################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34250 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 TOCSY' . . . 34250 1 2 '2D 1H-1H NOESY' . . . 34250 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 PHE HA H 1 4.307 0.003 . . . . . . A 1 PHE HA . 34250 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.260 0.000 . . . . . . A 1 PHE HB2 . 34250 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.260 0.000 . . . . . . A 1 PHE HB3 . 34250 1 4 . 1 . 1 2 2 LEU H H 1 7.901 0.005 . . . . . . A 2 LEU H . 34250 1 5 . 1 . 1 2 2 LEU HA H 1 4.726 0.002 . . . . . . A 2 LEU HA . 34250 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.628 0.002 . . . . . . A 2 LEU HB2 . 34250 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.628 0.002 . . . . . . A 2 LEU HB3 . 34250 1 8 . 1 . 1 2 2 LEU HG H 1 1.561 0.000 . . . . . . A 2 LEU HG . 34250 1 9 . 1 . 1 2 2 LEU HD11 H 1 0.966 0.000 . . . . . . A 2 LEU HD11 . 34250 1 10 . 1 . 1 2 2 LEU HD12 H 1 0.966 0.000 . . . . . . A 2 LEU HD12 . 34250 1 11 . 1 . 1 2 2 LEU HD13 H 1 0.966 0.000 . . . . . . A 2 LEU HD13 . 34250 1 12 . 1 . 1 2 2 LEU HD21 H 1 0.966 0.000 . . . . . . A 2 LEU HD21 . 34250 1 13 . 1 . 1 2 2 LEU HD22 H 1 0.966 0.000 . . . . . . A 2 LEU HD22 . 34250 1 14 . 1 . 1 2 2 LEU HD23 H 1 0.966 0.000 . . . . . . A 2 LEU HD23 . 34250 1 15 . 1 . 1 3 3 PRO HA H 1 4.447 0.002 . . . . . . A 3 PRO HA . 34250 1 16 . 1 . 1 3 3 PRO HB2 H 1 2.357 0.003 . . . . . . A 3 PRO HB2 . 34250 1 17 . 1 . 1 3 3 PRO HB3 H 1 2.078 0.003 . . . . . . A 3 PRO HB3 . 34250 1 18 . 1 . 1 3 3 PRO HG2 H 1 2.097 0.000 . . . . . . A 3 PRO HG2 . 34250 1 19 . 1 . 1 3 3 PRO HG3 H 1 2.097 0.000 . . . . . . A 3 PRO HG3 . 34250 1 20 . 1 . 1 3 3 PRO HD2 H 1 3.802 0.005 . . . . . . A 3 PRO HD2 . 34250 1 21 . 1 . 1 3 3 PRO HD3 H 1 3.551 0.003 . . . . . . A 3 PRO HD3 . 34250 1 22 . 1 . 1 4 4 ILE H H 1 7.578 0.002 . . . . . . A 4 ILE H . 34250 1 23 . 1 . 1 4 4 ILE HA H 1 4.052 0.005 . . . . . . A 4 ILE HA . 34250 1 24 . 1 . 1 4 4 ILE HB H 1 1.923 0.003 . . . . . . A 4 ILE HB . 34250 1 25 . 1 . 1 4 4 ILE HG12 H 1 1.299 0.001 . . . . . . A 4 ILE HG12 . 34250 1 26 . 1 . 1 4 4 ILE HG13 H 1 1.570 0.003 . . . . . . A 4 ILE HG13 . 34250 1 27 . 1 . 1 4 4 ILE HG21 H 1 0.982 0.002 . . . . . . A 4 ILE HG21 . 34250 1 28 . 1 . 1 4 4 ILE HG22 H 1 0.982 0.002 . . . . . . A 4 ILE HG22 . 34250 1 29 . 1 . 1 4 4 ILE HG23 H 1 0.982 0.002 . . . . . . A 4 ILE HG23 . 34250 1 30 . 1 . 1 4 4 ILE HD11 H 1 0.987 0.000 . . . . . . A 4 ILE HD11 . 34250 1 31 . 1 . 1 4 4 ILE HD12 H 1 0.987 0.000 . . . . . . A 4 ILE HD12 . 34250 1 32 . 1 . 1 4 4 ILE HD13 H 1 0.987 0.000 . . . . . . A 4 ILE HD13 . 34250 1 33 . 1 . 1 5 5 LEU H H 1 7.503 0.003 . . . . . . A 5 LEU H . 34250 1 34 . 1 . 1 5 5 LEU HA H 1 4.178 0.004 . . . . . . A 5 LEU HA . 34250 1 35 . 1 . 1 5 5 LEU HB2 H 1 1.720 0.001 . . . . . . A 5 LEU HB2 . 34250 1 36 . 1 . 1 5 5 LEU HB3 H 1 1.720 0.001 . . . . . . A 5 LEU HB3 . 34250 1 37 . 1 . 1 5 5 LEU HD11 H 1 1.000 0.001 . . . . . . A 5 LEU HD11 . 34250 1 38 . 1 . 1 5 5 LEU HD12 H 1 1.000 0.001 . . . . . . A 5 LEU HD12 . 34250 1 39 . 1 . 1 5 5 LEU HD13 H 1 1.000 0.001 . . . . . . A 5 LEU HD13 . 34250 1 40 . 1 . 1 5 5 LEU HD21 H 1 0.921 0.000 . . . . . . A 5 LEU HD21 . 34250 1 41 . 1 . 1 5 5 LEU HD22 H 1 0.921 0.000 . . . . . . A 5 LEU HD22 . 34250 1 42 . 1 . 1 5 5 LEU HD23 H 1 0.921 0.000 . . . . . . A 5 LEU HD23 . 34250 1 43 . 1 . 1 6 6 ALA H H 1 7.730 0.002 . . . . . . A 6 ALA H . 34250 1 44 . 1 . 1 6 6 ALA HA H 1 4.119 0.004 . . . . . . A 6 ALA HA . 34250 1 45 . 1 . 1 6 6 ALA HB1 H 1 1.521 0.003 . . . . . . A 6 ALA HB1 . 34250 1 46 . 1 . 1 6 6 ALA HB2 H 1 1.521 0.003 . . . . . . A 6 ALA HB2 . 34250 1 47 . 1 . 1 6 6 ALA HB3 H 1 1.521 0.003 . . . . . . A 6 ALA HB3 . 34250 1 48 . 1 . 1 7 7 SER H H 1 7.837 0.002 . . . . . . A 7 SER H . 34250 1 49 . 1 . 1 7 7 SER HA H 1 4.272 0.003 . . . . . . A 7 SER HA . 34250 1 50 . 1 . 1 7 7 SER HB2 H 1 4.088 0.002 . . . . . . A 7 SER HB2 . 34250 1 51 . 1 . 1 7 7 SER HB3 H 1 3.980 0.001 . . . . . . A 7 SER HB3 . 34250 1 52 . 1 . 1 8 8 LEU H H 1 8.033 0.003 . . . . . . A 8 LEU H . 34250 1 53 . 1 . 1 8 8 LEU HA H 1 4.258 0.006 . . . . . . A 8 LEU HA . 34250 1 54 . 1 . 1 8 8 LEU HB2 H 1 2.046 0.007 . . . . . . A 8 LEU HB2 . 34250 1 55 . 1 . 1 8 8 LEU HB3 H 1 1.632 0.000 . . . . . . A 8 LEU HB3 . 34250 1 56 . 1 . 1 8 8 LEU HG H 1 1.921 0.003 . . . . . . A 8 LEU HG . 34250 1 57 . 1 . 1 8 8 LEU HD11 H 1 0.946 0.003 . . . . . . A 8 LEU HD11 . 34250 1 58 . 1 . 1 8 8 LEU HD12 H 1 0.946 0.003 . . . . . . A 8 LEU HD12 . 34250 1 59 . 1 . 1 8 8 LEU HD13 H 1 0.946 0.003 . . . . . . A 8 LEU HD13 . 34250 1 60 . 1 . 1 8 8 LEU HD21 H 1 0.946 0.003 . . . . . . A 8 LEU HD21 . 34250 1 61 . 1 . 1 8 8 LEU HD22 H 1 0.946 0.003 . . . . . . A 8 LEU HD22 . 34250 1 62 . 1 . 1 8 8 LEU HD23 H 1 0.946 0.003 . . . . . . A 8 LEU HD23 . 34250 1 63 . 1 . 1 9 9 ALA H H 1 8.498 0.002 . . . . . . A 9 ALA H . 34250 1 64 . 1 . 1 9 9 ALA HA H 1 4.066 0.004 . . . . . . A 9 ALA HA . 34250 1 65 . 1 . 1 9 9 ALA HB1 H 1 1.449 0.001 . . . . . . A 9 ALA HB1 . 34250 1 66 . 1 . 1 9 9 ALA HB2 H 1 1.449 0.001 . . . . . . A 9 ALA HB2 . 34250 1 67 . 1 . 1 9 9 ALA HB3 H 1 1.449 0.001 . . . . . . A 9 ALA HB3 . 34250 1 68 . 1 . 1 10 10 ALA H H 1 7.878 0.002 . . . . . . A 10 ALA H . 34250 1 69 . 1 . 1 10 10 ALA HA H 1 4.147 0.003 . . . . . . A 10 ALA HA . 34250 1 70 . 1 . 1 10 10 ALA HB1 H 1 1.545 0.001 . . . . . . A 10 ALA HB1 . 34250 1 71 . 1 . 1 10 10 ALA HB2 H 1 1.545 0.001 . . . . . . A 10 ALA HB2 . 34250 1 72 . 1 . 1 10 10 ALA HB3 H 1 1.545 0.001 . . . . . . A 10 ALA HB3 . 34250 1 73 . 1 . 1 11 11 LYS H H 1 7.615 0.003 . . . . . . A 11 LYS H . 34250 1 74 . 1 . 1 11 11 LYS HA H 1 4.146 0.003 . . . . . . A 11 LYS HA . 34250 1 75 . 1 . 1 11 11 LYS HB2 H 1 1.720 0.001 . . . . . . A 11 LYS HB2 . 34250 1 76 . 1 . 1 11 11 LYS HB3 H 1 1.533 0.007 . . . . . . A 11 LYS HB3 . 34250 1 77 . 1 . 1 11 11 LYS HG2 H 1 0.974 0.005 . . . . . . A 11 LYS HG2 . 34250 1 78 . 1 . 1 11 11 LYS HG3 H 1 1.168 0.000 . . . . . . A 11 LYS HG3 . 34250 1 79 . 1 . 1 11 11 LYS HD2 H 1 1.539 0.000 . . . . . . A 11 LYS HD2 . 34250 1 80 . 1 . 1 11 11 LYS HD3 H 1 1.539 0.000 . . . . . . A 11 LYS HD3 . 34250 1 81 . 1 . 1 11 11 LYS HE2 H 1 2.840 0.000 . . . . . . A 11 LYS HE2 . 34250 1 82 . 1 . 1 11 11 LYS HE3 H 1 2.894 0.005 . . . . . . A 11 LYS HE3 . 34250 1 83 . 1 . 1 11 11 LYS HZ1 H 1 7.566 0.002 . . . . . . A 11 LYS HZ1 . 34250 1 84 . 1 . 1 11 11 LYS HZ2 H 1 7.566 0.002 . . . . . . A 11 LYS HZ2 . 34250 1 85 . 1 . 1 11 11 LYS HZ3 H 1 7.566 0.002 . . . . . . A 11 LYS HZ3 . 34250 1 86 . 1 . 1 12 12 PHE H H 1 8.397 0.002 . . . . . . A 12 PHE H . 34250 1 87 . 1 . 1 12 12 PHE HA H 1 4.723 0.001 . . . . . . A 12 PHE HA . 34250 1 88 . 1 . 1 12 12 PHE HB2 H 1 3.241 0.004 . . . . . . A 12 PHE HB2 . 34250 1 89 . 1 . 1 12 12 PHE HB3 H 1 2.980 0.002 . . . . . . A 12 PHE HB3 . 34250 1 90 . 1 . 1 12 12 PHE HD1 H 1 7.340 0.001 . . . . . . A 12 PHE HD1 . 34250 1 91 . 1 . 1 12 12 PHE HD2 H 1 7.340 0.001 . . . . . . A 12 PHE HD2 . 34250 1 92 . 1 . 1 12 12 PHE HE1 H 1 7.309 0.000 . . . . . . A 12 PHE HE1 . 34250 1 93 . 1 . 1 13 13 GLY H H 1 8.317 0.002 . . . . . . A 13 GLY H . 34250 1 94 . 1 . 1 13 13 GLY HA2 H 1 4.002 0.002 . . . . . . A 13 GLY HA2 . 34250 1 95 . 1 . 1 13 13 GLY HA3 H 1 4.359 0.008 . . . . . . A 13 GLY HA3 . 34250 1 96 . 1 . 1 14 14 PRO HA H 1 4.411 0.001 . . . . . . A 14 PRO HA . 34250 1 97 . 1 . 1 14 14 PRO HB2 H 1 2.060 0.009 . . . . . . A 14 PRO HB2 . 34250 1 98 . 1 . 1 14 14 PRO HB3 H 1 2.427 0.002 . . . . . . A 14 PRO HB3 . 34250 1 99 . 1 . 1 14 14 PRO HG2 H 1 2.132 0.002 . . . . . . A 14 PRO HG2 . 34250 1 100 . 1 . 1 14 14 PRO HG3 H 1 2.132 0.002 . . . . . . A 14 PRO HG3 . 34250 1 101 . 1 . 1 14 14 PRO HD2 H 1 3.741 0.002 . . . . . . A 14 PRO HD2 . 34250 1 102 . 1 . 1 14 14 PRO HD3 H 1 3.869 0.005 . . . . . . A 14 PRO HD3 . 34250 1 103 . 1 . 1 15 15 LYS H H 1 7.830 0.002 . . . . . . A 15 LYS H . 34250 1 104 . 1 . 1 15 15 LYS HA H 1 4.169 0.004 . . . . . . A 15 LYS HA . 34250 1 105 . 1 . 1 15 15 LYS HB2 H 1 1.982 0.007 . . . . . . A 15 LYS HB2 . 34250 1 106 . 1 . 1 15 15 LYS HB3 H 1 2.025 0.005 . . . . . . A 15 LYS HB3 . 34250 1 107 . 1 . 1 15 15 LYS HG2 H 1 1.634 0.002 . . . . . . A 15 LYS HG2 . 34250 1 108 . 1 . 1 15 15 LYS HG3 H 1 1.634 0.002 . . . . . . A 15 LYS HG3 . 34250 1 109 . 1 . 1 15 15 LYS HD2 H 1 1.797 0.002 . . . . . . A 15 LYS HD2 . 34250 1 110 . 1 . 1 15 15 LYS HD3 H 1 1.797 0.002 . . . . . . A 15 LYS HD3 . 34250 1 111 . 1 . 1 15 15 LYS HE3 H 1 3.046 0.000 . . . . . . A 15 LYS HE3 . 34250 1 112 . 1 . 1 16 16 LEU H H 1 8.045 0.005 . . . . . . A 16 LEU H . 34250 1 113 . 1 . 1 16 16 LEU HA H 1 4.074 0.005 . . . . . . A 16 LEU HA . 34250 1 114 . 1 . 1 16 16 LEU HB2 H 1 1.782 0.002 . . . . . . A 16 LEU HB2 . 34250 1 115 . 1 . 1 16 16 LEU HB3 H 1 1.656 0.005 . . . . . . A 16 LEU HB3 . 34250 1 116 . 1 . 1 16 16 LEU HD11 H 1 0.883 0.000 . . . . . . A 16 LEU HD11 . 34250 1 117 . 1 . 1 16 16 LEU HD12 H 1 0.883 0.000 . . . . . . A 16 LEU HD12 . 34250 1 118 . 1 . 1 16 16 LEU HD13 H 1 0.883 0.000 . . . . . . A 16 LEU HD13 . 34250 1 119 . 1 . 1 16 16 LEU HD21 H 1 0.883 0.000 . . . . . . A 16 LEU HD21 . 34250 1 120 . 1 . 1 16 16 LEU HD22 H 1 0.883 0.000 . . . . . . A 16 LEU HD22 . 34250 1 121 . 1 . 1 16 16 LEU HD23 H 1 0.883 0.000 . . . . . . A 16 LEU HD23 . 34250 1 122 . 1 . 1 17 17 PHE H H 1 7.913 0.005 . . . . . . A 17 PHE H . 34250 1 123 . 1 . 1 17 17 PHE HA H 1 4.141 0.003 . . . . . . A 17 PHE HA . 34250 1 124 . 1 . 1 17 17 PHE HB2 H 1 3.214 0.005 . . . . . . A 17 PHE HB2 . 34250 1 125 . 1 . 1 17 17 PHE HB3 H 1 3.214 0.005 . . . . . . A 17 PHE HB3 . 34250 1 126 . 1 . 1 17 17 PHE HD1 H 1 7.184 0.000 . . . . . . A 17 PHE HD1 . 34250 1 127 . 1 . 1 17 17 PHE HD2 H 1 7.184 0.000 . . . . . . A 17 PHE HD2 . 34250 1 128 . 1 . 1 17 17 PHE HE1 H 1 7.280 0.000 . . . . . . A 17 PHE HE1 . 34250 1 129 . 1 . 1 17 17 PHE HE2 H 1 7.280 0.000 . . . . . . A 17 PHE HE2 . 34250 1 130 . 1 . 1 17 17 PHE HZ H 1 7.241 0.000 . . . . . . A 17 PHE HZ . 34250 1 131 . 1 . 1 18 18 CYS H H 1 8.058 0.003 . . . . . . A 18 CYS H . 34250 1 132 . 1 . 1 18 18 CYS HA H 1 4.331 0.005 . . . . . . A 18 CYS HA . 34250 1 133 . 1 . 1 18 18 CYS HB2 H 1 3.278 0.006 . . . . . . A 18 CYS HB2 . 34250 1 134 . 1 . 1 18 18 CYS HB3 H 1 3.109 0.003 . . . . . . A 18 CYS HB3 . 34250 1 135 . 1 . 1 19 19 LEU H H 1 7.975 0.003 . . . . . . A 19 LEU H . 34250 1 136 . 1 . 1 19 19 LEU HA H 1 4.124 0.004 . . . . . . A 19 LEU HA . 34250 1 137 . 1 . 1 19 19 LEU HB2 H 1 1.657 0.003 . . . . . . A 19 LEU HB2 . 34250 1 138 . 1 . 1 19 19 LEU HB3 H 1 1.858 0.003 . . . . . . A 19 LEU HB3 . 34250 1 139 . 1 . 1 19 19 LEU HG H 1 1.672 0.006 . . . . . . A 19 LEU HG . 34250 1 140 . 1 . 1 19 19 LEU HD11 H 1 0.753 0.000 . . . . . . A 19 LEU HD11 . 34250 1 141 . 1 . 1 19 19 LEU HD12 H 1 0.753 0.000 . . . . . . A 19 LEU HD12 . 34250 1 142 . 1 . 1 19 19 LEU HD13 H 1 0.753 0.000 . . . . . . A 19 LEU HD13 . 34250 1 143 . 1 . 1 19 19 LEU HD21 H 1 0.806 0.000 . . . . . . A 19 LEU HD21 . 34250 1 144 . 1 . 1 19 19 LEU HD22 H 1 0.806 0.000 . . . . . . A 19 LEU HD22 . 34250 1 145 . 1 . 1 19 19 LEU HD23 H 1 0.806 0.000 . . . . . . A 19 LEU HD23 . 34250 1 146 . 1 . 1 20 20 VAL H H 1 8.177 0.003 . . . . . . A 20 VAL H . 34250 1 147 . 1 . 1 20 20 VAL HA H 1 3.803 0.002 . . . . . . A 20 VAL HA . 34250 1 148 . 1 . 1 20 20 VAL HB H 1 2.037 0.004 . . . . . . A 20 VAL HB . 34250 1 149 . 1 . 1 20 20 VAL HG11 H 1 1.022 0.001 . . . . . . A 20 VAL HG11 . 34250 1 150 . 1 . 1 20 20 VAL HG12 H 1 1.022 0.001 . . . . . . A 20 VAL HG12 . 34250 1 151 . 1 . 1 20 20 VAL HG13 H 1 1.022 0.001 . . . . . . A 20 VAL HG13 . 34250 1 152 . 1 . 1 20 20 VAL HG21 H 1 0.908 0.002 . . . . . . A 20 VAL HG21 . 34250 1 153 . 1 . 1 20 20 VAL HG22 H 1 0.908 0.002 . . . . . . A 20 VAL HG22 . 34250 1 154 . 1 . 1 20 20 VAL HG23 H 1 0.908 0.002 . . . . . . A 20 VAL HG23 . 34250 1 155 . 1 . 1 21 21 THR H H 1 7.792 0.004 . . . . . . A 21 THR H . 34250 1 156 . 1 . 1 21 21 THR HA H 1 4.118 0.003 . . . . . . A 21 THR HA . 34250 1 157 . 1 . 1 21 21 THR HB H 1 4.029 0.004 . . . . . . A 21 THR HB . 34250 1 158 . 1 . 1 21 21 THR HG21 H 1 0.907 0.003 . . . . . . A 21 THR HG21 . 34250 1 159 . 1 . 1 21 21 THR HG22 H 1 0.907 0.003 . . . . . . A 21 THR HG22 . 34250 1 160 . 1 . 1 21 21 THR HG23 H 1 0.907 0.003 . . . . . . A 21 THR HG23 . 34250 1 161 . 1 . 1 22 22 LYS H H 1 7.936 0.003 . . . . . . A 22 LYS H . 34250 1 162 . 1 . 1 22 22 LYS HA H 1 4.219 0.004 . . . . . . A 22 LYS HA . 34250 1 163 . 1 . 1 22 22 LYS HB2 H 1 2.213 0.004 . . . . . . A 22 LYS HB2 . 34250 1 164 . 1 . 1 22 22 LYS HB3 H 1 2.156 0.004 . . . . . . A 22 LYS HB3 . 34250 1 165 . 1 . 1 22 22 LYS HG2 H 1 1.433 0.003 . . . . . . A 22 LYS HG2 . 34250 1 166 . 1 . 1 22 22 LYS HG3 H 1 1.433 0.003 . . . . . . A 22 LYS HG3 . 34250 1 167 . 1 . 1 22 22 LYS HD2 H 1 1.783 0.000 . . . . . . A 22 LYS HD2 . 34250 1 168 . 1 . 1 22 22 LYS HD3 H 1 1.783 0.000 . . . . . . A 22 LYS HD3 . 34250 1 169 . 1 . 1 22 22 LYS HE2 H 1 3.088 0.000 . . . . . . A 22 LYS HE2 . 34250 1 170 . 1 . 1 22 22 LYS HE3 H 1 3.088 0.000 . . . . . . A 22 LYS HE3 . 34250 1 171 . 1 . 1 22 22 LYS HZ1 H 1 7.580 0.000 . . . . . . A 22 LYS HZ1 . 34250 1 172 . 1 . 1 22 22 LYS HZ2 H 1 7.580 0.000 . . . . . . A 22 LYS HZ2 . 34250 1 173 . 1 . 1 22 22 LYS HZ3 H 1 7.580 0.000 . . . . . . A 22 LYS HZ3 . 34250 1 174 . 1 . 1 23 23 LYS H H 1 7.795 0.003 . . . . . . A 23 LYS H . 34250 1 175 . 1 . 1 23 23 LYS HA H 1 4.461 0.005 . . . . . . A 23 LYS HA . 34250 1 176 . 1 . 1 23 23 LYS HB2 H 1 1.715 0.000 . . . . . . A 23 LYS HB2 . 34250 1 177 . 1 . 1 23 23 LYS HB3 H 1 2.075 0.001 . . . . . . A 23 LYS HB3 . 34250 1 178 . 1 . 1 23 23 LYS HG2 H 1 1.451 0.008 . . . . . . A 23 LYS HG2 . 34250 1 179 . 1 . 1 23 23 LYS HG3 H 1 1.451 0.008 . . . . . . A 23 LYS HG3 . 34250 1 180 . 1 . 1 23 23 LYS HD2 H 1 1.702 0.000 . . . . . . A 23 LYS HD2 . 34250 1 181 . 1 . 1 23 23 LYS HD3 H 1 1.702 0.000 . . . . . . A 23 LYS HD3 . 34250 1 182 . 1 . 1 23 23 LYS HE2 H 1 3.083 0.001 . . . . . . A 23 LYS HE2 . 34250 1 183 . 1 . 1 23 23 LYS HE3 H 1 3.083 0.001 . . . . . . A 23 LYS HE3 . 34250 1 184 . 1 . 1 23 23 LYS HZ1 H 1 7.584 0.000 . . . . . . A 23 LYS HZ1 . 34250 1 185 . 1 . 1 23 23 LYS HZ2 H 1 7.584 0.000 . . . . . . A 23 LYS HZ2 . 34250 1 186 . 1 . 1 23 23 LYS HZ3 H 1 7.584 0.000 . . . . . . A 23 LYS HZ3 . 34250 1 187 . 1 . 1 24 24 CYS H H 1 7.800 0.003 . . . . . . A 24 CYS H . 34250 1 188 . 1 . 1 24 24 CYS HA H 1 4.501 0.003 . . . . . . A 24 CYS HA . 34250 1 189 . 1 . 1 24 24 CYS HB2 H 1 3.471 0.003 . . . . . . A 24 CYS HB2 . 34250 1 190 . 1 . 1 24 24 CYS HB3 H 1 3.471 0.003 . . . . . . A 24 CYS HB3 . 34250 1 stop_ save_