################################### # 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 34132 _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 $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 COSY' . . . 34132 1 2 '2D 1H-1H TOCSY' . . . 34132 1 3 '2D 1H-1H NOESY' . . . 34132 1 4 '2D 1H-13C HSQC aliphatic' . . . 34132 1 5 '2D 1H-15N HSQC' . . . 34132 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 3.861 0.000 . 2 . . . . A 1 GLY HA2 . 34132 1 2 . 1 1 1 1 GLY HA3 H 1 3.945 0.000 . 2 . . . . A 1 GLY HA3 . 34132 1 3 . 1 1 1 1 GLY CA C 13 43.558 0.001 . 1 . . . . A 1 GLY CA . 34132 1 4 . 1 1 2 2 ILE H H 1 8.217 0.003 . 1 . . . . A 2 ILE H . 34132 1 5 . 1 1 2 2 ILE HA H 1 4.185 0.003 . 1 . . . . A 2 ILE HA . 34132 1 6 . 1 1 2 2 ILE HB H 1 1.927 0.004 . 1 . . . . A 2 ILE HB . 34132 1 7 . 1 1 2 2 ILE HG12 H 1 1.279 0.011 . 2 . . . . A 2 ILE HG12 . 34132 1 8 . 1 1 2 2 ILE HG13 H 1 1.514 0.000 . 2 . . . . A 2 ILE HG13 . 34132 1 9 . 1 1 2 2 ILE HG21 H 1 0.977 0.003 . 1 . . . . A 2 ILE HG21 . 34132 1 10 . 1 1 2 2 ILE HG22 H 1 0.977 0.003 . 1 . . . . A 2 ILE HG22 . 34132 1 11 . 1 1 2 2 ILE HG23 H 1 0.977 0.003 . 1 . . . . A 2 ILE HG23 . 34132 1 12 . 1 1 2 2 ILE HD11 H 1 0.925 0.002 . 1 . . . . A 2 ILE HD11 . 34132 1 13 . 1 1 2 2 ILE HD12 H 1 0.925 0.002 . 1 . . . . A 2 ILE HD12 . 34132 1 14 . 1 1 2 2 ILE HD13 H 1 0.925 0.002 . 1 . . . . A 2 ILE HD13 . 34132 1 15 . 1 1 2 2 ILE CA C 13 62.833 0.000 . 1 . . . . A 2 ILE CA . 34132 1 16 . 1 1 2 2 ILE CB C 13 39.048 0.000 . 1 . . . . A 2 ILE CB . 34132 1 17 . 1 1 2 2 ILE CG1 C 13 27.796 0.009 . 1 . . . . A 2 ILE CG1 . 34132 1 18 . 1 1 2 2 ILE CG2 C 13 17.018 0.000 . 1 . . . . A 2 ILE CG2 . 34132 1 19 . 1 1 2 2 ILE CD1 C 13 12.691 0.000 . 1 . . . . A 2 ILE CD1 . 34132 1 20 . 1 1 3 3 GLY H H 1 8.282 0.002 . 1 . . . . A 3 GLY H . 34132 1 21 . 1 1 3 3 GLY HA2 H 1 3.834 0.003 . 2 . . . . A 3 GLY HA2 . 34132 1 22 . 1 1 3 3 GLY HA3 H 1 3.913 0.001 . 2 . . . . A 3 GLY HA3 . 34132 1 23 . 1 1 3 3 GLY CA C 13 46.710 0.018 . 1 . . . . A 3 GLY CA . 34132 1 24 . 1 1 3 3 GLY N N 15 109.479 0.000 . 1 . . . . A 3 GLY N . 34132 1 25 . 1 1 4 4 ALA H H 1 7.702 0.003 . 1 . . . . A 4 ALA H . 34132 1 26 . 1 1 4 4 ALA HA H 1 4.183 0.002 . 1 . . . . A 4 ALA HA . 34132 1 27 . 1 1 4 4 ALA HB1 H 1 1.470 0.002 . 1 . . . . A 4 ALA HB1 . 34132 1 28 . 1 1 4 4 ALA HB2 H 1 1.470 0.002 . 1 . . . . A 4 ALA HB2 . 34132 1 29 . 1 1 4 4 ALA HB3 H 1 1.470 0.002 . 1 . . . . A 4 ALA HB3 . 34132 1 30 . 1 1 4 4 ALA CA C 13 54.608 0.000 . 1 . . . . A 4 ALA CA . 34132 1 31 . 1 1 4 4 ALA CB C 13 18.006 0.000 . 1 . . . . A 4 ALA CB . 34132 1 32 . 1 1 4 4 ALA N N 15 121.319 0.000 . 1 . . . . A 4 ALA N . 34132 1 33 . 1 1 5 5 LEU H H 1 7.567 0.002 . 1 . . . . A 5 LEU H . 34132 1 34 . 1 1 5 5 LEU HA H 1 4.175 0.003 . 1 . . . . A 5 LEU HA . 34132 1 35 . 1 1 5 5 LEU HB2 H 1 1.648 0.003 . 2 . . . . A 5 LEU HB2 . 34132 1 36 . 1 1 5 5 LEU HB3 H 1 1.770 0.002 . 2 . . . . A 5 LEU HB3 . 34132 1 37 . 1 1 5 5 LEU HG H 1 1.654 0.008 . 1 . . . . A 5 LEU HG . 34132 1 38 . 1 1 5 5 LEU HD11 H 1 0.879 0.003 . 2 . . . . A 5 LEU HD11 . 34132 1 39 . 1 1 5 5 LEU HD12 H 1 0.879 0.003 . 2 . . . . A 5 LEU HD12 . 34132 1 40 . 1 1 5 5 LEU HD13 H 1 0.879 0.003 . 2 . . . . A 5 LEU HD13 . 34132 1 41 . 1 1 5 5 LEU HD21 H 1 0.954 0.005 . 2 . . . . A 5 LEU HD21 . 34132 1 42 . 1 1 5 5 LEU HD22 H 1 0.954 0.005 . 2 . . . . A 5 LEU HD22 . 34132 1 43 . 1 1 5 5 LEU HD23 H 1 0.954 0.005 . 2 . . . . A 5 LEU HD23 . 34132 1 44 . 1 1 5 5 LEU CA C 13 57.708 0.000 . 1 . . . . A 5 LEU CA . 34132 1 45 . 1 1 5 5 LEU CB C 13 41.876 0.000 . 1 . . . . A 5 LEU CB . 34132 1 46 . 1 1 5 5 LEU CG C 13 27.444 0.000 . 1 . . . . A 5 LEU CG . 34132 1 47 . 1 1 5 5 LEU CD1 C 13 22.930 0.000 . 1 . . . . A 5 LEU CD1 . 34132 1 48 . 1 1 5 5 LEU CD2 C 13 24.392 0.000 . 1 . . . . A 5 LEU CD2 . 34132 1 49 . 1 1 5 5 LEU N N 15 118.115 0.000 . 1 . . . . A 5 LEU N . 34132 1 50 . 1 1 6 6 PHE H H 1 7.756 0.003 . 1 . . . . A 6 PHE H . 34132 1 51 . 1 1 6 6 PHE HA H 1 4.433 0.005 . 1 . . . . A 6 PHE HA . 34132 1 52 . 1 1 6 6 PHE HB2 H 1 3.196 0.005 . 2 . . . . A 6 PHE HB2 . 34132 1 53 . 1 1 6 6 PHE HB3 H 1 3.196 0.005 . 2 . . . . A 6 PHE HB3 . 34132 1 54 . 1 1 6 6 PHE HD1 H 1 7.169 0.001 . 1 . . . . A 6 PHE HD1 . 34132 1 55 . 1 1 6 6 PHE HD2 H 1 7.169 0.001 . 1 . . . . A 6 PHE HD2 . 34132 1 56 . 1 1 6 6 PHE HE1 H 1 7.256 0.001 . 1 . . . . A 6 PHE HE1 . 34132 1 57 . 1 1 6 6 PHE HE2 H 1 7.256 0.001 . 1 . . . . A 6 PHE HE2 . 34132 1 58 . 1 1 6 6 PHE CA C 13 60.613 0.000 . 1 . . . . A 6 PHE CA . 34132 1 59 . 1 1 6 6 PHE CB C 13 39.100 0.000 . 1 . . . . A 6 PHE CB . 34132 1 60 . 1 1 6 6 PHE N N 15 118.536 0.000 . 1 . . . . A 6 PHE N . 34132 1 61 . 1 1 7 7 LEU H H 1 7.985 0.003 . 1 . . . . A 7 LEU H . 34132 1 62 . 1 1 7 7 LEU HA H 1 4.100 0.004 . 1 . . . . A 7 LEU HA . 34132 1 63 . 1 1 7 7 LEU HB2 H 1 1.562 0.002 . 2 . . . . A 7 LEU HB2 . 34132 1 64 . 1 1 7 7 LEU HB3 H 1 1.844 0.000 . 2 . . . . A 7 LEU HB3 . 34132 1 65 . 1 1 7 7 LEU HG H 1 1.800 0.002 . 1 . . . . A 7 LEU HG . 34132 1 66 . 1 1 7 7 LEU HD11 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD11 . 34132 1 67 . 1 1 7 7 LEU HD12 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD12 . 34132 1 68 . 1 1 7 7 LEU HD13 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD13 . 34132 1 69 . 1 1 7 7 LEU HD21 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD21 . 34132 1 70 . 1 1 7 7 LEU HD22 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD22 . 34132 1 71 . 1 1 7 7 LEU HD23 H 1 0.925 0.003 . 2 . . . . A 7 LEU HD23 . 34132 1 72 . 1 1 7 7 LEU CA C 13 58.032 0.000 . 1 . . . . A 7 LEU CA . 34132 1 73 . 1 1 7 7 LEU CB C 13 41.575 0.004 . 1 . . . . A 7 LEU CB . 34132 1 74 . 1 1 7 7 LEU CG C 13 27.145 0.000 . 1 . . . . A 7 LEU CG . 34132 1 75 . 1 1 7 7 LEU CD1 C 13 22.355 0.000 . 1 . . . . A 7 LEU CD1 . 34132 1 76 . 1 1 7 7 LEU N N 15 118.624 0.000 . 1 . . . . A 7 LEU N . 34132 1 77 . 1 1 8 8 GLY H H 1 7.915 0.003 . 1 . . . . A 8 GLY H . 34132 1 78 . 1 1 8 8 GLY HA2 H 1 3.818 0.001 . 2 . . . . A 8 GLY HA2 . 34132 1 79 . 1 1 8 8 GLY HA3 H 1 3.818 0.001 . 2 . . . . A 8 GLY HA3 . 34132 1 80 . 1 1 8 8 GLY CA C 13 46.719 0.000 . 1 . . . . A 8 GLY CA . 34132 1 81 . 1 1 8 8 GLY N N 15 106.362 0.000 . 1 . . . . A 8 GLY N . 34132 1 82 . 1 1 9 9 PHE H H 1 7.970 0.002 . 1 . . . . A 9 PHE H . 34132 1 83 . 1 1 9 9 PHE HA H 1 4.365 0.003 . 1 . . . . A 9 PHE HA . 34132 1 84 . 1 1 9 9 PHE HB2 H 1 3.210 0.006 . 2 . . . . A 9 PHE HB2 . 34132 1 85 . 1 1 9 9 PHE HB3 H 1 3.210 0.006 . 2 . . . . A 9 PHE HB3 . 34132 1 86 . 1 1 9 9 PHE HD1 H 1 7.142 0.002 . 1 . . . . A 9 PHE HD1 . 34132 1 87 . 1 1 9 9 PHE HD2 H 1 7.142 0.002 . 1 . . . . A 9 PHE HD2 . 34132 1 88 . 1 1 9 9 PHE CA C 13 60.841 0.000 . 1 . . . . A 9 PHE CA . 34132 1 89 . 1 1 9 9 PHE CB C 13 38.859 0.000 . 1 . . . . A 9 PHE CB . 34132 1 90 . 1 1 9 9 PHE N N 15 122.687 0.000 . 1 . . . . A 9 PHE N . 34132 1 91 . 1 1 10 10 LEU H H 1 8.231 0.002 . 1 . . . . A 10 LEU H . 34132 1 92 . 1 1 10 10 LEU HA H 1 3.937 0.002 . 1 . . . . A 10 LEU HA . 34132 1 93 . 1 1 10 10 LEU HB2 H 1 1.490 0.007 . 2 . . . . A 10 LEU HB2 . 34132 1 94 . 1 1 10 10 LEU HB3 H 1 1.767 0.005 . 2 . . . . A 10 LEU HB3 . 34132 1 95 . 1 1 10 10 LEU HG H 1 1.626 0.002 . 1 . . . . A 10 LEU HG . 34132 1 96 . 1 1 10 10 LEU HD11 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD11 . 34132 1 97 . 1 1 10 10 LEU HD12 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD12 . 34132 1 98 . 1 1 10 10 LEU HD13 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD13 . 34132 1 99 . 1 1 10 10 LEU HD21 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD21 . 34132 1 100 . 1 1 10 10 LEU HD22 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD22 . 34132 1 101 . 1 1 10 10 LEU HD23 H 1 0.843 0.004 . 2 . . . . A 10 LEU HD23 . 34132 1 102 . 1 1 10 10 LEU CA C 13 58.048 0.000 . 1 . . . . A 10 LEU CA . 34132 1 103 . 1 1 10 10 LEU CB C 13 41.862 0.000 . 1 . . . . A 10 LEU CB . 34132 1 104 . 1 1 10 10 LEU CG C 13 26.735 0.000 . 1 . . . . A 10 LEU CG . 34132 1 105 . 1 1 10 10 LEU CD1 C 13 22.419 0.000 . 1 . . . . A 10 LEU CD1 . 34132 1 106 . 1 1 10 10 LEU CD2 C 13 24.346 0.000 . 1 . . . . A 10 LEU CD2 . 34132 1 107 . 1 1 10 10 LEU N N 15 120.323 0.000 . 1 . . . . A 10 LEU N . 34132 1 108 . 1 1 11 11 GLY H H 1 8.203 0.002 . 1 . . . . A 11 GLY H . 34132 1 109 . 1 1 11 11 GLY HA2 H 1 3.817 0.001 . 2 . . . . A 11 GLY HA2 . 34132 1 110 . 1 1 11 11 GLY HA3 H 1 3.817 0.001 . 2 . . . . A 11 GLY HA3 . 34132 1 111 . 1 1 11 11 GLY CA C 13 46.835 0.000 . 1 . . . . A 11 GLY CA . 34132 1 112 . 1 1 11 11 GLY N N 15 105.725 0.000 . 1 . . . . A 11 GLY N . 34132 1 113 . 1 1 12 12 ALA H H 1 7.876 0.004 . 1 . . . . A 12 ALA H . 34132 1 114 . 1 1 12 12 ALA HA H 1 4.176 0.005 . 1 . . . . A 12 ALA HA . 34132 1 115 . 1 1 12 12 ALA HB1 H 1 1.475 0.003 . 1 . . . . A 12 ALA HB1 . 34132 1 116 . 1 1 12 12 ALA HB2 H 1 1.475 0.003 . 1 . . . . A 12 ALA HB2 . 34132 1 117 . 1 1 12 12 ALA HB3 H 1 1.475 0.003 . 1 . . . . A 12 ALA HB3 . 34132 1 118 . 1 1 12 12 ALA CA C 13 54.759 0.000 . 1 . . . . A 12 ALA CA . 34132 1 119 . 1 1 12 12 ALA CB C 13 18.118 0.000 . 1 . . . . A 12 ALA CB . 34132 1 120 . 1 1 12 12 ALA N N 15 124.765 0.000 . 1 . . . . A 12 ALA N . 34132 1 121 . 1 1 13 13 ALA H H 1 8.311 0.003 . 1 . . . . A 13 ALA H . 34132 1 122 . 1 1 13 13 ALA HA H 1 4.066 0.002 . 1 . . . . A 13 ALA HA . 34132 1 123 . 1 1 13 13 ALA HB1 H 1 1.291 0.002 . 1 . . . . A 13 ALA HB1 . 34132 1 124 . 1 1 13 13 ALA HB2 H 1 1.291 0.002 . 1 . . . . A 13 ALA HB2 . 34132 1 125 . 1 1 13 13 ALA HB3 H 1 1.291 0.002 . 1 . . . . A 13 ALA HB3 . 34132 1 126 . 1 1 13 13 ALA CA C 13 54.679 0.000 . 1 . . . . A 13 ALA CA . 34132 1 127 . 1 1 13 13 ALA CB C 13 17.754 0.000 . 1 . . . . A 13 ALA CB . 34132 1 128 . 1 1 13 13 ALA N N 15 121.528 0.000 . 1 . . . . A 13 ALA N . 34132 1 129 . 1 1 14 14 GLY H H 1 8.250 0.003 . 1 . . . . A 14 GLY H . 34132 1 130 . 1 1 14 14 GLY HA2 H 1 3.869 0.002 . 1 . . . . A 14 GLY HA2 . 34132 1 131 . 1 1 14 14 GLY HA3 H 1 3.950 0.000 . 1 . . . . A 14 GLY HA3 . 34132 1 132 . 1 1 14 14 GLY N N 15 105.093 0.000 . 1 . . . . A 14 GLY N . 34132 1 133 . 1 1 15 15 SER H H 1 7.866 0.002 . 1 . . . . A 15 SER H . 34132 1 134 . 1 1 15 15 SER HA H 1 4.378 0.005 . 1 . . . . A 15 SER HA . 34132 1 135 . 1 1 15 15 SER HB2 H 1 4.024 0.002 . 2 . . . . A 15 SER HB2 . 34132 1 136 . 1 1 15 15 SER HB3 H 1 4.024 0.002 . 2 . . . . A 15 SER HB3 . 34132 1 137 . 1 1 15 15 SER CA C 13 59.864 0.000 . 1 . . . . A 15 SER CA . 34132 1 138 . 1 1 15 15 SER CB C 13 63.841 0.000 . 1 . . . . A 15 SER CB . 34132 1 139 . 1 1 15 15 SER N N 15 115.066 0.000 . 1 . . . . A 15 SER N . 34132 1 140 . 1 1 16 16 LYS H H 1 7.835 0.004 . 1 . . . . A 16 LYS H . 34132 1 141 . 1 1 16 16 LYS HA H 1 4.338 0.001 . 1 . . . . A 16 LYS HA . 34132 1 142 . 1 1 16 16 LYS HB2 H 1 1.928 0.006 . 2 . . . . A 16 LYS HB2 . 34132 1 143 . 1 1 16 16 LYS HB3 H 1 1.928 0.006 . 2 . . . . A 16 LYS HB3 . 34132 1 144 . 1 1 16 16 LYS HG2 H 1 1.478 0.000 . 2 . . . . A 16 LYS HG2 . 34132 1 145 . 1 1 16 16 LYS HG3 H 1 1.525 0.000 . 2 . . . . A 16 LYS HG3 . 34132 1 146 . 1 1 16 16 LYS HD2 H 1 1.731 0.000 . 2 . . . . A 16 LYS HD2 . 34132 1 147 . 1 1 16 16 LYS HD3 H 1 1.731 0.000 . 2 . . . . A 16 LYS HD3 . 34132 1 148 . 1 1 16 16 LYS CA C 13 56.861 0.000 . 1 . . . . A 16 LYS CA . 34132 1 149 . 1 1 16 16 LYS CB C 13 32.407 0.000 . 1 . . . . A 16 LYS CB . 34132 1 150 . 1 1 16 16 LYS N N 15 121.334 0.000 . 1 . . . . A 16 LYS N . 34132 1 151 . 1 1 17 17 LYS H H 1 7.918 0.004 . 1 . . . . A 17 LYS H . 34132 1 152 . 1 1 17 17 LYS HA H 1 4.295 0.003 . 1 . . . . A 17 LYS HA . 34132 1 153 . 1 1 17 17 LYS HB2 H 1 1.811 0.003 . 2 . . . . A 17 LYS HB2 . 34132 1 154 . 1 1 17 17 LYS HB3 H 1 1.859 0.004 . 2 . . . . A 17 LYS HB3 . 34132 1 155 . 1 1 17 17 LYS HG2 H 1 1.485 0.002 . 2 . . . . A 17 LYS HG2 . 34132 1 156 . 1 1 17 17 LYS HG3 H 1 1.485 0.002 . 2 . . . . A 17 LYS HG3 . 34132 1 157 . 1 1 17 17 LYS HD2 H 1 1.716 0.002 . 2 . . . . A 17 LYS HD2 . 34132 1 158 . 1 1 17 17 LYS HD3 H 1 1.716 0.002 . 2 . . . . A 17 LYS HD3 . 34132 1 159 . 1 1 17 17 LYS HE2 H 1 3.021 0.002 . 2 . . . . A 17 LYS HE2 . 34132 1 160 . 1 1 17 17 LYS HE3 H 1 3.021 0.002 . 2 . . . . A 17 LYS HE3 . 34132 1 161 . 1 1 17 17 LYS CA C 13 56.652 0.000 . 1 . . . . A 17 LYS CA . 34132 1 162 . 1 1 17 17 LYS CB C 13 33.396 0.007 . 1 . . . . A 17 LYS CB . 34132 1 163 . 1 1 17 17 LYS CD C 13 28.925 0.000 . 1 . . . . A 17 LYS CD . 34132 1 164 . 1 1 17 17 LYS CE C 13 42.382 0.000 . 1 . . . . A 17 LYS CE . 34132 1 165 . 1 1 17 17 LYS N N 15 120.579 0.000 . 1 . . . . A 17 LYS N . 34132 1 166 . 1 1 18 18 ACA H21 H 1 2.326 0.005 . 2 . . . . A 18 ACA H21 . 34132 1 167 . 1 1 18 18 ACA H22 H 1 2.375 0.003 . 2 . . . . A 18 ACA H22 . 34132 1 168 . 1 1 18 18 ACA H31 H 1 1.656 0.005 . 2 . . . . A 18 ACA H31 . 34132 1 169 . 1 1 18 18 ACA H32 H 1 1.656 0.005 . 2 . . . . A 18 ACA H32 . 34132 1 170 . 1 1 18 18 ACA H41 H 1 1.353 0.002 . 2 . . . . A 18 ACA H41 . 34132 1 171 . 1 1 18 18 ACA H42 H 1 1.353 0.002 . 2 . . . . A 18 ACA H42 . 34132 1 172 . 1 1 18 18 ACA H51 H 1 1.550 0.002 . 2 . . . . A 18 ACA H51 . 34132 1 173 . 1 1 18 18 ACA H52 H 1 1.550 0.002 . 2 . . . . A 18 ACA H52 . 34132 1 174 . 1 1 18 18 ACA H61 H 1 3.214 0.001 . 2 . . . . A 18 ACA H61 . 34132 1 175 . 1 1 18 18 ACA H62 H 1 3.214 0.001 . 2 . . . . A 18 ACA H62 . 34132 1 176 . 1 1 18 18 ACA C2 C 13 38.103 0.004 . 1 . . . . A 18 ACA C2 . 34132 1 177 . 1 1 18 18 ACA C3 C 13 27.300 0.000 . 1 . . . . A 18 ACA C3 . 34132 1 178 . 1 1 18 18 ACA C4 C 13 28.527 0.000 . 1 . . . . A 18 ACA C4 . 34132 1 179 . 1 1 18 18 ACA C5 C 13 30.832 0.000 . 1 . . . . A 18 ACA C5 . 34132 1 180 . 1 1 18 18 ACA C6 C 13 42.193 0.000 . 1 . . . . A 18 ACA C6 . 34132 1 181 . 1 1 18 18 ACA N6 N 15 120.640 0.000 . 1 . . . . A 18 ACA N6 . 34132 1 182 . 1 1 18 18 ACA HN61 H 1 7.525 0.002 . 1 . . . . A 18 ACA HN61 . 34132 1 183 . 1 1 19 19 LYS H H 1 8.061 0.003 . 1 . . . . A 19 LYS H . 34132 1 184 . 1 1 19 19 LYS HA H 1 4.346 0.004 . 1 . . . . A 19 LYS HA . 34132 1 185 . 1 1 19 19 LYS HB2 H 1 1.809 0.003 . 2 . . . . A 19 LYS HB2 . 34132 1 186 . 1 1 19 19 LYS HB3 H 1 1.886 0.000 . 2 . . . . A 19 LYS HB3 . 34132 1 187 . 1 1 19 19 LYS HG2 H 1 1.504 0.002 . 2 . . . . A 19 LYS HG2 . 34132 1 188 . 1 1 19 19 LYS HG3 H 1 1.504 0.002 . 2 . . . . A 19 LYS HG3 . 34132 1 189 . 1 1 19 19 LYS HD2 H 1 1.756 0.001 . 2 . . . . A 19 LYS HD2 . 34132 1 190 . 1 1 19 19 LYS HD3 H 1 1.756 0.001 . 2 . . . . A 19 LYS HD3 . 34132 1 191 . 1 1 19 19 LYS HE2 H 1 3.040 0.003 . 2 . . . . A 19 LYS HE2 . 34132 1 192 . 1 1 19 19 LYS HE3 H 1 3.040 0.003 . 2 . . . . A 19 LYS HE3 . 34132 1 193 . 1 1 19 19 LYS CA C 13 56.962 0.000 . 1 . . . . A 19 LYS CA . 34132 1 194 . 1 1 19 19 LYS CB C 13 33.371 0.004 . 1 . . . . A 19 LYS CB . 34132 1 195 . 1 1 19 19 LYS CG C 13 24.746 0.000 . 1 . . . . A 19 LYS CG . 34132 1 196 . 1 1 19 19 LYS CD C 13 29.129 0.000 . 1 . . . . A 19 LYS CD . 34132 1 197 . 1 1 19 19 LYS CE C 13 42.196 0.000 . 1 . . . . A 19 LYS CE . 34132 1 198 . 1 1 19 19 LYS N N 15 124.142 0.000 . 1 . . . . A 19 LYS N . 34132 1 199 . 1 1 20 20 ASN H H 1 8.109 0.002 . 1 . . . . A 20 ASN H . 34132 1 200 . 1 1 20 20 ASN HA H 1 4.690 0.008 . 1 . . . . A 20 ASN HA . 34132 1 201 . 1 1 20 20 ASN HB2 H 1 2.997 0.004 . 2 . . . . A 20 ASN HB2 . 34132 1 202 . 1 1 20 20 ASN HB3 H 1 2.997 0.004 . 2 . . . . A 20 ASN HB3 . 34132 1 203 . 1 1 20 20 ASN HD21 H 1 6.744 0.003 . 2 . . . . A 20 ASN HD21 . 34132 1 204 . 1 1 20 20 ASN HD22 H 1 7.381 0.002 . 2 . . . . A 20 ASN HD22 . 34132 1 205 . 1 1 20 20 ASN CB C 13 39.142 0.000 . 1 . . . . A 20 ASN CB . 34132 1 206 . 1 1 20 20 ASN N N 15 115.796 0.000 . 1 . . . . A 20 ASN N . 34132 1 207 . 1 1 20 20 ASN ND2 N 15 111.431 0.000 . 1 . . . . A 20 ASN ND2 . 34132 1 208 . 1 1 21 21 GLU H H 1 9.092 0.001 . 1 . . . . A 21 GLU H . 34132 1 209 . 1 1 21 21 GLU HA H 1 4.060 0.003 . 1 . . . . A 21 GLU HA . 34132 1 210 . 1 1 21 21 GLU HB2 H 1 2.133 0.002 . 2 . . . . A 21 GLU HB2 . 34132 1 211 . 1 1 21 21 GLU HB3 H 1 2.133 0.002 . 2 . . . . A 21 GLU HB3 . 34132 1 212 . 1 1 21 21 GLU HG2 H 1 2.422 0.009 . 2 . . . . A 21 GLU HG2 . 34132 1 213 . 1 1 21 21 GLU HG3 H 1 2.465 0.004 . 2 . . . . A 21 GLU HG3 . 34132 1 214 . 1 1 21 21 GLU CA C 13 60.116 0.000 . 1 . . . . A 21 GLU CA . 34132 1 215 . 1 1 21 21 GLU CB C 13 28.882 0.000 . 1 . . . . A 21 GLU CB . 34132 1 216 . 1 1 21 21 GLU CG C 13 35.566 0.000 . 1 . . . . A 21 GLU CG . 34132 1 217 . 1 1 21 21 GLU N N 15 120.136 0.000 . 1 . . . . A 21 GLU N . 34132 1 218 . 1 1 22 22 GLN H H 1 8.208 0.002 . 1 . . . . A 22 GLN H . 34132 1 219 . 1 1 22 22 GLN HA H 1 4.062 0.002 . 1 . . . . A 22 GLN HA . 34132 1 220 . 1 1 22 22 GLN HB2 H 1 2.195 0.005 . 2 . . . . A 22 GLN HB2 . 34132 1 221 . 1 1 22 22 GLN HB3 H 1 2.195 0.005 . 2 . . . . A 22 GLN HB3 . 34132 1 222 . 1 1 22 22 GLN HG2 H 1 2.464 0.003 . 2 . . . . A 22 GLN HG2 . 34132 1 223 . 1 1 22 22 GLN HG3 H 1 2.464 0.003 . 2 . . . . A 22 GLN HG3 . 34132 1 224 . 1 1 22 22 GLN HE21 H 1 6.577 0.004 . 2 . . . . A 22 GLN HE21 . 34132 1 225 . 1 1 22 22 GLN HE22 H 1 7.200 0.004 . 2 . . . . A 22 GLN HE22 . 34132 1 226 . 1 1 22 22 GLN CA C 13 59.530 0.000 . 1 . . . . A 22 GLN CA . 34132 1 227 . 1 1 22 22 GLN CB C 13 28.099 0.000 . 1 . . . . A 22 GLN CB . 34132 1 228 . 1 1 22 22 GLN CG C 13 34.190 0.000 . 1 . . . . A 22 GLN CG . 34132 1 229 . 1 1 22 22 GLN N N 15 117.635 0.000 . 1 . . . . A 22 GLN N . 34132 1 230 . 1 1 22 22 GLN NE2 N 15 109.572 0.015 . 1 . . . . A 22 GLN NE2 . 34132 1 231 . 1 1 23 23 GLU H H 1 8.092 0.003 . 1 . . . . A 23 GLU H . 34132 1 232 . 1 1 23 23 GLU HA H 1 4.106 0.004 . 1 . . . . A 23 GLU HA . 34132 1 233 . 1 1 23 23 GLU HB2 H 1 2.169 0.002 . 2 . . . . A 23 GLU HB2 . 34132 1 234 . 1 1 23 23 GLU HB3 H 1 2.169 0.002 . 2 . . . . A 23 GLU HB3 . 34132 1 235 . 1 1 23 23 GLU HG2 H 1 2.392 0.003 . 2 . . . . A 23 GLU HG2 . 34132 1 236 . 1 1 23 23 GLU HG3 H 1 2.589 0.001 . 2 . . . . A 23 GLU HG3 . 34132 1 237 . 1 1 23 23 GLU CA C 13 59.516 0.000 . 1 . . . . A 23 GLU CA . 34132 1 238 . 1 1 23 23 GLU CB C 13 29.597 0.000 . 1 . . . . A 23 GLU CB . 34132 1 239 . 1 1 23 23 GLU CG C 13 36.000 0.000 . 1 . . . . A 23 GLU CG . 34132 1 240 . 1 1 23 23 GLU N N 15 118.345 0.000 . 1 . . . . A 23 GLU N . 34132 1 241 . 1 1 24 24 LEU H H 1 7.763 0.003 . 1 . . . . A 24 LEU H . 34132 1 242 . 1 1 24 24 LEU HA H 1 4.193 0.004 . 1 . . . . A 24 LEU HA . 34132 1 243 . 1 1 24 24 LEU HB2 H 1 1.730 0.007 . 2 . . . . A 24 LEU HB2 . 34132 1 244 . 1 1 24 24 LEU HB3 H 1 1.853 0.003 . 2 . . . . A 24 LEU HB3 . 34132 1 245 . 1 1 24 24 LEU HG H 1 1.747 0.006 . 1 . . . . A 24 LEU HG . 34132 1 246 . 1 1 24 24 LEU HD11 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD11 . 34132 1 247 . 1 1 24 24 LEU HD12 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD12 . 34132 1 248 . 1 1 24 24 LEU HD13 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD13 . 34132 1 249 . 1 1 24 24 LEU HD21 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD21 . 34132 1 250 . 1 1 24 24 LEU HD22 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD22 . 34132 1 251 . 1 1 24 24 LEU HD23 H 1 0.938 0.007 . 2 . . . . A 24 LEU HD23 . 34132 1 252 . 1 1 24 24 LEU CA C 13 58.208 0.000 . 1 . . . . A 24 LEU CA . 34132 1 253 . 1 1 24 24 LEU CB C 13 41.854 0.007 . 1 . . . . A 24 LEU CB . 34132 1 254 . 1 1 24 24 LEU CG C 13 27.205 0.000 . 1 . . . . A 24 LEU CG . 34132 1 255 . 1 1 24 24 LEU CD1 C 13 23.045 0.000 . 1 . . . . A 24 LEU CD1 . 34132 1 256 . 1 1 24 24 LEU CD2 C 13 23.997 0.000 . 1 . . . . A 24 LEU CD2 . 34132 1 257 . 1 1 24 24 LEU N N 15 119.378 0.000 . 1 . . . . A 24 LEU N . 34132 1 258 . 1 1 25 25 LEU H H 1 7.996 0.003 . 1 . . . . A 25 LEU H . 34132 1 259 . 1 1 25 25 LEU HA H 1 4.183 0.002 . 1 . . . . A 25 LEU HA . 34132 1 260 . 1 1 25 25 LEU HB2 H 1 1.657 0.003 . 2 . . . . A 25 LEU HB2 . 34132 1 261 . 1 1 25 25 LEU HB3 H 1 1.956 0.004 . 2 . . . . A 25 LEU HB3 . 34132 1 262 . 1 1 25 25 LEU HG H 1 1.857 0.002 . 1 . . . . A 25 LEU HG . 34132 1 263 . 1 1 25 25 LEU HD11 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD11 . 34132 1 264 . 1 1 25 25 LEU HD12 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD12 . 34132 1 265 . 1 1 25 25 LEU HD13 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD13 . 34132 1 266 . 1 1 25 25 LEU HD21 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD21 . 34132 1 267 . 1 1 25 25 LEU HD22 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD22 . 34132 1 268 . 1 1 25 25 LEU HD23 H 1 0.948 0.007 . 2 . . . . A 25 LEU HD23 . 34132 1 269 . 1 1 25 25 LEU CA C 13 58.167 0.000 . 1 . . . . A 25 LEU CA . 34132 1 270 . 1 1 25 25 LEU CB C 13 41.959 0.023 . 1 . . . . A 25 LEU CB . 34132 1 271 . 1 1 25 25 LEU CG C 13 27.157 0.000 . 1 . . . . A 25 LEU CG . 34132 1 272 . 1 1 25 25 LEU CD1 C 13 22.877 0.000 . 1 . . . . A 25 LEU CD1 . 34132 1 273 . 1 1 25 25 LEU CD2 C 13 23.836 0.000 . 1 . . . . A 25 LEU CD2 . 34132 1 274 . 1 1 25 25 LEU N N 15 118.838 0.000 . 1 . . . . A 25 LEU N . 34132 1 275 . 1 1 26 26 GLU H H 1 7.924 0.002 . 1 . . . . A 26 GLU H . 34132 1 276 . 1 1 26 26 GLU HA H 1 4.172 0.003 . 1 . . . . A 26 GLU HA . 34132 1 277 . 1 1 26 26 GLU HB2 H 1 2.222 0.005 . 1 . . . . A 26 GLU HB2 . 34132 1 278 . 1 1 26 26 GLU HB3 H 1 2.275 0.001 . 1 . . . . A 26 GLU HB3 . 34132 1 279 . 1 1 26 26 GLU HG2 H 1 2.471 0.005 . 2 . . . . A 26 GLU HG2 . 34132 1 280 . 1 1 26 26 GLU HG3 H 1 2.565 0.005 . 2 . . . . A 26 GLU HG3 . 34132 1 281 . 1 1 26 26 GLU CA C 13 59.142 0.000 . 1 . . . . A 26 GLU CA . 34132 1 282 . 1 1 26 26 GLU CB C 13 28.891 0.000 . 1 . . . . A 26 GLU CB . 34132 1 283 . 1 1 26 26 GLU CG C 13 34.953 0.008 . 1 . . . . A 26 GLU CG . 34132 1 284 . 1 1 27 27 LEU H H 1 8.191 0.003 . 1 . . . . A 27 LEU H . 34132 1 285 . 1 1 27 27 LEU HA H 1 4.306 0.004 . 1 . . . . A 27 LEU HA . 34132 1 286 . 1 1 27 27 LEU HB2 H 1 1.902 0.004 . 2 . . . . A 27 LEU HB2 . 34132 1 287 . 1 1 27 27 LEU HB3 H 1 1.902 0.004 . 2 . . . . A 27 LEU HB3 . 34132 1 288 . 1 1 27 27 LEU HG H 1 1.863 0.002 . 1 . . . . A 27 LEU HG . 34132 1 289 . 1 1 27 27 LEU HD11 H 1 0.947 0.002 . 1 . . . . A 27 LEU HD11 . 34132 1 290 . 1 1 27 27 LEU HD12 H 1 0.947 0.002 . 1 . . . . A 27 LEU HD12 . 34132 1 291 . 1 1 27 27 LEU HD13 H 1 0.947 0.002 . 1 . . . . A 27 LEU HD13 . 34132 1 292 . 1 1 27 27 LEU HD21 H 1 1.013 0.001 . 1 . . . . A 27 LEU HD21 . 34132 1 293 . 1 1 27 27 LEU HD22 H 1 1.013 0.001 . 1 . . . . A 27 LEU HD22 . 34132 1 294 . 1 1 27 27 LEU HD23 H 1 1.013 0.001 . 1 . . . . A 27 LEU HD23 . 34132 1 295 . 1 1 27 27 LEU CA C 13 58.570 0.000 . 1 . . . . A 27 LEU CA . 34132 1 296 . 1 1 27 27 LEU CB C 13 41.962 0.000 . 1 . . . . A 27 LEU CB . 34132 1 297 . 1 1 27 27 LEU CG C 13 27.266 0.000 . 1 . . . . A 27 LEU CG . 34132 1 298 . 1 1 27 27 LEU CD1 C 13 24.186 0.000 . 1 . . . . A 27 LEU CD1 . 34132 1 299 . 1 1 27 27 LEU CD2 C 13 23.807 0.000 . 1 . . . . A 27 LEU CD2 . 34132 1 300 . 1 1 27 27 LEU N N 15 121.390 0.000 . 1 . . . . A 27 LEU N . 34132 1 301 . 1 1 28 28 ASP H H 1 8.445 0.003 . 1 . . . . A 28 ASP H . 34132 1 302 . 1 1 28 28 ASP HA H 1 4.485 0.006 . 1 . . . . A 28 ASP HA . 34132 1 303 . 1 1 28 28 ASP HB2 H 1 2.874 0.003 . 2 . . . . A 28 ASP HB2 . 34132 1 304 . 1 1 28 28 ASP HB3 H 1 2.947 0.003 . 2 . . . . A 28 ASP HB3 . 34132 1 305 . 1 1 28 28 ASP CA C 13 57.277 0.000 . 1 . . . . A 28 ASP CA . 34132 1 306 . 1 1 28 28 ASP CB C 13 40.508 0.001 . 1 . . . . A 28 ASP CB . 34132 1 307 . 1 1 28 28 ASP N N 15 117.638 0.000 . 1 . . . . A 28 ASP N . 34132 1 308 . 1 1 29 29 LYS H H 1 8.138 0.001 . 1 . . . . A 29 LYS H . 34132 1 309 . 1 1 29 29 LYS HA H 1 4.080 0.003 . 1 . . . . A 29 LYS HA . 34132 1 310 . 1 1 29 29 LYS HB2 H 1 1.994 0.005 . 2 . . . . A 29 LYS HB2 . 34132 1 311 . 1 1 29 29 LYS HB3 H 1 2.065 0.002 . 2 . . . . A 29 LYS HB3 . 34132 1 312 . 1 1 29 29 LYS HG2 H 1 1.460 0.002 . 2 . . . . A 29 LYS HG2 . 34132 1 313 . 1 1 29 29 LYS HG3 H 1 1.580 0.002 . 2 . . . . A 29 LYS HG3 . 34132 1 314 . 1 1 29 29 LYS HD2 H 1 1.709 0.001 . 2 . . . . A 29 LYS HD2 . 34132 1 315 . 1 1 29 29 LYS HD3 H 1 1.709 0.001 . 2 . . . . A 29 LYS HD3 . 34132 1 316 . 1 1 29 29 LYS HE2 H 1 2.945 0.001 . 2 . . . . A 29 LYS HE2 . 34132 1 317 . 1 1 29 29 LYS HE3 H 1 2.898 0.002 . 2 . . . . A 29 LYS HE3 . 34132 1 318 . 1 1 29 29 LYS CA C 13 59.479 0.000 . 1 . . . . A 29 LYS CA . 34132 1 319 . 1 1 29 29 LYS CB C 13 31.956 0.001 . 1 . . . . A 29 LYS CB . 34132 1 320 . 1 1 29 29 LYS CE C 13 42.302 0.004 . 1 . . . . A 29 LYS CE . 34132 1 321 . 1 1 29 29 LYS N N 15 120.594 0.000 . 1 . . . . A 29 LYS N . 34132 1 322 . 1 1 30 30 TRP H H 1 8.354 0.002 . 1 . . . . A 30 TRP H . 34132 1 323 . 1 1 30 30 TRP HA H 1 4.421 0.004 . 1 . . . . A 30 TRP HA . 34132 1 324 . 1 1 30 30 TRP HB2 H 1 3.386 0.004 . 2 . . . . A 30 TRP HB2 . 34132 1 325 . 1 1 30 30 TRP HB3 H 1 3.491 0.004 . 2 . . . . A 30 TRP HB3 . 34132 1 326 . 1 1 30 30 TRP HD1 H 1 7.161 0.002 . 1 . . . . A 30 TRP HD1 . 34132 1 327 . 1 1 30 30 TRP HE1 H 1 9.165 0.002 . 1 . . . . A 30 TRP HE1 . 34132 1 328 . 1 1 30 30 TRP HE3 H 1 7.680 0.001 . 1 . . . . A 30 TRP HE3 . 34132 1 329 . 1 1 30 30 TRP HZ2 H 1 7.239 0.002 . 1 . . . . A 30 TRP HZ2 . 34132 1 330 . 1 1 30 30 TRP HZ3 H 1 7.141 0.003 . 1 . . . . A 30 TRP HZ3 . 34132 1 331 . 1 1 30 30 TRP HH2 H 1 7.236 0.002 . 1 . . . . A 30 TRP HH2 . 34132 1 332 . 1 1 30 30 TRP CA C 13 60.747 0.000 . 1 . . . . A 30 TRP CA . 34132 1 333 . 1 1 30 30 TRP N N 15 121.368 0.000 . 1 . . . . A 30 TRP N . 34132 1 334 . 1 1 30 30 TRP NE1 N 15 125.576 0.000 . 1 . . . . A 30 TRP NE1 . 34132 1 335 . 1 1 31 31 ALA H H 1 8.982 0.001 . 1 . . . . A 31 ALA H . 34132 1 336 . 1 1 31 31 ALA HA H 1 3.840 0.004 . 1 . . . . A 31 ALA HA . 34132 1 337 . 1 1 31 31 ALA HB1 H 1 1.554 0.002 . 1 . . . . A 31 ALA HB1 . 34132 1 338 . 1 1 31 31 ALA HB2 H 1 1.554 0.002 . 1 . . . . A 31 ALA HB2 . 34132 1 339 . 1 1 31 31 ALA HB3 H 1 1.554 0.002 . 1 . . . . A 31 ALA HB3 . 34132 1 340 . 1 1 31 31 ALA CA C 13 55.395 0.000 . 1 . . . . A 31 ALA CA . 34132 1 341 . 1 1 31 31 ALA CB C 13 17.768 0.000 . 1 . . . . A 31 ALA CB . 34132 1 342 . 1 1 31 31 ALA N N 15 120.409 0.000 . 1 . . . . A 31 ALA N . 34132 1 343 . 1 1 32 32 SER H H 1 8.047 0.002 . 1 . . . . A 32 SER H . 34132 1 344 . 1 1 32 32 SER HA H 1 4.257 0.004 . 1 . . . . A 32 SER HA . 34132 1 345 . 1 1 32 32 SER HB2 H 1 4.010 0.003 . 2 . . . . A 32 SER HB2 . 34132 1 346 . 1 1 32 32 SER HB3 H 1 4.095 0.004 . 2 . . . . A 32 SER HB3 . 34132 1 347 . 1 1 32 32 SER CA C 13 61.457 0.000 . 1 . . . . A 32 SER CA . 34132 1 348 . 1 1 32 32 SER CB C 13 63.271 0.000 . 1 . . . . A 32 SER CB . 34132 1 349 . 1 1 32 32 SER N N 15 112.884 0.000 . 1 . . . . A 32 SER N . 34132 1 350 . 1 1 33 33 LEU H H 1 7.787 0.002 . 1 . . . . A 33 LEU H . 34132 1 351 . 1 1 33 33 LEU HA H 1 4.122 0.002 . 1 . . . . A 33 LEU HA . 34132 1 352 . 1 1 33 33 LEU HB2 H 1 1.288 0.003 . 1 . . . . A 33 LEU HB2 . 34132 1 353 . 1 1 33 33 LEU HB3 H 1 1.630 0.002 . 1 . . . . A 33 LEU HB3 . 34132 1 354 . 1 1 33 33 LEU HG H 1 1.597 0.004 . 1 . . . . A 33 LEU HG . 34132 1 355 . 1 1 33 33 LEU HD11 H 1 0.754 0.001 . 2 . . . . A 33 LEU HD11 . 34132 1 356 . 1 1 33 33 LEU HD12 H 1 0.754 0.001 . 2 . . . . A 33 LEU HD12 . 34132 1 357 . 1 1 33 33 LEU HD13 H 1 0.754 0.001 . 2 . . . . A 33 LEU HD13 . 34132 1 358 . 1 1 33 33 LEU HD21 H 1 0.826 0.002 . 2 . . . . A 33 LEU HD21 . 34132 1 359 . 1 1 33 33 LEU HD22 H 1 0.826 0.002 . 2 . . . . A 33 LEU HD22 . 34132 1 360 . 1 1 33 33 LEU HD23 H 1 0.826 0.002 . 2 . . . . A 33 LEU HD23 . 34132 1 361 . 1 1 33 33 LEU CA C 13 57.293 0.000 . 1 . . . . A 33 LEU CA . 34132 1 362 . 1 1 33 33 LEU CB C 13 41.944 0.003 . 1 . . . . A 33 LEU CB . 34132 1 363 . 1 1 33 33 LEU CD1 C 13 22.728 0.000 . 1 . . . . A 33 LEU CD1 . 34132 1 364 . 1 1 33 33 LEU CD2 C 13 24.312 0.000 . 1 . . . . A 33 LEU CD2 . 34132 1 365 . 1 1 33 33 LEU N N 15 123.421 0.000 . 1 . . . . A 33 LEU N . 34132 1 366 . 1 1 34 34 TRP H H 1 7.784 0.002 . 1 . . . . A 34 TRP H . 34132 1 367 . 1 1 34 34 TRP HA H 1 4.502 0.003 . 1 . . . . A 34 TRP HA . 34132 1 368 . 1 1 34 34 TRP HB2 H 1 2.927 0.003 . 1 . . . . A 34 TRP HB2 . 34132 1 369 . 1 1 34 34 TRP HB3 H 1 3.153 0.001 . 1 . . . . A 34 TRP HB3 . 34132 1 370 . 1 1 34 34 TRP HD1 H 1 6.765 0.001 . 1 . . . . A 34 TRP HD1 . 34132 1 371 . 1 1 34 34 TRP HE1 H 1 8.154 0.003 . 1 . . . . A 34 TRP HE1 . 34132 1 372 . 1 1 34 34 TRP HE3 H 1 7.530 0.001 . 1 . . . . A 34 TRP HE3 . 34132 1 373 . 1 1 34 34 TRP HZ2 H 1 7.289 0.002 . 1 . . . . A 34 TRP HZ2 . 34132 1 374 . 1 1 34 34 TRP HZ3 H 1 7.114 0.001 . 1 . . . . A 34 TRP HZ3 . 34132 1 375 . 1 1 34 34 TRP HH2 H 1 7.179 0.000 . 1 . . . . A 34 TRP HH2 . 34132 1 376 . 1 1 34 34 TRP CA C 13 58.072 0.000 . 1 . . . . A 34 TRP CA . 34132 1 377 . 1 1 34 34 TRP NE1 N 15 125.333 0.000 . 1 . . . . A 34 TRP NE1 . 34132 1 378 . 1 1 35 35 ASN H H 1 7.877 0.003 . 1 . . . . A 35 ASN H . 34132 1 379 . 1 1 35 35 ASN HA H 1 4.672 0.005 . 1 . . . . A 35 ASN HA . 34132 1 380 . 1 1 35 35 ASN HB2 H 1 2.697 0.002 . 2 . . . . A 35 ASN HB2 . 34132 1 381 . 1 1 35 35 ASN HB3 H 1 2.762 0.003 . 2 . . . . A 35 ASN HB3 . 34132 1 382 . 1 1 35 35 ASN HD21 H 1 6.443 0.006 . 2 . . . . A 35 ASN HD21 . 34132 1 383 . 1 1 35 35 ASN HD22 H 1 7.408 0.003 . 2 . . . . A 35 ASN HD22 . 34132 1 384 . 1 1 35 35 ASN CB C 13 39.494 0.013 . 1 . . . . A 35 ASN CB . 34132 1 385 . 1 1 35 35 ASN N N 15 118.012 0.000 . 1 . . . . A 35 ASN N . 34132 1 386 . 1 1 35 35 ASN ND2 N 15 110.898 0.021 . 1 . . . . A 35 ASN ND2 . 34132 1 stop_ save_