3 . 25283 1 228 . 1 1 45 45 LEU HG H 1 1.924 0.006 . . . . . A 45 LEU HG . 25283 1 229 . 1 1 45 45 LEU HD11 H 1 0.983 0.002 . . . . . A 45 LEU HD11 . 25283 1 230 . 1 1 45 45 LEU HD12 H 1 0.983 0.002 . . . . . A 45 LEU HD12 . 25283 1 231 . 1 1 45 45 LEU HD13 H 1 0.983 0.002 . . . . . A 45 LEU HD13 . 25283 1 232 . 1 1 45 45 LEU HD21 H 1 0.714 0.003 . . . . . A 45 LEU HD21 . 25283 1 233 . 1 1 45 45 LEU HD22 H 1 0.714 0.003 . . . . . A 45 LEU HD22 . 25283 1 234 . 1 1 45 45 LEU HD23 H 1 0.714 0.003 . . . . . A 45 LEU HD23 . 25283 1 235 . 1 1 46 46 HIS H H 1 7.709 0.004 . . . . . A 46 HIS H . 25283 1 236 . 1 1 46 46 HIS HA H 1 4.526 0.014 . . . . . A 46 HIS HA . 25283 1 237 . 1 1 46 46 HIS HB2 H 1 3.362 0.017 . . . . . A 46 HIS HB2 . 25283 1 238 . 1 1 46 46 HIS HB3 H 1 3.278 0.011 . . . . . A 46 HIS HB3 . 25283 1 239 . 1 1 47 47 GLN H H 1 7.889 0.006 . . . . . A 47 GLN H . 25283 1 240 . 1 1 47 47 GLN HB2 H 1 2.108 0.003 . . . . . A 47 GLN HB2 . 25283 1 241 . 1 1 47 47 GLN HB3 H 1 1.893 0.012 . . . . . A 47 GLN HB3 . 25283 1 242 . 1 1 47 47 GLN HG2 H 1 2.325 0.010 . . . . . A 47 GLN HG2 . 25283 1 243 . 1 1 47 47 GLN HG3 H 1 2.325 0.010 . . . . . A 47 GLN HG3 . 25283 1 stop_ save_