################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5848 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY' . . . 5848 1 2 '2D TOCSY' . . . 5848 1 3 DQF-COSY . . . 5848 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 4 4 LYS HA H 1 4.327 0.0 . . . . . . . . . . 5848 1 2 . 1 1 4 4 LYS HB3 H 1 1.811 0.0 . . . . . . . . . . 5848 1 3 . 1 1 4 4 LYS HB2 H 1 1.811 0.0 . . . . . . . . . . 5848 1 4 . 1 1 4 4 LYS HD3 H 1 1.695 0.0 . . . . . . . . . . 5848 1 5 . 1 1 4 4 LYS HD2 H 1 1.695 0.0 . . . . . . . . . . 5848 1 6 . 1 1 4 4 LYS HG3 H 1 1.515 0.0 . . . . . . . . . . 5848 1 7 . 1 1 4 4 LYS HG2 H 1 1.515 0.0 . . . . . . . . . . 5848 1 8 . 1 1 4 4 LYS H H 1 8.05 0.0 . . . . . . . . . . 5848 1 9 . 1 1 5 5 ARG HA H 1 4.458 0.0 . . . . . . . . . . 5848 1 10 . 1 1 5 5 ARG HB3 H 1 1.999 0.0 . . . . . . . . . . 5848 1 11 . 1 1 5 5 ARG HB2 H 1 2.059 0.0 . . . . . . . . . . 5848 1 12 . 1 1 5 5 ARG HG3 H 1 1.602 0.0 . . . . . . . . . . 5848 1 13 . 1 1 5 5 ARG HG2 H 1 1.602 0.0 . . . . . . . . . . 5848 1 14 . 1 1 5 5 ARG H H 1 8.346 0.0 . . . . . . . . . . 5848 1 15 . 1 1 6 6 CYS HA H 1 4.86 0.0 . . . . . . . . . . 5848 1 16 . 1 1 6 6 CYS HB3 H 1 3.151 0.0 . . . . . . . . . . 5848 1 17 . 1 1 6 6 CYS HB2 H 1 2.973 0.0 . . . . . . . . . . 5848 1 18 . 1 1 6 6 CYS H H 1 8.628 0.0 . . . . . . . . . . 5848 1 19 . 1 1 7 7 THR HA H 1 4.856 0.0 . . . . . . . . . . 5848 1 20 . 1 1 7 7 THR HB H 1 3.942 0.0 . . . . . . . . . . 5848 1 21 . 1 1 7 7 THR HG21 H 1 1.112 0.0 . . . . . . . . . . 5848 1 22 . 1 1 7 7 THR HG22 H 1 1.112 0.0 . . . . . . . . . . 5848 1 23 . 1 1 7 7 THR HG23 H 1 1.112 0.0 . . . . . . . . . . 5848 1 24 . 1 1 7 7 THR H H 1 8.27 0.0 . . . . . . . . . . 5848 1 25 . 1 1 8 8 ARG HA H 1 4.406 0.0 . . . . . . . . . . 5848 1 26 . 1 1 8 8 ARG HB3 H 1 1.286 0.0 . . . . . . . . . . 5848 1 27 . 1 1 8 8 ARG HB2 H 1 1.286 0.0 . . . . . . . . . . 5848 1 28 . 1 1 8 8 ARG HD3 H 1 2.781 0.0 . . . . . . . . . . 5848 1 29 . 1 1 8 8 ARG HD2 H 1 2.731 0.0 . . . . . . . . . . 5848 1 30 . 1 1 8 8 ARG HG3 H 1 1.203 0.0 . . . . . . . . . . 5848 1 31 . 1 1 8 8 ARG HG2 H 1 1.109 0.0 . . . . . . . . . . 5848 1 32 . 1 1 8 8 ARG H H 1 8.251 0.0 . . . . . . . . . . 5848 1 33 . 1 1 9 9 GLY HA2 H 1 4.08 0.0 . . . . . . . . . . 5848 1 34 . 1 1 9 9 GLY HA3 H 1 3.664 0.0 . . . . . . . . . . 5848 1 35 . 1 1 9 9 GLY H H 1 8.286 0.0 . . . . . . . . . . 5848 1 36 . 1 1 10 10 PHE HA H 1 4.683 0.0 . . . . . . . . . . 5848 1 37 . 1 1 10 10 PHE HB3 H 1 3.182 0.0 . . . . . . . . . . 5848 1 38 . 1 1 10 10 PHE HB2 H 1 2.88 0.0 . . . . . . . . . . 5848 1 39 . 1 1 10 10 PHE HD1 H 1 7.233 0.0 . . . . . . . . . . 5848 1 40 . 1 1 10 10 PHE HD2 H 1 7.233 0.0 . . . . . . . . . . 5848 1 41 . 1 1 10 10 PHE H H 1 7.943 0.0 . . . . . . . . . . 5848 1 42 . 1 1 11 11 ARG HA H 1 4.354 0.0 . . . . . . . . . . 5848 1 43 . 1 1 11 11 ARG HB3 H 1 1.681 0.0 . . . . . . . . . . 5848 1 44 . 1 1 11 11 ARG HB2 H 1 1.63 0.0 . . . . . . . . . . 5848 1 45 . 1 1 11 11 ARG HD3 H 1 3.094 0.0 . . . . . . . . . . 5848 1 46 . 1 1 11 11 ARG HD2 H 1 3.094 0.0 . . . . . . . . . . 5848 1 47 . 1 1 11 11 ARG HG3 H 1 1.546 0.0 . . . . . . . . . . 5848 1 48 . 1 1 11 11 ARG HG2 H 1 1.546 0.0 . . . . . . . . . . 5848 1 49 . 1 1 11 11 ARG H H 1 8.423 0.0 . . . . . . . . . . 5848 1 50 . 1 1 12 12 LYS HA H 1 4.484 0.0 . . . . . . . . . . 5848 1 51 . 1 1 12 12 LYS HB3 H 1 1.62 0.0 . . . . . . . . . . 5848 1 52 . 1 1 12 12 LYS HB2 H 1 1.563 0.0 . . . . . . . . . . 5848 1 53 . 1 1 12 12 LYS HD3 H 1 1.333 0.0 . . . . . . . . . . 5848 1 54 . 1 1 12 12 LYS HD2 H 1 1.318 0.0 . . . . . . . . . . 5848 1 55 . 1 1 12 12 LYS HE3 H 1 2.957 0.0 . . . . . . . . . . 5848 1 56 . 1 1 12 12 LYS HE2 H 1 2.95 0.0 . . . . . . . . . . 5848 1 57 . 1 1 12 12 LYS HG3 H 1 0.525 0.0 . . . . . . . . . . 5848 1 58 . 1 1 12 12 LYS HG2 H 1 0.51 0.0 . . . . . . . . . . 5848 1 59 . 1 1 12 12 LYS H H 1 8.372 0.0 . . . . . . . . . . 5848 1 60 . 1 1 13 13 LEU HA H 1 4.27 0.0 . . . . . . . . . . 5848 1 61 . 1 1 13 13 LEU HB3 H 1 1.689 0.0 . . . . . . . . . . 5848 1 62 . 1 1 13 13 LEU HB2 H 1 1.6 0.0 . . . . . . . . . . 5848 1 63 . 1 1 13 13 LEU HD11 H 1 0.953 0.0 . . . . . . . . . . 5848 1 64 . 1 1 13 13 LEU HD12 H 1 0.953 0.0 . . . . . . . . . . 5848 1 65 . 1 1 13 13 LEU HD13 H 1 0.953 0.0 . . . . . . . . . . 5848 1 66 . 1 1 13 13 LEU HD21 H 1 0.903 0.0 . . . . . . . . . . 5848 1 67 . 1 1 13 13 LEU HD22 H 1 0.903 0.0 . . . . . . . . . . 5848 1 68 . 1 1 13 13 LEU HD23 H 1 0.903 0.0 . . . . . . . . . . 5848 1 69 . 1 1 13 13 LEU HG H 1 1.741 0.0 . . . . . . . . . . 5848 1 70 . 1 1 13 13 LEU H H 1 8.223 0.0 . . . . . . . . . . 5848 1 71 . 1 1 14 14 GLY HA2 H 1 4.46 0.0 . . . . . . . . . . 5848 1 72 . 1 1 14 14 GLY HA3 H 1 3.723 0.0 . . . . . . . . . . 5848 1 73 . 1 1 14 14 GLY H H 1 8.184 0.0 . . . . . . . . . . 5848 1 74 . 1 1 15 15 LYS HA H 1 4.531 0.0 . . . . . . . . . . 5848 1 75 . 1 1 15 15 LYS HB3 H 1 1.887 0.0 . . . . . . . . . . 5848 1 76 . 1 1 15 15 LYS HB2 H 1 1.674 0.0 . . . . . . . . . . 5848 1 77 . 1 1 15 15 LYS HD3 H 1 1.647 0.0 . . . . . . . . . . 5848 1 78 . 1 1 15 15 LYS HD2 H 1 1.647 0.0 . . . . . . . . . . 5848 1 79 . 1 1 15 15 LYS HE3 H 1 2.99 0.0 . . . . . . . . . . 5848 1 80 . 1 1 15 15 LYS HE2 H 1 2.97 0.0 . . . . . . . . . . 5848 1 81 . 1 1 15 15 LYS HG3 H 1 1.41 0.0 . . . . . . . . . . 5848 1 82 . 1 1 15 15 LYS HG2 H 1 1.41 0.0 . . . . . . . . . . 5848 1 83 . 1 1 15 15 LYS H H 1 8.157 0.0 . . . . . . . . . . 5848 1 84 . 1 1 16 16 CYS HB3 H 1 3.029 0.0 . . . . . . . . . . 5848 1 85 . 1 1 16 16 CYS HB2 H 1 2.857 0.0 . . . . . . . . . . 5848 1 86 . 1 1 16 16 CYS H H 1 8.109 0.0 . . . . . . . . . . 5848 1 87 . 1 1 17 17 THR HB H 1 3.549 0.0 . . . . . . . . . . 5848 1 88 . 1 1 17 17 THR HG21 H 1 1.184 0.0 . . . . . . . . . . 5848 1 89 . 1 1 17 17 THR HG22 H 1 1.184 0.0 . . . . . . . . . . 5848 1 90 . 1 1 17 17 THR HG23 H 1 1.184 0.0 . . . . . . . . . . 5848 1 91 . 1 1 17 17 THR H H 1 6.648 0.0 . . . . . . . . . . 5848 1 92 . 1 1 18 18 THR HA H 1 4.633 0.0 . . . . . . . . . . 5848 1 93 . 1 1 18 18 THR HB H 1 4.007 0.0 . . . . . . . . . . 5848 1 94 . 1 1 18 18 THR HG21 H 1 1.289 0.0 . . . . . . . . . . 5848 1 95 . 1 1 18 18 THR HG22 H 1 1.289 0.0 . . . . . . . . . . 5848 1 96 . 1 1 18 18 THR HG23 H 1 1.289 0.0 . . . . . . . . . . 5848 1 97 . 1 1 18 18 THR H H 1 8.81 0.0 . . . . . . . . . . 5848 1 98 . 1 1 19 19 LEU HA H 1 4.156 0.0 . . . . . . . . . . 5848 1 99 . 1 1 19 19 LEU HB3 H 1 1.658 0.0 . . . . . . . . . . 5848 1 100 . 1 1 19 19 LEU HB2 H 1 1.562 0.0 . . . . . . . . . . 5848 1 101 . 1 1 19 19 LEU HD11 H 1 0.921 0.0 . . . . . . . . . . 5848 1 102 . 1 1 19 19 LEU HD12 H 1 0.921 0.0 . . . . . . . . . . 5848 1 103 . 1 1 19 19 LEU HD13 H 1 0.921 0.0 . . . . . . . . . . 5848 1 104 . 1 1 19 19 LEU HD21 H 1 0.865 0.0 . . . . . . . . . . 5848 1 105 . 1 1 19 19 LEU HD22 H 1 0.865 0.0 . . . . . . . . . . 5848 1 106 . 1 1 19 19 LEU HD23 H 1 0.865 0.0 . . . . . . . . . . 5848 1 107 . 1 1 19 19 LEU HG H 1 1.597 0.0 . . . . . . . . . . 5848 1 108 . 1 1 19 19 LEU H H 1 7.767 0.0 . . . . . . . . . . 5848 1 109 . 1 1 20 20 GLU HA H 1 4.129 0.0 . . . . . . . . . . 5848 1 110 . 1 1 20 20 GLU HB3 H 1 2.288 0.0 . . . . . . . . . . 5848 1 111 . 1 1 20 20 GLU HB2 H 1 2.106 0.0 . . . . . . . . . . 5848 1 112 . 1 1 20 20 GLU HG3 H 1 2.141 0.0 . . . . . . . . . . 5848 1 113 . 1 1 20 20 GLU HG2 H 1 1.946 0.0 . . . . . . . . . . 5848 1 114 . 1 1 20 20 GLU H H 1 7.529 0.0 . . . . . . . . . . 5848 1 115 . 1 1 21 21 GLU HA H 1 3.919 0.0 . . . . . . . . . . 5848 1 116 . 1 1 21 21 GLU HB3 H 1 2.342 0.0 . . . . . . . . . . 5848 1 117 . 1 1 21 21 GLU HB2 H 1 2.199 0.0 . . . . . . . . . . 5848 1 118 . 1 1 21 21 GLU HG3 H 1 2.229 0.0 . . . . . . . . . . 5848 1 119 . 1 1 21 21 GLU HG2 H 1 2.218 0.0 . . . . . . . . . . 5848 1 120 . 1 1 21 21 GLU H H 1 8.359 0.0 . . . . . . . . . . 5848 1 121 . 1 1 22 22 GLU HA H 1 4 0.0 . . . . . . . . . . 5848 1 122 . 1 1 22 22 GLU HB3 H 1 2.165 0.0 . . . . . . . . . . 5848 1 123 . 1 1 22 22 GLU HB2 H 1 2.133 0.0 . . . . . . . . . . 5848 1 124 . 1 1 22 22 GLU HG3 H 1 2.385 0.0 . . . . . . . . . . 5848 1 125 . 1 1 22 22 GLU HG2 H 1 2.302 0.0 . . . . . . . . . . 5848 1 126 . 1 1 22 22 GLU H H 1 7.96 0.0 . . . . . . . . . . 5848 1 127 . 1 1 23 23 LYS HA H 1 4 0.0 . . . . . . . . . . 5848 1 128 . 1 1 23 23 LYS HB3 H 1 1.926 0.0 . . . . . . . . . . 5848 1 129 . 1 1 23 23 LYS HB2 H 1 1.846 0.0 . . . . . . . . . . 5848 1 130 . 1 1 23 23 LYS HD3 H 1 1.425 0.0 . . . . . . . . . . 5848 1 131 . 1 1 23 23 LYS HD2 H 1 1.408 0.0 . . . . . . . . . . 5848 1 132 . 1 1 23 23 LYS HE3 H 1 2.888 0.0 . . . . . . . . . . 5848 1 133 . 1 1 23 23 LYS HE2 H 1 2.844 0.0 . . . . . . . . . . 5848 1 134 . 1 1 23 23 LYS HG3 H 1 1.621 0.0 . . . . . . . . . . 5848 1 135 . 1 1 23 23 LYS HG2 H 1 1.556 0.0 . . . . . . . . . . 5848 1 136 . 1 1 23 23 LYS H H 1 8.084 0.0 . . . . . . . . . . 5848 1 137 . 1 1 24 24 CYS HA H 1 4.498 0.0 . . . . . . . . . . 5848 1 138 . 1 1 24 24 CYS HB3 H 1 2.944 0.0 . . . . . . . . . . 5848 1 139 . 1 1 24 24 CYS HB2 H 1 2.625 0.0 . . . . . . . . . . 5848 1 140 . 1 1 24 24 CYS H H 1 7.871 0.0 . . . . . . . . . . 5848 1 141 . 1 1 25 25 LYS HA H 1 4.168 0.0 . . . . . . . . . . 5848 1 142 . 1 1 25 25 LYS HB3 H 1 1.935 0.0 . . . . . . . . . . 5848 1 143 . 1 1 25 25 LYS HB2 H 1 1.887 0.0 . . . . . . . . . . 5848 1 144 . 1 1 25 25 LYS HD3 H 1 1.695 0.0 . . . . . . . . . . 5848 1 145 . 1 1 25 25 LYS HD2 H 1 1.695 0.0 . . . . . . . . . . 5848 1 146 . 1 1 25 25 LYS HE3 H 1 2.988 0.0 . . . . . . . . . . 5848 1 147 . 1 1 25 25 LYS HE2 H 1 2.97 0.0 . . . . . . . . . . 5848 1 148 . 1 1 25 25 LYS HG3 H 1 1.516 0.0 . . . . . . . . . . 5848 1 149 . 1 1 25 25 LYS HG2 H 1 1.516 0.0 . . . . . . . . . . 5848 1 150 . 1 1 25 25 LYS H H 1 7.678 0.0 . . . . . . . . . . 5848 1 151 . 1 1 26 26 THR HA H 1 4.185 0.0 . . . . . . . . . . 5848 1 152 . 1 1 26 26 THR HB H 1 4.046 0.0 . . . . . . . . . . 5848 1 153 . 1 1 26 26 THR HG21 H 1 1.221 0.0 . . . . . . . . . . 5848 1 154 . 1 1 26 26 THR HG22 H 1 1.221 0.0 . . . . . . . . . . 5848 1 155 . 1 1 26 26 THR HG23 H 1 1.221 0.0 . . . . . . . . . . 5848 1 156 . 1 1 26 26 THR H H 1 7.926 0.0 . . . . . . . . . . 5848 1 157 . 1 1 27 27 LEU HA H 1 3.858 0.0 . . . . . . . . . . 5848 1 158 . 1 1 27 27 LEU HB2 H 1 1.448 0.0 . . . . . . . . . . 5848 1 159 . 1 1 27 27 LEU HB3 H 1 1.366 0.0 . . . . . . . . . . 5848 1 160 . 1 1 27 27 LEU HD11 H 1 0.743 0.0 . . . . . . . . . . 5848 1 161 . 1 1 27 27 LEU HD12 H 1 0.743 0.0 . . . . . . . . . . 5848 1 162 . 1 1 27 27 LEU HD13 H 1 0.743 0.0 . . . . . . . . . . 5848 1 163 . 1 1 27 27 LEU HD21 H 1 0.708 0.0 . . . . . . . . . . 5848 1 164 . 1 1 27 27 LEU HD22 H 1 0.708 0.0 . . . . . . . . . . 5848 1 165 . 1 1 27 27 LEU HD23 H 1 0.708 0.0 . . . . . . . . . . 5848 1 166 . 1 1 27 27 LEU HG H 1 0.604 0.0 . . . . . . . . . . 5848 1 167 . 1 1 27 27 LEU H H 1 8.032 0.0 . . . . . . . . . . 5848 1 168 . 1 1 28 28 TYR HA H 1 5.085 0.0 . . . . . . . . . . 5848 1 169 . 1 1 28 28 TYR HB3 H 1 3.134 0.0 . . . . . . . . . . 5848 1 170 . 1 1 28 28 TYR HB2 H 1 3.016 0.0 . . . . . . . . . . 5848 1 171 . 1 1 28 28 TYR HD1 H 1 7.199 0.0 . . . . . . . . . . 5848 1 172 . 1 1 28 28 TYR HD2 H 1 7.199 0.0 . . . . . . . . . . 5848 1 173 . 1 1 28 28 TYR HE1 H 1 6.696 0.0 . . . . . . . . . . 5848 1 174 . 1 1 28 28 TYR HE2 H 1 6.696 0.0 . . . . . . . . . . 5848 1 175 . 1 1 28 28 TYR H H 1 6.564 0.0 . . . . . . . . . . 5848 1 176 . 1 1 29 29 PRO HB3 H 1 2.377 0.0 . . . . . . . . . . 5848 1 177 . 1 1 29 29 PRO HB2 H 1 2.029 0.0 . . . . . . . . . . 5848 1 178 . 1 1 29 29 PRO HD3 H 1 3.654 0.0 . . . . . . . . . . 5848 1 179 . 1 1 29 29 PRO HD2 H 1 3.49 0.0 . . . . . . . . . . 5848 1 180 . 1 1 29 29 PRO HG3 H 1 2.009 0.0 . . . . . . . . . . 5848 1 181 . 1 1 29 29 PRO HG2 H 1 1.974 0.0 . . . . . . . . . . 5848 1 182 . 1 1 30 30 ARG HA H 1 4.453 0.0 . . . . . . . . . . 5848 1 183 . 1 1 30 30 ARG HB3 H 1 2.038 0.0 . . . . . . . . . . 5848 1 184 . 1 1 30 30 ARG HB2 H 1 1.766 0.0 . . . . . . . . . . 5848 1 185 . 1 1 30 30 ARG HD3 H 1 2.647 0.0 . . . . . . . . . . 5848 1 186 . 1 1 30 30 ARG HD2 H 1 2.628 0.0 . . . . . . . . . . 5848 1 187 . 1 1 30 30 ARG HG3 H 1 1.611 0.0 . . . . . . . . . . 5848 1 188 . 1 1 30 30 ARG HG2 H 1 1.587 0.0 . . . . . . . . . . 5848 1 189 . 1 1 30 30 ARG H H 1 8.557 0.0 . . . . . . . . . . 5848 1 190 . 1 1 31 31 GLY HA2 H 1 4.284 0.0 . . . . . . . . . . 5848 1 191 . 1 1 31 31 GLY HA3 H 1 3.672 0.0 . . . . . . . . . . 5848 1 192 . 1 1 31 31 GLY H H 1 8.041 0.0 . . . . . . . . . . 5848 1 193 . 1 1 32 32 GLN HA H 1 4.007 0.0 . . . . . . . . . . 5848 1 194 . 1 1 32 32 GLN HB3 H 1 2.195 0.0 . . . . . . . . . . 5848 1 195 . 1 1 32 32 GLN HB2 H 1 2.159 0.0 . . . . . . . . . . 5848 1 196 . 1 1 32 32 GLN HE21 H 1 7.452 0.0 . . . . . . . . . . 5848 1 197 . 1 1 32 32 GLN HE22 H 1 6.724 0.0 . . . . . . . . . . 5848 1 198 . 1 1 32 32 GLN HG3 H 1 2.258 0.0 . . . . . . . . . . 5848 1 199 . 1 1 32 32 GLN HG2 H 1 2.258 0.0 . . . . . . . . . . 5848 1 200 . 1 1 32 32 GLN H H 1 8.395 0.0 . . . . . . . . . . 5848 1 201 . 1 1 33 33 CYS HA H 1 5.452 0.0 . . . . . . . . . . 5848 1 202 . 1 1 33 33 CYS HB3 H 1 3.236 0.0 . . . . . . . . . . 5848 1 203 . 1 1 33 33 CYS HB2 H 1 2.503 0.0 . . . . . . . . . . 5848 1 204 . 1 1 33 33 CYS H H 1 8.948 0.0 . . . . . . . . . . 5848 1 205 . 1 1 34 34 THR HA H 1 4.639 0.0 . . . . . . . . . . 5848 1 206 . 1 1 34 34 THR HB H 1 3.813 0.0 . . . . . . . . . . 5848 1 207 . 1 1 34 34 THR HG21 H 1 1.175 0.0 . . . . . . . . . . 5848 1 208 . 1 1 34 34 THR HG22 H 1 1.175 0.0 . . . . . . . . . . 5848 1 209 . 1 1 34 34 THR HG23 H 1 1.175 0.0 . . . . . . . . . . 5848 1 210 . 1 1 34 34 THR H H 1 8.85 0.0 . . . . . . . . . . 5848 1 211 . 1 1 35 35 CYS HA H 1 5.101 0.0 . . . . . . . . . . 5848 1 212 . 1 1 35 35 CYS HB3 H 1 3.308 0.0 . . . . . . . . . . 5848 1 213 . 1 1 35 35 CYS HB2 H 1 2.456 0.0 . . . . . . . . . . 5848 1 214 . 1 1 35 35 CYS H H 1 9.22 0.0 . . . . . . . . . . 5848 1 215 . 1 1 36 36 SER HA H 1 4.927 0.0 . . . . . . . . . . 5848 1 216 . 1 1 36 36 SER HB3 H 1 3.738 0.0 . . . . . . . . . . 5848 1 217 . 1 1 36 36 SER HB2 H 1 3.685 0.0 . . . . . . . . . . 5848 1 218 . 1 1 36 36 SER H H 1 9.354 0.0 . . . . . . . . . . 5848 1 219 . 1 1 37 37 ASP HA H 1 5.168 0.0 . . . . . . . . . . 5848 1 220 . 1 1 37 37 ASP HB3 H 1 2.862 0.0 . . . . . . . . . . 5848 1 221 . 1 1 37 37 ASP HB2 H 1 2.663 0.0 . . . . . . . . . . 5848 1 222 . 1 1 37 37 ASP H H 1 8.754 0.0 . . . . . . . . . . 5848 1 223 . 1 1 38 38 SER HA H 1 4.722 0.0 . . . . . . . . . . 5848 1 224 . 1 1 38 38 SER HB3 H 1 4.019 0.0 . . . . . . . . . . 5848 1 225 . 1 1 38 38 SER HB2 H 1 3.767 0.0 . . . . . . . . . . 5848 1 226 . 1 1 38 38 SER H H 1 8.649 0.0 . . . . . . . . . . 5848 1 227 . 1 1 39 39 LYS HA H 1 4.295 0.0 . . . . . . . . . . 5848 1 228 . 1 1 39 39 LYS H H 1 8.433 0.0 . . . . . . . . . . 5848 1 229 . 1 1 40 40 MET HA H 1 4.437 0.0 . . . . . . . . . . 5848 1 230 . 1 1 40 40 MET HB3 H 1 2.213 0.0 . . . . . . . . . . 5848 1 231 . 1 1 40 40 MET HB2 H 1 1.945 0.0 . . . . . . . . . . 5848 1 232 . 1 1 40 40 MET HG3 H 1 2.535 0.0 . . . . . . . . . . 5848 1 233 . 1 1 40 40 MET HG2 H 1 2.452 0.0 . . . . . . . . . . 5848 1 234 . 1 1 40 40 MET H H 1 8.441 0.0 . . . . . . . . . . 5848 1 235 . 1 1 41 41 ASN HA H 1 4.454 0.0 . . . . . . . . . . 5848 1 236 . 1 1 41 41 ASN HB3 H 1 3.163 0.0 . . . . . . . . . . 5848 1 237 . 1 1 41 41 ASN HB2 H 1 2.652 0.0 . . . . . . . . . . 5848 1 238 . 1 1 41 41 ASN HD21 H 1 7.443 0.0 . . . . . . . . . . 5848 1 239 . 1 1 41 41 ASN HD22 H 1 6.783 0.0 . . . . . . . . . . 5848 1 240 . 1 1 41 41 ASN H H 1 8.459 0.0 . . . . . . . . . . 5848 1 241 . 1 1 42 42 THR HA H 1 5.345 0.0 . . . . . . . . . . 5848 1 242 . 1 1 42 42 THR HB H 1 4.083 0.0 . . . . . . . . . . 5848 1 243 . 1 1 42 42 THR HG21 H 1 1.074 0.0 . . . . . . . . . . 5848 1 244 . 1 1 42 42 THR HG22 H 1 1.074 0.0 . . . . . . . . . . 5848 1 245 . 1 1 42 42 THR HG23 H 1 1.074 0.0 . . . . . . . . . . 5848 1 246 . 1 1 42 42 THR H H 1 7.088 0.0 . . . . . . . . . . 5848 1 247 . 1 1 43 43 HIS HA H 1 5.688 0.0 . . . . . . . . . . 5848 1 248 . 1 1 43 43 HIS HB3 H 1 3.396 0.0 . . . . . . . . . . 5848 1 249 . 1 1 43 43 HIS HB2 H 1 3.342 0.0 . . . . . . . . . . 5848 1 250 . 1 1 43 43 HIS HD2 H 1 7.038 0.0 . . . . . . . . . . 5848 1 251 . 1 1 43 43 HIS HE1 H 1 10.036 0.0 . . . . . . . . . . 5848 1 252 . 1 1 43 43 HIS H H 1 9.133 0.0 . . . . . . . . . . 5848 1 253 . 1 1 44 44 SER HA H 1 4.842 0.0 . . . . . . . . . . 5848 1 254 . 1 1 44 44 SER HB3 H 1 3.715 0.0 . . . . . . . . . . 5848 1 255 . 1 1 44 44 SER HB2 H 1 3.715 0.0 . . . . . . . . . . 5848 1 256 . 1 1 44 44 SER H H 1 8.662 0.0 . . . . . . . . . . 5848 1 257 . 1 1 45 45 CYS HA H 1 5.428 0.0 . . . . . . . . . . 5848 1 258 . 1 1 45 45 CYS HB3 H 1 2.948 0.0 . . . . . . . . . . 5848 1 259 . 1 1 45 45 CYS HB2 H 1 2.669 0.0 . . . . . . . . . . 5848 1 260 . 1 1 45 45 CYS H H 1 8.524 0.0 . . . . . . . . . . 5848 1 261 . 1 1 46 46 ASP HA H 1 5.074 0.0 . . . . . . . . . . 5848 1 262 . 1 1 46 46 ASP HB3 H 1 2.626 0.0 . . . . . . . . . . 5848 1 263 . 1 1 46 46 ASP HB2 H 1 2.486 0.0 . . . . . . . . . . 5848 1 264 . 1 1 46 46 ASP H H 1 8.956 0.0 . . . . . . . . . . 5848 1 265 . 1 1 47 47 CYS HA H 1 5.07 0.0 . . . . . . . . . . 5848 1 266 . 1 1 47 47 CYS HB3 H 1 3.277 0.0 . . . . . . . . . . 5848 1 267 . 1 1 47 47 CYS HB2 H 1 3.277 0.0 . . . . . . . . . . 5848 1 268 . 1 1 47 47 CYS H H 1 9.022 0.0 . . . . . . . . . . 5848 1 269 . 1 1 48 48 LYS HA H 1 4.3 0.0 . . . . . . . . . . 5848 1 270 . 1 1 48 48 LYS HB3 H 1 1.916 0.0 . . . . . . . . . . 5848 1 271 . 1 1 48 48 LYS HB2 H 1 1.808 0.0 . . . . . . . . . . 5848 1 272 . 1 1 48 48 LYS HG3 H 1 1.469 0.0 . . . . . . . . . . 5848 1 273 . 1 1 48 48 LYS HG2 H 1 1.437 0.0 . . . . . . . . . . 5848 1 274 . 1 1 48 48 LYS H H 1 7.977 0.0 . . . . . . . . . . 5848 1 275 . 1 1 49 49 SER HA H 1 4.574 0.0 . . . . . . . . . . 5848 1 276 . 1 1 49 49 SER HB3 H 1 3.808 0.0 . . . . . . . . . . 5848 1 277 . 1 1 49 49 SER HB2 H 1 3.658 0.0 . . . . . . . . . . 5848 1 278 . 1 1 49 49 SER H H 1 7.822 0.0 . . . . . . . . . . 5848 1 279 . 1 1 50 50 CYS HA H 1 4.325 0.0 . . . . . . . . . . 5848 1 280 . 1 1 50 50 CYS HB3 H 1 3.036 0.0 . . . . . . . . . . 5848 1 281 . 1 1 50 50 CYS HB2 H 1 2.941 0.0 . . . . . . . . . . 5848 1 282 . 1 1 50 50 CYS H H 1 8.177 0.0 . . . . . . . . . . 5848 1 stop_ save_