################################### # 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 3 $15N_13C-GlyTM1bZip . 4995 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 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 4995 1 2 . 1 1 1 1 GLY HA3 H 1 3.91 0.02 . 1 . . . . . . . . 4995 1 3 . 1 1 1 1 GLY C C 13 170.1 0.05 . 1 . . . . . . . . 4995 1 4 . 1 1 1 1 GLY CA C 13 43.1 0.05 . 1 . . . . . . . . 4995 1 5 . 1 1 2 2 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 4995 1 6 . 1 1 2 2 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4995 1 7 . 1 1 2 2 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 8 . 1 1 2 2 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 9 . 1 1 2 2 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4995 1 10 . 1 1 2 2 ALA C C 13 178.5 0.05 . 1 . . . . . . . . 4995 1 11 . 1 1 2 2 ALA CA C 13 52.5 0.05 . 1 . . . . . . . . 4995 1 12 . 1 1 2 2 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 4995 1 13 . 1 1 2 2 ALA N N 15 124 0.05 . 1 . . . . . . . . 4995 1 14 . 1 1 3 3 GLY H H 1 8.73 0.02 . 1 . . . . . . . . 4995 1 15 . 1 1 3 3 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 16 . 1 1 3 3 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 17 . 1 1 3 3 GLY C C 13 174.6 0.05 . 1 . . . . . . . . 4995 1 18 . 1 1 3 3 GLY CA C 13 45.1 0.05 . 1 . . . . . . . . 4995 1 19 . 1 1 3 3 GLY N N 15 108.9 0.05 . 1 . . . . . . . . 4995 1 20 . 1 1 4 4 SER H H 1 8.41 0.02 . 1 . . . . . . . . 4995 1 21 . 1 1 4 4 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4995 1 22 . 1 1 4 4 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 4995 1 23 . 1 1 4 4 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 4995 1 24 . 1 1 4 4 SER C C 13 175.2 0.05 . 1 . . . . . . . . 4995 1 25 . 1 1 4 4 SER CA C 13 58.4 0.05 . 1 . . . . . . . . 4995 1 26 . 1 1 4 4 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 4995 1 27 . 1 1 4 4 SER N N 15 116 0.05 . 1 . . . . . . . . 4995 1 28 . 1 1 5 5 SER H H 1 8.64 0.02 . 1 . . . . . . . . 4995 1 29 . 1 1 5 5 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 4995 1 30 . 1 1 5 5 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 31 . 1 1 5 5 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 32 . 1 1 5 5 SER C C 13 175.4 0.05 . 1 . . . . . . . . 4995 1 33 . 1 1 5 5 SER CA C 13 58.6 0.05 . 1 . . . . . . . . 4995 1 34 . 1 1 5 5 SER CB C 13 63.2 0.05 . 1 . . . . . . . . 4995 1 35 . 1 1 5 5 SER N N 15 118.5 0.05 . 1 . . . . . . . . 4995 1 36 . 1 1 6 6 SER H H 1 8.45 0.02 . 1 . . . . . . . . 4995 1 37 . 1 1 6 6 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 38 . 1 1 6 6 SER HB2 H 1 4.09 0.02 . 2 . . . . . . . . 4995 1 39 . 1 1 6 6 SER HB3 H 1 3.94 0.02 . 2 . . . . . . . . 4995 1 40 . 1 1 6 6 SER C C 13 175.4 0.05 . 1 . . . . . . . . 4995 1 41 . 1 1 6 6 SER CA C 13 58.9 0.05 . 1 . . . . . . . . 4995 1 42 . 1 1 6 6 SER CB C 13 63.3 0.05 . 1 . . . . . . . . 4995 1 43 . 1 1 6 6 SER N N 15 118.8 0.05 . 1 . . . . . . . . 4995 1 44 . 1 1 7 7 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4995 1 45 . 1 1 7 7 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4995 1 46 . 1 1 7 7 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4995 1 47 . 1 1 7 7 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4995 1 48 . 1 1 7 7 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4995 1 49 . 1 1 7 7 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 50 . 1 1 7 7 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 51 . 1 1 7 7 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 52 . 1 1 7 7 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 53 . 1 1 7 7 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 54 . 1 1 7 7 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4995 1 55 . 1 1 7 7 LEU C C 13 178.5 0.05 . 1 . . . . . . . . 4995 1 56 . 1 1 7 7 LEU CA C 13 57.1 0.05 . 1 . . . . . . . . 4995 1 57 . 1 1 7 7 LEU CB C 13 41.6 0.05 . 1 . . . . . . . . 4995 1 58 . 1 1 7 7 LEU CD1 C 13 23.7 0.05 . 2 . . . . . . . . 4995 1 59 . 1 1 7 7 LEU CD2 C 13 30.4 0.05 . 2 . . . . . . . . 4995 1 60 . 1 1 7 7 LEU N N 15 123.9 0.05 . 1 . . . . . . . . 4995 1 61 . 1 1 8 8 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 4995 1 62 . 1 1 8 8 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 63 . 1 1 8 8 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4995 1 64 . 1 1 8 8 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4995 1 65 . 1 1 8 8 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4995 1 66 . 1 1 8 8 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4995 1 67 . 1 1 8 8 GLU C C 13 178.7 0.05 . 1 . . . . . . . . 4995 1 68 . 1 1 8 8 GLU CA C 13 59.2 0.05 . 1 . . . . . . . . 4995 1 69 . 1 1 8 8 GLU CB C 13 28.8 0.05 . 1 . . . . . . . . 4995 1 70 . 1 1 8 8 GLU CG C 13 35.8 0.05 . 1 . . . . . . . . 4995 1 71 . 1 1 8 8 GLU N N 15 118.8 0.05 . 1 . . . . . . . . 4995 1 72 . 1 1 9 9 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 4995 1 73 . 1 1 9 9 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4995 1 74 . 1 1 9 9 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 75 . 1 1 9 9 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 76 . 1 1 9 9 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4995 1 77 . 1 1 9 9 ALA C C 13 181.3 0.05 . 1 . . . . . . . . 4995 1 78 . 1 1 9 9 ALA CA C 13 55.1 0.05 . 1 . . . . . . . . 4995 1 79 . 1 1 9 9 ALA CB C 13 17.9 0.05 . 1 . . . . . . . . 4995 1 80 . 1 1 9 9 ALA N N 15 121.7 0.05 . 1 . . . . . . . . 4995 1 81 . 1 1 10 10 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4995 1 82 . 1 1 10 10 VAL HA H 1 3.85 0.02 . 1 . . . . . . . . 4995 1 83 . 1 1 10 10 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . 4995 1 84 . 1 1 10 10 VAL HG11 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 85 . 1 1 10 10 VAL HG12 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 86 . 1 1 10 10 VAL HG13 H 1 1.13 0.02 . 2 . . . . . . . . 4995 1 87 . 1 1 10 10 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 88 . 1 1 10 10 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 89 . 1 1 10 10 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 90 . 1 1 10 10 VAL C C 13 178 0.05 . 1 . . . . . . . . 4995 1 91 . 1 1 10 10 VAL CA C 13 65.8 0.05 . 1 . . . . . . . . 4995 1 92 . 1 1 10 10 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . 4995 1 93 . 1 1 10 10 VAL CG1 C 13 21.9 0.05 . 2 . . . . . . . . 4995 1 94 . 1 1 10 10 VAL CG2 C 13 22.2 0.05 . 2 . . . . . . . . 4995 1 95 . 1 1 10 10 VAL N N 15 118.7 0.05 . 1 . . . . . . . . 4995 1 96 . 1 1 11 11 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4995 1 97 . 1 1 11 11 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 98 . 1 1 11 11 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4995 1 99 . 1 1 11 11 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4995 1 100 . 1 1 11 11 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4995 1 101 . 1 1 11 11 ARG HG3 H 1 1.8 0.02 . 2 . . . . . . . . 4995 1 102 . 1 1 11 11 ARG HD2 H 1 3.2 0.02 . 1 . . . . . . . . 4995 1 103 . 1 1 11 11 ARG HD3 H 1 3.2 0.02 . 1 . . . . . . . . 4995 1 104 . 1 1 11 11 ARG C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 105 . 1 1 11 11 ARG CA C 13 59.7 0.05 . 1 . . . . . . . . 4995 1 106 . 1 1 11 11 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 4995 1 107 . 1 1 11 11 ARG CG C 13 27.9 0.05 . 1 . . . . . . . . 4995 1 108 . 1 1 11 11 ARG CD C 13 43.4 0.05 . 1 . . . . . . . . 4995 1 109 . 1 1 11 11 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 110 . 1 1 12 12 ARG H H 1 8.1 0.02 . 1 . . . . . . . . 4995 1 111 . 1 1 12 12 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 4995 1 112 . 1 1 12 12 ARG HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 113 . 1 1 12 12 ARG HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 114 . 1 1 12 12 ARG HG2 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 115 . 1 1 12 12 ARG HG3 H 1 1.87 0.02 . 2 . . . . . . . . 4995 1 116 . 1 1 12 12 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 117 . 1 1 12 12 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 118 . 1 1 12 12 ARG C C 13 178.8 0.05 . 1 . . . . . . . . 4995 1 119 . 1 1 12 12 ARG CA C 13 59.3 0.05 . 1 . . . . . . . . 4995 1 120 . 1 1 12 12 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 4995 1 121 . 1 1 12 12 ARG CG C 13 27.6 0.05 . 1 . . . . . . . . 4995 1 122 . 1 1 12 12 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . 4995 1 123 . 1 1 12 12 ARG N N 15 119.4 0.05 . 1 . . . . . . . . 4995 1 124 . 1 1 13 13 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 4995 1 125 . 1 1 13 13 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4995 1 126 . 1 1 13 13 LYS HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4995 1 127 . 1 1 13 13 LYS HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4995 1 128 . 1 1 13 13 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4995 1 129 . 1 1 13 13 LYS HG3 H 1 1.54 0.02 . 1 . . . . . . . . 4995 1 130 . 1 1 13 13 LYS HD2 H 1 1.76 0.02 . 1 . . . . . . . . 4995 1 131 . 1 1 13 13 LYS HD3 H 1 1.76 0.02 . 1 . . . . . . . . 4995 1 132 . 1 1 13 13 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4995 1 133 . 1 1 13 13 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4995 1 134 . 1 1 13 13 LYS C C 13 178.8 0.05 . 1 . . . . . . . . 4995 1 135 . 1 1 13 13 LYS CA C 13 58.8 0.05 . 1 . . . . . . . . 4995 1 136 . 1 1 13 13 LYS CB C 13 31.8 0.05 . 1 . . . . . . . . 4995 1 137 . 1 1 13 13 LYS CG C 13 24.6 0.05 . 1 . . . . . . . . 4995 1 138 . 1 1 13 13 LYS CD C 13 29.2 0.05 . 1 . . . . . . . . 4995 1 139 . 1 1 13 13 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 4995 1 140 . 1 1 13 13 LYS N N 15 121.9 0.05 . 1 . . . . . . . . 4995 1 141 . 1 1 14 14 ILE H H 1 8.38 0.02 . 1 . . . . . . . . 4995 1 142 . 1 1 14 14 ILE HA H 1 3.6 0.02 . 1 . . . . . . . . 4995 1 143 . 1 1 14 14 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4995 1 144 . 1 1 14 14 ILE HG12 H 1 1.81 0.02 . 2 . . . . . . . . 4995 1 145 . 1 1 14 14 ILE HG13 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 146 . 1 1 14 14 ILE HG21 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 147 . 1 1 14 14 ILE HG22 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 148 . 1 1 14 14 ILE HG23 H 1 0.9 0.02 . 1 . . . . . . . . 4995 1 149 . 1 1 14 14 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 150 . 1 1 14 14 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 151 . 1 1 14 14 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4995 1 152 . 1 1 14 14 ILE C C 13 177.1 0.05 . 1 . . . . . . . . 4995 1 153 . 1 1 14 14 ILE CA C 13 65.6 0.05 . 1 . . . . . . . . 4995 1 154 . 1 1 14 14 ILE CB C 13 37.4 0.05 . 1 . . . . . . . . 4995 1 155 . 1 1 14 14 ILE CG1 C 13 30.6 0.05 . 1 . . . . . . . . 4995 1 156 . 1 1 14 14 ILE CG2 C 13 16.3 0.05 . 1 . . . . . . . . 4995 1 157 . 1 1 14 14 ILE CD1 C 13 13.8 0.05 . 1 . . . . . . . . 4995 1 158 . 1 1 14 14 ILE N N 15 119.5 0.05 . 1 . . . . . . . . 4995 1 159 . 1 1 15 15 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4995 1 160 . 1 1 15 15 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4995 1 161 . 1 1 15 15 ARG HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4995 1 162 . 1 1 15 15 ARG HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 163 . 1 1 15 15 ARG HG2 H 1 1.83 0.02 . 2 . . . . . . . . 4995 1 164 . 1 1 15 15 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 165 . 1 1 15 15 ARG HD2 H 1 3.28 0.02 . 1 . . . . . . . . 4995 1 166 . 1 1 15 15 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 4995 1 167 . 1 1 15 15 ARG C C 13 179.1 0.05 . 1 . . . . . . . . 4995 1 168 . 1 1 15 15 ARG CA C 13 59.1 0.05 . 1 . . . . . . . . 4995 1 169 . 1 1 15 15 ARG CB C 13 29.6 0.05 . 1 . . . . . . . . 4995 1 170 . 1 1 15 15 ARG CG C 13 27.3 0.05 . 1 . . . . . . . . 4995 1 171 . 1 1 15 15 ARG CD C 13 43.1 0.05 . 1 . . . . . . . . 4995 1 172 . 1 1 15 15 ARG N N 15 119.1 0.05 . 1 . . . . . . . . 4995 1 173 . 1 1 16 16 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4995 1 174 . 1 1 16 16 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4995 1 175 . 1 1 16 16 SER HB2 H 1 4.08 0.02 . 1 . . . . . . . . 4995 1 176 . 1 1 16 16 SER HB3 H 1 4.08 0.02 . 1 . . . . . . . . 4995 1 177 . 1 1 16 16 SER C C 13 177.7 0.05 . 1 . . . . . . . . 4995 1 178 . 1 1 16 16 SER CA C 13 61.3 0.05 . 1 . . . . . . . . 4995 1 179 . 1 1 16 16 SER CB C 13 62.6 0.05 . 1 . . . . . . . . 4995 1 180 . 1 1 16 16 SER N N 15 114.3 0.05 . 1 . . . . . . . . 4995 1 181 . 1 1 17 17 LEU H H 1 8.4 0.02 . 1 . . . . . . . . 4995 1 182 . 1 1 17 17 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4995 1 183 . 1 1 17 17 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 184 . 1 1 17 17 LEU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 4995 1 185 . 1 1 17 17 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 186 . 1 1 17 17 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 187 . 1 1 17 17 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 188 . 1 1 17 17 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 4995 1 189 . 1 1 17 17 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 190 . 1 1 17 17 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 191 . 1 1 17 17 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 192 . 1 1 17 17 LEU C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 193 . 1 1 17 17 LEU CA C 13 57.7 0.05 . 1 . . . . . . . . 4995 1 194 . 1 1 17 17 LEU CB C 13 43.2 0.05 . 1 . . . . . . . . 4995 1 195 . 1 1 17 17 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 196 . 1 1 17 17 LEU CD1 C 13 27.4 0.05 . 2 . . . . . . . . 4995 1 197 . 1 1 17 17 LEU CD2 C 13 30.4 0.05 . 2 . . . . . . . . 4995 1 198 . 1 1 17 17 LEU N N 15 122.9 0.05 . 1 . . . . . . . . 4995 1 199 . 1 1 18 18 GLN H H 1 8.84 0.02 . 1 . . . . . . . . 4995 1 200 . 1 1 18 18 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 4995 1 201 . 1 1 18 18 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4995 1 202 . 1 1 18 18 GLN HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4995 1 203 . 1 1 18 18 GLN HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4995 1 204 . 1 1 18 18 GLN HG3 H 1 2.59 0.02 . 2 . . . . . . . . 4995 1 205 . 1 1 18 18 GLN HE21 H 1 6.89 0.02 . 2 . . . . . . . . 4995 1 206 . 1 1 18 18 GLN HE22 H 1 7.24 0.02 . 2 . . . . . . . . 4995 1 207 . 1 1 18 18 GLN C C 13 179.2 0.05 . 1 . . . . . . . . 4995 1 208 . 1 1 18 18 GLN CA C 13 59.2 0.05 . 1 . . . . . . . . 4995 1 209 . 1 1 18 18 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . 4995 1 210 . 1 1 18 18 GLN CG C 13 34.9 0.05 . 1 . . . . . . . . 4995 1 211 . 1 1 18 18 GLN N N 15 119.9 0.05 . 1 . . . . . . . . 4995 1 212 . 1 1 18 18 GLN NE2 N 15 111.7 0.05 . 1 . . . . . . . . 4995 1 213 . 1 1 19 19 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4995 1 214 . 1 1 19 19 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4995 1 215 . 1 1 19 19 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4995 1 216 . 1 1 19 19 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 217 . 1 1 19 19 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 4995 1 218 . 1 1 19 19 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 4995 1 219 . 1 1 19 19 GLU C C 13 179.5 0.05 . 1 . . . . . . . . 4995 1 220 . 1 1 19 19 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 4995 1 221 . 1 1 19 19 GLU CB C 13 29 0.05 . 1 . . . . . . . . 4995 1 222 . 1 1 19 19 GLU CG C 13 36.5 0.05 . 1 . . . . . . . . 4995 1 223 . 1 1 19 19 GLU N N 15 120.6 0.05 . 1 . . . . . . . . 4995 1 224 . 1 1 20 20 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 4995 1 225 . 1 1 20 20 GLN HA H 1 4.32 0.02 . 1 . . . . . . . . 4995 1 226 . 1 1 20 20 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4995 1 227 . 1 1 20 20 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4995 1 228 . 1 1 20 20 GLN HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4995 1 229 . 1 1 20 20 GLN HG3 H 1 2.64 0.02 . 2 . . . . . . . . 4995 1 230 . 1 1 20 20 GLN HE21 H 1 6.93 0.02 . 2 . . . . . . . . 4995 1 231 . 1 1 20 20 GLN HE22 H 1 7.48 0.02 . 2 . . . . . . . . 4995 1 232 . 1 1 20 20 GLN C C 13 178.4 0.05 . 1 . . . . . . . . 4995 1 233 . 1 1 20 20 GLN CA C 13 58.7 0.05 . 1 . . . . . . . . 4995 1 234 . 1 1 20 20 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . 4995 1 235 . 1 1 20 20 GLN CG C 13 33.5 0.05 . 1 . . . . . . . . 4995 1 236 . 1 1 20 20 GLN N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 237 . 1 1 20 20 GLN NE2 N 15 111.2 0.05 . 1 . . . . . . . . 4995 1 238 . 1 1 21 21 ASN H H 1 8.74 0.02 . 1 . . . . . . . . 4995 1 239 . 1 1 21 21 ASN HA H 1 4.41 0.02 . 1 . . . . . . . . 4995 1 240 . 1 1 21 21 ASN HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4995 1 241 . 1 1 21 21 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4995 1 242 . 1 1 21 21 ASN HD21 H 1 6.8 0.02 . 2 . . . . . . . . 4995 1 243 . 1 1 21 21 ASN HD22 H 1 7.64 0.02 . 2 . . . . . . . . 4995 1 244 . 1 1 21 21 ASN C C 13 176.7 0.05 . 1 . . . . . . . . 4995 1 245 . 1 1 21 21 ASN CA C 13 56.8 0.05 . 1 . . . . . . . . 4995 1 246 . 1 1 21 21 ASN CB C 13 38.3 0.05 . 1 . . . . . . . . 4995 1 247 . 1 1 21 21 ASN N N 15 120.3 0.05 . 1 . . . . . . . . 4995 1 248 . 1 1 21 21 ASN ND2 N 15 106.4 0.05 . 1 . . . . . . . . 4995 1 249 . 1 1 22 22 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 4995 1 250 . 1 1 22 22 TYR HA H 1 4.45 0.02 . 1 . . . . . . . . 4995 1 251 . 1 1 22 22 TYR HB2 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 252 . 1 1 22 22 TYR HB3 H 1 3.24 0.02 . 1 . . . . . . . . 4995 1 253 . 1 1 22 22 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 4995 1 254 . 1 1 22 22 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4995 1 255 . 1 1 22 22 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 4995 1 256 . 1 1 22 22 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 4995 1 257 . 1 1 22 22 TYR C C 13 178.2 0.05 . 1 . . . . . . . . 4995 1 258 . 1 1 22 22 TYR CA C 13 60.2 0.05 . 1 . . . . . . . . 4995 1 259 . 1 1 22 22 TYR CB C 13 37.8 0.05 . 1 . . . . . . . . 4995 1 260 . 1 1 22 22 TYR N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 261 . 1 1 23 23 HIS H H 1 7.94 0.02 . 1 . . . . . . . . 4995 1 262 . 1 1 23 23 HIS HA H 1 4.44 0.02 . 1 . . . . . . . . 4995 1 263 . 1 1 23 23 HIS HB2 H 1 3.4 0.02 . 1 . . . . . . . . 4995 1 264 . 1 1 23 23 HIS HB3 H 1 3.4 0.02 . 1 . . . . . . . . 4995 1 265 . 1 1 23 23 HIS HD2 H 1 7.14 0.02 . 1 . . . . . . . . 4995 1 266 . 1 1 23 23 HIS HE1 H 1 7.93 0.02 . 1 . . . . . . . . 4995 1 267 . 1 1 23 23 HIS C C 13 178.4 0.05 . 1 . . . . . . . . 4995 1 268 . 1 1 23 23 HIS CA C 13 58.9 0.05 . 1 . . . . . . . . 4995 1 269 . 1 1 23 23 HIS CB C 13 28.7 0.05 . 1 . . . . . . . . 4995 1 270 . 1 1 23 23 HIS N N 15 117.7 0.05 . 1 . . . . . . . . 4995 1 271 . 1 1 24 24 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 4995 1 272 . 1 1 24 24 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4995 1 273 . 1 1 24 24 LEU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4995 1 274 . 1 1 24 24 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 4995 1 275 . 1 1 24 24 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 4995 1 276 . 1 1 24 24 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 277 . 1 1 24 24 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 278 . 1 1 24 24 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 4995 1 279 . 1 1 24 24 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 280 . 1 1 24 24 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 281 . 1 1 24 24 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4995 1 282 . 1 1 24 24 LEU C C 13 178.9 0.05 . 1 . . . . . . . . 4995 1 283 . 1 1 24 24 LEU CA C 13 58 0.05 . 1 . . . . . . . . 4995 1 284 . 1 1 24 24 LEU CB C 13 43.4 0.05 . 1 . . . . . . . . 4995 1 285 . 1 1 24 24 LEU CG C 13 27 0.05 . 1 . . . . . . . . 4995 1 286 . 1 1 24 24 LEU CD1 C 13 26.5 0.05 . 2 . . . . . . . . 4995 1 287 . 1 1 24 24 LEU CD2 C 13 21.5 0.05 . 2 . . . . . . . . 4995 1 288 . 1 1 24 24 LEU N N 15 120.7 0.05 . 1 . . . . . . . . 4995 1 289 . 1 1 25 25 GLU H H 1 8.9 0.02 . 1 . . . . . . . . 4995 1 290 . 1 1 25 25 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4995 1 291 . 1 1 25 25 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4995 1 292 . 1 1 25 25 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 293 . 1 1 25 25 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 4995 1 294 . 1 1 25 25 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 4995 1 295 . 1 1 25 25 GLU C C 13 180.4 0.05 . 1 . . . . . . . . 4995 1 296 . 1 1 25 25 GLU CA C 13 59.7 0.05 . 1 . . . . . . . . 4995 1 297 . 1 1 25 25 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 4995 1 298 . 1 1 25 25 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 4995 1 299 . 1 1 25 25 GLU N N 15 119.8 0.05 . 1 . . . . . . . . 4995 1 300 . 1 1 26 26 ASN H H 1 7.85 0.02 . 1 . . . . . . . . 4995 1 301 . 1 1 26 26 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 302 . 1 1 26 26 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4995 1 303 . 1 1 26 26 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4995 1 304 . 1 1 26 26 ASN HD21 H 1 5.86 0.02 . 2 . . . . . . . . 4995 1 305 . 1 1 26 26 ASN HD22 H 1 7.51 0.02 . 2 . . . . . . . . 4995 1 306 . 1 1 26 26 ASN C C 13 178.1 0.05 . 1 . . . . . . . . 4995 1 307 . 1 1 26 26 ASN CA C 13 55.8 0.05 . 1 . . . . . . . . 4995 1 308 . 1 1 26 26 ASN CB C 13 37.5 0.05 . 1 . . . . . . . . 4995 1 309 . 1 1 26 26 ASN N N 15 119.2 0.05 . 1 . . . . . . . . 4995 1 310 . 1 1 26 26 ASN ND2 N 15 111.6 0.05 . 1 . . . . . . . . 4995 1 311 . 1 1 27 27 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4995 1 312 . 1 1 27 27 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 4995 1 313 . 1 1 27 27 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4995 1 314 . 1 1 27 27 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4995 1 315 . 1 1 27 27 GLU HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4995 1 316 . 1 1 27 27 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 4995 1 317 . 1 1 27 27 GLU C C 13 178.2 0.05 . 1 . . . . . . . . 4995 1 318 . 1 1 27 27 GLU CA C 13 58.4 0.05 . 1 . . . . . . . . 4995 1 319 . 1 1 27 27 GLU CB C 13 30 0.05 . 1 . . . . . . . . 4995 1 320 . 1 1 27 27 GLU CG C 13 35.7 0.05 . 1 . . . . . . . . 4995 1 321 . 1 1 27 27 GLU N N 15 124.1 0.05 . 1 . . . . . . . . 4995 1 322 . 1 1 28 28 VAL H H 1 8.77 0.02 . 1 . . . . . . . . 4995 1 323 . 1 1 28 28 VAL HA H 1 3.41 0.02 . 1 . . . . . . . . 4995 1 324 . 1 1 28 28 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 4995 1 325 . 1 1 28 28 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 326 . 1 1 28 28 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 327 . 1 1 28 28 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4995 1 328 . 1 1 28 28 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 329 . 1 1 28 28 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 330 . 1 1 28 28 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 4995 1 331 . 1 1 28 28 VAL C C 13 177.6 0.05 . 1 . . . . . . . . 4995 1 332 . 1 1 28 28 VAL CA C 13 67.6 0.05 . 1 . . . . . . . . 4995 1 333 . 1 1 28 28 VAL CB C 13 31.4 0.05 . 1 . . . . . . . . 4995 1 334 . 1 1 28 28 VAL CG1 C 13 23.1 0.05 . 2 . . . . . . . . 4995 1 335 . 1 1 28 28 VAL CG2 C 13 25.3 0.05 . 2 . . . . . . . . 4995 1 336 . 1 1 28 28 VAL N N 15 120.4 0.05 . 1 . . . . . . . . 4995 1 337 . 1 1 29 29 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 4995 1 338 . 1 1 29 29 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4995 1 339 . 1 1 29 29 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 340 . 1 1 29 29 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 341 . 1 1 29 29 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4995 1 342 . 1 1 29 29 ALA C C 13 180.5 0.05 . 1 . . . . . . . . 4995 1 343 . 1 1 29 29 ALA CA C 13 55 0.05 . 1 . . . . . . . . 4995 1 344 . 1 1 29 29 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 4995 1 345 . 1 1 29 29 ALA N N 15 119.9 0.05 . 1 . . . . . . . . 4995 1 346 . 1 1 30 30 ARG H H 1 8.06 0.02 . 1 . . . . . . . . 4995 1 347 . 1 1 30 30 ARG HA H 1 4 0.02 . 1 . . . . . . . . 4995 1 348 . 1 1 30 30 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4995 1 349 . 1 1 30 30 ARG HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4995 1 350 . 1 1 30 30 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4995 1 351 . 1 1 30 30 ARG HG3 H 1 1.36 0.02 . 2 . . . . . . . . 4995 1 352 . 1 1 30 30 ARG HD2 H 1 3.48 0.02 . 2 . . . . . . . . 4995 1 353 . 1 1 30 30 ARG HD3 H 1 3.01 0.02 . 2 . . . . . . . . 4995 1 354 . 1 1 30 30 ARG C C 13 179.7 0.05 . 1 . . . . . . . . 4995 1 355 . 1 1 30 30 ARG CA C 13 59 0.05 . 1 . . . . . . . . 4995 1 356 . 1 1 30 30 ARG CB C 13 30.6 0.05 . 1 . . . . . . . . 4995 1 357 . 1 1 30 30 ARG CG C 13 27.3 0.05 . 1 . . . . . . . . 4995 1 358 . 1 1 30 30 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 359 . 1 1 30 30 ARG N N 15 120.1 0.05 . 1 . . . . . . . . 4995 1 360 . 1 1 31 31 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4995 1 361 . 1 1 31 31 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4995 1 362 . 1 1 31 31 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4995 1 363 . 1 1 31 31 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4995 1 364 . 1 1 31 31 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4995 1 365 . 1 1 31 31 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 366 . 1 1 31 31 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 367 . 1 1 31 31 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4995 1 368 . 1 1 31 31 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 369 . 1 1 31 31 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 370 . 1 1 31 31 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 371 . 1 1 31 31 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 4995 1 372 . 1 1 31 31 LEU CA C 13 57.5 0.05 . 1 . . . . . . . . 4995 1 373 . 1 1 31 31 LEU CB C 13 43.7 0.05 . 1 . . . . . . . . 4995 1 374 . 1 1 31 31 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 375 . 1 1 31 31 LEU CD1 C 13 23.5 0.05 . 2 . . . . . . . . 4995 1 376 . 1 1 31 31 LEU CD2 C 13 27.5 0.05 . 2 . . . . . . . . 4995 1 377 . 1 1 31 31 LEU N N 15 121 0.05 . 1 . . . . . . . . 4995 1 378 . 1 1 32 32 LYS H H 1 9.1 0.02 . 1 . . . . . . . . 4995 1 379 . 1 1 32 32 LYS HA H 1 3.85 0.02 . 1 . . . . . . . . 4995 1 380 . 1 1 32 32 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 381 . 1 1 32 32 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 382 . 1 1 32 32 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 4995 1 383 . 1 1 32 32 LYS HG3 H 1 1.81 0.02 . 2 . . . . . . . . 4995 1 384 . 1 1 32 32 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 4995 1 385 . 1 1 32 32 LYS HD3 H 1 1.5 0.02 . 2 . . . . . . . . 4995 1 386 . 1 1 32 32 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 4995 1 387 . 1 1 32 32 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 4995 1 388 . 1 1 32 32 LYS C C 13 179.6 0.05 . 1 . . . . . . . . 4995 1 389 . 1 1 32 32 LYS CA C 13 60.8 0.05 . 1 . . . . . . . . 4995 1 390 . 1 1 32 32 LYS CB C 13 32.3 0.05 . 1 . . . . . . . . 4995 1 391 . 1 1 32 32 LYS CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 392 . 1 1 32 32 LYS CD C 13 29.6 0.05 . 1 . . . . . . . . 4995 1 393 . 1 1 32 32 LYS CE C 13 41.6 0.05 . 1 . . . . . . . . 4995 1 394 . 1 1 32 32 LYS N N 15 118.9 0.05 . 1 . . . . . . . . 4995 1 395 . 1 1 33 33 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4995 1 396 . 1 1 33 33 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4995 1 397 . 1 1 33 33 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4995 1 398 . 1 1 33 33 LYS HB3 H 1 2 0.02 . 2 . . . . . . . . 4995 1 399 . 1 1 33 33 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4995 1 400 . 1 1 33 33 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 4995 1 401 . 1 1 33 33 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 4995 1 402 . 1 1 33 33 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4995 1 403 . 1 1 33 33 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4995 1 404 . 1 1 33 33 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4995 1 405 . 1 1 33 33 LYS C C 13 179.2 0.05 . 1 . . . . . . . . 4995 1 406 . 1 1 33 33 LYS CA C 13 58.7 0.05 . 1 . . . . . . . . 4995 1 407 . 1 1 33 33 LYS CB C 13 32 0.05 . 1 . . . . . . . . 4995 1 408 . 1 1 33 33 LYS CG C 13 25.2 0.05 . 1 . . . . . . . . 4995 1 409 . 1 1 33 33 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 4995 1 410 . 1 1 33 33 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 4995 1 411 . 1 1 33 33 LYS N N 15 117.7 0.05 . 1 . . . . . . . . 4995 1 412 . 1 1 34 34 LEU H H 1 7.5 0.02 . 1 . . . . . . . . 4995 1 413 . 1 1 34 34 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4995 1 414 . 1 1 34 34 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4995 1 415 . 1 1 34 34 LEU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4995 1 416 . 1 1 34 34 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4995 1 417 . 1 1 34 34 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 418 . 1 1 34 34 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 419 . 1 1 34 34 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4995 1 420 . 1 1 34 34 LEU HD21 H 1 1 0.02 . 2 . . . . . . . . 4995 1 421 . 1 1 34 34 LEU HD22 H 1 1 0.02 . 2 . . . . . . . . 4995 1 422 . 1 1 34 34 LEU HD23 H 1 1 0.02 . 2 . . . . . . . . 4995 1 423 . 1 1 34 34 LEU C C 13 179.3 0.05 . 1 . . . . . . . . 4995 1 424 . 1 1 34 34 LEU CA C 13 57.1 0.05 . 1 . . . . . . . . 4995 1 425 . 1 1 34 34 LEU CB C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 426 . 1 1 34 34 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 4995 1 427 . 1 1 34 34 LEU CD1 C 13 22.9 0.05 . 2 . . . . . . . . 4995 1 428 . 1 1 34 34 LEU CD2 C 13 25.2 0.05 . 2 . . . . . . . . 4995 1 429 . 1 1 34 34 LEU N N 15 118.9 0.05 . 1 . . . . . . . . 4995 1 430 . 1 1 35 35 VAL H H 1 7.85 0.02 . 1 . . . . . . . . 4995 1 431 . 1 1 35 35 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4995 1 432 . 1 1 35 35 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4995 1 433 . 1 1 35 35 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 434 . 1 1 35 35 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 435 . 1 1 35 35 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4995 1 436 . 1 1 35 35 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 437 . 1 1 35 35 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 438 . 1 1 35 35 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 4995 1 439 . 1 1 35 35 VAL C C 13 176.9 0.05 . 1 . . . . . . . . 4995 1 440 . 1 1 35 35 VAL CA C 13 62.7 0.05 . 1 . . . . . . . . 4995 1 441 . 1 1 35 35 VAL CB C 13 32.1 0.05 . 1 . . . . . . . . 4995 1 442 . 1 1 35 35 VAL CG1 C 13 21.6 0.05 . 1 . . . . . . . . 4995 1 443 . 1 1 35 35 VAL CG2 C 13 21.6 0.05 . 1 . . . . . . . . 4995 1 444 . 1 1 35 35 VAL N N 15 113.9 0.05 . 1 . . . . . . . . 4995 1 445 . 1 1 36 36 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4995 1 446 . 1 1 36 36 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4995 1 447 . 1 1 36 36 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 4995 1 448 . 1 1 36 36 GLY C C 13 174.7 0.05 . 1 . . . . . . . . 4995 1 449 . 1 1 36 36 GLY CA C 13 45.5 0.05 . 1 . . . . . . . . 4995 1 450 . 1 1 36 36 GLY N N 15 109.2 0.05 . 1 . . . . . . . . 4995 1 451 . 1 1 37 37 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4995 1 452 . 1 1 37 37 GLU HA H 1 4.4 0.02 . 1 . . . . . . . . 4995 1 453 . 1 1 37 37 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4995 1 454 . 1 1 37 37 GLU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4995 1 455 . 1 1 37 37 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 4995 1 456 . 1 1 37 37 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 4995 1 457 . 1 1 37 37 GLU C C 13 175.5 0.05 . 1 . . . . . . . . 4995 1 458 . 1 1 37 37 GLU CA C 13 55.9 0.05 . 1 . . . . . . . . 4995 1 459 . 1 1 37 37 GLU CB C 13 31.2 0.05 . 1 . . . . . . . . 4995 1 460 . 1 1 37 37 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 4995 1 461 . 1 1 37 37 GLU N N 15 120.8 0.05 . 1 . . . . . . . . 4995 1 462 . 1 1 38 38 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 4995 1 463 . 1 1 38 38 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 4995 1 464 . 1 1 38 38 ARG HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4995 1 465 . 1 1 38 38 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4995 1 466 . 1 1 38 38 ARG HG2 H 1 1.34 0.02 . 2 . . . . . . . . 4995 1 467 . 1 1 38 38 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 4995 1 468 . 1 1 38 38 ARG HD2 H 1 3.22 0.02 . 2 . . . . . . . . 4995 1 469 . 1 1 38 38 ARG HD3 H 1 2.94 0.02 . 2 . . . . . . . . 4995 1 470 . 1 1 38 38 ARG C C 13 181.2 0.05 . 1 . . . . . . . . 4995 1 471 . 1 1 38 38 ARG CA C 13 57.2 0.05 . 1 . . . . . . . . 4995 1 472 . 1 1 38 38 ARG CB C 13 31.2 0.05 . 1 . . . . . . . . 4995 1 473 . 1 1 38 38 ARG CG C 13 27.4 0.05 . 1 . . . . . . . . 4995 1 474 . 1 1 38 38 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . 4995 1 475 . 1 1 38 38 ARG N N 15 127.5 0.05 . 1 . . . . . . . . 4995 1 stop_ save_