################################### # 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 18449 _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 5 '3D 1H-15N NOESY' . . . 18449 1 7 '2D 1H-1H NOESY' . . . 18449 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 SER H H 1 8.407 0.02 . 1 . . . A 24 SER HN . 18449 1 2 . 1 1 1 1 SER HA H 1 4.477 0.02 . 1 . . . A 24 SER HA . 18449 1 3 . 1 1 1 1 SER HB2 H 1 3.871 0.02 . 1 . . . A 24 SER HB2 . 18449 1 4 . 1 1 1 1 SER HB3 H 1 3.871 0.02 . 1 . . . A 24 SER QB . 18449 1 5 . 1 1 1 1 SER C C 13 171.886 0.2 . 1 . . . A 24 SER C . 18449 1 6 . 1 1 1 1 SER CA C 13 54.814 0.2 . 1 . . . A 24 SER CA . 18449 1 7 . 1 1 1 1 SER CB C 13 59.958 0.2 . 1 . . . A 24 SER CB . 18449 1 8 . 1 1 1 1 SER N N 15 118.052 0.2 . 1 . . . A 24 SER N . 18449 1 9 . 1 1 2 2 LYS H H 1 8.318 0.02 . 1 . . . A 25 LYS HN . 18449 1 10 . 1 1 2 2 LYS HA H 1 4.432 0.02 . 1 . . . A 25 LYS HA . 18449 1 11 . 1 1 2 2 LYS HB2 H 1 1.728 0.02 . 2 . . . A 25 LYS HB2 . 18449 1 12 . 1 1 2 2 LYS HB3 H 1 1.728 0.02 . 2 . . . A 25 LYS QB . 18449 1 13 . 1 1 2 2 LYS HG2 H 1 1.448 0.02 . 2 . . . A 25 LYS HG2 . 18449 1 14 . 1 1 2 2 LYS HG3 H 1 1.448 0.02 . 2 . . . A 25 LYS QG . 18449 1 15 . 1 1 2 2 LYS C C 13 173.780 0.2 . 1 . . . A 25 LYS C . 18449 1 16 . 1 1 2 2 LYS CA C 13 52.743 0.2 . 1 . . . A 25 LYS CA . 18449 1 17 . 1 1 2 2 LYS CB C 13 29.179 0.2 . 1 . . . A 25 LYS CB . 18449 1 18 . 1 1 2 2 LYS N N 15 123.163 0.2 . 1 . . . A 25 LYS N . 18449 1 19 . 1 1 3 3 LYS H H 1 8.271 0.02 . 1 . . . A 26 LYS HN . 18449 1 20 . 1 1 3 3 LYS HA H 1 4.283 0.02 . 1 . . . A 26 LYS HA . 18449 1 21 . 1 1 3 3 LYS HB2 H 1 1.737 0.02 . 2 . . . A 26 LYS HB2 . 18449 1 22 . 1 1 3 3 LYS HB3 H 1 1.737 0.02 . 2 . . . A 26 LYS QB . 18449 1 23 . 1 1 3 3 LYS HG2 H 1 1.401 0.02 . 2 . . . A 26 LYS HG2 . 18449 1 24 . 1 1 3 3 LYS HG3 H 1 1.401 0.02 . 2 . . . A 26 LYS QG . 18449 1 25 . 1 1 3 3 LYS C C 13 173.736 0.2 . 1 . . . A 26 LYS C . 18449 1 26 . 1 1 3 3 LYS CA C 13 52.621 0.2 . 1 . . . A 26 LYS CA . 18449 1 27 . 1 1 3 3 LYS CB C 13 29.325 0.2 . 1 . . . A 26 LYS CB . 18449 1 28 . 1 1 3 3 LYS N N 15 122.612 0.2 . 1 . . . A 26 LYS N . 18449 1 29 . 1 1 4 4 GLU H H 1 8.350 0.02 . 1 . . . A 27 GLU HN . 18449 1 30 . 1 1 4 4 GLU HA H 1 4.268 0.02 . 1 . . . A 27 GLU HA . 18449 1 31 . 1 1 4 4 GLU HB2 H 1 1.981 0.02 . 2 . . . A 27 GLU HB2 . 18449 1 32 . 1 1 4 4 GLU HB3 H 1 1.894 0.02 . 2 . . . A 27 GLU HB3 . 18449 1 33 . 1 1 4 4 GLU HG2 H 1 2.231 0.02 . 2 . . . A 27 GLU HG2 . 18449 1 34 . 1 1 4 4 GLU HG3 H 1 2.231 0.02 . 2 . . . A 27 GLU QG . 18449 1 35 . 1 1 4 4 GLU C C 13 173.562 0.2 . 1 . . . A 27 GLU C . 18449 1 36 . 1 1 4 4 GLU CA C 13 52.535 0.2 . 1 . . . A 27 GLU CA . 18449 1 37 . 1 1 4 4 GLU CB C 13 26.714 0.2 . 1 . . . A 27 GLU CB . 18449 1 38 . 1 1 4 4 GLU N N 15 122.511 0.2 . 1 . . . A 27 GLU N . 18449 1 39 . 1 1 5 5 LYS H H 1 8.392 0.02 . 1 . . . A 28 LYS HN . 18449 1 40 . 1 1 5 5 LYS HA H 1 4.255 0.02 . 1 . . . A 28 LYS HA . 18449 1 41 . 1 1 5 5 LYS HB2 H 1 1.742 0.02 . 2 . . . A 28 LYS HB2 . 18449 1 42 . 1 1 5 5 LYS HB3 H 1 1.742 0.02 . 2 . . . A 28 LYS QB . 18449 1 43 . 1 1 5 5 LYS HG2 H 1 1.415 0.02 . 2 . . . A 28 LYS HG2 . 18449 1 44 . 1 1 5 5 LYS HG3 H 1 1.415 0.02 . 2 . . . A 28 LYS QG . 18449 1 45 . 1 1 5 5 LYS C C 13 173.649 0.2 . 1 . . . A 28 LYS C . 18449 1 46 . 1 1 5 5 LYS CA C 13 52.503 0.2 . 1 . . . A 28 LYS CA . 18449 1 47 . 1 1 5 5 LYS CB C 13 29.336 0.2 . 1 . . . A 28 LYS CB . 18449 1 48 . 1 1 5 5 LYS N N 15 123.542 0.2 . 1 . . . A 28 LYS N . 18449 1 49 . 1 1 6 6 LYS H H 1 8.367 0.02 . 1 . . . A 29 LYS HN . 18449 1 50 . 1 1 6 6 LYS HA H 1 4.261 0.02 . 1 . . . A 29 LYS HA . 18449 1 51 . 1 1 6 6 LYS HB2 H 1 1.735 0.02 . 2 . . . A 29 LYS HB2 . 18449 1 52 . 1 1 6 6 LYS HB3 H 1 1.735 0.02 . 2 . . . A 29 LYS QB . 18449 1 53 . 1 1 6 6 LYS HG2 H 1 1.419 0.02 . 2 . . . A 29 LYS HG2 . 18449 1 54 . 1 1 6 6 LYS HG3 H 1 1.419 0.02 . 2 . . . A 29 LYS QG . 18449 1 55 . 1 1 6 6 LYS C C 13 173.668 0.2 . 1 . . . A 29 LYS C . 18449 1 56 . 1 1 6 6 LYS CA C 13 52.457 0.2 . 1 . . . A 29 LYS CA . 18449 1 57 . 1 1 6 6 LYS CB C 13 29.346 0.2 . 1 . . . A 29 LYS CB . 18449 1 58 . 1 1 6 6 LYS N N 15 123.541 0.2 . 1 . . . A 29 LYS N . 18449 1 59 . 1 1 7 7 LYS H H 1 8.440 0.02 . 1 . . . A 30 LYS HN . 18449 1 60 . 1 1 7 7 LYS HA H 1 4.303 0.02 . 1 . . . A 30 LYS HA . 18449 1 61 . 1 1 7 7 LYS HB2 H 1 1.772 0.02 . 2 . . . A 30 LYS HB2 . 18449 1 62 . 1 1 7 7 LYS HB3 H 1 1.772 0.02 . 2 . . . A 30 LYS QB . 18449 1 63 . 1 1 7 7 LYS HG2 H 1 1.439 0.02 . 2 . . . A 30 LYS HG2 . 18449 1 64 . 1 1 7 7 LYS HG3 H 1 1.439 0.02 . 2 . . . A 30 LYS QG . 18449 1 65 . 1 1 7 7 LYS C C 13 174.004 0.2 . 1 . . . A 30 LYS C . 18449 1 66 . 1 1 7 7 LYS CA C 13 52.522 0.2 . 1 . . . A 30 LYS CA . 18449 1 67 . 1 1 7 7 LYS CB C 13 29.553 0.2 . 1 . . . A 30 LYS CB . 18449 1 68 . 1 1 7 7 LYS N N 15 123.696 0.2 . 1 . . . A 30 LYS N . 18449 1 69 . 1 1 8 8 GLY H H 1 8.318 0.02 . 1 . . . A 31 GLY HN . 18449 1 70 . 1 1 8 8 GLY HA2 H 1 4.178 0.02 . 2 . . . A 31 GLY HA2 . 18449 1 71 . 1 1 8 8 GLY HA3 H 1 3.993 0.02 . 2 . . . A 31 GLY HA3 . 18449 1 72 . 1 1 8 8 GLY C C 13 168.877 0.2 . 1 . . . A 31 GLY C . 18449 1 73 . 1 1 8 8 GLY CA C 13 40.520 0.2 . 1 . . . A 31 GLY CA . 18449 1 74 . 1 1 8 8 GLY N N 15 110.736 0.2 . 1 . . . A 31 GLY N . 18449 1 75 . 1 1 9 9 PRO HA H 1 4.402 0.02 . 1 . . . A 32 PRO HA . 18449 1 76 . 1 1 9 9 PRO HB2 H 1 2.238 0.02 . 2 . . . A 32 PRO HB2 . 18449 1 77 . 1 1 9 9 PRO HB3 H 1 1.880 0.02 . 2 . . . A 32 PRO HB3 . 18449 1 78 . 1 1 9 9 PRO HG2 H 1 1.977 0.02 . 2 . . . A 32 PRO HG2 . 18449 1 79 . 1 1 9 9 PRO HG3 H 1 1.977 0.02 . 2 . . . A 32 PRO QG . 18449 1 80 . 1 1 9 9 PRO HD2 H 1 3.591 0.02 . 2 . . . A 32 PRO HD2 . 18449 1 81 . 1 1 9 9 PRO HD3 H 1 3.591 0.02 . 2 . . . A 32 PRO QD . 18449 1 82 . 1 1 9 9 PRO C C 13 174.308 0.2 . 1 . . . A 32 PRO C . 18449 1 83 . 1 1 9 9 PRO CA C 13 59.186 0.2 . 1 . . . A 32 PRO CA . 18449 1 84 . 1 1 9 9 PRO CB C 13 28.434 0.2 . 1 . . . A 32 PRO CB . 18449 1 85 . 1 1 10 10 GLU H H 1 8.589 0.02 . 1 . . . A 33 GLU HN . 18449 1 86 . 1 1 10 10 GLU HA H 1 4.262 0.02 . 1 . . . A 33 GLU HA . 18449 1 87 . 1 1 10 10 GLU HB2 H 1 2.032 0.02 . 2 . . . A 33 GLU HB2 . 18449 1 88 . 1 1 10 10 GLU HB3 H 1 1.925 0.02 . 2 . . . A 33 GLU HB3 . 18449 1 89 . 1 1 10 10 GLU HG2 H 1 2.304 0.02 . 2 . . . A 33 GLU HG2 . 18449 1 90 . 1 1 10 10 GLU HG3 H 1 2.304 0.02 . 2 . . . A 33 GLU QG . 18449 1 91 . 1 1 10 10 GLU C C 13 173.883 0.2 . 1 . . . A 33 GLU C . 18449 1 92 . 1 1 10 10 GLU CA C 13 52.751 0.2 . 1 . . . A 33 GLU CA . 18449 1 93 . 1 1 10 10 GLU CB C 13 26.538 0.2 . 1 . . . A 33 GLU CB . 18449 1 94 . 1 1 10 10 GLU N N 15 121.419 0.2 . 1 . . . A 33 GLU N . 18449 1 95 . 1 1 11 11 LYS H H 1 8.471 0.02 . 1 . . . A 34 LYS HN . 18449 1 96 . 1 1 11 11 LYS HA H 1 4.394 0.02 . 1 . . . A 34 LYS HA . 18449 1 97 . 1 1 11 11 LYS HB2 H 1 1.943 0.02 . 2 . . . A 34 LYS HB2 . 18449 1 98 . 1 1 11 11 LYS HB3 H 1 1.756 0.02 . 2 . . . A 34 LYS HB3 . 18449 1 99 . 1 1 11 11 LYS HG2 H 1 1.454 0.02 . 2 . . . A 34 LYS HG2 . 18449 1 100 . 1 1 11 11 LYS HG3 H 1 1.454 0.02 . 2 . . . A 34 LYS QG . 18449 1 101 . 1 1 11 11 LYS HD2 H 1 1.689 0.02 . 2 . . . A 34 LYS HD2 . 18449 1 102 . 1 1 11 11 LYS HD3 H 1 1.689 0.02 . 2 . . . A 34 LYS QD . 18449 1 103 . 1 1 11 11 LYS C C 13 174.352 0.2 . 1 . . . A 34 LYS C . 18449 1 104 . 1 1 11 11 LYS CA C 13 52.548 0.2 . 1 . . . A 34 LYS CA . 18449 1 105 . 1 1 11 11 LYS CB C 13 29.297 0.2 . 1 . . . A 34 LYS CB . 18449 1 106 . 1 1 11 11 LYS N N 15 122.500 0.2 . 1 . . . A 34 LYS N . 18449 1 107 . 1 1 12 12 THR H H 1 8.356 0.02 . 1 . . . A 35 THR HN . 18449 1 108 . 1 1 12 12 THR HA H 1 4.151 0.02 . 1 . . . A 35 THR HA . 18449 1 109 . 1 1 12 12 THR HB H 1 4.112 0.02 . 1 . . . A 35 THR HB . 18449 1 110 . 1 1 12 12 THR HG21 H 1 1.198 0.02 . 1 . . . A 35 THR HG21 . 18449 1 111 . 1 1 12 12 THR HG22 H 1 1.198 0.02 . 1 . . . A 35 THR HG22 . 18449 1 112 . 1 1 12 12 THR HG23 H 1 1.198 0.02 . 1 . . . A 35 THR HG23 . 18449 1 113 . 1 1 12 12 THR C C 13 172.139 0.2 . 1 . . . A 35 THR C . 18449 1 114 . 1 1 12 12 THR CA C 13 60.091 0.2 . 1 . . . A 35 THR CA . 18449 1 115 . 1 1 12 12 THR CB C 13 65.388 0.2 . 1 . . . A 35 THR CB . 18449 1 116 . 1 1 12 12 THR N N 15 116.471 0.2 . 1 . . . A 35 THR N . 18449 1 117 . 1 1 13 13 ASP H H 1 8.655 0.02 . 1 . . . A 36 ASP HN . 18449 1 118 . 1 1 13 13 ASP HA H 1 4.412 0.02 . 1 . . . A 36 ASP HA . 18449 1 119 . 1 1 13 13 ASP HB2 H 1 2.670 0.02 . 2 . . . A 36 ASP HB2 . 18449 1 120 . 1 1 13 13 ASP HB3 H 1 2.670 0.02 . 2 . . . A 36 ASP QB . 18449 1 121 . 1 1 13 13 ASP C C 13 173.604 0.2 . 1 . . . A 36 ASP C . 18449 1 122 . 1 1 13 13 ASP CA C 13 51.553 0.2 . 1 . . . A 36 ASP CA . 18449 1 123 . 1 1 13 13 ASP CB C 13 35.813 0.2 . 1 . . . A 36 ASP CB . 18449 1 124 . 1 1 13 13 ASP N N 15 120.494 0.2 . 1 . . . A 36 ASP N . 18449 1 125 . 1 1 14 14 GLU H H 1 8.034 0.02 . 1 . . . A 37 GLU HN . 18449 1 126 . 1 1 14 14 GLU HA H 1 4.094 0.02 . 1 . . . A 37 GLU HA . 18449 1 127 . 1 1 14 14 GLU HB2 H 1 1.997 0.02 . 2 . . . A 37 GLU HB2 . 18449 1 128 . 1 1 14 14 GLU HB3 H 1 1.997 0.02 . 2 . . . A 37 GLU QB . 18449 1 129 . 1 1 14 14 GLU HG2 H 1 2.309 0.02 . 2 . . . A 37 GLU HG2 . 18449 1 130 . 1 1 14 14 GLU HG3 H 1 2.245 0.02 . 2 . . . A 37 GLU HG3 . 18449 1 131 . 1 1 14 14 GLU C C 13 174.696 0.2 . 1 . . . A 37 GLU C . 18449 1 132 . 1 1 14 14 GLU CA C 13 54.159 0.2 . 1 . . . A 37 GLU CA . 18449 1 133 . 1 1 14 14 GLU CB C 13 25.855 0.2 . 1 . . . A 37 GLU CB . 18449 1 134 . 1 1 14 14 GLU N N 15 120.459 0.2 . 1 . . . A 37 GLU N . 18449 1 135 . 1 1 15 15 TYR H H 1 8.245 0.02 . 1 . . . A 38 TYR HN . 18449 1 136 . 1 1 15 15 TYR HA H 1 4.400 0.02 . 1 . . . A 38 TYR HA . 18449 1 137 . 1 1 15 15 TYR HB2 H 1 3.154 0.02 . 2 . . . A 38 TYR HB2 . 18449 1 138 . 1 1 15 15 TYR HB3 H 1 3.085 0.02 . 2 . . . A 38 TYR HB3 . 18449 1 139 . 1 1 15 15 TYR HD1 H 1 7.113 0.02 . 3 . . . A 38 TYR HD1 . 18449 1 140 . 1 1 15 15 TYR HD2 H 1 7.113 0.02 . 3 . . . A 38 TYR HD2 . 18449 1 141 . 1 1 15 15 TYR HE1 H 1 6.793 0.02 . 3 . . . A 38 TYR HE1 . 18449 1 142 . 1 1 15 15 TYR HE2 H 1 6.793 0.02 . 3 . . . A 38 TYR HE2 . 18449 1 143 . 1 1 15 15 TYR C C 13 174.195 0.2 . 1 . . . A 38 TYR C . 18449 1 144 . 1 1 15 15 TYR CA C 13 55.793 0.2 . 1 . . . A 38 TYR CA . 18449 1 145 . 1 1 15 15 TYR CB C 13 34.569 0.2 . 1 . . . A 38 TYR CB . 18449 1 146 . 1 1 15 15 TYR N N 15 120.652 0.2 . 1 . . . A 38 TYR N . 18449 1 147 . 1 1 16 16 LEU H H 1 8.348 0.02 . 1 . . . A 39 LEU HN . 18449 1 148 . 1 1 16 16 LEU HA H 1 3.952 0.02 . 1 . . . A 39 LEU HA . 18449 1 149 . 1 1 16 16 LEU HB2 H 1 1.853 0.02 . 2 . . . A 39 LEU HB2 . 18449 1 150 . 1 1 16 16 LEU HB3 H 1 1.760 0.02 . 2 . . . A 39 LEU HB3 . 18449 1 151 . 1 1 16 16 LEU HG H 1 1.469 0.02 . 1 . . . A 39 LEU HG . 18449 1 152 . 1 1 16 16 LEU HD11 H 1 0.931 0.02 . 2 . . . A 39 LEU HD11 . 18449 1 153 . 1 1 16 16 LEU HD12 H 1 0.931 0.02 . 2 . . . A 39 LEU HD12 . 18449 1 154 . 1 1 16 16 LEU HD13 H 1 0.931 0.02 . 2 . . . A 39 LEU HD13 . 18449 1 155 . 1 1 16 16 LEU HD21 H 1 0.931 0.02 . 2 . . . A 39 LEU HD21 . 18449 1 156 . 1 1 16 16 LEU HD22 H 1 0.931 0.02 . 2 . . . A 39 LEU HD22 . 18449 1 157 . 1 1 16 16 LEU HD23 H 1 0.931 0.02 . 2 . . . A 39 LEU HD23 . 18449 1 158 . 1 1 16 16 LEU C C 13 175.464 0.2 . 1 . . . A 39 LEU C . 18449 1 159 . 1 1 16 16 LEU CA C 13 53.934 0.2 . 1 . . . A 39 LEU CA . 18449 1 160 . 1 1 16 16 LEU CB C 13 38.514 0.2 . 1 . . . A 39 LEU CB . 18449 1 161 . 1 1 16 16 LEU N N 15 120.954 0.2 . 1 . . . A 39 LEU N . 18449 1 162 . 1 1 17 17 LEU H H 1 8.097 0.02 . 1 . . . A 40 LEU HN . 18449 1 163 . 1 1 17 17 LEU HA H 1 4.084 0.02 . 1 . . . A 40 LEU HA . 18449 1 164 . 1 1 17 17 LEU HB2 H 1 1.730 0.02 . 2 . . . A 40 LEU HB2 . 18449 1 165 . 1 1 17 17 LEU HB3 H 1 1.730 0.02 . 2 . . . A 40 LEU QB . 18449 1 166 . 1 1 17 17 LEU HG H 1 1.470 0.02 . 1 . . . A 40 LEU HG . 18449 1 167 . 1 1 17 17 LEU HD11 H 1 0.931 0.02 . 2 . . . A 40 LEU HD11 . 18449 1 168 . 1 1 17 17 LEU HD12 H 1 0.931 0.02 . 2 . . . A 40 LEU HD12 . 18449 1 169 . 1 1 17 17 LEU HD13 H 1 0.931 0.02 . 2 . . . A 40 LEU HD13 . 18449 1 170 . 1 1 17 17 LEU HD21 H 1 0.931 0.02 . 2 . . . A 40 LEU HD21 . 18449 1 171 . 1 1 17 17 LEU HD22 H 1 0.931 0.02 . 2 . . . A 40 LEU HD22 . 18449 1 172 . 1 1 17 17 LEU HD23 H 1 0.931 0.02 . 2 . . . A 40 LEU HD23 . 18449 1 173 . 1 1 17 17 LEU C C 13 175.709 0.2 . 1 . . . A 40 LEU C . 18449 1 174 . 1 1 17 17 LEU CA C 13 53.513 0.2 . 1 . . . A 40 LEU CA . 18449 1 175 . 1 1 17 17 LEU CB C 13 37.771 0.2 . 1 . . . A 40 LEU CB . 18449 1 176 . 1 1 17 17 LEU N N 15 117.546 0.2 . 1 . . . A 40 LEU N . 18449 1 177 . 1 1 18 18 ALA H H 1 7.829 0.02 . 1 . . . A 41 ALA HN . 18449 1 178 . 1 1 18 18 ALA HA H 1 4.072 0.02 . 1 . . . A 41 ALA HA . 18449 1 179 . 1 1 18 18 ALA HB1 H 1 1.446 0.02 . 1 . . . A 41 ALA HB1 . 18449 1 180 . 1 1 18 18 ALA HB2 H 1 1.446 0.02 . 1 . . . A 41 ALA HB2 . 18449 1 181 . 1 1 18 18 ALA HB3 H 1 1.446 0.02 . 1 . . . A 41 ALA HB3 . 18449 1 182 . 1 1 18 18 ALA C C 13 177.428 0.2 . 1 . . . A 41 ALA C . 18449 1 183 . 1 1 18 18 ALA CA C 13 51.126 0.2 . 1 . . . A 41 ALA CA . 18449 1 184 . 1 1 18 18 ALA CB C 13 14.780 0.2 . 1 . . . A 41 ALA CB . 18449 1 185 . 1 1 18 18 ALA N N 15 120.206 0.2 . 1 . . . A 41 ALA N . 18449 1 186 . 1 1 19 19 ARG H H 1 7.888 0.02 . 1 . . . A 42 ARG HN . 18449 1 187 . 1 1 19 19 ARG HA H 1 4.056 0.02 . 1 . . . A 42 ARG HA . 18449 1 188 . 1 1 19 19 ARG HB2 H 1 1.593 0.02 . 2 . . . A 42 ARG HB2 . 18449 1 189 . 1 1 19 19 ARG HB3 H 1 1.593 0.02 . 2 . . . A 42 ARG QB . 18449 1 190 . 1 1 19 19 ARG HG2 H 1 1.255 0.02 . 2 . . . A 42 ARG HG2 . 18449 1 191 . 1 1 19 19 ARG HG3 H 1 1.179 0.02 . 2 . . . A 42 ARG HG3 . 18449 1 192 . 1 1 19 19 ARG HD2 H 1 2.998 0.02 . 2 . . . A 42 ARG HD2 . 18449 1 193 . 1 1 19 19 ARG HD3 H 1 2.911 0.02 . 2 . . . A 42 ARG HD3 . 18449 1 194 . 1 1 19 19 ARG HE H 1 7.428 0.02 . 1 . . . A 42 ARG HE . 18449 1 195 . 1 1 19 19 ARG C C 13 174.758 0.2 . 1 . . . A 42 ARG C . 18449 1 196 . 1 1 19 19 ARG CA C 13 53.809 0.2 . 1 . . . A 42 ARG CA . 18449 1 197 . 1 1 19 19 ARG CB C 13 25.921 0.2 . 1 . . . A 42 ARG CB . 18449 1 198 . 1 1 19 19 ARG N N 15 117.440 0.2 . 1 . . . A 42 ARG N . 18449 1 199 . 1 1 20 20 PHE H H 1 7.955 0.02 . 1 . . . A 43 PHE HN . 18449 1 200 . 1 1 20 20 PHE HA H 1 4.572 0.02 . 1 . . . A 43 PHE HA . 18449 1 201 . 1 1 20 20 PHE HB2 H 1 3.307 0.02 . 2 . . . A 43 PHE HB2 . 18449 1 202 . 1 1 20 20 PHE HB3 H 1 2.960 0.02 . 2 . . . A 43 PHE HB3 . 18449 1 203 . 1 1 20 20 PHE HD1 H 1 7.232 0.02 . 3 . . . A 43 PHE HD1 . 18449 1 204 . 1 1 20 20 PHE HD2 H 1 7.232 0.02 . 3 . . . A 43 PHE HD2 . 18449 1 205 . 1 1 20 20 PHE HE1 H 1 7.171 0.02 . 3 . . . A 43 PHE HE1 . 18449 1 206 . 1 1 20 20 PHE HE2 H 1 7.171 0.02 . 3 . . . A 43 PHE HE2 . 18449 1 207 . 1 1 20 20 PHE C C 13 173.259 0.2 . 1 . . . A 43 PHE C . 18449 1 208 . 1 1 20 20 PHE CA C 13 54.930 0.2 . 1 . . . A 43 PHE CA . 18449 1 209 . 1 1 20 20 PHE CB C 13 35.522 0.2 . 1 . . . A 43 PHE CB . 18449 1 210 . 1 1 20 20 PHE N N 15 117.423 0.2 . 1 . . . A 43 PHE N . 18449 1 211 . 1 1 21 21 LYS H H 1 7.929 0.02 . 1 . . . A 44 LYS HN . 18449 1 212 . 1 1 21 21 LYS HA H 1 4.074 0.02 . 1 . . . A 44 LYS HA . 18449 1 213 . 1 1 21 21 LYS HB2 H 1 1.883 0.02 . 2 . . . A 44 LYS HB2 . 18449 1 214 . 1 1 21 21 LYS HB3 H 1 1.883 0.02 . 2 . . . A 44 LYS QB . 18449 1 215 . 1 1 21 21 LYS HG2 H 1 1.533 0.02 . 2 . . . A 44 LYS HG2 . 18449 1 216 . 1 1 21 21 LYS HG3 H 1 1.533 0.02 . 2 . . . A 44 LYS QG . 18449 1 217 . 1 1 21 21 LYS HD2 H 1 1.685 0.02 . 2 . . . A 44 LYS HD2 . 18449 1 218 . 1 1 21 21 LYS HD3 H 1 1.685 0.02 . 2 . . . A 44 LYS QD . 18449 1 219 . 1 1 21 21 LYS C C 13 174.903 0.2 . 1 . . . A 44 LYS C . 18449 1 220 . 1 1 21 21 LYS CA C 13 54.765 0.2 . 1 . . . A 44 LYS CA . 18449 1 221 . 1 1 21 21 LYS CB C 13 28.883 0.2 . 1 . . . A 44 LYS CB . 18449 1 222 . 1 1 21 21 LYS N N 15 119.081 0.2 . 1 . . . A 44 LYS N . 18449 1 223 . 1 1 22 22 GLY H H 1 8.416 0.02 . 1 . . . A 45 GLY HN . 18449 1 224 . 1 1 22 22 GLY HA2 H 1 3.985 0.02 . 2 . . . A 45 GLY HA2 . 18449 1 225 . 1 1 22 22 GLY HA3 H 1 3.898 0.02 . 2 . . . A 45 GLY HA3 . 18449 1 226 . 1 1 22 22 GLY C C 13 172.596 0.2 . 1 . . . A 45 GLY C . 18449 1 227 . 1 1 22 22 GLY CA C 13 42.389 0.2 . 1 . . . A 45 GLY CA . 18449 1 228 . 1 1 22 22 GLY N N 15 108.400 0.2 . 1 . . . A 45 GLY N . 18449 1 229 . 1 1 23 23 ASP H H 1 8.345 0.02 . 1 . . . A 46 ASP HN . 18449 1 230 . 1 1 23 23 ASP HA H 1 4.610 0.02 . 1 . . . A 46 ASP HA . 18449 1 231 . 1 1 23 23 ASP HB2 H 1 2.866 0.02 . 2 . . . A 46 ASP HB2 . 18449 1 232 . 1 1 23 23 ASP HB3 H 1 2.696 0.02 . 2 . . . A 46 ASP HB3 . 18449 1 233 . 1 1 23 23 ASP C C 13 174.568 0.2 . 1 . . . A 46 ASP C . 18449 1 234 . 1 1 23 23 ASP CA C 13 51.540 0.2 . 1 . . . A 46 ASP CA . 18449 1 235 . 1 1 23 23 ASP CB C 13 36.249 0.2 . 1 . . . A 46 ASP CB . 18449 1 236 . 1 1 23 23 ASP N N 15 120.595 0.2 . 1 . . . A 46 ASP N . 18449 1 237 . 1 1 24 24 GLY H H 1 8.587 0.02 . 1 . . . A 47 GLY HN . 18449 1 238 . 1 1 24 24 GLY HA2 H 1 3.825 0.02 . 2 . . . A 47 GLY HA2 . 18449 1 239 . 1 1 24 24 GLY HA3 H 1 3.825 0.02 . 2 . . . A 47 GLY QA . 18449 1 240 . 1 1 24 24 GLY C C 13 172.152 0.2 . 1 . . . A 47 GLY C . 18449 1 241 . 1 1 24 24 GLY CA C 13 43.502 0.2 . 1 . . . A 47 GLY CA . 18449 1 242 . 1 1 24 24 GLY N N 15 108.925 0.2 . 1 . . . A 47 GLY N . 18449 1 243 . 1 1 25 25 VAL H H 1 7.979 0.02 . 1 . . . A 48 VAL HN . 18449 1 244 . 1 1 25 25 VAL HA H 1 3.764 0.02 . 1 . . . A 48 VAL HA . 18449 1 245 . 1 1 25 25 VAL HB H 1 2.115 0.02 . 1 . . . A 48 VAL HB . 18449 1 246 . 1 1 25 25 VAL HG11 H 1 1.047 0.02 . 1 . . . A 48 VAL HG11 . 18449 1 247 . 1 1 25 25 VAL HG12 H 1 1.047 0.02 . 1 . . . A 48 VAL HG12 . 18449 1 248 . 1 1 25 25 VAL HG13 H 1 1.047 0.02 . 1 . . . A 48 VAL HG13 . 18449 1 249 . 1 1 25 25 VAL HG21 H 1 0.947 0.02 . 1 . . . A 48 VAL HG21 . 18449 1 250 . 1 1 25 25 VAL HG22 H 1 0.947 0.02 . 1 . . . A 48 VAL HG22 . 18449 1 251 . 1 1 25 25 VAL HG23 H 1 0.947 0.02 . 1 . . . A 48 VAL HG23 . 18449 1 252 . 1 1 25 25 VAL C C 13 174.894 0.2 . 1 . . . A 48 VAL C . 18449 1 253 . 1 1 25 25 VAL CA C 13 61.430 0.2 . 1 . . . A 48 VAL CA . 18449 1 254 . 1 1 25 25 VAL CB C 13 28.106 0.2 . 1 . . . A 48 VAL CB . 18449 1 255 . 1 1 25 25 VAL N N 15 119.548 0.2 . 1 . . . A 48 VAL N . 18449 1 256 . 1 1 26 26 LYS H H 1 7.862 0.02 . 1 . . . A 49 LYS HN . 18449 1 257 . 1 1 26 26 LYS HA H 1 4.059 0.02 . 1 . . . A 49 LYS HA . 18449 1 258 . 1 1 26 26 LYS HB2 H 1 1.718 0.02 . 2 . . . A 49 LYS HB2 . 18449 1 259 . 1 1 26 26 LYS HB3 H 1 1.718 0.02 . 2 . . . A 49 LYS QB . 18449 1 260 . 1 1 26 26 LYS HG2 H 1 1.424 0.02 . 2 . . . A 49 LYS HG2 . 18449 1 261 . 1 1 26 26 LYS HG3 H 1 1.424 0.02 . 2 . . . A 49 LYS QG . 18449 1 262 . 1 1 26 26 LYS HD2 H 1 1.672 0.02 . 2 . . . A 49 LYS HD2 . 18449 1 263 . 1 1 26 26 LYS HD3 H 1 1.672 0.02 . 2 . . . A 49 LYS QD . 18449 1 264 . 1 1 26 26 LYS C C 13 175.545 0.2 . 1 . . . A 49 LYS C . 18449 1 265 . 1 1 26 26 LYS CA C 13 54.765 0.2 . 1 . . . A 49 LYS CA . 18449 1 266 . 1 1 26 26 LYS CB C 13 28.675 0.2 . 1 . . . A 49 LYS CB . 18449 1 267 . 1 1 26 26 LYS N N 15 120.856 0.2 . 1 . . . A 49 LYS N . 18449 1 268 . 1 1 27 27 TYR H H 1 8.006 0.02 . 1 . . . A 50 TYR HN . 18449 1 269 . 1 1 27 27 TYR HA H 1 4.376 0.02 . 1 . . . A 50 TYR HA . 18449 1 270 . 1 1 27 27 TYR HB2 H 1 3.053 0.02 . 2 . . . A 50 TYR HB2 . 18449 1 271 . 1 1 27 27 TYR HB3 H 1 2.926 0.02 . 2 . . . A 50 TYR HB3 . 18449 1 272 . 1 1 27 27 TYR HD1 H 1 7.056 0.02 . 3 . . . A 50 TYR HD1 . 18449 1 273 . 1 1 27 27 TYR HD2 H 1 7.056 0.02 . 3 . . . A 50 TYR HD2 . 18449 1 274 . 1 1 27 27 TYR HE1 H 1 6.791 0.02 . 3 . . . A 50 TYR HE1 . 18449 1 275 . 1 1 27 27 TYR HE2 H 1 6.791 0.02 . 3 . . . A 50 TYR HE2 . 18449 1 276 . 1 1 27 27 TYR C C 13 174.292 0.2 . 1 . . . A 50 TYR C . 18449 1 277 . 1 1 27 27 TYR CA C 13 56.534 0.2 . 1 . . . A 50 TYR CA . 18449 1 278 . 1 1 27 27 TYR CB C 13 34.319 0.2 . 1 . . . A 50 TYR CB . 18449 1 279 . 1 1 27 27 TYR N N 15 117.994 0.2 . 1 . . . A 50 TYR N . 18449 1 280 . 1 1 28 28 LYS H H 1 8.119 0.02 . 1 . . . A 51 LYS HN . 18449 1 281 . 1 1 28 28 LYS HA H 1 3.932 0.02 . 1 . . . A 51 LYS HA . 18449 1 282 . 1 1 28 28 LYS HB2 H 1 1.950 0.02 . 2 . . . A 51 LYS HB2 . 18449 1 283 . 1 1 28 28 LYS HB3 H 1 1.894 0.02 . 2 . . . A 51 LYS HB3 . 18449 1 284 . 1 1 28 28 LYS HG2 H 1 1.438 0.02 . 2 . . . A 51 LYS HG2 . 18449 1 285 . 1 1 28 28 LYS HG3 H 1 1.438 0.02 . 2 . . . A 51 LYS QG . 18449 1 286 . 1 1 28 28 LYS HD2 H 1 1.674 0.02 . 2 . . . A 51 LYS HD2 . 18449 1 287 . 1 1 28 28 LYS HD3 H 1 1.674 0.02 . 2 . . . A 51 LYS QD . 18449 1 288 . 1 1 28 28 LYS C C 13 174.680 0.2 . 1 . . . A 51 LYS C . 18449 1 289 . 1 1 28 28 LYS CA C 13 55.577 0.2 . 1 . . . A 51 LYS CA . 18449 1 290 . 1 1 28 28 LYS CB C 13 28.509 0.2 . 1 . . . A 51 LYS CB . 18449 1 291 . 1 1 28 28 LYS N N 15 120.354 0.2 . 1 . . . A 51 LYS N . 18449 1 292 . 1 1 29 29 ALA H H 1 7.968 0.02 . 1 . . . A 52 ALA HN . 18449 1 293 . 1 1 29 29 ALA HA H 1 4.072 0.02 . 1 . . . A 52 ALA HA . 18449 1 294 . 1 1 29 29 ALA HB1 H 1 1.435 0.02 . 1 . . . A 52 ALA HB1 . 18449 1 295 . 1 1 29 29 ALA HB2 H 1 1.435 0.02 . 1 . . . A 52 ALA HB2 . 18449 1 296 . 1 1 29 29 ALA HB3 H 1 1.435 0.02 . 1 . . . A 52 ALA HB3 . 18449 1 297 . 1 1 29 29 ALA C C 13 176.530 0.2 . 1 . . . A 52 ALA C . 18449 1 298 . 1 1 29 29 ALA CA C 13 50.718 0.2 . 1 . . . A 52 ALA CA . 18449 1 299 . 1 1 29 29 ALA CB C 13 14.812 0.2 . 1 . . . A 52 ALA CB . 18449 1 300 . 1 1 29 29 ALA N N 15 120.186 0.2 . 1 . . . A 52 ALA N . 18449 1 301 . 1 1 30 30 LYS H H 1 7.712 0.02 . 1 . . . A 53 LYS HN . 18449 1 302 . 1 1 30 30 LYS HA H 1 4.126 0.02 . 1 . . . A 53 LYS HA . 18449 1 303 . 1 1 30 30 LYS HB2 H 1 1.960 0.02 . 2 . . . A 53 LYS HB2 . 18449 1 304 . 1 1 30 30 LYS HB3 H 1 1.892 0.02 . 2 . . . A 53 LYS HB3 . 18449 1 305 . 1 1 30 30 LYS HG2 H 1 1.528 0.02 . 2 . . . A 53 LYS HG2 . 18449 1 306 . 1 1 30 30 LYS HG3 H 1 1.528 0.02 . 2 . . . A 53 LYS QG . 18449 1 307 . 1 1 30 30 LYS HE2 H 1 2.946 0.02 . 2 . . . A 53 LYS HE2 . 18449 1 308 . 1 1 30 30 LYS HE3 H 1 2.946 0.02 . 2 . . . A 53 LYS QE . 18449 1 309 . 1 1 30 30 LYS C C 13 174.833 0.2 . 1 . . . A 53 LYS C . 18449 1 310 . 1 1 30 30 LYS CA C 13 53.962 0.2 . 1 . . . A 53 LYS CA . 18449 1 311 . 1 1 30 30 LYS CB C 13 28.773 0.2 . 1 . . . A 53 LYS CB . 18449 1 312 . 1 1 30 30 LYS N N 15 116.894 0.2 . 1 . . . A 53 LYS N . 18449 1 313 . 1 1 31 31 LEU H H 1 7.826 0.02 . 1 . . . A 54 LEU HN . 18449 1 314 . 1 1 31 31 LEU HA H 1 4.181 0.02 . 1 . . . A 54 LEU HA . 18449 1 315 . 1 1 31 31 LEU HB2 H 1 1.790 0.02 . 2 . . . A 54 LEU HB2 . 18449 1 316 . 1 1 31 31 LEU HB3 H 1 1.790 0.02 . 2 . . . A 54 LEU QB . 18449 1 317 . 1 1 31 31 LEU HG H 1 1.550 0.02 . 1 . . . A 54 LEU HG . 18449 1 318 . 1 1 31 31 LEU HD11 H 1 0.883 0.02 . 2 . . . A 54 LEU HD11 . 18449 1 319 . 1 1 31 31 LEU HD12 H 1 0.883 0.02 . 2 . . . A 54 LEU HD12 . 18449 1 320 . 1 1 31 31 LEU HD13 H 1 0.883 0.02 . 2 . . . A 54 LEU HD13 . 18449 1 321 . 1 1 31 31 LEU HD21 H 1 0.883 0.02 . 2 . . . A 54 LEU HD21 . 18449 1 322 . 1 1 31 31 LEU HD22 H 1 0.883 0.02 . 2 . . . A 54 LEU HD22 . 18449 1 323 . 1 1 31 31 LEU HD23 H 1 0.883 0.02 . 2 . . . A 54 LEU HD23 . 18449 1 324 . 1 1 31 31 LEU C C 13 174.274 0.2 . 1 . . . A 54 LEU C . 18449 1 325 . 1 1 31 31 LEU CA C 13 52.844 0.2 . 1 . . . A 54 LEU CA . 18449 1 326 . 1 1 31 31 LEU CB C 13 38.948 0.2 . 1 . . . A 54 LEU CB . 18449 1 327 . 1 1 31 31 LEU N N 15 118.047 0.2 . 1 . . . A 54 LEU N . 18449 1 328 . 1 1 32 32 ILE H H 1 7.663 0.02 . 1 . . . A 55 ILE HN . 18449 1 329 . 1 1 32 32 ILE HA H 1 4.190 0.02 . 1 . . . A 55 ILE HA . 18449 1 330 . 1 1 32 32 ILE HB H 1 1.984 0.02 . 1 . . . A 55 ILE HB . 18449 1 331 . 1 1 32 32 ILE HG12 H 1 1.504 0.02 . 2 . . . A 55 ILE HG12 . 18449 1 332 . 1 1 32 32 ILE HG13 H 1 1.275 0.02 . 2 . . . A 55 ILE HG13 . 18449 1 333 . 1 1 32 32 ILE HG21 H 1 0.905 0.02 . 1 . . . A 55 ILE HG21 . 18449 1 334 . 1 1 32 32 ILE HG22 H 1 0.905 0.02 . 1 . . . A 55 ILE HG22 . 18449 1 335 . 1 1 32 32 ILE HG23 H 1 0.905 0.02 . 1 . . . A 55 ILE HG23 . 18449 1 336 . 1 1 32 32 ILE HD11 H 1 0.866 0.02 . 1 . . . A 55 ILE HD11 . 18449 1 337 . 1 1 32 32 ILE HD12 H 1 0.866 0.02 . 1 . . . A 55 ILE HD12 . 18449 1 338 . 1 1 32 32 ILE HD13 H 1 0.866 0.02 . 1 . . . A 55 ILE HD13 . 18449 1 339 . 1 1 32 32 ILE C C 13 173.572 0.2 . 1 . . . A 55 ILE C . 18449 1 340 . 1 1 32 32 ILE CA C 13 57.711 0.2 . 1 . . . A 55 ILE CA . 18449 1 341 . 1 1 32 32 ILE CB C 13 34.774 0.2 . 1 . . . A 55 ILE CB . 18449 1 342 . 1 1 32 32 ILE N N 15 113.992 0.2 . 1 . . . A 55 ILE N . 18449 1 343 . 1 1 33 33 GLY H H 1 8.008 0.02 . 1 . . . A 56 GLY HN . 18449 1 344 . 1 1 33 33 GLY HA2 H 1 4.122 0.02 . 2 . . . A 56 GLY HA2 . 18449 1 345 . 1 1 33 33 GLY HA3 H 1 3.913 0.02 . 2 . . . A 56 GLY HA3 . 18449 1 346 . 1 1 33 33 GLY C C 13 171.340 0.2 . 1 . . . A 56 GLY C . 18449 1 347 . 1 1 33 33 GLY CA C 13 41.754 0.2 . 1 . . . A 56 GLY CA . 18449 1 348 . 1 1 33 33 GLY N N 15 109.333 0.2 . 1 . . . A 56 GLY N . 18449 1 349 . 1 1 34 34 ILE H H 1 7.762 0.02 . 1 . . . A 57 ILE HN . 18449 1 350 . 1 1 34 34 ILE HA H 1 4.199 0.02 . 1 . . . A 57 ILE HA . 18449 1 351 . 1 1 34 34 ILE HB H 1 1.882 0.02 . 1 . . . A 57 ILE HB . 18449 1 352 . 1 1 34 34 ILE HG12 H 1 1.457 0.02 . 2 . . . A 57 ILE HG12 . 18449 1 353 . 1 1 34 34 ILE HG13 H 1 1.140 0.02 . 2 . . . A 57 ILE HG13 . 18449 1 354 . 1 1 34 34 ILE HG21 H 1 0.885 0.02 . 1 . . . A 57 ILE HG21 . 18449 1 355 . 1 1 34 34 ILE HG22 H 1 0.885 0.02 . 1 . . . A 57 ILE HG22 . 18449 1 356 . 1 1 34 34 ILE HG23 H 1 0.885 0.02 . 1 . . . A 57 ILE HG23 . 18449 1 357 . 1 1 34 34 ILE C C 13 171.858 0.2 . 1 . . . A 57 ILE C . 18449 1 358 . 1 1 34 34 ILE CA C 13 57.508 0.2 . 1 . . . A 57 ILE CA . 18449 1 359 . 1 1 34 34 ILE CB C 13 35.215 0.2 . 1 . . . A 57 ILE CB . 18449 1 360 . 1 1 34 34 ILE N N 15 117.833 0.2 . 1 . . . A 57 ILE N . 18449 1 361 . 1 1 35 35 ASP H H 1 7.882 0.02 . 1 . . . A 58 ASP HN . 18449 1 362 . 1 1 35 35 ASP HA H 1 4.423 0.02 . 1 . . . A 58 ASP HA . 18449 1 363 . 1 1 35 35 ASP HB2 H 1 2.721 0.02 . 2 . . . A 58 ASP HB2 . 18449 1 364 . 1 1 35 35 ASP HB3 H 1 2.591 0.02 . 2 . . . A 58 ASP HB3 . 18449 1 365 . 1 1 35 35 ASP C C 13 176.607 0.2 . 1 . . . A 58 ASP C . 18449 1 366 . 1 1 35 35 ASP CA C 13 50.638 0.2 . 1 . . . A 58 ASP CA . 18449 1 367 . 1 1 35 35 ASP CB C 13 36.952 0.2 . 1 . . . A 58 ASP CB . 18449 1 368 . 1 1 35 35 ASP N N 15 125.807 0.2 . 1 . . . A 58 ASP N . 18449 1 stop_ save_