################################### # 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 17731 _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 NOESY' . . . 17731 1 2 '2D DQF-COSY' . . . 17731 1 3 '2D 1H-1H TOCSY' . . . 17731 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 LEU HA H 1 4.355 0.001 . . . . . A 2 LEU HA . 17731 1 2 . 1 1 2 2 LEU HB2 H 1 1.65 0 . . . . . A 2 LEU HB2 . 17731 1 3 . 1 1 2 2 LEU HB3 H 1 1.65 0 . . . . . A 2 LEU HB3 . 17731 1 4 . 1 1 2 2 LEU HG H 1 1.566 0 . . . . . A 2 LEU HG . 17731 1 5 . 1 1 2 2 LEU HD11 H 1 0.925 0 . . . . . A 2 LEU HD11 . 17731 1 6 . 1 1 2 2 LEU HD12 H 1 0.925 0 . . . . . A 2 LEU HD12 . 17731 1 7 . 1 1 2 2 LEU HD13 H 1 0.925 0 . . . . . A 2 LEU HD13 . 17731 1 8 . 1 1 2 2 LEU HD21 H 1 0.879 0 . . . . . A 2 LEU HD21 . 17731 1 9 . 1 1 2 2 LEU HD22 H 1 0.879 0 . . . . . A 2 LEU HD22 . 17731 1 10 . 1 1 2 2 LEU HD23 H 1 0.879 0 . . . . . A 2 LEU HD23 . 17731 1 11 . 1 1 3 3 LEU H H 1 8.341 0.002 . . . . . A 3 LEU H . 17731 1 12 . 1 1 3 3 LEU HA H 1 4.406 0.003 . . . . . A 3 LEU HA . 17731 1 13 . 1 1 3 3 LEU HB2 H 1 1.651 0.027 . . . . . A 3 LEU HB2 . 17731 1 14 . 1 1 3 3 LEU HB3 H 1 1.651 0.027 . . . . . A 3 LEU HB3 . 17731 1 15 . 1 1 3 3 LEU HG H 1 1.625 0 . . . . . A 3 LEU HG . 17731 1 16 . 1 1 3 3 LEU HD11 H 1 0.939 0 . . . . . A 3 LEU HD11 . 17731 1 17 . 1 1 3 3 LEU HD12 H 1 0.939 0 . . . . . A 3 LEU HD12 . 17731 1 18 . 1 1 3 3 LEU HD13 H 1 0.939 0 . . . . . A 3 LEU HD13 . 17731 1 19 . 1 1 3 3 LEU HD21 H 1 0.882 0 . . . . . A 3 LEU HD21 . 17731 1 20 . 1 1 3 3 LEU HD22 H 1 0.882 0 . . . . . A 3 LEU HD22 . 17731 1 21 . 1 1 3 3 LEU HD23 H 1 0.882 0 . . . . . A 3 LEU HD23 . 17731 1 22 . 1 1 4 4 CYS H H 1 7.946 0.002 . . . . . A 4 CYS H . 17731 1 23 . 1 1 4 4 CYS HA H 1 5.096 0.007 . . . . . A 4 CYS HA . 17731 1 24 . 1 1 4 4 CYS HB2 H 1 3.12 0.002 . . . . . A 4 CYS HB2 . 17731 1 25 . 1 1 4 4 CYS HB3 H 1 1.987 0.003 . . . . . A 4 CYS HB3 . 17731 1 26 . 1 1 5 5 TYR H H 1 8.663 0.002 . . . . . A 5 TYR H . 17731 1 27 . 1 1 5 5 TYR HA H 1 4.836 0 . . . . . A 5 TYR HA . 17731 1 28 . 1 1 5 5 TYR HB2 H 1 2.969 0.002 . . . . . A 5 TYR HB2 . 17731 1 29 . 1 1 5 5 TYR HB3 H 1 2.825 0.002 . . . . . A 5 TYR HB3 . 17731 1 30 . 1 1 5 5 TYR HD1 H 1 6.919 0.003 . . . . . A 5 TYR HD1 . 17731 1 31 . 1 1 5 5 TYR HD2 H 1 6.919 0.003 . . . . . A 5 TYR HD2 . 17731 1 32 . 1 1 5 5 TYR HE1 H 1 6.589 0.002 . . . . . A 5 TYR HE1 . 17731 1 33 . 1 1 5 5 TYR HE2 H 1 6.589 0.002 . . . . . A 5 TYR HE2 . 17731 1 34 . 1 1 6 6 CYS H H 1 8.942 0 . . . . . A 6 CYS H . 17731 1 35 . 1 1 6 6 CYS HA H 1 5.781 0.006 . . . . . A 6 CYS HA . 17731 1 36 . 1 1 6 6 CYS HB2 H 1 3.044 0.007 . . . . . A 6 CYS HB2 . 17731 1 37 . 1 1 6 6 CYS HB3 H 1 2.902 0.009 . . . . . A 6 CYS HB3 . 17731 1 38 . 1 1 7 7 ARG H H 1 9.828 0.002 . . . . . A 7 ARG H . 17731 1 39 . 1 1 7 7 ARG HA H 1 4.738 0.005 . . . . . A 7 ARG HA . 17731 1 40 . 1 1 7 7 ARG HB2 H 1 1.865 0.003 . . . . . A 7 ARG HB2 . 17731 1 41 . 1 1 7 7 ARG HB3 H 1 1.748 0.002 . . . . . A 7 ARG HB3 . 17731 1 42 . 1 1 7 7 ARG HG2 H 1 1.997 0.002 . . . . . A 7 ARG HG2 . 17731 1 43 . 1 1 7 7 ARG HG3 H 1 1.997 0.002 . . . . . A 7 ARG HG3 . 17731 1 44 . 1 1 7 7 ARG HD2 H 1 3.469 0 . . . . . A 7 ARG HD2 . 17731 1 45 . 1 1 7 7 ARG HD3 H 1 3.191 0 . . . . . A 7 ARG HD3 . 17731 1 46 . 1 1 8 8 LYS H H 1 8.639 0.001 . . . . . A 8 LYS H . 17731 1 47 . 1 1 8 8 LYS HA H 1 3.882 0.005 . . . . . A 8 LYS HA . 17731 1 48 . 1 1 8 8 LYS HB2 H 1 1.505 0.002 . . . . . A 8 LYS HB2 . 17731 1 49 . 1 1 8 8 LYS HB3 H 1 1.154 0.002 . . . . . A 8 LYS HB3 . 17731 1 50 . 1 1 8 8 LYS HG2 H 1 1.006 0.002 . . . . . A 8 LYS HG2 . 17731 1 51 . 1 1 8 8 LYS HG3 H 1 1.006 0.002 . . . . . A 8 LYS HG3 . 17731 1 52 . 1 1 8 8 LYS HD2 H 1 1.461 0.005 . . . . . A 8 LYS HD2 . 17731 1 53 . 1 1 8 8 LYS HD3 H 1 1.461 0.005 . . . . . A 8 LYS HD3 . 17731 1 54 . 1 1 8 8 LYS HE2 H 1 2.813 0.002 . . . . . A 8 LYS HE2 . 17731 1 55 . 1 1 8 8 LYS HE3 H 1 2.813 0.002 . . . . . A 8 LYS HE3 . 17731 1 56 . 1 1 9 9 GLY H H 1 8.781 0.002 . . . . . A 9 GLY H . 17731 1 57 . 1 1 9 9 GLY HA2 H 1 4.237 0 . . . . . A 9 GLY HA2 . 17731 1 58 . 1 1 9 9 GLY HA3 H 1 3.332 0.002 . . . . . A 9 GLY HA3 . 17731 1 59 . 1 1 10 10 HIS H H 1 8.076 0.002 . . . . . A 10 HIS H . 17731 1 60 . 1 1 10 10 HIS HA H 1 4.545 0.003 . . . . . A 10 HIS HA . 17731 1 61 . 1 1 10 10 HIS HB2 H 1 3.258 0.002 . . . . . A 10 HIS HB2 . 17731 1 62 . 1 1 10 10 HIS HB3 H 1 2.885 0.002 . . . . . A 10 HIS HB3 . 17731 1 63 . 1 1 11 11 CYS H H 1 8.854 0 . . . . . A 11 CYS H . 17731 1 64 . 1 1 11 11 CYS HA H 1 4.842 0 . . . . . A 11 CYS HA . 17731 1 65 . 1 1 11 11 CYS HB2 H 1 3.196 0.002 . . . . . A 11 CYS HB2 . 17731 1 66 . 1 1 11 11 CYS HB3 H 1 2.597 0.002 . . . . . A 11 CYS HB3 . 17731 1 67 . 1 1 12 12 LYS H H 1 7.967 0 . . . . . A 12 LYS H . 17731 1 68 . 1 1 12 12 LYS HA H 1 4.34 0.059 . . . . . A 12 LYS HA . 17731 1 69 . 1 1 12 12 LYS HB2 H 1 1.886 0.003 . . . . . A 12 LYS HB2 . 17731 1 70 . 1 1 12 12 LYS HB3 H 1 1.666 0.003 . . . . . A 12 LYS HB3 . 17731 1 71 . 1 1 12 12 LYS HG2 H 1 1.369 0.004 . . . . . A 12 LYS HG2 . 17731 1 72 . 1 1 12 12 LYS HG3 H 1 1.306 0.005 . . . . . A 12 LYS HG3 . 17731 1 73 . 1 1 12 12 LYS HD2 H 1 1.53 0.004 . . . . . A 12 LYS HD2 . 17731 1 74 . 1 1 12 12 LYS HD3 H 1 1.44 0.004 . . . . . A 12 LYS HD3 . 17731 1 75 . 1 1 12 12 LYS HE2 H 1 2.614 0.004 . . . . . A 12 LYS HE2 . 17731 1 76 . 1 1 12 12 LYS HE3 H 1 2.614 0.004 . . . . . A 12 LYS HE3 . 17731 1 77 . 1 1 13 13 ARG H H 1 8.47 0 . . . . . A 13 ARG H . 17731 1 78 . 1 1 13 13 ARG HA H 1 4.048 0.012 . . . . . A 13 ARG HA . 17731 1 79 . 1 1 13 13 ARG HB2 H 1 1.82 0 . . . . . A 13 ARG HB2 . 17731 1 80 . 1 1 13 13 ARG HB3 H 1 1.76 0 . . . . . A 13 ARG HB3 . 17731 1 81 . 1 1 13 13 ARG HG2 H 1 1.7 0 . . . . . A 13 ARG HG2 . 17731 1 82 . 1 1 13 13 ARG HG3 H 1 1.597 0 . . . . . A 13 ARG HG3 . 17731 1 83 . 1 1 14 14 GLY HA2 H 1 4.293 0 . . . . . A 14 GLY HA2 . 17731 1 84 . 1 1 14 14 GLY HA3 H 1 3.73 0.003 . . . . . A 14 GLY HA3 . 17731 1 85 . 1 1 15 15 GLY H H 1 8.385 0 . . . . . A 15 GLY H . 17731 1 86 . 1 1 15 15 GLY HA2 H 1 4.39 0.002 . . . . . A 15 GLY HA2 . 17731 1 87 . 1 1 15 15 GLY HA3 H 1 3.387 0.001 . . . . . A 15 GLY HA3 . 17731 1 88 . 1 1 16 16 ARG H H 1 8.855 0.002 . . . . . A 16 ARG H . 17731 1 89 . 1 1 16 16 ARG HA H 1 4.701 0.003 . . . . . A 16 ARG HA . 17731 1 90 . 1 1 16 16 ARG HB2 H 1 1.715 0 . . . . . A 16 ARG HB2 . 17731 1 91 . 1 1 16 16 ARG HB3 H 1 1.715 0 . . . . . A 16 ARG HB3 . 17731 1 92 . 1 1 16 16 ARG HG2 H 1 1.558 0.002 . . . . . A 16 ARG HG2 . 17731 1 93 . 1 1 16 16 ARG HG3 H 1 1.558 0.002 . . . . . A 16 ARG HG3 . 17731 1 94 . 1 1 17 17 VAL H H 1 8.749 0.002 . . . . . A 17 VAL H . 17731 1 95 . 1 1 17 17 VAL HA H 1 4.065 0.001 . . . . . A 17 VAL HA . 17731 1 96 . 1 1 17 17 VAL HB H 1 2.1 0.004 . . . . . A 17 VAL HB . 17731 1 97 . 1 1 17 17 VAL HG11 H 1 1.171 0.002 . . . . . A 17 VAL HG11 . 17731 1 98 . 1 1 17 17 VAL HG12 H 1 1.171 0.002 . . . . . A 17 VAL HG12 . 17731 1 99 . 1 1 17 17 VAL HG13 H 1 1.171 0.002 . . . . . A 17 VAL HG13 . 17731 1 100 . 1 1 17 17 VAL HG21 H 1 1.118 0.002 . . . . . A 17 VAL HG21 . 17731 1 101 . 1 1 17 17 VAL HG22 H 1 1.118 0.002 . . . . . A 17 VAL HG22 . 17731 1 102 . 1 1 17 17 VAL HG23 H 1 1.118 0.002 . . . . . A 17 VAL HG23 . 17731 1 103 . 1 1 18 18 ARG H H 1 9.5 0.001 . . . . . A 18 ARG H . 17731 1 104 . 1 1 18 18 ARG HA H 1 4.7 0.005 . . . . . A 18 ARG HA . 17731 1 105 . 1 1 18 18 ARG HB2 H 1 2.118 0.004 . . . . . A 18 ARG HB2 . 17731 1 106 . 1 1 18 18 ARG HB3 H 1 2.118 0.004 . . . . . A 18 ARG HB3 . 17731 1 107 . 1 1 18 18 ARG HG2 H 1 1.558 0.006 . . . . . A 18 ARG HG2 . 17731 1 108 . 1 1 18 18 ARG HG3 H 1 1.558 0.006 . . . . . A 18 ARG HG3 . 17731 1 109 . 1 1 18 18 ARG HD2 H 1 3.193 0.005 . . . . . A 18 ARG HD2 . 17731 1 110 . 1 1 18 18 ARG HD3 H 1 3.193 0.005 . . . . . A 18 ARG HD3 . 17731 1 111 . 1 1 19 19 GLY H H 1 7.821 0.002 . . . . . A 19 GLY H . 17731 1 112 . 1 1 19 19 GLY HA2 H 1 4.438 0.002 . . . . . A 19 GLY HA2 . 17731 1 113 . 1 1 19 19 GLY HA3 H 1 4.102 0.003 . . . . . A 19 GLY HA3 . 17731 1 114 . 1 1 20 20 THR H H 1 8.608 0 . . . . . A 20 THR H . 17731 1 115 . 1 1 20 20 THR HA H 1 5.065 0 . . . . . A 20 THR HA . 17731 1 116 . 1 1 20 20 THR HB H 1 4.417 0 . . . . . A 20 THR HB . 17731 1 117 . 1 1 20 20 THR HG21 H 1 1.205 0 . . . . . A 20 THR HG21 . 17731 1 118 . 1 1 20 20 THR HG22 H 1 1.205 0 . . . . . A 20 THR HG22 . 17731 1 119 . 1 1 20 20 THR HG23 H 1 1.205 0 . . . . . A 20 THR HG23 . 17731 1 120 . 1 1 21 21 CYS H H 1 8.159 0.002 . . . . . A 21 CYS H . 17731 1 121 . 1 1 21 21 CYS HA H 1 4.874 0 . . . . . A 21 CYS HA . 17731 1 122 . 1 1 21 21 CYS HB2 H 1 3.267 0.001 . . . . . A 21 CYS HB2 . 17731 1 123 . 1 1 21 21 CYS HB3 H 1 3.267 0.001 . . . . . A 21 CYS HB3 . 17731 1 124 . 1 1 22 22 GLY H H 1 8.319 0.002 . . . . . A 22 GLY H . 17731 1 125 . 1 1 22 22 GLY HA2 H 1 3.97 0.001 . . . . . A 22 GLY HA2 . 17731 1 126 . 1 1 22 22 GLY HA3 H 1 3.774 0.002 . . . . . A 22 GLY HA3 . 17731 1 127 . 1 1 23 23 ILE H H 1 8.145 0 . . . . . A 23 ILE H . 17731 1 128 . 1 1 23 23 ILE HA H 1 4.028 0 . . . . . A 23 ILE HA . 17731 1 129 . 1 1 23 23 ILE HB H 1 1.865 0 . . . . . A 23 ILE HB . 17731 1 130 . 1 1 23 23 ILE HG12 H 1 1.166 0 . . . . . A 23 ILE HG12 . 17731 1 131 . 1 1 23 23 ILE HG13 H 1 1.466 0 . . . . . A 23 ILE HG13 . 17731 1 132 . 1 1 23 23 ILE HG21 H 1 0.91 0 . . . . . A 23 ILE HG21 . 17731 1 133 . 1 1 23 23 ILE HG22 H 1 0.91 0 . . . . . A 23 ILE HG22 . 17731 1 134 . 1 1 23 23 ILE HG23 H 1 0.91 0 . . . . . A 23 ILE HG23 . 17731 1 135 . 1 1 23 23 ILE HD11 H 1 0.848 0 . . . . . A 23 ILE HD11 . 17731 1 136 . 1 1 23 23 ILE HD12 H 1 0.848 0 . . . . . A 23 ILE HD12 . 17731 1 137 . 1 1 23 23 ILE HD13 H 1 0.848 0 . . . . . A 23 ILE HD13 . 17731 1 138 . 1 1 24 24 ARG H H 1 8.457 0.01 . . . . . A 24 ARG H . 17731 1 139 . 1 1 24 24 ARG HA H 1 3.991 0 . . . . . A 24 ARG HA . 17731 1 140 . 1 1 24 24 ARG HB2 H 1 1.857 0 . . . . . A 24 ARG HB2 . 17731 1 141 . 1 1 24 24 ARG HB3 H 1 1.857 0 . . . . . A 24 ARG HB3 . 17731 1 142 . 1 1 24 24 ARG HG2 H 1 1.55 0 . . . . . A 24 ARG HG2 . 17731 1 143 . 1 1 24 24 ARG HG3 H 1 1.55 0 . . . . . A 24 ARG HG3 . 17731 1 144 . 1 1 24 24 ARG HD2 H 1 3.155 0.014 . . . . . A 24 ARG HD2 . 17731 1 145 . 1 1 24 24 ARG HD3 H 1 3.155 0.014 . . . . . A 24 ARG HD3 . 17731 1 146 . 1 1 25 25 PHE H H 1 7.854 0.002 . . . . . A 25 PHE H . 17731 1 147 . 1 1 25 25 PHE HA H 1 4.904 0 . . . . . A 25 PHE HA . 17731 1 148 . 1 1 25 25 PHE HB2 H 1 2.968 0.002 . . . . . A 25 PHE HB2 . 17731 1 149 . 1 1 25 25 PHE HB3 H 1 2.916 0.002 . . . . . A 25 PHE HB3 . 17731 1 150 . 1 1 25 25 PHE HD1 H 1 7.137 0.002 . . . . . A 25 PHE HD1 . 17731 1 151 . 1 1 25 25 PHE HD2 H 1 7.137 0.002 . . . . . A 25 PHE HD2 . 17731 1 152 . 1 1 25 25 PHE HE1 H 1 7.387 0.002 . . . . . A 25 PHE HE1 . 17731 1 153 . 1 1 25 25 PHE HE2 H 1 7.387 0.002 . . . . . A 25 PHE HE2 . 17731 1 154 . 1 1 25 25 PHE HZ H 1 7.357 0.002 . . . . . A 25 PHE HZ . 17731 1 155 . 1 1 26 26 LEU H H 1 8.983 0.002 . . . . . A 26 LEU H . 17731 1 156 . 1 1 26 26 LEU HA H 1 4.635 0.003 . . . . . A 26 LEU HA . 17731 1 157 . 1 1 26 26 LEU HB2 H 1 1.802 0.002 . . . . . A 26 LEU HB2 . 17731 1 158 . 1 1 26 26 LEU HB3 H 1 1.359 0.002 . . . . . A 26 LEU HB3 . 17731 1 159 . 1 1 26 26 LEU HG H 1 1.671 0.002 . . . . . A 26 LEU HG . 17731 1 160 . 1 1 26 26 LEU HD11 H 1 0.836 0.003 . . . . . A 26 LEU HD11 . 17731 1 161 . 1 1 26 26 LEU HD12 H 1 0.836 0.003 . . . . . A 26 LEU HD12 . 17731 1 162 . 1 1 26 26 LEU HD13 H 1 0.836 0.003 . . . . . A 26 LEU HD13 . 17731 1 163 . 1 1 26 26 LEU HD21 H 1 0.783 0.002 . . . . . A 26 LEU HD21 . 17731 1 164 . 1 1 26 26 LEU HD22 H 1 0.783 0.002 . . . . . A 26 LEU HD22 . 17731 1 165 . 1 1 26 26 LEU HD23 H 1 0.783 0.002 . . . . . A 26 LEU HD23 . 17731 1 166 . 1 1 27 27 TYR H H 1 8.222 0.002 . . . . . A 27 TYR H . 17731 1 167 . 1 1 27 27 TYR HA H 1 4.959 0.001 . . . . . A 27 TYR HA . 17731 1 168 . 1 1 27 27 TYR HB2 H 1 2.526 0.002 . . . . . A 27 TYR HB2 . 17731 1 169 . 1 1 27 27 TYR HB3 H 1 2.316 0.004 . . . . . A 27 TYR HB3 . 17731 1 170 . 1 1 27 27 TYR HD1 H 1 6.796 0.002 . . . . . A 27 TYR HD1 . 17731 1 171 . 1 1 27 27 TYR HD2 H 1 6.796 0.002 . . . . . A 27 TYR HD2 . 17731 1 172 . 1 1 27 27 TYR HE1 H 1 6.608 0.004 . . . . . A 27 TYR HE1 . 17731 1 173 . 1 1 27 27 TYR HE2 H 1 6.608 0.004 . . . . . A 27 TYR HE2 . 17731 1 174 . 1 1 28 28 CYS H H 1 8.768 0.006 . . . . . A 28 CYS H . 17731 1 175 . 1 1 28 28 CYS HA H 1 4.979 0.002 . . . . . A 28 CYS HA . 17731 1 176 . 1 1 28 28 CYS HB2 H 1 2.201 0.002 . . . . . A 28 CYS HB2 . 17731 1 177 . 1 1 28 28 CYS HB3 H 1 2.006 0.004 . . . . . A 28 CYS HB3 . 17731 1 178 . 1 1 29 29 CYS H H 1 8.878 0 . . . . . A 29 CYS H . 17731 1 179 . 1 1 29 29 CYS HA H 1 5.059 0.004 . . . . . A 29 CYS HA . 17731 1 180 . 1 1 29 29 CYS HB2 H 1 3.032 0.003 . . . . . A 29 CYS HB2 . 17731 1 181 . 1 1 29 29 CYS HB3 H 1 2.452 0.004 . . . . . A 29 CYS HB3 . 17731 1 182 . 1 1 30 30 PRO HA H 1 4.716 0 . . . . . A 30 PRO HA . 17731 1 183 . 1 1 30 30 PRO HB2 H 1 2.378 0.003 . . . . . A 30 PRO HB2 . 17731 1 184 . 1 1 30 30 PRO HB3 H 1 2.378 0.003 . . . . . A 30 PRO HB3 . 17731 1 185 . 1 1 30 30 PRO HG2 H 1 2.127 0.008 . . . . . A 30 PRO HG2 . 17731 1 186 . 1 1 30 30 PRO HG3 H 1 2.02 0.002 . . . . . A 30 PRO HG3 . 17731 1 187 . 1 1 30 30 PRO HD2 H 1 3.771 0.003 . . . . . A 30 PRO HD2 . 17731 1 188 . 1 1 30 30 PRO HD3 H 1 3.604 0.005 . . . . . A 30 PRO HD3 . 17731 1 189 . 1 1 31 31 ARG H H 1 8.429 0.002 . . . . . A 31 ARG H . 17731 1 190 . 1 1 31 31 ARG HA H 1 4.103 0.015 . . . . . A 31 ARG HA . 17731 1 191 . 1 1 31 31 ARG HB2 H 1 1.794 0.018 . . . . . A 31 ARG HB2 . 17731 1 192 . 1 1 31 31 ARG HB3 H 1 1.794 0.018 . . . . . A 31 ARG HB3 . 17731 1 193 . 1 1 31 31 ARG HG2 H 1 1.593 0.016 . . . . . A 31 ARG HG2 . 17731 1 194 . 1 1 31 31 ARG HG3 H 1 1.593 0.016 . . . . . A 31 ARG HG3 . 17731 1 195 . 1 1 31 31 ARG HD2 H 1 3.156 0.013 . . . . . A 31 ARG HD2 . 17731 1 196 . 1 1 31 31 ARG HD3 H 1 3.156 0.013 . . . . . A 31 ARG HD3 . 17731 1 197 . 1 1 32 32 ARG H H 1 7.877 0.002 . . . . . A 32 ARG H . 17731 1 198 . 1 1 32 32 ARG HA H 1 4.124 0.001 . . . . . A 32 ARG HA . 17731 1 199 . 1 1 32 32 ARG HB2 H 1 1.799 0.019 . . . . . A 32 ARG HB2 . 17731 1 200 . 1 1 32 32 ARG HB3 H 1 1.799 0.019 . . . . . A 32 ARG HB3 . 17731 1 201 . 1 1 32 32 ARG HG2 H 1 1.702 0.018 . . . . . A 32 ARG HG2 . 17731 1 202 . 1 1 32 32 ARG HG3 H 1 1.572 0.002 . . . . . A 32 ARG HG3 . 17731 1 203 . 1 1 32 32 ARG HD2 H 1 3.185 0.007 . . . . . A 32 ARG HD2 . 17731 1 204 . 1 1 32 32 ARG HD3 H 1 3.185 0.007 . . . . . A 32 ARG HD3 . 17731 1 205 . 1 1 32 32 ARG HE H 1 7.173 0 . . . . . A 32 ARG HE . 17731 1 stop_ save_