################################### # 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 15665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ranatuerin-2CSa_c _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 TOCSY' . . . 15665 1 2 '2D 1H-1H NOESY' . . . 15665 1 3 '2D DQF-COSY' . . . 15665 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.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 GLY HA2 H 1 3.971 0.000 . 2 . . . . . 1 GLY HA2 . 15665 1 2 . 1 1 1 1 GLY HA3 H 1 3.877 0.000 . 2 . . . . . 1 GLY HA3 . 15665 1 3 . 1 1 2 2 ILE H H 1 8.487 0.001 . 1 . . . . . 2 ILE H . 15665 1 4 . 1 1 2 2 ILE HA H 1 4.097 0.001 . 1 . . . . . 2 ILE HA . 15665 1 5 . 1 1 2 2 ILE HB H 1 1.854 0.001 . 1 . . . . . 2 ILE HB . 15665 1 6 . 1 1 2 2 ILE HD11 H 1 0.919 0.000 . 2 . . . . . 2 ILE QD1 . 15665 1 7 . 1 1 2 2 ILE HD12 H 1 0.919 0.000 . 2 . . . . . 2 ILE QD1 . 15665 1 8 . 1 1 2 2 ILE HD13 H 1 0.919 0.000 . 2 . . . . . 2 ILE QD1 . 15665 1 9 . 1 1 2 2 ILE HG12 H 1 1.525 0.000 . 2 . . . . . 2 ILE HG12 . 15665 1 10 . 1 1 2 2 ILE HG13 H 1 1.237 0.008 . 2 . . . . . 2 ILE HG13 . 15665 1 11 . 1 1 2 2 ILE HG21 H 1 0.956 0.003 . 2 . . . . . 2 ILE QG2 . 15665 1 12 . 1 1 2 2 ILE HG22 H 1 0.956 0.003 . 2 . . . . . 2 ILE QG2 . 15665 1 13 . 1 1 2 2 ILE HG23 H 1 0.956 0.003 . 2 . . . . . 2 ILE QG2 . 15665 1 14 . 1 1 3 3 LEU H H 1 8.041 0.002 . 1 . . . . . 3 LEU H . 15665 1 15 . 1 1 3 3 LEU HA H 1 4.339 0.002 . 1 . . . . . 3 LEU HA . 15665 1 16 . 1 1 3 3 LEU HB2 H 1 1.721 0.001 . 2 . . . . . 3 LEU HB2 . 15665 1 17 . 1 1 3 3 LEU HB3 H 1 1.668 0.003 . 2 . . . . . 3 LEU HB3 . 15665 1 18 . 1 1 3 3 LEU HD11 H 1 0.954 0.002 . 3 . . . . . 3 LEU QD1 . 15665 1 19 . 1 1 3 3 LEU HD12 H 1 0.954 0.002 . 3 . . . . . 3 LEU QD1 . 15665 1 20 . 1 1 3 3 LEU HD13 H 1 0.954 0.002 . 3 . . . . . 3 LEU QD1 . 15665 1 21 . 1 1 3 3 LEU HD21 H 1 0.895 0.001 . 3 . . . . . 3 LEU QD2 . 15665 1 22 . 1 1 3 3 LEU HD22 H 1 0.895 0.001 . 3 . . . . . 3 LEU QD2 . 15665 1 23 . 1 1 3 3 LEU HD23 H 1 0.895 0.001 . 3 . . . . . 3 LEU QD2 . 15665 1 24 . 1 1 4 4 SER H H 1 8.024 0.001 . 1 . . . . . 4 SER H . 15665 1 25 . 1 1 4 4 SER HA H 1 4.301 0.001 . 1 . . . . . 4 SER HA . 15665 1 26 . 1 1 4 4 SER HB2 H 1 4.002 0.001 . 2 . . . . . 4 SER HB2 . 15665 1 27 . 1 1 4 4 SER HB3 H 1 3.917 0.000 . 2 . . . . . 4 SER HB3 . 15665 1 28 . 1 1 5 5 SER H H 1 8.030 0.003 . 1 . . . . . 5 SER H . 15665 1 29 . 1 1 5 5 SER HA H 1 4.418 0.001 . 1 . . . . . 5 SER HA . 15665 1 30 . 1 1 5 5 SER HB2 H 1 3.954 0.001 . 2 . . . . . 5 SER HB2 . 15665 1 31 . 1 1 5 5 SER HB3 H 1 3.874 0.005 . 2 . . . . . 5 SER HB3 . 15665 1 32 . 1 1 6 6 PHE H H 1 8.140 0.001 . 1 . . . . . 6 PHE H . 15665 1 33 . 1 1 6 6 PHE HA H 1 4.481 0.001 . 1 . . . . . 6 PHE HA . 15665 1 34 . 1 1 6 6 PHE HB2 H 1 3.195 0.002 . 2 . . . . . 6 PHE QB . 15665 1 35 . 1 1 6 6 PHE HB3 H 1 3.195 0.002 . 2 . . . . . 6 PHE QB . 15665 1 36 . 1 1 6 6 PHE HD1 H 1 7.230 0.001 . 3 . . . . . 6 PHE QD . 15665 1 37 . 1 1 6 6 PHE HD2 H 1 7.230 0.001 . 3 . . . . . 6 PHE QD . 15665 1 38 . 1 1 6 6 PHE HE1 H 1 7.290 0.000 . 3 . . . . . 6 PHE QE . 15665 1 39 . 1 1 6 6 PHE HE2 H 1 7.290 0.000 . 3 . . . . . 6 PHE QE . 15665 1 40 . 1 1 7 7 LYS H H 1 8.083 0.001 . 1 . . . . . 7 LYS H . 15665 1 41 . 1 1 7 7 LYS HA H 1 4.067 0.001 . 1 . . . . . 7 LYS HA . 15665 1 42 . 1 1 7 7 LYS HB2 H 1 1.869 0.003 . 2 . . . . . 7 LYS QB . 15665 1 43 . 1 1 7 7 LYS HB3 H 1 1.869 0.003 . 2 . . . . . 7 LYS QB . 15665 1 44 . 1 1 7 7 LYS HD2 H 1 1.711 0.001 . 2 . . . . . 7 LYS QD . 15665 1 45 . 1 1 7 7 LYS HD3 H 1 1.711 0.001 . 2 . . . . . 7 LYS QD . 15665 1 46 . 1 1 7 7 LYS HG2 H 1 1.573 0.002 . 2 . . . . . 7 LYS HG2 . 15665 1 47 . 1 1 7 7 LYS HG3 H 1 1.448 0.002 . 2 . . . . . 7 LYS HG3 . 15665 1 48 . 1 1 8 8 GLY H H 1 7.815 0.001 . 1 . . . . . 8 GLY H . 15665 1 49 . 1 1 8 8 GLY HA2 H 1 3.880 0.002 . 2 . . . . . 8 GLY QA . 15665 1 50 . 1 1 8 8 GLY HA3 H 1 3.880 0.002 . 2 . . . . . 8 GLY QA . 15665 1 51 . 1 1 9 9 VAL H H 1 7.698 0.000 . 1 . . . . . 9 VAL H . 15665 1 52 . 1 1 9 9 VAL HA H 1 3.897 0.001 . 1 . . . . . 9 VAL HA . 15665 1 53 . 1 1 9 9 VAL HB H 1 2.151 0.003 . 1 . . . . . 9 VAL HB . 15665 1 54 . 1 1 9 9 VAL HG11 H 1 1.031 0.001 . 3 . . . . . 9 VAL QG1 . 15665 1 55 . 1 1 9 9 VAL HG12 H 1 1.031 0.001 . 3 . . . . . 9 VAL QG1 . 15665 1 56 . 1 1 9 9 VAL HG13 H 1 1.031 0.001 . 3 . . . . . 9 VAL QG1 . 15665 1 57 . 1 1 9 9 VAL HG21 H 1 0.945 0.002 . 3 . . . . . 9 VAL QG2 . 15665 1 58 . 1 1 9 9 VAL HG22 H 1 0.945 0.002 . 3 . . . . . 9 VAL QG2 . 15665 1 59 . 1 1 9 9 VAL HG23 H 1 0.945 0.002 . 3 . . . . . 9 VAL QG2 . 15665 1 60 . 1 1 10 10 ALA H H 1 8.061 0.001 . 1 . . . . . 10 ALA H . 15665 1 61 . 1 1 10 10 ALA HA H 1 4.050 0.002 . 1 . . . . . 10 ALA HA . 15665 1 62 . 1 1 10 10 ALA HB1 H 1 1.386 0.001 . 2 . . . . . 10 ALA QB . 15665 1 63 . 1 1 10 10 ALA HB2 H 1 1.386 0.001 . 2 . . . . . 10 ALA QB . 15665 1 64 . 1 1 10 10 ALA HB3 H 1 1.386 0.001 . 2 . . . . . 10 ALA QB . 15665 1 65 . 1 1 11 11 LYS H H 1 7.957 0.001 . 1 . . . . . 11 LYS H . 15665 1 66 . 1 1 11 11 LYS HA H 1 4.085 0.000 . 1 . . . . . 11 LYS HA . 15665 1 67 . 1 1 11 11 LYS HB2 H 1 1.895 0.001 . 2 . . . . . 11 LYS QB . 15665 1 68 . 1 1 11 11 LYS HB3 H 1 1.895 0.001 . 2 . . . . . 11 LYS QB . 15665 1 69 . 1 1 11 11 LYS HD2 H 1 1.605 0.001 . 2 . . . . . 11 LYS QD . 15665 1 70 . 1 1 11 11 LYS HD3 H 1 1.605 0.001 . 2 . . . . . 11 LYS QD . 15665 1 71 . 1 1 11 11 LYS HG2 H 1 1.503 0.000 . 2 . . . . . 11 LYS HG2 . 15665 1 72 . 1 1 11 11 LYS HG3 H 1 1.477 0.000 . 2 . . . . . 11 LYS HG3 . 15665 1 73 . 1 1 12 12 GLY H H 1 7.981 0.001 . 1 . . . . . 12 GLY H . 15665 1 74 . 1 1 12 12 GLY HA2 H 1 3.901 0.001 . 2 . . . . . 12 GLY QA . 15665 1 75 . 1 1 12 12 GLY HA3 H 1 3.901 0.001 . 2 . . . . . 12 GLY QA . 15665 1 76 . 1 1 13 13 VAL H H 1 8.079 0.001 . 1 . . . . . 13 VAL H . 15665 1 77 . 1 1 13 13 VAL HA H 1 3.803 0.001 . 1 . . . . . 13 VAL HA . 15665 1 78 . 1 1 13 13 VAL HB H 1 2.173 0.001 . 1 . . . . . 13 VAL HB . 15665 1 79 . 1 1 13 13 VAL HG11 H 1 1.041 0.001 . 2 . . . . . 13 VAL QG1 . 15665 1 80 . 1 1 13 13 VAL HG12 H 1 1.041 0.001 . 2 . . . . . 13 VAL QG1 . 15665 1 81 . 1 1 13 13 VAL HG13 H 1 1.041 0.001 . 2 . . . . . 13 VAL QG1 . 15665 1 82 . 1 1 13 13 VAL HG21 H 1 0.964 0.002 . 2 . . . . . 13 VAL QG2 . 15665 1 83 . 1 1 13 13 VAL HG22 H 1 0.964 0.002 . 2 . . . . . 13 VAL QG2 . 15665 1 84 . 1 1 13 13 VAL HG23 H 1 0.964 0.002 . 2 . . . . . 13 VAL QG2 . 15665 1 85 . 1 1 14 14 ALA H H 1 8.088 0.001 . 1 . . . . . 14 ALA H . 15665 1 86 . 1 1 14 14 ALA HA H 1 4.073 0.003 . 1 . . . . . 14 ALA HA . 15665 1 87 . 1 1 14 14 ALA HB1 H 1 1.505 0.001 . 2 . . . . . 14 ALA QB . 15665 1 88 . 1 1 14 14 ALA HB2 H 1 1.505 0.001 . 2 . . . . . 14 ALA QB . 15665 1 89 . 1 1 14 14 ALA HB3 H 1 1.505 0.001 . 2 . . . . . 14 ALA QB . 15665 1 90 . 1 1 15 15 LYS H H 1 7.904 0.001 . 1 . . . . . 15 LYS H . 15665 1 91 . 1 1 15 15 LYS HA H 1 4.053 0.001 . 1 . . . . . 15 LYS HA . 15665 1 92 . 1 1 15 15 LYS HB2 H 1 1.961 0.001 . 2 . . . . . 15 LYS QB . 15665 1 93 . 1 1 15 15 LYS HB3 H 1 1.961 0.001 . 2 . . . . . 15 LYS QB . 15665 1 94 . 1 1 15 15 LYS HD2 H 1 1.728 0.000 . 2 . . . . . 15 LYS QD . 15665 1 95 . 1 1 15 15 LYS HD3 H 1 1.728 0.000 . 2 . . . . . 15 LYS QD . 15665 1 96 . 1 1 15 15 LYS HG2 H 1 1.608 0.002 . 2 . . . . . 15 LYS QG . 15665 1 97 . 1 1 15 15 LYS HG3 H 1 1.608 0.002 . 2 . . . . . 15 LYS QG . 15665 1 98 . 1 1 16 16 ASP H H 1 8.011 0.002 . 1 . . . . . 16 ASP H . 15665 1 99 . 1 1 16 16 ASP HA H 1 4.522 0.001 . 1 . . . . . 16 ASP HA . 15665 1 100 . 1 1 16 16 ASP HB2 H 1 3.101 0.002 . 2 . . . . . 16 ASP HB2 . 15665 1 101 . 1 1 16 16 ASP HB3 H 1 2.920 0.003 . 2 . . . . . 16 ASP HB3 . 15665 1 102 . 1 1 17 17 LEU H H 1 8.511 0.001 . 1 . . . . . 17 LEU H . 15665 1 103 . 1 1 17 17 LEU HA H 1 4.119 0.002 . 1 . . . . . 17 LEU HA . 15665 1 104 . 1 1 17 17 LEU HB2 H 1 1.815 0.001 . 2 . . . . . 17 LEU HB2 . 15665 1 105 . 1 1 17 17 LEU HB3 H 1 1.663 0.003 . 2 . . . . . 17 LEU HB3 . 15665 1 106 . 1 1 17 17 LEU HD11 H 1 0.966 0.000 . 3 . . . . . 17 LEU QD1 . 15665 1 107 . 1 1 17 17 LEU HD12 H 1 0.966 0.000 . 3 . . . . . 17 LEU QD1 . 15665 1 108 . 1 1 17 17 LEU HD13 H 1 0.966 0.000 . 3 . . . . . 17 LEU QD1 . 15665 1 109 . 1 1 17 17 LEU HD21 H 1 0.875 0.001 . 3 . . . . . 17 LEU QD2 . 15665 1 110 . 1 1 17 17 LEU HD22 H 1 0.875 0.001 . 3 . . . . . 17 LEU QD2 . 15665 1 111 . 1 1 17 17 LEU HD23 H 1 0.875 0.001 . 3 . . . . . 17 LEU QD2 . 15665 1 112 . 1 1 18 18 ALA H H 1 8.359 0.000 . 1 . . . . . 18 ALA H . 15665 1 113 . 1 1 18 18 ALA HA H 1 4.065 0.002 . 1 . . . . . 18 ALA HA . 15665 1 114 . 1 1 18 18 ALA HB1 H 1 1.509 0.002 . 2 . . . . . 18 ALA QB . 15665 1 115 . 1 1 18 18 ALA HB2 H 1 1.509 0.002 . 2 . . . . . 18 ALA QB . 15665 1 116 . 1 1 18 18 ALA HB3 H 1 1.509 0.002 . 2 . . . . . 18 ALA QB . 15665 1 117 . 1 1 19 19 GLY H H 1 8.032 0.001 . 1 . . . . . 19 GLY H . 15665 1 118 . 1 1 19 19 GLY HA2 H 1 3.937 0.003 . 2 . . . . . 19 GLY HA2 . 15665 1 119 . 1 1 19 19 GLY HA3 H 1 3.851 0.004 . 2 . . . . . 19 GLY HA3 . 15665 1 120 . 1 1 20 20 LYS H H 1 7.850 0.001 . 1 . . . . . 20 LYS H . 15665 1 121 . 1 1 20 20 LYS HA H 1 4.179 0.002 . 1 . . . . . 20 LYS HA . 15665 1 122 . 1 1 20 20 LYS HB2 H 1 2.034 0.000 . 2 . . . . . 20 LYS HB2 . 15665 1 123 . 1 1 20 20 LYS HB3 H 1 2.001 0.002 . 2 . . . . . 20 LYS HB3 . 15665 1 124 . 1 1 20 20 LYS HD2 H 1 1.833 0.000 . 2 . . . . . 20 LYS HD2 . 15665 1 125 . 1 1 20 20 LYS HD3 H 1 1.695 0.000 . 2 . . . . . 20 LYS HD3 . 15665 1 126 . 1 1 20 20 LYS HG2 H 1 1.581 0.004 . 2 . . . . . 20 LYS HG2 . 15665 1 127 . 1 1 20 20 LYS HG3 H 1 1.501 0.004 . 2 . . . . . 20 LYS HG3 . 15665 1 128 . 1 1 21 21 LEU H H 1 8.516 0.002 . 1 . . . . . 21 LEU H . 15665 1 129 . 1 1 21 21 LEU HA H 1 4.090 0.002 . 1 . . . . . 21 LEU HA . 15665 1 130 . 1 1 21 21 LEU HB2 H 1 1.799 0.003 . 2 . . . . . 21 LEU HB2 . 15665 1 131 . 1 1 21 21 LEU HB3 H 1 1.714 0.000 . 2 . . . . . 21 LEU HB3 . 15665 1 132 . 1 1 21 21 LEU HD11 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 133 . 1 1 21 21 LEU HD12 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 134 . 1 1 21 21 LEU HD13 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 135 . 1 1 21 21 LEU HD21 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 136 . 1 1 21 21 LEU HD22 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 137 . 1 1 21 21 LEU HD23 H 1 0.901 0.001 . . . . . . . 21 LEU QQD . 15665 1 138 . 1 1 21 21 LEU HG H 1 1.509 0.001 . 1 . . . . . 21 LEU HG . 15665 1 139 . 1 1 22 22 LEU H H 1 8.455 0.001 . 1 . . . . . 22 LEU H . 15665 1 140 . 1 1 22 22 LEU HA H 1 4.106 0.001 . 1 . . . . . 22 LEU HA . 15665 1 141 . 1 1 22 22 LEU HB2 H 1 1.909 0.004 . 2 . . . . . 22 LEU HB2 . 15665 1 142 . 1 1 22 22 LEU HB3 H 1 1.843 0.002 . 2 . . . . . 22 LEU HB3 . 15665 1 143 . 1 1 22 22 LEU HD11 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 144 . 1 1 22 22 LEU HD12 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 145 . 1 1 22 22 LEU HD13 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 146 . 1 1 22 22 LEU HD21 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 147 . 1 1 22 22 LEU HD22 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 148 . 1 1 22 22 LEU HD23 H 1 0.913 0.003 . . . . . . . 22 LEU QQD . 15665 1 149 . 1 1 22 22 LEU HG H 1 1.623 0.000 . 1 . . . . . 22 LEU HG . 15665 1 150 . 1 1 23 23 GLU H H 1 8.153 0.001 . 1 . . . . . 23 GLU H . 15665 1 151 . 1 1 23 23 GLU HA H 1 4.107 0.004 . 1 . . . . . 23 GLU HA . 15665 1 152 . 1 1 23 23 GLU HB2 H 1 2.266 0.002 . 2 . . . . . 23 GLU HB2 . 15665 1 153 . 1 1 23 23 GLU HB3 H 1 2.178 0.002 . 2 . . . . . 23 GLU HB3 . 15665 1 154 . 1 1 23 23 GLU HG2 H 1 2.622 0.003 . 2 . . . . . 23 GLU HG2 . 15665 1 155 . 1 1 23 23 GLU HG3 H 1 2.565 0.004 . 2 . . . . . 23 GLU HG3 . 15665 1 156 . 1 1 24 24 THR H H 1 8.029 0.001 . 1 . . . . . 24 THR H . 15665 1 157 . 1 1 24 24 THR HA H 1 4.502 0.001 . 1 . . . . . 24 THR HA . 15665 1 158 . 1 1 24 24 THR HG21 H 1 1.249 0.001 . . . . . . . 24 THR QG2 . 15665 1 159 . 1 1 24 24 THR HG22 H 1 1.249 0.001 . . . . . . . 24 THR QG2 . 15665 1 160 . 1 1 24 24 THR HG23 H 1 1.249 0.001 . . . . . . . 24 THR QG2 . 15665 1 161 . 1 1 25 25 LEU H H 1 8.342 0.001 . 1 . . . . . 25 LEU H . 15665 1 162 . 1 1 25 25 LEU HA H 1 4.059 0.002 . 1 . . . . . 25 LEU HA . 15665 1 163 . 1 1 25 25 LEU HB2 H 1 1.846 0.002 . 2 . . . . . 25 LEU HB2 . 15665 1 164 . 1 1 25 25 LEU HB3 H 1 1.780 0.003 . 2 . . . . . 25 LEU HB3 . 15665 1 165 . 1 1 25 25 LEU HD11 H 1 0.901 0.001 . . . . . . . 25 LEU QD1 . 15665 1 166 . 1 1 25 25 LEU HD12 H 1 0.901 0.001 . . . . . . . 25 LEU QD1 . 15665 1 167 . 1 1 25 25 LEU HD13 H 1 0.901 0.001 . . . . . . . 25 LEU QD1 . 15665 1 168 . 1 1 25 25 LEU HD21 H 1 0.863 0.002 . . . . . . . 25 LEU QD2 . 15665 1 169 . 1 1 25 25 LEU HD22 H 1 0.863 0.002 . . . . . . . 25 LEU QD2 . 15665 1 170 . 1 1 25 25 LEU HD23 H 1 0.863 0.002 . . . . . . . 25 LEU QD2 . 15665 1 171 . 1 1 25 25 LEU HG H 1 1.693 0.000 . 1 . . . . . 25 LEU HG . 15665 1 172 . 1 1 26 26 LYS H H 1 8.401 0.001 . 1 . . . . . 26 LYS H . 15665 1 173 . 1 1 26 26 LYS HA H 1 3.955 0.001 . 1 . . . . . 26 LYS HA . 15665 1 174 . 1 1 26 26 LYS HB2 H 1 2.001 0.001 . 2 . . . . . 26 LYS QB . 15665 1 175 . 1 1 26 26 LYS HB3 H 1 2.001 0.001 . 2 . . . . . 26 LYS QB . 15665 1 176 . 1 1 26 26 LYS HD2 H 1 1.546 0.002 . 2 . . . . . 26 LYS QD . 15665 1 177 . 1 1 26 26 LYS HD3 H 1 1.546 0.002 . 2 . . . . . 26 LYS QD . 15665 1 178 . 1 1 26 26 LYS HG2 H 1 1.387 0.001 . 2 . . . . . 26 LYS QG . 15665 1 179 . 1 1 26 26 LYS HG3 H 1 1.387 0.001 . 2 . . . . . 26 LYS QG . 15665 1 180 . 1 1 27 27 CYS H H 1 8.359 0.000 . 1 . . . . . 27 CYS H . 15665 1 181 . 1 1 27 27 CYS HA H 1 4.572 0.001 . 1 . . . . . 27 CYS HA . 15665 1 182 . 1 1 27 27 CYS HB2 H 1 3.194 0.002 . 2 . . . . . 27 CYS HB2 . 15665 1 183 . 1 1 27 27 CYS HB3 H 1 3.142 0.002 . 2 . . . . . 27 CYS HB3 . 15665 1 184 . 1 1 28 28 LYS H H 1 8.318 0.001 . 1 . . . . . 28 LYS H . 15665 1 185 . 1 1 28 28 LYS HA H 1 4.182 0.002 . 1 . . . . . 28 LYS HA . 15665 1 186 . 1 1 28 28 LYS HB2 H 1 2.099 0.001 . 2 . . . . . 28 LYS HB2 . 15665 1 187 . 1 1 28 28 LYS HB3 H 1 2.051 0.002 . 2 . . . . . 28 LYS HB3 . 15665 1 188 . 1 1 28 28 LYS HD2 H 1 1.768 0.000 . 2 . . . . . 28 LYS HD2 . 15665 1 189 . 1 1 28 28 LYS HD3 H 1 1.686 0.000 . 2 . . . . . 28 LYS HD3 . 15665 1 190 . 1 1 28 28 LYS HG2 H 1 1.568 0.009 . 2 . . . . . 28 LYS QG . 15665 1 191 . 1 1 28 28 LYS HG3 H 1 1.568 0.009 . 2 . . . . . 28 LYS QG . 15665 1 192 . 1 1 29 29 ILE H H 1 8.134 0.002 . 1 . . . . . 29 ILE H . 15665 1 193 . 1 1 29 29 ILE HA H 1 4.013 0.003 . 1 . . . . . 29 ILE HA . 15665 1 194 . 1 1 29 29 ILE HB H 1 1.962 0.000 . 1 . . . . . 29 ILE HB . 15665 1 195 . 1 1 29 29 ILE HD11 H 1 0.849 0.001 . . . . . . . 29 ILE QD1 . 15665 1 196 . 1 1 29 29 ILE HD12 H 1 0.849 0.001 . . . . . . . 29 ILE QD1 . 15665 1 197 . 1 1 29 29 ILE HD13 H 1 0.849 0.001 . . . . . . . 29 ILE QD1 . 15665 1 198 . 1 1 29 29 ILE HG12 H 1 1.761 0.001 . 2 . . . . . 29 ILE HG12 . 15665 1 199 . 1 1 29 29 ILE HG13 H 1 1.209 0.001 . 2 . . . . . 29 ILE HG13 . 15665 1 200 . 1 1 29 29 ILE HG21 H 1 0.956 0.001 . . . . . . . 29 ILE QG2 . 15665 1 201 . 1 1 29 29 ILE HG22 H 1 0.956 0.001 . . . . . . . 29 ILE QG2 . 15665 1 202 . 1 1 29 29 ILE HG23 H 1 0.956 0.001 . . . . . . . 29 ILE QG2 . 15665 1 203 . 1 1 30 30 THR H H 1 8.180 0.002 . 1 . . . . . 30 THR H . 15665 1 204 . 1 1 30 30 THR HA H 1 4.518 0.001 . 1 . . . . . 30 THR HA . 15665 1 205 . 1 1 30 30 THR HB H 1 4.451 0.003 . 1 . . . . . 30 THR HB . 15665 1 206 . 1 1 30 30 THR HG21 H 1 1.306 0.001 . . . . . . . 30 THR QG2 . 15665 1 207 . 1 1 30 30 THR HG22 H 1 1.306 0.001 . . . . . . . 30 THR QG2 . 15665 1 208 . 1 1 30 30 THR HG23 H 1 1.306 0.001 . . . . . . . 30 THR QG2 . 15665 1 209 . 1 1 31 31 GLY H H 1 7.992 0.001 . 1 . . . . . 31 GLY H . 15665 1 210 . 1 1 31 31 GLY HA2 H 1 4.389 0.001 . 2 . . . . . 31 GLY HA2 . 15665 1 211 . 1 1 31 31 GLY HA3 H 1 3.964 0.001 . 2 . . . . . 31 GLY HA3 . 15665 1 212 . 1 1 32 32 CYS H H 1 8.273 0.002 . 1 . . . . . 32 CYS H . 15665 1 213 . 1 1 32 32 CYS HA H 1 4.459 0.000 . 1 . . . . . 32 CYS HA . 15665 1 214 . 1 1 32 32 CYS HB2 H 1 3.367 0.002 . 2 . . . . . 32 CYS HB2 . 15665 1 215 . 1 1 32 32 CYS HB3 H 1 3.243 0.000 . 2 . . . . . 32 CYS HB3 . 15665 1 stop_ save_