################################### # 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 19702 _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' . . . 19702 1 2 '2D 1H-1H TOCSY' . . . 19702 1 3 '2D DQF-COSY' . . . 19702 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 TRP H H 1 8.776 . . 1 . . . A 2 TRP H . 19702 1 2 . 1 1 2 2 TRP HA H 1 4.825 . . 1 . . . A 2 TRP HA . 19702 1 3 . 1 1 2 2 TRP HB2 H 1 3.346 . . 2 . . . A 2 TRP HB2 . 19702 1 4 . 1 1 2 2 TRP HB3 H 1 3.346 . . 2 . . . A 2 TRP HB3 . 19702 1 5 . 1 1 2 2 TRP HD1 H 1 7.336 . . 1 . . . A 2 TRP HD1 . 19702 1 6 . 1 1 2 2 TRP HE1 H 1 10.045 . . 1 . . . A 2 TRP HE1 . 19702 1 7 . 1 1 2 2 TRP HE3 H 1 7.663 . . 1 . . . A 2 TRP HE3 . 19702 1 8 . 1 1 2 2 TRP HZ2 H 1 7.496 . . 1 . . . A 2 TRP HZ2 . 19702 1 9 . 1 1 2 2 TRP HZ3 H 1 7.146 . . 1 . . . A 2 TRP HZ3 . 19702 1 10 . 1 1 2 2 TRP HH2 H 1 7.231 . . 1 . . . A 2 TRP HH2 . 19702 1 11 . 1 1 3 3 SER H H 1 8.174 . . 1 . . . A 3 SER H . 19702 1 12 . 1 1 3 3 SER HA H 1 4.315 . . 1 . . . A 3 SER HA . 19702 1 13 . 1 1 3 3 SER HB2 H 1 3.784 . . 2 . . . A 3 SER HB2 . 19702 1 14 . 1 1 3 3 SER HB3 H 1 3.867 . . 2 . . . A 3 SER HB3 . 19702 1 15 . 1 1 4 4 GLY H H 1 7.499 . . 1 . . . A 4 GLY H . 19702 1 16 . 1 1 4 4 GLY HA2 H 1 3.678 . . 2 . . . A 4 GLY HA2 . 19702 1 17 . 1 1 4 4 GLY HA3 H 1 3.769 . . 2 . . . A 4 GLY HA3 . 19702 1 18 . 1 1 5 5 THR H H 1 7.823 . . 1 . . . A 5 THR H . 19702 1 19 . 1 1 5 5 THR HA H 1 4.143 . . 1 . . . A 5 THR HA . 19702 1 20 . 1 1 5 5 THR HB H 1 4.264 . . 1 . . . A 5 THR HB . 19702 1 21 . 1 1 5 5 THR HG21 H 1 1.288 . . 1 . . . A 5 THR HG21 . 19702 1 22 . 1 1 5 5 THR HG22 H 1 1.288 . . 1 . . . A 5 THR HG22 . 19702 1 23 . 1 1 5 5 THR HG23 H 1 1.288 . . 1 . . . A 5 THR HG23 . 19702 1 24 . 1 1 6 6 LYS H H 1 8.040 . . 1 . . . A 6 LYS H . 19702 1 25 . 1 1 6 6 LYS HA H 1 4.143 . . 1 . . . A 6 LYS HA . 19702 1 26 . 1 1 6 6 LYS HB2 H 1 1.799 . . 2 . . . A 6 LYS HB2 . 19702 1 27 . 1 1 6 6 LYS HB3 H 1 1.863 . . 2 . . . A 6 LYS HB3 . 19702 1 28 . 1 1 6 6 LYS HG2 H 1 1.478 . . 2 . . . A 6 LYS HG2 . 19702 1 29 . 1 1 6 6 LYS HG3 H 1 1.478 . . 2 . . . A 6 LYS HG3 . 19702 1 30 . 1 1 6 6 LYS HD2 H 1 1.648 . . 2 . . . A 6 LYS HD2 . 19702 1 31 . 1 1 6 6 LYS HD3 H 1 1.648 . . 2 . . . A 6 LYS HD3 . 19702 1 32 . 1 1 7 7 LYS H H 1 7.897 . . 1 . . . A 7 LYS H . 19702 1 33 . 1 1 7 7 LYS HA H 1 4.179 . . 1 . . . A 7 LYS HA . 19702 1 34 . 1 1 7 7 LYS HB2 H 1 1.859 . . 2 . . . A 7 LYS HB2 . 19702 1 35 . 1 1 7 7 LYS HB3 H 1 1.859 . . 2 . . . A 7 LYS HB3 . 19702 1 36 . 1 1 7 7 LYS HG2 H 1 1.459 . . 2 . . . A 7 LYS HG2 . 19702 1 37 . 1 1 7 7 LYS HG3 H 1 1.703 . . 2 . . . A 7 LYS HG3 . 19702 1 38 . 1 1 8 8 ARG H H 1 7.884 . . 1 . . . A 8 ARG H . 19702 1 39 . 1 1 8 8 ARG HA H 1 4.115 . . 1 . . . A 8 ARG HA . 19702 1 40 . 1 1 8 8 ARG HB2 H 1 1.795 . . 2 . . . A 8 ARG HB2 . 19702 1 41 . 1 1 8 8 ARG HB3 H 1 1.912 . . 2 . . . A 8 ARG HB3 . 19702 1 42 . 1 1 8 8 ARG HG2 H 1 1.644 . . 2 . . . A 8 ARG HG2 . 19702 1 43 . 1 1 8 8 ARG HG3 H 1 1.646 . . 2 . . . A 8 ARG HG3 . 19702 1 44 . 1 1 8 8 ARG HD2 H 1 3.206 . . 2 . . . A 8 ARG HD2 . 19702 1 45 . 1 1 8 8 ARG HD3 H 1 3.206 . . 2 . . . A 8 ARG HD3 . 19702 1 46 . 1 1 8 8 ARG HE H 1 7.153 . . 1 . . . A 8 ARG HE . 19702 1 47 . 1 1 9 9 ALA H H 1 8.031 . . 1 . . . A 9 ALA H . 19702 1 48 . 1 1 9 9 ALA HA H 1 4.119 . . 1 . . . A 9 ALA HA . 19702 1 49 . 1 1 9 9 ALA HB1 H 1 1.477 . . 1 . . . A 9 ALA HB1 . 19702 1 50 . 1 1 9 9 ALA HB2 H 1 1.477 . . 1 . . . A 9 ALA HB2 . 19702 1 51 . 1 1 9 9 ALA HB3 H 1 1.477 . . 1 . . . A 9 ALA HB3 . 19702 1 52 . 1 1 10 10 GLN H H 1 8.040 . . 1 . . . A 10 GLN H . 19702 1 53 . 1 1 10 10 GLN HA H 1 4.043 . . 1 . . . A 10 GLN HA . 19702 1 54 . 1 1 10 10 GLN HB2 H 1 2.176 . . 2 . . . A 10 GLN HB2 . 19702 1 55 . 1 1 10 10 GLN HB3 H 1 2.176 . . 2 . . . A 10 GLN HB3 . 19702 1 56 . 1 1 10 10 GLN HG2 H 1 2.374 . . 2 . . . A 10 GLN HG2 . 19702 1 57 . 1 1 10 10 GLN HG3 H 1 2.483 . . 2 . . . A 10 GLN HG3 . 19702 1 58 . 1 1 10 10 GLN HE21 H 1 6.615 . . 2 . . . A 10 GLN HE21 . 19702 1 59 . 1 1 10 10 GLN HE22 H 1 6.955 . . 2 . . . A 10 GLN HE22 . 19702 1 60 . 1 1 11 11 ARG H H 1 7.768 . . 1 . . . A 11 ARG H . 19702 1 61 . 1 1 11 11 ARG HA H 1 4.077 . . 1 . . . A 11 ARG HA . 19702 1 62 . 1 1 11 11 ARG HB2 H 1 1.983 . . 2 . . . A 11 ARG HB2 . 19702 1 63 . 1 1 11 11 ARG HB3 H 1 1.983 . . 2 . . . A 11 ARG HB3 . 19702 1 64 . 1 1 11 11 ARG HG2 H 1 1.720 . . 2 . . . A 11 ARG HG2 . 19702 1 65 . 1 1 11 11 ARG HG3 H 1 1.760 . . 2 . . . A 11 ARG HG3 . 19702 1 66 . 1 1 11 11 ARG HD2 H 1 3.200 . . 2 . . . A 11 ARG HD2 . 19702 1 67 . 1 1 11 11 ARG HD3 H 1 3.200 . . 2 . . . A 11 ARG HD3 . 19702 1 68 . 1 1 11 11 ARG HE H 1 7.189 . . 1 . . . A 11 ARG HE . 19702 1 69 . 1 1 12 12 ILE H H 1 7.777 . . 1 . . . A 12 ILE H . 19702 1 70 . 1 1 12 12 ILE HA H 1 3.913 . . 1 . . . A 12 ILE HA . 19702 1 71 . 1 1 12 12 ILE HB H 1 2.003 . . 1 . . . A 12 ILE HB . 19702 1 72 . 1 1 12 12 ILE HG12 H 1 1.712 . . 2 . . . A 12 ILE HG12 . 19702 1 73 . 1 1 12 12 ILE HG13 H 1 1.197 . . 2 . . . A 12 ILE HG13 . 19702 1 74 . 1 1 12 12 ILE HG21 H 1 0.972 . . 1 . . . A 12 ILE HG21 . 19702 1 75 . 1 1 12 12 ILE HG22 H 1 0.972 . . 1 . . . A 12 ILE HG22 . 19702 1 76 . 1 1 12 12 ILE HG23 H 1 0.972 . . 1 . . . A 12 ILE HG23 . 19702 1 77 . 1 1 12 12 ILE HD11 H 1 0.863 . . 1 . . . A 12 ILE HD11 . 19702 1 78 . 1 1 12 12 ILE HD12 H 1 0.863 . . 1 . . . A 12 ILE HD12 . 19702 1 79 . 1 1 12 12 ILE HD13 H 1 0.863 . . 1 . . . A 12 ILE HD13 . 19702 1 80 . 1 1 13 13 LEU H H 1 7.894 . . 1 . . . A 13 LEU H . 19702 1 81 . 1 1 13 13 LEU HA H 1 4.141 . . 1 . . . A 13 LEU HA . 19702 1 82 . 1 1 13 13 LEU HB2 H 1 1.765 . . 2 . . . A 13 LEU HB2 . 19702 1 83 . 1 1 13 13 LEU HB3 H 1 1.765 . . 2 . . . A 13 LEU HB3 . 19702 1 84 . 1 1 13 13 LEU HD11 H 1 0.929 . . 2 . . . A 13 LEU HD11 . 19702 1 85 . 1 1 13 13 LEU HD12 H 1 0.929 . . 2 . . . A 13 LEU HD12 . 19702 1 86 . 1 1 13 13 LEU HD13 H 1 0.929 . . 2 . . . A 13 LEU HD13 . 19702 1 87 . 1 1 13 13 LEU HD21 H 1 0.929 . . 2 . . . A 13 LEU HD21 . 19702 1 88 . 1 1 13 13 LEU HD22 H 1 0.929 . . 2 . . . A 13 LEU HD22 . 19702 1 89 . 1 1 13 13 LEU HD23 H 1 0.929 . . 2 . . . A 13 LEU HD23 . 19702 1 90 . 1 1 14 14 ILE H H 1 7.832 . . 1 . . . A 14 ILE H . 19702 1 91 . 1 1 14 14 ILE HA H 1 3.798 . . 1 . . . A 14 ILE HA . 19702 1 92 . 1 1 14 14 ILE HB H 1 1.918 . . 1 . . . A 14 ILE HB . 19702 1 93 . 1 1 14 14 ILE HG12 H 1 1.716 . . 2 . . . A 14 ILE HG12 . 19702 1 94 . 1 1 14 14 ILE HG13 H 1 1.277 . . 2 . . . A 14 ILE HG13 . 19702 1 95 . 1 1 14 14 ILE HG21 H 1 0.905 . . 1 . . . A 14 ILE HG21 . 19702 1 96 . 1 1 14 14 ILE HG22 H 1 0.905 . . 1 . . . A 14 ILE HG22 . 19702 1 97 . 1 1 14 14 ILE HG23 H 1 0.905 . . 1 . . . A 14 ILE HG23 . 19702 1 98 . 1 1 14 14 ILE HD11 H 1 0.855 . . 1 . . . A 14 ILE HD11 . 19702 1 99 . 1 1 14 14 ILE HD12 H 1 0.855 . . 1 . . . A 14 ILE HD12 . 19702 1 100 . 1 1 14 14 ILE HD13 H 1 0.855 . . 1 . . . A 14 ILE HD13 . 19702 1 101 . 1 1 15 15 PHE H H 1 7.691 . . 1 . . . A 15 PHE H . 19702 1 102 . 1 1 15 15 PHE HA H 1 4.359 . . 1 . . . A 15 PHE HA . 19702 1 103 . 1 1 15 15 PHE HB2 H 1 3.363 . . 2 . . . A 15 PHE HB2 . 19702 1 104 . 1 1 15 15 PHE HB3 H 1 3.247 . . 2 . . . A 15 PHE HB3 . 19702 1 105 . 1 1 15 15 PHE HE1 H 1 7.256 . . 3 . . . A 15 PHE HE1 . 19702 1 106 . 1 1 15 15 PHE HE2 H 1 7.256 . . 3 . . . A 15 PHE HE2 . 19702 1 107 . 1 1 16 16 LEU H H 1 8.434 . . 1 . . . A 16 LEU H . 19702 1 108 . 1 1 16 16 LEU HA H 1 4.096 . . 1 . . . A 16 LEU HA . 19702 1 109 . 1 1 16 16 LEU HB2 H 1 1.928 . . 2 . . . A 16 LEU HB2 . 19702 1 110 . 1 1 16 16 LEU HB3 H 1 1.928 . . 2 . . . A 16 LEU HB3 . 19702 1 111 . 1 1 16 16 LEU HG H 1 1.735 . . 1 . . . A 16 LEU HG . 19702 1 112 . 1 1 16 16 LEU HD11 H 1 0.951 . . 2 . . . A 16 LEU HD11 . 19702 1 113 . 1 1 16 16 LEU HD12 H 1 0.951 . . 2 . . . A 16 LEU HD12 . 19702 1 114 . 1 1 16 16 LEU HD13 H 1 0.951 . . 2 . . . A 16 LEU HD13 . 19702 1 115 . 1 1 16 16 LEU HD21 H 1 0.912 . . 2 . . . A 16 LEU HD21 . 19702 1 116 . 1 1 16 16 LEU HD22 H 1 0.912 . . 2 . . . A 16 LEU HD22 . 19702 1 117 . 1 1 16 16 LEU HD23 H 1 0.912 . . 2 . . . A 16 LEU HD23 . 19702 1 118 . 1 1 17 17 LEU H H 1 8.494 . . 1 . . . A 17 LEU H . 19702 1 119 . 1 1 17 17 LEU HA H 1 4.106 . . 1 . . . A 17 LEU HA . 19702 1 120 . 1 1 17 17 LEU HB2 H 1 1.898 . . 2 . . . A 17 LEU HB2 . 19702 1 121 . 1 1 17 17 LEU HB3 H 1 1.884 . . 2 . . . A 17 LEU HB3 . 19702 1 122 . 1 1 17 17 LEU HG H 1 1.627 . . 1 . . . A 17 LEU HG . 19702 1 123 . 1 1 17 17 LEU HD11 H 1 0.926 . . 2 . . . A 17 LEU HD11 . 19702 1 124 . 1 1 17 17 LEU HD12 H 1 0.926 . . 2 . . . A 17 LEU HD12 . 19702 1 125 . 1 1 17 17 LEU HD13 H 1 0.926 . . 2 . . . A 17 LEU HD13 . 19702 1 126 . 1 1 17 17 LEU HD21 H 1 0.879 . . 2 . . . A 17 LEU HD21 . 19702 1 127 . 1 1 17 17 LEU HD22 H 1 0.879 . . 2 . . . A 17 LEU HD22 . 19702 1 128 . 1 1 17 17 LEU HD23 H 1 0.879 . . 2 . . . A 17 LEU HD23 . 19702 1 129 . 1 1 18 18 GLU H H 1 8.287 . . 1 . . . A 18 GLU H . 19702 1 130 . 1 1 18 18 GLU HA H 1 3.942 . . 1 . . . A 18 GLU HA . 19702 1 131 . 1 1 18 18 GLU HB2 H 1 2.245 . . 2 . . . A 18 GLU HB2 . 19702 1 132 . 1 1 18 18 GLU HB3 H 1 2.064 . . 2 . . . A 18 GLU HB3 . 19702 1 133 . 1 1 18 18 GLU HG2 H 1 2.667 . . 2 . . . A 18 GLU HG2 . 19702 1 134 . 1 1 18 18 GLU HG3 H 1 2.394 . . 2 . . . A 18 GLU HG3 . 19702 1 135 . 1 1 19 19 PHE H H 1 8.245 . . 1 . . . A 19 PHE H . 19702 1 136 . 1 1 19 19 PHE HA H 1 4.227 . . 1 . . . A 19 PHE HA . 19702 1 137 . 1 1 19 19 PHE HB2 H 1 2.974 . . 2 . . . A 19 PHE HB2 . 19702 1 138 . 1 1 19 19 PHE HB3 H 1 3.238 . . 2 . . . A 19 PHE HB3 . 19702 1 139 . 1 1 19 19 PHE HD1 H 1 7.152 . . 3 . . . A 19 PHE HD1 . 19702 1 140 . 1 1 19 19 PHE HD2 H 1 7.152 . . 3 . . . A 19 PHE HD2 . 19702 1 141 . 1 1 19 19 PHE HE1 H 1 7.254 . . 3 . . . A 19 PHE HE1 . 19702 1 142 . 1 1 19 19 PHE HE2 H 1 7.254 . . 3 . . . A 19 PHE HE2 . 19702 1 143 . 1 1 19 19 PHE HZ H 1 7.095 . . 1 . . . A 19 PHE HZ . 19702 1 144 . 1 1 20 20 LEU H H 1 8.611 . . 1 . . . A 20 LEU H . 19702 1 145 . 1 1 20 20 LEU HA H 1 4.037 . . 1 . . . A 20 LEU HA . 19702 1 146 . 1 1 20 20 LEU HB2 H 1 1.970 . . 2 . . . A 20 LEU HB2 . 19702 1 147 . 1 1 20 20 LEU HB3 H 1 1.970 . . 2 . . . A 20 LEU HB3 . 19702 1 148 . 1 1 20 20 LEU HG H 1 1.628 . . 1 . . . A 20 LEU HG . 19702 1 149 . 1 1 20 20 LEU HD11 H 1 0.866 . . 2 . . . A 20 LEU HD11 . 19702 1 150 . 1 1 20 20 LEU HD12 H 1 0.866 . . 2 . . . A 20 LEU HD12 . 19702 1 151 . 1 1 20 20 LEU HD13 H 1 0.866 . . 2 . . . A 20 LEU HD13 . 19702 1 152 . 1 1 20 20 LEU HD21 H 1 0.928 . . 2 . . . A 20 LEU HD21 . 19702 1 153 . 1 1 20 20 LEU HD22 H 1 0.928 . . 2 . . . A 20 LEU HD22 . 19702 1 154 . 1 1 20 20 LEU HD23 H 1 0.928 . . 2 . . . A 20 LEU HD23 . 19702 1 155 . 1 1 21 21 LEU H H 1 8.567 . . 1 . . . A 21 LEU H . 19702 1 156 . 1 1 21 21 LEU HA H 1 4.114 . . 1 . . . A 21 LEU HA . 19702 1 157 . 1 1 21 21 LEU HB2 H 1 1.837 . . 2 . . . A 21 LEU HB2 . 19702 1 158 . 1 1 21 21 LEU HB3 H 1 1.837 . . 2 . . . A 21 LEU HB3 . 19702 1 159 . 1 1 21 21 LEU HG H 1 1.527 . . 1 . . . A 21 LEU HG . 19702 1 160 . 1 1 21 21 LEU HD11 H 1 0.931 . . 2 . . . A 21 LEU HD11 . 19702 1 161 . 1 1 21 21 LEU HD12 H 1 0.931 . . 2 . . . A 21 LEU HD12 . 19702 1 162 . 1 1 21 21 LEU HD13 H 1 0.931 . . 2 . . . A 21 LEU HD13 . 19702 1 163 . 1 1 21 21 LEU HD21 H 1 0.861 . . 2 . . . A 21 LEU HD21 . 19702 1 164 . 1 1 21 21 LEU HD22 H 1 0.861 . . 2 . . . A 21 LEU HD22 . 19702 1 165 . 1 1 21 21 LEU HD23 H 1 0.861 . . 2 . . . A 21 LEU HD23 . 19702 1 166 . 1 1 22 22 ASP H H 1 8.181 . . 1 . . . A 22 ASP H . 19702 1 167 . 1 1 22 22 ASP HA H 1 4.442 . . 1 . . . A 22 ASP HA . 19702 1 168 . 1 1 22 22 ASP HB2 H 1 2.682 . . 2 . . . A 22 ASP HB2 . 19702 1 169 . 1 1 22 22 ASP HB3 H 1 2.933 . . 2 . . . A 22 ASP HB3 . 19702 1 170 . 1 1 23 23 PHE H H 1 8.327 . . 1 . . . A 23 PHE H . 19702 1 171 . 1 1 23 23 PHE HA H 1 4.332 . . 1 . . . A 23 PHE HA . 19702 1 172 . 1 1 23 23 PHE HB2 H 1 3.108 . . 2 . . . A 23 PHE HB2 . 19702 1 173 . 1 1 23 23 PHE HB3 H 1 2.845 . . 2 . . . A 23 PHE HB3 . 19702 1 174 . 1 1 23 23 PHE HD1 H 1 7.166 . . 3 . . . A 23 PHE HD1 . 19702 1 175 . 1 1 23 23 PHE HD2 H 1 7.166 . . 3 . . . A 23 PHE HD2 . 19702 1 176 . 1 1 23 23 PHE HE1 H 1 7.255 . . 3 . . . A 23 PHE HE1 . 19702 1 177 . 1 1 23 23 PHE HE2 H 1 7.255 . . 3 . . . A 23 PHE HE2 . 19702 1 178 . 1 1 24 24 CYS H H 1 8.409 . . 1 . . . A 24 CYS H . 19702 1 179 . 1 1 24 24 CYS HA H 1 4.295 . . 1 . . . A 24 CYS HA . 19702 1 180 . 1 1 24 24 CYS HB2 H 1 2.974 . . 2 . . . A 24 CYS HB2 . 19702 1 181 . 1 1 24 24 CYS HB3 H 1 3.064 . . 2 . . . A 24 CYS HB3 . 19702 1 182 . 1 1 25 25 THR H H 1 7.868 . . 1 . . . A 25 THR H . 19702 1 183 . 1 1 25 25 THR HA H 1 4.295 . . 1 . . . A 25 THR HA . 19702 1 184 . 1 1 25 25 THR HB H 1 4.339 . . 1 . . . A 25 THR HB . 19702 1 185 . 1 1 25 25 THR HG21 H 1 1.278 . . 1 . . . A 25 THR HG21 . 19702 1 186 . 1 1 25 25 THR HG22 H 1 1.278 . . 1 . . . A 25 THR HG22 . 19702 1 187 . 1 1 25 25 THR HG23 H 1 1.278 . . 1 . . . A 25 THR HG23 . 19702 1 188 . 1 1 26 26 GLY H H 1 7.948 . . 1 . . . A 26 GLY H . 19702 1 189 . 1 1 26 26 GLY HA2 H 1 3.952 . . 2 . . . A 26 GLY HA2 . 19702 1 190 . 1 1 26 26 GLY HA3 H 1 3.952 . . 2 . . . A 26 GLY HA3 . 19702 1 191 . 1 1 27 27 GLU H H 1 8.036 . . 1 . . . A 27 GLU H . 19702 1 192 . 1 1 27 27 GLU HA H 1 4.244 . . 1 . . . A 27 GLU HA . 19702 1 193 . 1 1 27 27 GLU HB2 H 1 2.085 . . 2 . . . A 27 GLU HB2 . 19702 1 194 . 1 1 27 27 GLU HB3 H 1 1.967 . . 2 . . . A 27 GLU HB3 . 19702 1 195 . 1 1 27 27 GLU HG2 H 1 2.370 . . 2 . . . A 27 GLU HG2 . 19702 1 196 . 1 1 27 27 GLU HG3 H 1 2.371 . . 2 . . . A 27 GLU HG3 . 19702 1 197 . 1 1 28 28 ASP H H 1 8.201 . . 1 . . . A 28 ASP H . 19702 1 198 . 1 1 28 28 ASP HA H 1 4.691 . . 1 . . . A 28 ASP HA . 19702 1 199 . 1 1 28 28 ASP HB2 H 1 2.895 . . 2 . . . A 28 ASP HB2 . 19702 1 200 . 1 1 28 28 ASP HB3 H 1 2.829 . . 2 . . . A 28 ASP HB3 . 19702 1 201 . 1 1 29 29 SER H H 1 7.989 . . 1 . . . A 29 SER H . 19702 1 202 . 1 1 29 29 SER HA H 1 4.477 . . 1 . . . A 29 SER HA . 19702 1 203 . 1 1 29 29 SER HB2 H 1 3.966 . . 2 . . . A 29 SER HB2 . 19702 1 204 . 1 1 29 29 SER HB3 H 1 3.882 . . 2 . . . A 29 SER HB3 . 19702 1 205 . 1 1 30 30 VAL H H 1 7.950 . . 1 . . . A 30 VAL H . 19702 1 206 . 1 1 30 30 VAL HA H 1 4.105 . . 1 . . . A 30 VAL HA . 19702 1 207 . 1 1 30 30 VAL HB H 1 2.170 . . 1 . . . A 30 VAL HB . 19702 1 208 . 1 1 30 30 VAL HG11 H 1 0.973 . . 2 . . . A 30 VAL HG11 . 19702 1 209 . 1 1 30 30 VAL HG12 H 1 0.973 . . 2 . . . A 30 VAL HG12 . 19702 1 210 . 1 1 30 30 VAL HG13 H 1 0.973 . . 2 . . . A 30 VAL HG13 . 19702 1 211 . 1 1 30 30 VAL HG21 H 1 0.973 . . 2 . . . A 30 VAL HG21 . 19702 1 212 . 1 1 30 30 VAL HG22 H 1 0.973 . . 2 . . . A 30 VAL HG22 . 19702 1 213 . 1 1 30 30 VAL HG23 H 1 0.973 . . 2 . . . A 30 VAL HG23 . 19702 1 214 . 1 1 31 31 ASP H H 1 8.182 . . 1 . . . A 31 ASP H . 19702 1 215 . 1 1 31 31 ASP HA H 1 4.655 . . 1 . . . A 31 ASP HA . 19702 1 216 . 1 1 31 31 ASP HB2 H 1 2.847 . . 2 . . . A 31 ASP HB2 . 19702 1 217 . 1 1 31 31 ASP HB3 H 1 2.847 . . 2 . . . A 31 ASP HB3 . 19702 1 218 . 1 1 32 32 GLY H H 1 8.124 . . 1 . . . A 32 GLY H . 19702 1 219 . 1 1 32 32 GLY HA2 H 1 3.950 . . 2 . . . A 32 GLY HA2 . 19702 1 220 . 1 1 32 32 GLY HA3 H 1 3.950 . . 2 . . . A 32 GLY HA3 . 19702 1 221 . 1 1 33 33 LYS H H 1 7.891 . . 1 . . . A 33 LYS H . 19702 1 222 . 1 1 33 33 LYS HA H 1 4.347 . . 1 . . . A 33 LYS HA . 19702 1 223 . 1 1 33 33 LYS HB2 H 1 1.834 . . 2 . . . A 33 LYS HB2 . 19702 1 224 . 1 1 33 33 LYS HB3 H 1 1.834 . . 2 . . . A 33 LYS HB3 . 19702 1 225 . 1 1 33 33 LYS HG2 H 1 1.462 . . 2 . . . A 33 LYS HG2 . 19702 1 226 . 1 1 33 33 LYS HG3 H 1 1.462 . . 2 . . . A 33 LYS HG3 . 19702 1 227 . 1 1 33 33 LYS HD2 H 1 1.702 . . 2 . . . A 33 LYS HD2 . 19702 1 228 . 1 1 33 33 LYS HD3 H 1 1.702 . . 2 . . . A 33 LYS HD3 . 19702 1 229 . 1 1 33 33 LYS HE2 H 1 3.006 . . 2 . . . A 33 LYS HE2 . 19702 1 230 . 1 1 33 33 LYS HE3 H 1 3.006 . . 2 . . . A 33 LYS HE3 . 19702 1 231 . 1 1 34 34 LYS H H 1 8.049 . . 1 . . . A 34 LYS H . 19702 1 232 . 1 1 34 34 LYS HA H 1 4.348 . . 1 . . . A 34 LYS HA . 19702 1 233 . 1 1 34 34 LYS HB2 H 1 1.758 . . 2 . . . A 34 LYS HB2 . 19702 1 234 . 1 1 34 34 LYS HB3 H 1 1.910 . . 2 . . . A 34 LYS HB3 . 19702 1 235 . 1 1 34 34 LYS HG2 H 1 1.493 . . 2 . . . A 34 LYS HG2 . 19702 1 236 . 1 1 34 34 LYS HG3 H 1 1.493 . . 2 . . . A 34 LYS HG3 . 19702 1 237 . 1 1 34 34 LYS HD2 H 1 1.646 . . 2 . . . A 34 LYS HD2 . 19702 1 238 . 1 1 34 34 LYS HD3 H 1 1.646 . . 2 . . . A 34 LYS HD3 . 19702 1 239 . 1 1 34 34 LYS HE2 H 1 3.204 . . 2 . . . A 34 LYS HE2 . 19702 1 240 . 1 1 34 34 LYS HE3 H 1 3.204 . . 2 . . . A 34 LYS HE3 . 19702 1 241 . 1 1 35 35 ARG H H 1 8.155 . . 1 . . . A 35 ARG H . 19702 1 242 . 1 1 35 35 ARG HA H 1 4.365 . . 1 . . . A 35 ARG HA . 19702 1 243 . 1 1 35 35 ARG HB2 H 1 1.785 . . 2 . . . A 35 ARG HB2 . 19702 1 244 . 1 1 35 35 ARG HB3 H 1 1.901 . . 2 . . . A 35 ARG HB3 . 19702 1 245 . 1 1 35 35 ARG HG2 H 1 1.679 . . 2 . . . A 35 ARG HG2 . 19702 1 246 . 1 1 35 35 ARG HG3 H 1 1.679 . . 2 . . . A 35 ARG HG3 . 19702 1 247 . 1 1 35 35 ARG HD2 H 1 3.207 . . 2 . . . A 35 ARG HD2 . 19702 1 248 . 1 1 35 35 ARG HD3 H 1 3.207 . . 2 . . . A 35 ARG HD3 . 19702 1 249 . 1 1 36 36 GLN H H 1 7.918 . . 1 . . . A 36 GLN H . 19702 1 250 . 1 1 36 36 GLN HA H 1 4.264 . . 1 . . . A 36 GLN HA . 19702 1 251 . 1 1 36 36 GLN HB2 H 1 2.146 . . 2 . . . A 36 GLN HB2 . 19702 1 252 . 1 1 36 36 GLN HB3 H 1 1.991 . . 2 . . . A 36 GLN HB3 . 19702 1 253 . 1 1 36 36 GLN HG2 H 1 2.330 . . 2 . . . A 36 GLN HG2 . 19702 1 254 . 1 1 36 36 GLN HG3 H 1 2.330 . . 2 . . . A 36 GLN HG3 . 19702 1 255 . 1 1 36 36 GLN HE21 H 1 6.648 . . 2 . . . A 36 GLN HE21 . 19702 1 256 . 1 1 36 36 GLN HE22 H 1 7.414 . . 2 . . . A 36 GLN HE22 . 19702 1 stop_ save_