################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond._set_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 . . 1 $sample_1 . 5406 1 . . 2 $sample_2 . 5406 1 . . 3 $sample_3 . 5406 1 . . 4 $sample_4 . 5406 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 3.48 0.01 . 2 . . . . . . . . 5406 1 2 . 1 1 1 1 GLY HA3 H 1 3.898 0.01 . 2 . . . . . . . . 5406 1 3 . 1 1 1 1 GLY CA C 13 43.429 0.1 . 1 . . . . . . . . 5406 1 4 . 1 1 2 2 ASP H H 1 9.636 0.01 . 1 . . . . . . . . 5406 1 5 . 1 1 2 2 ASP HA H 1 4.878 0.01 . 1 . . . . . . . . 5406 1 6 . 1 1 2 2 ASP HB2 H 1 2.493 0.01 . 2 . . . . . . . . 5406 1 7 . 1 1 2 2 ASP HB3 H 1 2.853 0.01 . 2 . . . . . . . . 5406 1 8 . 1 1 2 2 ASP CA C 13 53.458 0.1 . 1 . . . . . . . . 5406 1 9 . 1 1 2 2 ASP CB C 13 43.063 0.1 . 1 . . . . . . . . 5406 1 10 . 1 1 2 2 ASP N N 15 124.654 0.1 . 1 . . . . . . . . 5406 1 11 . 1 1 3 3 VAL H H 1 8.633 0.01 . 1 . . . . . . . . 5406 1 12 . 1 1 3 3 VAL HA H 1 3.676 0.01 . 1 . . . . . . . . 5406 1 13 . 1 1 3 3 VAL HB H 1 2.215 0.01 . 1 . . . . . . . . 5406 1 14 . 1 1 3 3 VAL HG11 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 15 . 1 1 3 3 VAL HG12 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 16 . 1 1 3 3 VAL HG13 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 17 . 1 1 3 3 VAL HG21 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 18 . 1 1 3 3 VAL HG22 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 19 . 1 1 3 3 VAL HG23 H 1 1.078 0.01 . 1 . . . . . . . . 5406 1 20 . 1 1 3 3 VAL CA C 13 66.487 0.1 . 1 . . . . . . . . 5406 1 21 . 1 1 3 3 VAL CB C 13 32.523 0.1 . 1 . . . . . . . . 5406 1 22 . 1 1 3 3 VAL N N 15 123.504 0.1 . 1 . . . . . . . . 5406 1 23 . 1 1 4 4 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5406 1 24 . 1 1 4 4 GLU HA H 1 4.129 0.01 . 1 . . . . . . . . 5406 1 25 . 1 1 4 4 GLU HB2 H 1 2.126 0.01 . 2 . . . . . . . . 5406 1 26 . 1 1 4 4 GLU HB3 H 1 2.156 0.01 . 2 . . . . . . . . 5406 1 27 . 1 1 4 4 GLU HG2 H 1 2.327 0.01 . 1 . . . . . . . . 5406 1 28 . 1 1 4 4 GLU HG3 H 1 2.327 0.01 . 1 . . . . . . . . 5406 1 29 . 1 1 4 4 GLU CA C 13 59.533 0.1 . 1 . . . . . . . . 5406 1 30 . 1 1 4 4 GLU CB C 13 29.083 0.1 . 1 . . . . . . . . 5406 1 31 . 1 1 4 4 GLU N N 15 120.349 0.1 . 1 . . . . . . . . 5406 1 32 . 1 1 5 5 LYS H H 1 8.165 0.01 . 1 . . . . . . . . 5406 1 33 . 1 1 5 5 LYS HA H 1 4.027 0.01 . 1 . . . . . . . . 5406 1 34 . 1 1 5 5 LYS HB2 H 1 1.827 0.01 . 1 . . . . . . . . 5406 1 35 . 1 1 5 5 LYS HB3 H 1 1.827 0.01 . 1 . . . . . . . . 5406 1 36 . 1 1 5 5 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 5406 1 37 . 1 1 5 5 LYS HG3 H 1 1.568 0.01 . 2 . . . . . . . . 5406 1 38 . 1 1 5 5 LYS HD2 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 39 . 1 1 5 5 LYS HD3 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 40 . 1 1 5 5 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5406 1 41 . 1 1 5 5 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5406 1 42 . 1 1 5 5 LYS CA C 13 60.045 0.1 . 1 . . . . . . . . 5406 1 43 . 1 1 5 5 LYS CB C 13 33.035 0.1 . 1 . . . . . . . . 5406 1 44 . 1 1 5 5 LYS N N 15 120.939 0.1 . 1 . . . . . . . . 5406 1 45 . 1 1 6 6 GLY H H 1 8.809 0.01 . 1 . . . . . . . . 5406 1 46 . 1 1 6 6 GLY HA2 H 1 3.593 0.01 . 2 . . . . . . . . 5406 1 47 . 1 1 6 6 GLY HA3 H 1 4.212 0.01 . 2 . . . . . . . . 5406 1 48 . 1 1 6 6 GLY CA C 13 47.163 0.1 . 1 . . . . . . . . 5406 1 49 . 1 1 6 6 GLY N N 15 106.968 0.1 . 1 . . . . . . . . 5406 1 50 . 1 1 7 7 LYS H H 1 8.114 0.01 . 1 . . . . . . . . 5406 1 51 . 1 1 7 7 LYS HA H 1 2.299 0.01 . 1 . . . . . . . . 5406 1 52 . 1 1 7 7 LYS HB2 H 1 1.439 0.01 . 2 . . . . . . . . 5406 1 53 . 1 1 7 7 LYS HB3 H 1 1.799 0.01 . 2 . . . . . . . . 5406 1 54 . 1 1 7 7 LYS HG2 H 1 1.615 0.01 . 1 . . . . . . . . 5406 1 55 . 1 1 7 7 LYS HG3 H 1 1.615 0.01 . 1 . . . . . . . . 5406 1 56 . 1 1 7 7 LYS HD2 H 1 0.875 0.01 . 1 . . . . . . . . 5406 1 57 . 1 1 7 7 LYS HD3 H 1 0.875 0.01 . 1 . . . . . . . . 5406 1 58 . 1 1 7 7 LYS HE2 H 1 2.899 0.01 . 1 . . . . . . . . 5406 1 59 . 1 1 7 7 LYS HE3 H 1 2.899 0.01 . 1 . . . . . . . . 5406 1 60 . 1 1 7 7 LYS CA C 13 59.606 0.1 . 1 . . . . . . . . 5406 1 61 . 1 1 7 7 LYS CB C 13 32.596 0.1 . 1 . . . . . . . . 5406 1 62 . 1 1 7 7 LYS N N 15 123.908 0.1 . 1 . . . . . . . . 5406 1 63 . 1 1 8 8 LYS H H 1 7.046 0.01 . 1 . . . . . . . . 5406 1 64 . 1 1 8 8 LYS HA H 1 3.926 0.01 . 1 . . . . . . . . 5406 1 65 . 1 1 8 8 LYS HB2 H 1 1.984 0.01 . 1 . . . . . . . . 5406 1 66 . 1 1 8 8 LYS HB3 H 1 1.984 0.01 . 1 . . . . . . . . 5406 1 67 . 1 1 8 8 LYS HG2 H 1 1.466 0.01 . 2 . . . . . . . . 5406 1 68 . 1 1 8 8 LYS HG3 H 1 1.642 0.01 . 2 . . . . . . . . 5406 1 69 . 1 1 8 8 LYS HD2 H 1 1.725 0.01 . 1 . . . . . . . . 5406 1 70 . 1 1 8 8 LYS HD3 H 1 1.725 0.01 . 1 . . . . . . . . 5406 1 71 . 1 1 8 8 LYS HE2 H 1 2.999 0.01 . 1 . . . . . . . . 5406 1 72 . 1 1 8 8 LYS HE3 H 1 2.999 0.01 . 1 . . . . . . . . 5406 1 73 . 1 1 8 8 LYS CA C 13 59.972 0.1 . 1 . . . . . . . . 5406 1 74 . 1 1 8 8 LYS CB C 13 32.303 0.1 . 1 . . . . . . . . 5406 1 75 . 1 1 8 8 LYS N N 15 116.883 0.1 . 1 . . . . . . . . 5406 1 76 . 1 1 9 9 ILE H H 1 7.814 0.01 . 1 . . . . . . . . 5406 1 77 . 1 1 9 9 ILE HA H 1 3.833 0.01 . 1 . . . . . . . . 5406 1 78 . 1 1 9 9 ILE HB H 1 2.123 0.01 . 1 . . . . . . . . 5406 1 79 . 1 1 9 9 ILE HG12 H 1 1.291 0.01 . 1 . . . . . . . . 5406 1 80 . 1 1 9 9 ILE HG13 H 1 1.291 0.01 . 1 . . . . . . . . 5406 1 81 . 1 1 9 9 ILE HG21 H 1 1.171 0.01 . 1 . . . . . . . . 5406 1 82 . 1 1 9 9 ILE HG22 H 1 1.171 0.01 . 1 . . . . . . . . 5406 1 83 . 1 1 9 9 ILE HG23 H 1 1.171 0.01 . 1 . . . . . . . . 5406 1 84 . 1 1 9 9 ILE HD11 H 1 0.429 0.01 . 1 . . . . . . . . 5406 1 85 . 1 1 9 9 ILE HD12 H 1 0.429 0.01 . 1 . . . . . . . . 5406 1 86 . 1 1 9 9 ILE HD13 H 1 0.429 0.01 . 1 . . . . . . . . 5406 1 87 . 1 1 9 9 ILE CA C 13 65.682 0.1 . 1 . . . . . . . . 5406 1 88 . 1 1 9 9 ILE CB C 13 38.159 0.1 . 1 . . . . . . . . 5406 1 89 . 1 1 9 9 ILE N N 15 119.137 0.1 . 1 . . . . . . . . 5406 1 90 . 1 1 10 10 PHE H H 1 8.758 0.01 . 1 . . . . . . . . 5406 1 91 . 1 1 10 10 PHE HA H 1 4.074 0.01 . 1 . . . . . . . . 5406 1 92 . 1 1 10 10 PHE HB2 H 1 3.01 0.01 . 2 . . . . . . . . 5406 1 93 . 1 1 10 10 PHE HB3 H 1 3.131 0.01 . 2 . . . . . . . . 5406 1 94 . 1 1 10 10 PHE HD1 H 1 7.171 0.01 . 1 . . . . . . . . 5406 1 95 . 1 1 10 10 PHE HD2 H 1 7.171 0.01 . 1 . . . . . . . . 5406 1 96 . 1 1 10 10 PHE HE1 H 1 6.144 0.01 . 3 . . . . . . . . 5406 1 97 . 1 1 10 10 PHE HE2 H 1 7.069 0.01 . 3 . . . . . . . . 5406 1 98 . 1 1 10 10 PHE HZ H 1 6.246 0.01 . 1 . . . . . . . . 5406 1 99 . 1 1 10 10 PHE CA C 13 62.681 0.1 . 1 . . . . . . . . 5406 1 100 . 1 1 10 10 PHE CB C 13 39.989 0.1 . 1 . . . . . . . . 5406 1 101 . 1 1 10 10 PHE N N 15 120.908 0.1 . 1 . . . . . . . . 5406 1 102 . 1 1 11 11 ILE H H 1 8.941 0.01 . 1 . . . . . . . . 5406 1 103 . 1 1 11 11 ILE HA H 1 3.436 0.01 . 1 . . . . . . . . 5406 1 104 . 1 1 11 11 ILE HB H 1 1.994 0.01 . 1 . . . . . . . . 5406 1 105 . 1 1 11 11 ILE HG12 H 1 1.319 0.01 . 2 . . . . . . . . 5406 1 106 . 1 1 11 11 ILE HG13 H 1 1.853 0.01 . 2 . . . . . . . . 5406 1 107 . 1 1 11 11 ILE HG21 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 108 . 1 1 11 11 ILE HG22 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 109 . 1 1 11 11 ILE HG23 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 110 . 1 1 11 11 ILE HD11 H 1 1.039 0.01 . 1 . . . . . . . . 5406 1 111 . 1 1 11 11 ILE HD12 H 1 1.039 0.01 . 1 . . . . . . . . 5406 1 112 . 1 1 11 11 ILE HD13 H 1 1.039 0.01 . 1 . . . . . . . . 5406 1 113 . 1 1 11 11 ILE CA C 13 66.048 0.1 . 1 . . . . . . . . 5406 1 114 . 1 1 11 11 ILE CB C 13 38.159 0.1 . 1 . . . . . . . . 5406 1 115 . 1 1 11 11 ILE N N 15 121.048 0.1 . 1 . . . . . . . . 5406 1 116 . 1 1 12 12 MET H H 1 8.187 0.01 . 1 . . . . . . . . 5406 1 117 . 1 1 12 12 MET HA H 1 4.323 0.01 . 1 . . . . . . . . 5406 1 118 . 1 1 12 12 MET HB2 H 1 2.287 0.01 . 2 . . . . . . . . 5406 1 119 . 1 1 12 12 MET HB3 H 1 2.363 0.01 . 2 . . . . . . . . 5406 1 120 . 1 1 12 12 MET HG2 H 1 2.696 0.01 . 2 . . . . . . . . 5406 1 121 . 1 1 12 12 MET HG3 H 1 2.853 0.01 . 2 . . . . . . . . 5406 1 122 . 1 1 12 12 MET HE1 H 1 2.123 0.01 . 1 . . . . . . . . 5406 1 123 . 1 1 12 12 MET HE2 H 1 2.123 0.01 . 1 . . . . . . . . 5406 1 124 . 1 1 12 12 MET HE3 H 1 2.123 0.01 . 1 . . . . . . . . 5406 1 125 . 1 1 12 12 MET CA C 13 59.021 0.1 . 1 . . . . . . . . 5406 1 126 . 1 1 12 12 MET CB C 13 34.28 0.1 . 1 . . . . . . . . 5406 1 127 . 1 1 12 12 MET N N 15 117.334 0.1 . 1 . . . . . . . . 5406 1 128 . 1 1 13 13 LYS H H 1 9.109 0.01 . 1 . . . . . . . . 5406 1 129 . 1 1 13 13 LYS HA H 1 5.063 0.01 . 1 . . . . . . . . 5406 1 130 . 1 1 13 13 LYS HB2 H 1 2.326 0.01 . 2 . . . . . . . . 5406 1 131 . 1 1 13 13 LYS HB3 H 1 2.511 0.01 . 2 . . . . . . . . 5406 1 132 . 1 1 13 13 LYS HG2 H 1 1.799 0.01 . 2 . . . . . . . . 5406 1 133 . 1 1 13 13 LYS HG3 H 1 1.91 0.01 . 2 . . . . . . . . 5406 1 134 . 1 1 13 13 LYS HD2 H 1 2.04 0.01 . 1 . . . . . . . . 5406 1 135 . 1 1 13 13 LYS HD3 H 1 2.04 0.01 . 1 . . . . . . . . 5406 1 136 . 1 1 13 13 LYS HE2 H 1 3.196 0.01 . 1 . . . . . . . . 5406 1 137 . 1 1 13 13 LYS HE3 H 1 3.196 0.01 . 1 . . . . . . . . 5406 1 138 . 1 1 13 13 LYS CA C 13 57.923 0.1 . 1 . . . . . . . . 5406 1 139 . 1 1 13 13 LYS CB C 13 35.744 0.1 . 1 . . . . . . . . 5406 1 140 . 1 1 13 13 LYS N N 15 113.433 0.1 . 1 . . . . . . . . 5406 1 141 . 1 1 14 14 CYS H H 1 8.253 0.01 . 1 . . . . . . . . 5406 1 142 . 1 1 14 14 CYS HA H 1 5.433 0.01 . 1 . . . . . . . . 5406 1 143 . 1 1 14 14 CYS HB2 H 1 1.226 0.01 . 2 . . . . . . . . 5406 1 144 . 1 1 14 14 CYS HB3 H 1 1.901 0.01 . 2 . . . . . . . . 5406 1 145 . 1 1 14 14 CYS CA C 13 54.775 0.1 . 1 . . . . . . . . 5406 1 146 . 1 1 14 14 CYS CB C 13 37.5 0.1 . 1 . . . . . . . . 5406 1 147 . 1 1 14 14 CYS N N 15 115.111 0.1 . 1 . . . . . . . . 5406 1 148 . 1 1 15 15 SER H H 1 7.441 0.01 . 1 . . . . . . . . 5406 1 149 . 1 1 15 15 SER HA H 1 3.889 0.01 . 1 . . . . . . . . 5406 1 150 . 1 1 15 15 SER HB2 H 1 3.722 0.01 . 2 . . . . . . . . 5406 1 151 . 1 1 15 15 SER HB3 H 1 3.975 0.01 . 2 . . . . . . . . 5406 1 152 . 1 1 15 15 SER CA C 13 61.217 0.1 . 1 . . . . . . . . 5406 1 153 . 1 1 15 15 SER CB C 13 63.047 0.1 . 1 . . . . . . . . 5406 1 154 . 1 1 15 15 SER N N 15 114.443 0.1 . 1 . . . . . . . . 5406 1 155 . 1 1 16 16 GLN H H 1 9.014 0.01 . 1 . . . . . . . . 5406 1 156 . 1 1 16 16 GLN HA H 1 4.046 0.01 . 1 . . . . . . . . 5406 1 157 . 1 1 16 16 GLN HB2 H 1 2.068 0.01 . 2 . . . . . . . . 5406 1 158 . 1 1 16 16 GLN HB3 H 1 2.317 0.01 . 2 . . . . . . . . 5406 1 159 . 1 1 16 16 GLN HG2 H 1 2.576 0.01 . 2 . . . . . . . . 5406 1 160 . 1 1 16 16 GLN HG3 H 1 2.724 0.01 . 2 . . . . . . . . 5406 1 161 . 1 1 16 16 GLN HE21 H 1 7.041 0.01 . 2 . . . . . . . . 5406 1 162 . 1 1 16 16 GLN HE22 H 1 7.642 0.01 . 2 . . . . . . . . 5406 1 163 . 1 1 16 16 GLN CA C 13 58.508 0.1 . 1 . . . . . . . . 5406 1 164 . 1 1 16 16 GLN CB C 13 28.424 0.1 . 1 . . . . . . . . 5406 1 165 . 1 1 16 16 GLN N N 15 120.582 0.1 . 1 . . . . . . . . 5406 1 166 . 1 1 16 16 GLN NE2 N 15 111.304 0.1 . 1 . . . . . . . . 5406 1 167 . 1 1 17 17 CYS H H 1 6.936 0.01 . 1 . . . . . . . . 5406 1 168 . 1 1 17 17 CYS HA H 1 4.212 0.01 . 1 . . . . . . . . 5406 1 169 . 1 1 17 17 CYS HB2 H 1 0.579 0.01 . 2 . . . . . . . . 5406 1 170 . 1 1 17 17 CYS HB3 H 1 1.559 0.01 . 2 . . . . . . . . 5406 1 171 . 1 1 17 17 CYS CA C 13 54.629 0.1 . 1 . . . . . . . . 5406 1 172 . 1 1 17 17 CYS CB C 13 38.818 0.1 . 1 . . . . . . . . 5406 1 173 . 1 1 17 17 CYS N N 15 112.671 0.1 . 1 . . . . . . . . 5406 1 174 . 1 1 18 18 HIS H H 1 6.358 0.01 . 1 . . . . . . . . 5406 1 175 . 1 1 18 18 HIS HA H 1 3.695 0.01 . 1 . . . . . . . . 5406 1 176 . 1 1 18 18 HIS HB2 H 1 0.782 0.01 . 2 . . . . . . . . 5406 1 177 . 1 1 18 18 HIS HB3 H 1 1.106 0.01 . 2 . . . . . . . . 5406 1 178 . 1 1 18 18 HIS HD1 H 1 9.676 0.01 . 1 . . . . . . . . 5406 1 179 . 1 1 18 18 HIS HD2 H 1 0.135 0.01 . 1 . . . . . . . . 5406 1 180 . 1 1 18 18 HIS HE1 H 1 0.514 0.01 . 1 . . . . . . . . 5406 1 181 . 1 1 18 18 HIS CA C 13 54.19 0.1 . 1 . . . . . . . . 5406 1 182 . 1 1 18 18 HIS CB C 13 32.45 0.1 . 1 . . . . . . . . 5406 1 183 . 1 1 18 18 HIS N N 15 113.697 0.1 . 1 . . . . . . . . 5406 1 184 . 1 1 19 19 THR H H 1 7.69 0.01 . 1 . . . . . . . . 5406 1 185 . 1 1 19 19 THR HA H 1 4.536 0.01 . 1 . . . . . . . . 5406 1 186 . 1 1 19 19 THR HB H 1 4.471 0.01 . 1 . . . . . . . . 5406 1 187 . 1 1 19 19 THR HG21 H 1 1.097 0.01 . 1 . . . . . . . . 5406 1 188 . 1 1 19 19 THR HG22 H 1 1.097 0.01 . 1 . . . . . . . . 5406 1 189 . 1 1 19 19 THR HG23 H 1 1.097 0.01 . 1 . . . . . . . . 5406 1 190 . 1 1 19 19 THR CA C 13 59.094 0.1 . 1 . . . . . . . . 5406 1 191 . 1 1 19 19 THR CB C 13 71.757 0.1 . 1 . . . . . . . . 5406 1 192 . 1 1 19 19 THR N N 15 109.206 0.1 . 1 . . . . . . . . 5406 1 193 . 1 1 20 20 VAL H H 1 7.77 0.01 . 1 . . . . . . . . 5406 1 194 . 1 1 20 20 VAL HA H 1 3.907 0.01 . 1 . . . . . . . . 5406 1 195 . 1 1 20 20 VAL HB H 1 1.531 0.01 . 1 . . . . . . . . 5406 1 196 . 1 1 20 20 VAL HG11 H 1 -0.003 0.01 . 2 . . . . . . . . 5406 1 197 . 1 1 20 20 VAL HG12 H 1 -0.003 0.01 . 2 . . . . . . . . 5406 1 198 . 1 1 20 20 VAL HG13 H 1 -0.003 0.01 . 2 . . . . . . . . 5406 1 199 . 1 1 20 20 VAL HG21 H 1 0.403 0.01 . 2 . . . . . . . . 5406 1 200 . 1 1 20 20 VAL HG22 H 1 0.403 0.01 . 2 . . . . . . . . 5406 1 201 . 1 1 20 20 VAL HG23 H 1 0.403 0.01 . 2 . . . . . . . . 5406 1 202 . 1 1 20 20 VAL CA C 13 61.29 0.1 . 1 . . . . . . . . 5406 1 203 . 1 1 20 20 VAL CB C 13 34.06 0.1 . 1 . . . . . . . . 5406 1 204 . 1 1 20 20 VAL N N 15 110.138 0.1 . 1 . . . . . . . . 5406 1 205 . 1 1 21 21 GLU HA H 1 4.234 0.01 . 1 . . . . . . . . 5406 1 206 . 1 1 21 21 GLU HB2 H 1 1.855 0.01 . 1 . . . . . . . . 5406 1 207 . 1 1 21 21 GLU HB3 H 1 1.855 0.01 . 1 . . . . . . . . 5406 1 208 . 1 1 21 21 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 5406 1 209 . 1 1 21 21 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 5406 1 210 . 1 1 21 21 GLU CA C 13 56.752 0.1 . 1 . . . . . . . . 5406 1 211 . 1 1 21 21 GLU CB C 13 29.815 0.1 . 1 . . . . . . . . 5406 1 212 . 1 1 22 22 LYS H H 1 8.78 0.01 . 1 . . . . . . . . 5406 1 213 . 1 1 22 22 LYS HA H 1 3.148 0.01 . 1 . . . . . . . . 5406 1 214 . 1 1 22 22 LYS HB2 H 1 0.533 0.01 . 2 . . . . . . . . 5406 1 215 . 1 1 22 22 LYS HB3 H 1 1.328 0.01 . 2 . . . . . . . . 5406 1 216 . 1 1 22 22 LYS HG2 H 1 0.855 0.01 . 1 . . . . . . . . 5406 1 217 . 1 1 22 22 LYS HG3 H 1 0.855 0.01 . 1 . . . . . . . . 5406 1 218 . 1 1 22 22 LYS HD2 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 219 . 1 1 22 22 LYS HD3 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 220 . 1 1 22 22 LYS HE2 H 1 2.853 0.01 . 1 . . . . . . . . 5406 1 221 . 1 1 22 22 LYS HE3 H 1 2.853 0.01 . 1 . . . . . . . . 5406 1 222 . 1 1 22 22 LYS CA C 13 58.289 0.1 . 1 . . . . . . . . 5406 1 223 . 1 1 22 22 LYS CB C 13 31.571 0.1 . 1 . . . . . . . . 5406 1 224 . 1 1 22 22 LYS N N 15 126.052 0.1 . 1 . . . . . . . . 5406 1 225 . 1 1 23 23 GLY H H 1 9.16 0.01 . 1 . . . . . . . . 5406 1 226 . 1 1 23 23 GLY HA2 H 1 3.547 0.01 . 2 . . . . . . . . 5406 1 227 . 1 1 23 23 GLY HA3 H 1 3.861 0.01 . 2 . . . . . . . . 5406 1 228 . 1 1 23 23 GLY CA C 13 45.406 0.1 . 1 . . . . . . . . 5406 1 229 . 1 1 23 23 GLY N N 15 117.256 0.1 . 1 . . . . . . . . 5406 1 230 . 1 1 24 24 GLY H H 1 7.848 0.01 . 1 . . . . . . . . 5406 1 231 . 1 1 24 24 GLY HA2 H 1 3.131 0.01 . 2 . . . . . . . . 5406 1 232 . 1 1 24 24 GLY HA3 H 1 3.815 0.01 . 2 . . . . . . . . 5406 1 233 . 1 1 24 24 GLY CA C 13 44.82 0.1 . 1 . . . . . . . . 5406 1 234 . 1 1 24 24 GLY N N 15 107.185 0.1 . 1 . . . . . . . . 5406 1 235 . 1 1 25 25 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 5406 1 236 . 1 1 25 25 LYS HA H 1 3.907 0.01 . 1 . . . . . . . . 5406 1 237 . 1 1 25 25 LYS HB2 H 1 1.513 0.01 . 2 . . . . . . . . 5406 1 238 . 1 1 25 25 LYS HB3 H 1 1.725 0.01 . 2 . . . . . . . . 5406 1 239 . 1 1 25 25 LYS HG2 H 1 1.254 0.01 . 1 . . . . . . . . 5406 1 240 . 1 1 25 25 LYS HG3 H 1 1.254 0.01 . 1 . . . . . . . . 5406 1 241 . 1 1 25 25 LYS HD2 H 1 1.328 0.01 . 1 . . . . . . . . 5406 1 242 . 1 1 25 25 LYS HD3 H 1 1.328 0.01 . 1 . . . . . . . . 5406 1 243 . 1 1 25 25 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5406 1 244 . 1 1 25 25 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5406 1 245 . 1 1 25 25 LYS CA C 13 56.02 0.1 . 1 . . . . . . . . 5406 1 246 . 1 1 25 25 LYS CB C 13 33.474 0.1 . 1 . . . . . . . . 5406 1 247 . 1 1 25 25 LYS N N 15 118.36 0.1 . 1 . . . . . . . . 5406 1 248 . 1 1 26 26 HIS H H 1 8.458 0.01 . 1 . . . . . . . . 5406 1 249 . 1 1 26 26 HIS HA H 1 4.462 0.01 . 1 . . . . . . . . 5406 1 250 . 1 1 26 26 HIS HB2 H 1 2.851 0.01 . 2 . . . . . . . . 5406 1 251 . 1 1 26 26 HIS HB3 H 1 3.092 0.01 . 2 . . . . . . . . 5406 1 252 . 1 1 26 26 HIS HD1 H 1 7.03 0.01 . 1 . . . . . . . . 5406 1 253 . 1 1 26 26 HIS HD2 H 1 7.501 0.01 . 1 . . . . . . . . 5406 1 254 . 1 1 26 26 HIS HE1 H 1 6.993 0.01 . 1 . . . . . . . . 5406 1 255 . 1 1 26 26 HIS CA C 13 56.166 0.1 . 1 . . . . . . . . 5406 1 256 . 1 1 26 26 HIS CB C 13 31.059 0.1 . 1 . . . . . . . . 5406 1 257 . 1 1 26 26 HIS N N 15 121.421 0.1 . 1 . . . . . . . . 5406 1 258 . 1 1 27 27 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 5406 1 259 . 1 1 27 27 LYS HA H 1 4.481 0.01 . 1 . . . . . . . . 5406 1 260 . 1 1 27 27 LYS HB2 H 1 1.069 0.01 . 2 . . . . . . . . 5406 1 261 . 1 1 27 27 LYS HB3 H 1 1.836 0.01 . 2 . . . . . . . . 5406 1 262 . 1 1 27 27 LYS HG2 H 1 2.511 0.01 . 1 . . . . . . . . 5406 1 263 . 1 1 27 27 LYS HG3 H 1 2.511 0.01 . 1 . . . . . . . . 5406 1 264 . 1 1 27 27 LYS HD2 H 1 1.383 0.01 . 1 . . . . . . . . 5406 1 265 . 1 1 27 27 LYS HD3 H 1 1.383 0.01 . 1 . . . . . . . . 5406 1 266 . 1 1 27 27 LYS CA C 13 55.434 0.1 . 1 . . . . . . . . 5406 1 267 . 1 1 27 27 LYS CB C 13 31.352 0.1 . 1 . . . . . . . . 5406 1 268 . 1 1 27 27 LYS N N 15 125.742 0.1 . 1 . . . . . . . . 5406 1 269 . 1 1 28 28 THR HA H 1 4.141 0.01 . 1 . . . . . . . . 5406 1 270 . 1 1 28 28 THR HB H 1 4.269 0.01 . 1 . . . . . . . . 5406 1 271 . 1 1 28 28 THR HG21 H 1 2.068 0.01 . 1 . . . . . . . . 5406 1 272 . 1 1 28 28 THR HG22 H 1 2.068 0.01 . 1 . . . . . . . . 5406 1 273 . 1 1 28 28 THR HG23 H 1 2.068 0.01 . 1 . . . . . . . . 5406 1 274 . 1 1 28 28 THR CA C 13 68.024 0.1 . 1 . . . . . . . . 5406 1 275 . 1 1 28 28 THR CB C 13 70.147 0.1 . 1 . . . . . . . . 5406 1 276 . 1 1 29 29 GLY H H 1 7.785 0.01 . 1 . . . . . . . . 5406 1 277 . 1 1 29 29 GLY HA2 H 1 -0.003 0.01 . 2 . . . . . . . . 5406 1 278 . 1 1 29 29 GLY HA3 H 1 3.658 0.01 . 2 . . . . . . . . 5406 1 279 . 1 1 29 29 GLY CA C 13 41.453 0.1 . 1 . . . . . . . . 5406 1 280 . 1 1 29 29 GLY N N 15 106.719 0.1 . 1 . . . . . . . . 5406 1 281 . 1 1 30 30 PRO HA H 1 3.593 0.01 . 1 . . . . . . . . 5406 1 282 . 1 1 30 30 PRO HB2 H 1 0.431 0.01 . 2 . . . . . . . . 5406 1 283 . 1 1 30 30 PRO HB3 H 1 1.3 0.01 . 2 . . . . . . . . 5406 1 284 . 1 1 30 30 PRO HG2 H 1 0.525 0.01 . 1 . . . . . . . . 5406 1 285 . 1 1 30 30 PRO HG3 H 1 0.525 0.01 . 1 . . . . . . . . 5406 1 286 . 1 1 30 30 PRO HD2 H 1 1.225 0.01 . 2 . . . . . . . . 5406 1 287 . 1 1 30 30 PRO HD3 H 1 1.849 0.01 . 2 . . . . . . . . 5406 1 288 . 1 1 30 30 PRO CA C 13 60.265 0.1 . 1 . . . . . . . . 5406 1 289 . 1 1 30 30 PRO CB C 13 30.62 0.1 . 1 . . . . . . . . 5406 1 290 . 1 1 30 30 PRO CG C 13 27.372 0.1 . 1 . . . . . . . . 5406 1 291 . 1 1 30 30 PRO CD C 13 47.68 0.1 . 1 . . . . . . . . 5406 1 292 . 1 1 31 31 ASN H H 1 10.711 0.01 . 1 . . . . . . . . 5406 1 293 . 1 1 31 31 ASN HA H 1 4.092 0.01 . 1 . . . . . . . . 5406 1 294 . 1 1 31 31 ASN HB2 H 1 1.975 0.01 . 2 . . . . . . . . 5406 1 295 . 1 1 31 31 ASN HB3 H 1 2.114 0.01 . 2 . . . . . . . . 5406 1 296 . 1 1 31 31 ASN HD21 H 1 7.355 0.01 . 2 . . . . . . . . 5406 1 297 . 1 1 31 31 ASN HD22 H 1 7.993 0.01 . 2 . . . . . . . . 5406 1 298 . 1 1 31 31 ASN CA C 13 55.068 0.1 . 1 . . . . . . . . 5406 1 299 . 1 1 31 31 ASN CB C 13 40.721 0.1 . 1 . . . . . . . . 5406 1 300 . 1 1 31 31 ASN N N 15 124.141 0.1 . 1 . . . . . . . . 5406 1 301 . 1 1 31 31 ASN ND2 N 15 114.381 0.1 . 1 . . . . . . . . 5406 1 302 . 1 1 32 32 LEU H H 1 7.814 0.01 . 1 . . . . . . . . 5406 1 303 . 1 1 32 32 LEU HA H 1 4.074 0.01 . 1 . . . . . . . . 5406 1 304 . 1 1 32 32 LEU HB2 H 1 1.097 0.01 . 2 . . . . . . . . 5406 1 305 . 1 1 32 32 LEU HB3 H 1 1.467 0.01 . 2 . . . . . . . . 5406 1 306 . 1 1 32 32 LEU HG H 1 0.533 0.01 . 1 . . . . . . . . 5406 1 307 . 1 1 32 32 LEU HD11 H 1 -0.595 0.01 . 2 . . . . . . . . 5406 1 308 . 1 1 32 32 LEU HD12 H 1 -0.595 0.01 . 2 . . . . . . . . 5406 1 309 . 1 1 32 32 LEU HD13 H 1 -0.595 0.01 . 2 . . . . . . . . 5406 1 310 . 1 1 32 32 LEU HD21 H 1 -0.771 0.01 . 2 . . . . . . . . 5406 1 311 . 1 1 32 32 LEU HD22 H 1 -0.771 0.01 . 2 . . . . . . . . 5406 1 312 . 1 1 32 32 LEU HD23 H 1 -0.771 0.01 . 2 . . . . . . . . 5406 1 313 . 1 1 32 32 LEU CA C 13 53.677 0.1 . 1 . . . . . . . . 5406 1 314 . 1 1 32 32 LEU CB C 13 43.649 0.1 . 1 . . . . . . . . 5406 1 315 . 1 1 32 32 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 5406 1 316 . 1 1 33 33 HIS H H 1 7.47 0.01 . 1 . . . . . . . . 5406 1 317 . 1 1 33 33 HIS HA H 1 3.775 0.01 . 1 . . . . . . . . 5406 1 318 . 1 1 33 33 HIS HB2 H 1 2.927 0.01 . 1 . . . . . . . . 5406 1 319 . 1 1 33 33 HIS HB3 H 1 2.927 0.01 . 1 . . . . . . . . 5406 1 320 . 1 1 33 33 HIS CA C 13 60.924 0.1 . 1 . . . . . . . . 5406 1 321 . 1 1 33 33 HIS CB C 13 28.863 0.1 . 1 . . . . . . . . 5406 1 322 . 1 1 33 33 HIS N N 15 119.168 0.1 . 1 . . . . . . . . 5406 1 323 . 1 1 34 34 GLY H H 1 8.86 0.01 . 1 . . . . . . . . 5406 1 324 . 1 1 34 34 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 5406 1 325 . 1 1 34 34 GLY HA3 H 1 3.953 0.01 . 2 . . . . . . . . 5406 1 326 . 1 1 34 34 GLY CA C 13 46.357 0.1 . 1 . . . . . . . . 5406 1 327 . 1 1 34 34 GLY N N 15 114.474 0.1 . 1 . . . . . . . . 5406 1 328 . 1 1 35 35 LEU H H 1 7.068 0.01 . 1 . . . . . . . . 5406 1 329 . 1 1 35 35 LEU HA H 1 3.639 0.01 . 1 . . . . . . . . 5406 1 330 . 1 1 35 35 LEU HB2 H 1 1.55 0.01 . 2 . . . . . . . . 5406 1 331 . 1 1 35 35 LEU HB3 H 1 2.178 0.01 . 2 . . . . . . . . 5406 1 332 . 1 1 35 35 LEU HG H 1 1.319 0.01 . 1 . . . . . . . . 5406 1 333 . 1 1 35 35 LEU HD11 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 334 . 1 1 35 35 LEU HD12 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 335 . 1 1 35 35 LEU HD13 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 336 . 1 1 35 35 LEU HD21 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 337 . 1 1 35 35 LEU HD22 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 338 . 1 1 35 35 LEU HD23 H 1 0.709 0.01 . 1 . . . . . . . . 5406 1 339 . 1 1 35 35 LEU CA C 13 58.289 0.1 . 1 . . . . . . . . 5406 1 340 . 1 1 35 35 LEU CB C 13 44.893 0.1 . 1 . . . . . . . . 5406 1 341 . 1 1 35 35 LEU N N 15 117.318 0.1 . 1 . . . . . . . . 5406 1 342 . 1 1 36 36 PHE H H 1 8.714 0.01 . 1 . . . . . . . . 5406 1 343 . 1 1 36 36 PHE HA H 1 3.879 0.01 . 1 . . . . . . . . 5406 1 344 . 1 1 36 36 PHE HB2 H 1 2.853 0.01 . 2 . . . . . . . . 5406 1 345 . 1 1 36 36 PHE HB3 H 1 3.306 0.01 . 2 . . . . . . . . 5406 1 346 . 1 1 36 36 PHE HD1 H 1 7.42 0.01 . 1 . . . . . . . . 5406 1 347 . 1 1 36 36 PHE HD2 H 1 7.42 0.01 . 1 . . . . . . . . 5406 1 348 . 1 1 36 36 PHE HE1 H 1 6.893 0.01 . 1 . . . . . . . . 5406 1 349 . 1 1 36 36 PHE HE2 H 1 6.893 0.01 . 1 . . . . . . . . 5406 1 350 . 1 1 36 36 PHE HZ H 1 7.134 0.01 . 1 . . . . . . . . 5406 1 351 . 1 1 36 36 PHE CA C 13 60.558 0.1 . 1 . . . . . . . . 5406 1 352 . 1 1 36 36 PHE CB C 13 37.354 0.1 . 1 . . . . . . . . 5406 1 353 . 1 1 36 36 PHE N N 15 112.532 0.1 . 1 . . . . . . . . 5406 1 354 . 1 1 37 37 GLY H H 1 9.094 0.01 . 1 . . . . . . . . 5406 1 355 . 1 1 37 37 GLY HA2 H 1 3.547 0.01 . 2 . . . . . . . . 5406 1 356 . 1 1 37 37 GLY HA3 H 1 4.48 0.01 . 2 . . . . . . . . 5406 1 357 . 1 1 37 37 GLY CA C 13 45.259 0.1 . 1 . . . . . . . . 5406 1 358 . 1 1 37 37 GLY N N 15 111.646 0.1 . 1 . . . . . . . . 5406 1 359 . 1 1 38 38 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 5406 1 360 . 1 1 38 38 ARG HA H 1 4.721 0.01 . 1 . . . . . . . . 5406 1 361 . 1 1 38 38 ARG HB2 H 1 2.023 0.01 . 2 . . . . . . . . 5406 1 362 . 1 1 38 38 ARG HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5406 1 363 . 1 1 38 38 ARG HG2 H 1 1.985 0.01 . 2 . . . . . . . . 5406 1 364 . 1 1 38 38 ARG HG3 H 1 2.326 0.01 . 2 . . . . . . . . 5406 1 365 . 1 1 38 38 ARG HD2 H 1 3.223 0.01 . 1 . . . . . . . . 5406 1 366 . 1 1 38 38 ARG HD3 H 1 3.223 0.01 . 1 . . . . . . . . 5406 1 367 . 1 1 38 38 ARG HE H 1 7.882 0.01 . 1 . . . . . . . . 5406 1 368 . 1 1 38 38 ARG CA C 13 55.288 0.1 . 1 . . . . . . . . 5406 1 369 . 1 1 38 38 ARG CB C 13 33.767 0.1 . 1 . . . . . . . . 5406 1 370 . 1 1 38 38 ARG N N 15 123.628 0.1 . 1 . . . . . . . . 5406 1 371 . 1 1 39 39 LYS H H 1 8.107 0.01 . 1 . . . . . . . . 5406 1 372 . 1 1 39 39 LYS HA H 1 4.961 0.01 . 1 . . . . . . . . 5406 1 373 . 1 1 39 39 LYS HB2 H 1 1.573 0.01 . 2 . . . . . . . . 5406 1 374 . 1 1 39 39 LYS HB3 H 1 1.733 0.01 . 2 . . . . . . . . 5406 1 375 . 1 1 39 39 LYS HE2 H 1 2.899 0.01 . 1 . . . . . . . . 5406 1 376 . 1 1 39 39 LYS HE3 H 1 2.899 0.01 . 1 . . . . . . . . 5406 1 377 . 1 1 39 39 LYS CA C 13 56.093 0.1 . 1 . . . . . . . . 5406 1 378 . 1 1 39 39 LYS CB C 13 34.206 0.1 . 1 . . . . . . . . 5406 1 379 . 1 1 39 39 LYS N N 15 122.074 0.1 . 1 . . . . . . . . 5406 1 380 . 1 1 40 40 THR H H 1 7.441 0.01 . 1 . . . . . . . . 5406 1 381 . 1 1 40 40 THR HA H 1 4.536 0.01 . 1 . . . . . . . . 5406 1 382 . 1 1 40 40 THR HB H 1 4.471 0.01 . 1 . . . . . . . . 5406 1 383 . 1 1 40 40 THR HG21 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 384 . 1 1 40 40 THR HG22 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 385 . 1 1 40 40 THR HG23 H 1 0.893 0.01 . 1 . . . . . . . . 5406 1 386 . 1 1 40 40 THR CA C 13 62.534 0.1 . 1 . . . . . . . . 5406 1 387 . 1 1 40 40 THR CB C 13 67.731 0.1 . 1 . . . . . . . . 5406 1 388 . 1 1 40 40 THR N N 15 109.625 0.1 . 1 . . . . . . . . 5406 1 389 . 1 1 41 41 GLY H H 1 8.59 0.01 . 1 . . . . . . . . 5406 1 390 . 1 1 41 41 GLY HA2 H 1 1.513 0.01 . 2 . . . . . . . . 5406 1 391 . 1 1 41 41 GLY HA3 H 1 3.279 0.01 . 2 . . . . . . . . 5406 1 392 . 1 1 41 41 GLY CA C 13 48.187 0.1 . 1 . . . . . . . . 5406 1 393 . 1 1 41 41 GLY N N 15 113.091 0.1 . 1 . . . . . . . . 5406 1 394 . 1 1 42 42 GLN H H 1 8.487 0.01 . 1 . . . . . . . . 5406 1 395 . 1 1 42 42 GLN HA H 1 4.564 0.01 . 1 . . . . . . . . 5406 1 396 . 1 1 42 42 GLN HB2 H 1 1.855 0.01 . 2 . . . . . . . . 5406 1 397 . 1 1 42 42 GLN HB3 H 1 2.493 0.01 . 2 . . . . . . . . 5406 1 398 . 1 1 42 42 GLN HG2 H 1 2.308 0.01 . 1 . . . . . . . . 5406 1 399 . 1 1 42 42 GLN HG3 H 1 2.308 0.01 . 1 . . . . . . . . 5406 1 400 . 1 1 42 42 GLN HE21 H 1 6.976 0.01 . 2 . . . . . . . . 5406 1 401 . 1 1 42 42 GLN HE22 H 1 7.466 0.01 . 2 . . . . . . . . 5406 1 402 . 1 1 42 42 GLN CA C 13 55.361 0.1 . 1 . . . . . . . . 5406 1 403 . 1 1 42 42 GLN CB C 13 31.132 0.1 . 1 . . . . . . . . 5406 1 404 . 1 1 42 42 GLN N N 15 113.961 0.1 . 1 . . . . . . . . 5406 1 405 . 1 1 42 42 GLN NE2 N 15 114.101 0.1 . 1 . . . . . . . . 5406 1 406 . 1 1 43 43 ALA H H 1 8.714 0.01 . 1 . . . . . . . . 5406 1 407 . 1 1 43 43 ALA HA H 1 4.638 0.01 . 1 . . . . . . . . 5406 1 408 . 1 1 43 43 ALA HB1 H 1 1.568 0.01 . 1 . . . . . . . . 5406 1 409 . 1 1 43 43 ALA HB2 H 1 1.568 0.01 . 1 . . . . . . . . 5406 1 410 . 1 1 43 43 ALA HB3 H 1 1.568 0.01 . 1 . . . . . . . . 5406 1 411 . 1 1 43 43 ALA CA C 13 52.506 0.1 . 1 . . . . . . . . 5406 1 412 . 1 1 43 43 ALA CB C 13 18.615 0.1 . 1 . . . . . . . . 5406 1 413 . 1 1 43 43 ALA N N 15 126.457 0.1 . 1 . . . . . . . . 5406 1 414 . 1 1 44 44 PRO HA H 1 4.541 0.01 . 1 . . . . . . . . 5406 1 415 . 1 1 44 44 PRO HB2 H 1 2.087 0.01 . 2 . . . . . . . . 5406 1 416 . 1 1 44 44 PRO HB3 H 1 2.409 0.01 . 2 . . . . . . . . 5406 1 417 . 1 1 44 44 PRO HG2 H 1 2.129 0.01 . 2 . . . . . . . . 5406 1 418 . 1 1 44 44 PRO HG3 H 1 2.261 0.01 . 2 . . . . . . . . 5406 1 419 . 1 1 44 44 PRO HD2 H 1 3.868 0.01 . 2 . . . . . . . . 5406 1 420 . 1 1 44 44 PRO HD3 H 1 4.191 0.01 . 2 . . . . . . . . 5406 1 421 . 1 1 44 44 PRO CA C 13 63.486 0.1 . 1 . . . . . . . . 5406 1 422 . 1 1 44 44 PRO CB C 13 31.864 0.1 . 1 . . . . . . . . 5406 1 423 . 1 1 44 44 PRO CG C 13 27.784 0.1 . 1 . . . . . . . . 5406 1 424 . 1 1 44 44 PRO CD C 13 51.032 0.1 . 1 . . . . . . . . 5406 1 425 . 1 1 45 45 GLY HA2 H 1 3.836 0.01 . 2 . . . . . . . . 5406 1 426 . 1 1 45 45 GLY HA3 H 1 4.363 0.01 . 2 . . . . . . . . 5406 1 427 . 1 1 45 45 GLY CA C 13 46.357 0.1 . 1 . . . . . . . . 5406 1 428 . 1 1 46 46 TYR H H 1 7.156 0.01 . 1 . . . . . . . . 5406 1 429 . 1 1 46 46 TYR HA H 1 4.074 0.01 . 1 . . . . . . . . 5406 1 430 . 1 1 46 46 TYR HB2 H 1 0.995 0.01 . 2 . . . . . . . . 5406 1 431 . 1 1 46 46 TYR HB3 H 1 2.262 0.01 . 2 . . . . . . . . 5406 1 432 . 1 1 46 46 TYR HD1 H 1 6.2 0.01 . 3 . . . . . . . . 5406 1 433 . 1 1 46 46 TYR HD2 H 1 4.832 0.01 . 3 . . . . . . . . 5406 1 434 . 1 1 46 46 TYR HE1 H 1 6.884 0.01 . 3 . . . . . . . . 5406 1 435 . 1 1 46 46 TYR HE2 H 1 6.2 0.01 . 3 . . . . . . . . 5406 1 436 . 1 1 46 46 TYR CA C 13 57.923 0.1 . 1 . . . . . . . . 5406 1 437 . 1 1 46 46 TYR CB C 13 39.623 0.1 . 1 . . . . . . . . 5406 1 438 . 1 1 46 46 TYR N N 15 119.774 0.1 . 1 . . . . . . . . 5406 1 439 . 1 1 47 47 SER H H 1 7.156 0.01 . 1 . . . . . . . . 5406 1 440 . 1 1 47 47 SER HA H 1 4.527 0.01 . 1 . . . . . . . . 5406 1 441 . 1 1 47 47 SER HB2 H 1 3.5 0.01 . 2 . . . . . . . . 5406 1 442 . 1 1 47 47 SER HB3 H 1 3.695 0.01 . 2 . . . . . . . . 5406 1 443 . 1 1 47 47 SER CA C 13 56.751 0.1 . 1 . . . . . . . . 5406 1 444 . 1 1 47 47 SER CB C 13 62.241 0.1 . 1 . . . . . . . . 5406 1 445 . 1 1 47 47 SER N N 15 122.96 0.1 . 1 . . . . . . . . 5406 1 446 . 1 1 48 48 TYR H H 1 8.151 0.01 . 1 . . . . . . . . 5406 1 447 . 1 1 48 48 TYR HA H 1 5.22 0.01 . 1 . . . . . . . . 5406 1 448 . 1 1 48 48 TYR HB2 H 1 2.816 0.01 . 2 . . . . . . . . 5406 1 449 . 1 1 48 48 TYR HB3 H 1 3.713 0.01 . 2 . . . . . . . . 5406 1 450 . 1 1 48 48 TYR HD1 H 1 7.457 0.01 . 3 . . . . . . . . 5406 1 451 . 1 1 48 48 TYR HD2 H 1 7.993 0.01 . 3 . . . . . . . . 5406 1 452 . 1 1 48 48 TYR HE1 H 1 7.281 0.01 . 3 . . . . . . . . 5406 1 453 . 1 1 48 48 TYR HE2 H 1 7.078 0.01 . 3 . . . . . . . . 5406 1 454 . 1 1 48 48 TYR CA C 13 59.313 0.1 . 1 . . . . . . . . 5406 1 455 . 1 1 48 48 TYR CB C 13 42.478 0.1 . 1 . . . . . . . . 5406 1 456 . 1 1 48 48 TYR N N 15 125.633 0.1 . 1 . . . . . . . . 5406 1 457 . 1 1 49 49 THR H H 1 10.353 0.01 . 1 . . . . . . . . 5406 1 458 . 1 1 49 49 THR HA H 1 4.471 0.01 . 1 . . . . . . . . 5406 1 459 . 1 1 49 49 THR HB H 1 4.767 0.01 . 1 . . . . . . . . 5406 1 460 . 1 1 49 49 THR HG21 H 1 1.79 0.01 . 1 . . . . . . . . 5406 1 461 . 1 1 49 49 THR HG22 H 1 1.79 0.01 . 1 . . . . . . . . 5406 1 462 . 1 1 49 49 THR HG23 H 1 1.79 0.01 . 1 . . . . . . . . 5406 1 463 . 1 1 49 49 THR CA C 13 62.827 0.1 . 1 . . . . . . . . 5406 1 464 . 1 1 49 49 THR CB C 13 71.684 0.1 . 1 . . . . . . . . 5406 1 465 . 1 1 49 49 THR N N 15 113.215 0.1 . 1 . . . . . . . . 5406 1 466 . 1 1 50 50 ALA H H 1 8.772 0.01 . 1 . . . . . . . . 5406 1 467 . 1 1 50 50 ALA HA H 1 4.107 0.01 . 1 . . . . . . . . 5406 1 468 . 1 1 50 50 ALA HB1 H 1 1.448 0.01 . 1 . . . . . . . . 5406 1 469 . 1 1 50 50 ALA HB2 H 1 1.448 0.01 . 1 . . . . . . . . 5406 1 470 . 1 1 50 50 ALA HB3 H 1 1.448 0.01 . 1 . . . . . . . . 5406 1 471 . 1 1 50 50 ALA CA C 13 55.068 0.1 . 1 . . . . . . . . 5406 1 472 . 1 1 50 50 ALA CB C 13 17.664 0.1 . 1 . . . . . . . . 5406 1 473 . 1 1 50 50 ALA N N 15 123.83 0.1 . 1 . . . . . . . . 5406 1 474 . 1 1 51 51 ALA H H 1 7.734 0.01 . 1 . . . . . . . . 5406 1 475 . 1 1 51 51 ALA HA H 1 3.953 0.01 . 1 . . . . . . . . 5406 1 476 . 1 1 51 51 ALA HB1 H 1 1.337 0.01 . 1 . . . . . . . . 5406 1 477 . 1 1 51 51 ALA HB2 H 1 1.337 0.01 . 1 . . . . . . . . 5406 1 478 . 1 1 51 51 ALA HB3 H 1 1.337 0.01 . 1 . . . . . . . . 5406 1 479 . 1 1 51 51 ALA CA C 13 55.288 0.1 . 1 . . . . . . . . 5406 1 480 . 1 1 51 51 ALA CB C 13 18.249 0.1 . 1 . . . . . . . . 5406 1 481 . 1 1 51 51 ALA N N 15 117.94 0.1 . 1 . . . . . . . . 5406 1 482 . 1 1 52 52 ASN H H 1 8.436 0.01 . 1 . . . . . . . . 5406 1 483 . 1 1 52 52 ASN HA H 1 4.231 0.01 . 1 . . . . . . . . 5406 1 484 . 1 1 52 52 ASN HB2 H 1 2.973 0.01 . 2 . . . . . . . . 5406 1 485 . 1 1 52 52 ASN HB3 H 1 3.112 0.01 . 2 . . . . . . . . 5406 1 486 . 1 1 52 52 ASN HD21 H 1 7.457 0.01 . 2 . . . . . . . . 5406 1 487 . 1 1 52 52 ASN HD22 H 1 8.751 0.01 . 2 . . . . . . . . 5406 1 488 . 1 1 52 52 ASN CA C 13 58.655 0.1 . 1 . . . . . . . . 5406 1 489 . 1 1 52 52 ASN CB C 13 40.062 0.1 . 1 . . . . . . . . 5406 1 490 . 1 1 52 52 ASN N N 15 117.287 0.1 . 1 . . . . . . . . 5406 1 491 . 1 1 52 52 ASN ND2 N 15 107.077 0.1 . 1 . . . . . . . . 5406 1 492 . 1 1 53 53 LYS H H 1 8.019 0.01 . 1 . . . . . . . . 5406 1 493 . 1 1 53 53 LYS HA H 1 3.556 0.01 . 1 . . . . . . . . 5406 1 494 . 1 1 53 53 LYS HB2 H 1 1.855 0.01 . 1 . . . . . . . . 5406 1 495 . 1 1 53 53 LYS HB3 H 1 1.855 0.01 . 1 . . . . . . . . 5406 1 496 . 1 1 53 53 LYS HG2 H 1 1.541 0.01 . 1 . . . . . . . . 5406 1 497 . 1 1 53 53 LYS HG3 H 1 1.541 0.01 . 1 . . . . . . . . 5406 1 498 . 1 1 53 53 LYS HD2 H 1 1.762 0.01 . 1 . . . . . . . . 5406 1 499 . 1 1 53 53 LYS HD3 H 1 1.762 0.01 . 1 . . . . . . . . 5406 1 500 . 1 1 53 53 LYS HE2 H 1 3.013 0.01 . 1 . . . . . . . . 5406 1 501 . 1 1 53 53 LYS HE3 H 1 3.013 0.01 . 1 . . . . . . . . 5406 1 502 . 1 1 53 53 LYS CA C 13 60.558 0.1 . 1 . . . . . . . . 5406 1 503 . 1 1 53 53 LYS CB C 13 32.523 0.1 . 1 . . . . . . . . 5406 1 504 . 1 1 53 53 LYS N N 15 118.95 0.1 . 1 . . . . . . . . 5406 1 505 . 1 1 54 54 ASN H H 1 8.758 0.01 . 1 . . . . . . . . 5406 1 506 . 1 1 54 54 ASN HA H 1 4.508 0.01 . 1 . . . . . . . . 5406 1 507 . 1 1 54 54 ASN HB2 H 1 2.798 0.01 . 1 . . . . . . . . 5406 1 508 . 1 1 54 54 ASN HB3 H 1 2.798 0.01 . 1 . . . . . . . . 5406 1 509 . 1 1 54 54 ASN HD21 H 1 6.939 0.01 . 2 . . . . . . . . 5406 1 510 . 1 1 54 54 ASN HD22 H 1 7.457 0.01 . 2 . . . . . . . . 5406 1 511 . 1 1 54 54 ASN CA C 13 53.75 0.1 . 1 . . . . . . . . 5406 1 512 . 1 1 54 54 ASN CB C 13 38.672 0.1 . 1 . . . . . . . . 5406 1 513 . 1 1 54 54 ASN N N 15 114.521 0.1 . 1 . . . . . . . . 5406 1 514 . 1 1 54 54 ASN ND2 N 15 111.335 0.1 . 1 . . . . . . . . 5406 1 515 . 1 1 55 55 LYS H H 1 7.477 0.01 . 1 . . . . . . . . 5406 1 516 . 1 1 55 55 LYS HA H 1 4.064 0.01 . 1 . . . . . . . . 5406 1 517 . 1 1 55 55 LYS HB2 H 1 1.855 0.01 . 2 . . . . . . . . 5406 1 518 . 1 1 55 55 LYS HB3 H 1 2.104 0.01 . 2 . . . . . . . . 5406 1 519 . 1 1 55 55 LYS HG2 H 1 1.568 0.01 . 1 . . . . . . . . 5406 1 520 . 1 1 55 55 LYS HG3 H 1 1.568 0.01 . 1 . . . . . . . . 5406 1 521 . 1 1 55 55 LYS CA C 13 58.142 0.1 . 1 . . . . . . . . 5406 1 522 . 1 1 55 55 LYS CB C 13 31.059 0.1 . 1 . . . . . . . . 5406 1 523 . 1 1 55 55 LYS N N 15 122.136 0.1 . 1 . . . . . . . . 5406 1 524 . 1 1 56 56 GLY H H 1 7.148 0.01 . 1 . . . . . . . . 5406 1 525 . 1 1 56 56 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 5406 1 526 . 1 1 56 56 GLY HA3 H 1 3.824 0.01 . 2 . . . . . . . . 5406 1 527 . 1 1 56 56 GLY CA C 13 47.529 0.1 . 1 . . . . . . . . 5406 1 528 . 1 1 56 56 GLY N N 15 102.321 0.1 . 1 . . . . . . . . 5406 1 529 . 1 1 57 57 ILE H H 1 6.351 0.01 . 1 . . . . . . . . 5406 1 530 . 1 1 57 57 ILE HA H 1 4.342 0.01 . 1 . . . . . . . . 5406 1 531 . 1 1 57 57 ILE HB H 1 1.818 0.01 . 1 . . . . . . . . 5406 1 532 . 1 1 57 57 ILE HG12 H 1 0.44 0.01 . 2 . . . . . . . . 5406 1 533 . 1 1 57 57 ILE HG13 H 1 0.912 0.01 . 2 . . . . . . . . 5406 1 534 . 1 1 57 57 ILE HG21 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 535 . 1 1 57 57 ILE HG22 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 536 . 1 1 57 57 ILE HG23 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 537 . 1 1 57 57 ILE HD11 H 1 -0.66 0.01 . 1 . . . . . . . . 5406 1 538 . 1 1 57 57 ILE HD12 H 1 -0.66 0.01 . 1 . . . . . . . . 5406 1 539 . 1 1 57 57 ILE HD13 H 1 -0.66 0.01 . 1 . . . . . . . . 5406 1 540 . 1 1 57 57 ILE CA C 13 58.069 0.1 . 1 . . . . . . . . 5406 1 541 . 1 1 57 57 ILE CB C 13 41.453 0.1 . 1 . . . . . . . . 5406 1 542 . 1 1 57 57 ILE N N 15 109.688 0.1 . 1 . . . . . . . . 5406 1 543 . 1 1 58 58 ILE H H 1 8.099 0.01 . 1 . . . . . . . . 5406 1 544 . 1 1 58 58 ILE HA H 1 4.055 0.01 . 1 . . . . . . . . 5406 1 545 . 1 1 58 58 ILE HB H 1 1.633 0.01 . 1 . . . . . . . . 5406 1 546 . 1 1 58 58 ILE HG12 H 1 1.023 0.01 . 1 . . . . . . . . 5406 1 547 . 1 1 58 58 ILE HG13 H 1 1.023 0.01 . 1 . . . . . . . . 5406 1 548 . 1 1 58 58 ILE HG21 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 549 . 1 1 58 58 ILE HG22 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 550 . 1 1 58 58 ILE HG23 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 551 . 1 1 58 58 ILE HD11 H 1 0.699 0.01 . 1 . . . . . . . . 5406 1 552 . 1 1 58 58 ILE HD12 H 1 0.699 0.01 . 1 . . . . . . . . 5406 1 553 . 1 1 58 58 ILE HD13 H 1 0.699 0.01 . 1 . . . . . . . . 5406 1 554 . 1 1 58 58 ILE CA C 13 58.728 0.1 . 1 . . . . . . . . 5406 1 555 . 1 1 58 58 ILE CB C 13 38.818 0.1 . 1 . . . . . . . . 5406 1 556 . 1 1 58 58 ILE N N 15 118.313 0.1 . 1 . . . . . . . . 5406 1 557 . 1 1 59 59 TRP H H 1 8.985 0.01 . 1 . . . . . . . . 5406 1 558 . 1 1 59 59 TRP HA H 1 4.906 0.01 . 1 . . . . . . . . 5406 1 559 . 1 1 59 59 TRP HB2 H 1 2.511 0.01 . 2 . . . . . . . . 5406 1 560 . 1 1 59 59 TRP HB3 H 1 3.852 0.01 . 2 . . . . . . . . 5406 1 561 . 1 1 59 59 TRP HD1 H 1 7.013 0.01 . 1 . . . . . . . . 5406 1 562 . 1 1 59 59 TRP HE1 H 1 10.036 0.01 . 1 . . . . . . . . 5406 1 563 . 1 1 59 59 TRP HE3 H 1 7.614 0.01 . 1 . . . . . . . . 5406 1 564 . 1 1 59 59 TRP HZ2 H 1 7.087 0.01 . 1 . . . . . . . . 5406 1 565 . 1 1 59 59 TRP HZ3 H 1 6.69 0.01 . 1 . . . . . . . . 5406 1 566 . 1 1 59 59 TRP HH2 H 1 5.701 0.01 . 1 . . . . . . . . 5406 1 567 . 1 1 59 59 TRP CA C 13 57.703 0.1 . 1 . . . . . . . . 5406 1 568 . 1 1 59 59 TRP CB C 13 30.473 0.1 . 1 . . . . . . . . 5406 1 569 . 1 1 59 59 TRP N N 15 131.01 0.1 . 1 . . . . . . . . 5406 1 570 . 1 1 59 59 TRP NE1 N 15 126.767 0.1 . 1 . . . . . . . . 5406 1 571 . 1 1 60 60 GLY H H 1 7.96 0.01 . 1 . . . . . . . . 5406 1 572 . 1 1 60 60 GLY HA2 H 1 3.944 0.01 . 2 . . . . . . . . 5406 1 573 . 1 1 60 60 GLY HA3 H 1 4.24 0.01 . 2 . . . . . . . . 5406 1 574 . 1 1 60 60 GLY CA C 13 44.967 0.1 . 1 . . . . . . . . 5406 1 575 . 1 1 60 60 GLY N N 15 111.133 0.1 . 1 . . . . . . . . 5406 1 576 . 1 1 61 61 GLU H H 1 9.746 0.01 . 1 . . . . . . . . 5406 1 577 . 1 1 61 61 GLU HA H 1 3.963 0.01 . 1 . . . . . . . . 5406 1 578 . 1 1 61 61 GLU HB2 H 1 2.234 0.01 . 1 . . . . . . . . 5406 1 579 . 1 1 61 61 GLU HB3 H 1 2.234 0.01 . 1 . . . . . . . . 5406 1 580 . 1 1 61 61 GLU HG2 H 1 2.493 0.01 . 1 . . . . . . . . 5406 1 581 . 1 1 61 61 GLU HG3 H 1 2.493 0.01 . 1 . . . . . . . . 5406 1 582 . 1 1 61 61 GLU CA C 13 62.461 0.1 . 1 . . . . . . . . 5406 1 583 . 1 1 61 61 GLU CB C 13 29.961 0.1 . 1 . . . . . . . . 5406 1 584 . 1 1 61 61 GLU N N 15 120.66 0.1 . 1 . . . . . . . . 5406 1 585 . 1 1 62 62 ASP H H 1 8.509 0.01 . 1 . . . . . . . . 5406 1 586 . 1 1 62 62 ASP HA H 1 4.443 0.01 . 1 . . . . . . . . 5406 1 587 . 1 1 62 62 ASP HB2 H 1 2.779 0.01 . 1 . . . . . . . . 5406 1 588 . 1 1 62 62 ASP HB3 H 1 2.779 0.01 . 1 . . . . . . . . 5406 1 589 . 1 1 62 62 ASP CA C 13 57.63 0.1 . 1 . . . . . . . . 5406 1 590 . 1 1 62 62 ASP CB C 13 40.135 0.1 . 1 . . . . . . . . 5406 1 591 . 1 1 62 62 ASP N N 15 114.925 0.1 . 1 . . . . . . . . 5406 1 592 . 1 1 63 63 THR H H 1 8.37 0.01 . 1 . . . . . . . . 5406 1 593 . 1 1 63 63 THR HA H 1 4.222 0.01 . 1 . . . . . . . . 5406 1 594 . 1 1 63 63 THR HB H 1 4.457 0.01 . 1 . . . . . . . . 5406 1 595 . 1 1 63 63 THR HG21 H 1 1.374 0.01 . 1 . . . . . . . . 5406 1 596 . 1 1 63 63 THR HG22 H 1 1.374 0.01 . 1 . . . . . . . . 5406 1 597 . 1 1 63 63 THR HG23 H 1 1.374 0.01 . 1 . . . . . . . . 5406 1 598 . 1 1 63 63 THR CA C 13 64.218 0.1 . 1 . . . . . . . . 5406 1 599 . 1 1 63 63 THR CB C 13 69.415 0.1 . 1 . . . . . . . . 5406 1 600 . 1 1 63 63 THR N N 15 112.889 0.1 . 1 . . . . . . . . 5406 1 601 . 1 1 64 64 LEU H H 1 8.955 0.01 . 1 . . . . . . . . 5406 1 602 . 1 1 64 64 LEU HA H 1 4.406 0.01 . 1 . . . . . . . . 5406 1 603 . 1 1 64 64 LEU HB2 H 1 1.28 0.01 . 2 . . . . . . . . 5406 1 604 . 1 1 64 64 LEU HB3 H 1 2.123 0.01 . 2 . . . . . . . . 5406 1 605 . 1 1 64 64 LEU HG H 1 1.974 0.01 . 1 . . . . . . . . 5406 1 606 . 1 1 64 64 LEU HD11 H 1 0.514 0.01 . 2 . . . . . . . . 5406 1 607 . 1 1 64 64 LEU HD12 H 1 0.514 0.01 . 2 . . . . . . . . 5406 1 608 . 1 1 64 64 LEU HD13 H 1 0.514 0.01 . 2 . . . . . . . . 5406 1 609 . 1 1 64 64 LEU HD21 H 1 0.755 0.01 . 2 . . . . . . . . 5406 1 610 . 1 1 64 64 LEU HD22 H 1 0.755 0.01 . 2 . . . . . . . . 5406 1 611 . 1 1 64 64 LEU HD23 H 1 0.755 0.01 . 2 . . . . . . . . 5406 1 612 . 1 1 64 64 LEU CA C 13 58.874 0.1 . 1 . . . . . . . . 5406 1 613 . 1 1 64 64 LEU CB C 13 43.21 0.1 . 1 . . . . . . . . 5406 1 614 . 1 1 64 64 LEU N N 15 121.421 0.1 . 1 . . . . . . . . 5406 1 615 . 1 1 65 65 MET H H 1 8.077 0.01 . 1 . . . . . . . . 5406 1 616 . 1 1 65 65 MET HA H 1 4.018 0.01 . 1 . . . . . . . . 5406 1 617 . 1 1 65 65 MET HB2 H 1 2.141 0.01 . 2 . . . . . . . . 5406 1 618 . 1 1 65 65 MET HB3 H 1 2.474 0.01 . 2 . . . . . . . . 5406 1 619 . 1 1 65 65 MET HG2 H 1 2.668 0.01 . 2 . . . . . . . . 5406 1 620 . 1 1 65 65 MET HG3 H 1 2.89 0.01 . 2 . . . . . . . . 5406 1 621 . 1 1 65 65 MET CA C 13 58.508 0.1 . 1 . . . . . . . . 5406 1 622 . 1 1 65 65 MET CB C 13 31.718 0.1 . 1 . . . . . . . . 5406 1 623 . 1 1 65 65 MET N N 15 118.748 0.1 . 1 . . . . . . . . 5406 1 624 . 1 1 66 66 GLU H H 1 6.951 0.01 . 1 . . . . . . . . 5406 1 625 . 1 1 66 66 GLU HA H 1 4.064 0.01 . 1 . . . . . . . . 5406 1 626 . 1 1 66 66 GLU HB2 H 1 1.559 0.01 . 2 . . . . . . . . 5406 1 627 . 1 1 66 66 GLU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 5406 1 628 . 1 1 66 66 GLU HG2 H 1 1.947 0.01 . 2 . . . . . . . . 5406 1 629 . 1 1 66 66 GLU HG3 H 1 2.252 0.01 . 2 . . . . . . . . 5406 1 630 . 1 1 66 66 GLU CA C 13 58.655 0.1 . 1 . . . . . . . . 5406 1 631 . 1 1 66 66 GLU CB C 13 30.107 0.1 . 1 . . . . . . . . 5406 1 632 . 1 1 66 66 GLU N N 15 117.241 0.1 . 1 . . . . . . . . 5406 1 633 . 1 1 67 67 TYR H H 1 8.326 0.01 . 1 . . . . . . . . 5406 1 634 . 1 1 67 67 TYR HA H 1 3.611 0.01 . 1 . . . . . . . . 5406 1 635 . 1 1 67 67 TYR HB2 H 1 2.733 0.01 . 2 . . . . . . . . 5406 1 636 . 1 1 67 67 TYR HB3 H 1 3.343 0.01 . 2 . . . . . . . . 5406 1 637 . 1 1 67 67 TYR HD1 H 1 7.235 0.01 . 1 . . . . . . . . 5406 1 638 . 1 1 67 67 TYR HD2 H 1 7.235 0.01 . 1 . . . . . . . . 5406 1 639 . 1 1 67 67 TYR HE1 H 1 6.579 0.01 . 1 . . . . . . . . 5406 1 640 . 1 1 67 67 TYR HE2 H 1 6.579 0.01 . 1 . . . . . . . . 5406 1 641 . 1 1 67 67 TYR CA C 13 60.411 0.1 . 1 . . . . . . . . 5406 1 642 . 1 1 67 67 TYR CB C 13 40.867 0.1 . 1 . . . . . . . . 5406 1 643 . 1 1 67 67 TYR N N 15 120.256 0.1 . 1 . . . . . . . . 5406 1 644 . 1 1 68 68 LEU H H 1 8.282 0.01 . 1 . . . . . . . . 5406 1 645 . 1 1 68 68 LEU HA H 1 3.112 0.01 . 1 . . . . . . . . 5406 1 646 . 1 1 68 68 LEU HB2 H 1 1.106 0.01 . 2 . . . . . . . . 5406 1 647 . 1 1 68 68 LEU HB3 H 1 1.725 0.01 . 2 . . . . . . . . 5406 1 648 . 1 1 68 68 LEU HG H 1 1.945 0.01 . 1 . . . . . . . . 5406 1 649 . 1 1 68 68 LEU HD11 H 1 0.357 0.01 . 2 . . . . . . . . 5406 1 650 . 1 1 68 68 LEU HD12 H 1 0.357 0.01 . 2 . . . . . . . . 5406 1 651 . 1 1 68 68 LEU HD13 H 1 0.357 0.01 . 2 . . . . . . . . 5406 1 652 . 1 1 68 68 LEU HD21 H 1 1.095 0.01 . 2 . . . . . . . . 5406 1 653 . 1 1 68 68 LEU HD22 H 1 1.095 0.01 . 2 . . . . . . . . 5406 1 654 . 1 1 68 68 LEU HD23 H 1 1.095 0.01 . 2 . . . . . . . . 5406 1 655 . 1 1 68 68 LEU CA C 13 55.946 0.1 . 1 . . . . . . . . 5406 1 656 . 1 1 68 68 LEU CB C 13 41.892 0.1 . 1 . . . . . . . . 5406 1 657 . 1 1 68 68 LEU N N 15 109.361 0.1 . 1 . . . . . . . . 5406 1 658 . 1 1 69 69 GLU H H 1 6.899 0.01 . 1 . . . . . . . . 5406 1 659 . 1 1 69 69 GLU HA H 1 3.963 0.01 . 1 . . . . . . . . 5406 1 660 . 1 1 69 69 GLU HB2 H 1 1.762 0.01 . 2 . . . . . . . . 5406 1 661 . 1 1 69 69 GLU HB3 H 1 2.021 0.01 . 2 . . . . . . . . 5406 1 662 . 1 1 69 69 GLU HG2 H 1 2.123 0.01 . 2 . . . . . . . . 5406 1 663 . 1 1 69 69 GLU HG3 H 1 2.206 0.01 . 2 . . . . . . . . 5406 1 664 . 1 1 69 69 GLU CA C 13 59.094 0.1 . 1 . . . . . . . . 5406 1 665 . 1 1 69 69 GLU CB C 13 30.181 0.1 . 1 . . . . . . . . 5406 1 666 . 1 1 69 69 GLU N N 15 118.966 0.1 . 1 . . . . . . . . 5406 1 667 . 1 1 70 70 ASN H H 1 6.212 0.01 . 1 . . . . . . . . 5406 1 668 . 1 1 70 70 ASN HA H 1 4.268 0.01 . 1 . . . . . . . . 5406 1 669 . 1 1 70 70 ASN HB2 H 1 2.826 0.01 . 1 . . . . . . . . 5406 1 670 . 1 1 70 70 ASN HB3 H 1 2.826 0.01 . 1 . . . . . . . . 5406 1 671 . 1 1 70 70 ASN HD21 H 1 6.69 0.01 . 2 . . . . . . . . 5406 1 672 . 1 1 70 70 ASN HD22 H 1 7.716 0.01 . 2 . . . . . . . . 5406 1 673 . 1 1 70 70 ASN CA C 13 52.14 0.1 . 1 . . . . . . . . 5406 1 674 . 1 1 70 70 ASN CB C 13 37.574 0.1 . 1 . . . . . . . . 5406 1 675 . 1 1 70 70 ASN N N 15 105.196 0.1 . 1 . . . . . . . . 5406 1 676 . 1 1 70 70 ASN ND2 N 15 111.506 0.1 . 1 . . . . . . . . 5406 1 677 . 1 1 71 71 PRO HA H 1 3.636 0.01 . 1 . . . . . . . . 5406 1 678 . 1 1 71 71 PRO HB2 H 1 0.413 0.01 . 2 . . . . . . . . 5406 1 679 . 1 1 71 71 PRO HB3 H 1 0.905 0.01 . 2 . . . . . . . . 5406 1 680 . 1 1 71 71 PRO HG2 H 1 0.109 0.01 . 2 . . . . . . . . 5406 1 681 . 1 1 71 71 PRO HG3 H 1 0.762 0.01 . 2 . . . . . . . . 5406 1 682 . 1 1 71 71 PRO HD2 H 1 2.806 0.01 . 2 . . . . . . . . 5406 1 683 . 1 1 71 71 PRO HD3 H 1 3.103 0.01 . 2 . . . . . . . . 5406 1 684 . 1 1 71 71 PRO CA C 13 66.194 0.1 . 1 . . . . . . . . 5406 1 685 . 1 1 71 71 PRO CB C 13 30.126 0.1 . 1 . . . . . . . . 5406 1 686 . 1 1 71 71 PRO CG C 13 26.659 0.1 . 1 . . . . . . . . 5406 1 687 . 1 1 71 71 PRO CD C 13 49.069 0.1 . 1 . . . . . . . . 5406 1 688 . 1 1 72 72 LYS H H 1 7.602 0.01 . 1 . . . . . . . . 5406 1 689 . 1 1 72 72 LYS HA H 1 3.796 0.01 . 1 . . . . . . . . 5406 1 690 . 1 1 72 72 LYS HB2 H 1 1.531 0.01 . 2 . . . . . . . . 5406 1 691 . 1 1 72 72 LYS HB3 H 1 1.698 0.01 . 2 . . . . . . . . 5406 1 692 . 1 1 72 72 LYS HG2 H 1 1.272 0.01 . 1 . . . . . . . . 5406 1 693 . 1 1 72 72 LYS HG3 H 1 1.272 0.01 . 1 . . . . . . . . 5406 1 694 . 1 1 72 72 LYS HD2 H 1 1.143 0.01 . 1 . . . . . . . . 5406 1 695 . 1 1 72 72 LYS HD3 H 1 1.143 0.01 . 1 . . . . . . . . 5406 1 696 . 1 1 72 72 LYS HE2 H 1 2.816 0.01 . 1 . . . . . . . . 5406 1 697 . 1 1 72 72 LYS HE3 H 1 2.816 0.01 . 1 . . . . . . . . 5406 1 698 . 1 1 72 72 LYS CA C 13 58.069 0.1 . 1 . . . . . . . . 5406 1 699 . 1 1 72 72 LYS CB C 13 31.937 0.1 . 1 . . . . . . . . 5406 1 700 . 1 1 72 72 LYS N N 15 113.433 0.1 . 1 . . . . . . . . 5406 1 701 . 1 1 73 73 LYS H H 1 6.973 0.01 . 1 . . . . . . . . 5406 1 702 . 1 1 73 73 LYS HA H 1 3.953 0.01 . 1 . . . . . . . . 5406 1 703 . 1 1 73 73 LYS HB2 H 1 1.596 0.01 . 1 . . . . . . . . 5406 1 704 . 1 1 73 73 LYS HB3 H 1 1.596 0.01 . 1 . . . . . . . . 5406 1 705 . 1 1 73 73 LYS HG2 H 1 1.309 0.01 . 1 . . . . . . . . 5406 1 706 . 1 1 73 73 LYS HG3 H 1 1.309 0.01 . 1 . . . . . . . . 5406 1 707 . 1 1 73 73 LYS HD2 H 1 1.134 0.01 . 1 . . . . . . . . 5406 1 708 . 1 1 73 73 LYS HD3 H 1 1.134 0.01 . 1 . . . . . . . . 5406 1 709 . 1 1 73 73 LYS HE2 H 1 2.937 0.01 . 1 . . . . . . . . 5406 1 710 . 1 1 73 73 LYS HE3 H 1 2.937 0.01 . 1 . . . . . . . . 5406 1 711 . 1 1 73 73 LYS CA C 13 57.923 0.1 . 1 . . . . . . . . 5406 1 712 . 1 1 73 73 LYS CB C 13 33.548 0.1 . 1 . . . . . . . . 5406 1 713 . 1 1 73 73 LYS N N 15 118.499 0.1 . 1 . . . . . . . . 5406 1 714 . 1 1 74 74 TYR H H 1 7.317 0.01 . 1 . . . . . . . . 5406 1 715 . 1 1 74 74 TYR HA H 1 4.388 0.01 . 1 . . . . . . . . 5406 1 716 . 1 1 74 74 TYR HB2 H 1 3.131 0.01 . 2 . . . . . . . . 5406 1 717 . 1 1 74 74 TYR HB3 H 1 3.269 0.01 . 2 . . . . . . . . 5406 1 718 . 1 1 74 74 TYR HD1 H 1 7.235 0.01 . 1 . . . . . . . . 5406 1 719 . 1 1 74 74 TYR HD2 H 1 7.235 0.01 . 1 . . . . . . . . 5406 1 720 . 1 1 74 74 TYR HE1 H 1 6.579 0.01 . 1 . . . . . . . . 5406 1 721 . 1 1 74 74 TYR HE2 H 1 6.579 0.01 . 1 . . . . . . . . 5406 1 722 . 1 1 74 74 TYR CA C 13 61.07 0.1 . 1 . . . . . . . . 5406 1 723 . 1 1 74 74 TYR CB C 13 40.062 0.1 . 1 . . . . . . . . 5406 1 724 . 1 1 74 74 TYR N N 15 118.826 0.1 . 1 . . . . . . . . 5406 1 725 . 1 1 75 75 ILE H H 1 8.253 0.01 . 1 . . . . . . . . 5406 1 726 . 1 1 75 75 ILE HA H 1 4.129 0.01 . 1 . . . . . . . . 5406 1 727 . 1 1 75 75 ILE HB H 1 1.901 0.01 . 1 . . . . . . . . 5406 1 728 . 1 1 75 75 ILE HG12 H 1 1.291 0.01 . 1 . . . . . . . . 5406 1 729 . 1 1 75 75 ILE HG13 H 1 1.291 0.01 . 1 . . . . . . . . 5406 1 730 . 1 1 75 75 ILE HG21 H 1 0.625 0.01 . 1 . . . . . . . . 5406 1 731 . 1 1 75 75 ILE HG22 H 1 0.625 0.01 . 1 . . . . . . . . 5406 1 732 . 1 1 75 75 ILE HG23 H 1 0.625 0.01 . 1 . . . . . . . . 5406 1 733 . 1 1 75 75 ILE HD11 H 1 0.957 0.01 . 1 . . . . . . . . 5406 1 734 . 1 1 75 75 ILE HD12 H 1 0.957 0.01 . 1 . . . . . . . . 5406 1 735 . 1 1 75 75 ILE HD13 H 1 0.957 0.01 . 1 . . . . . . . . 5406 1 736 . 1 1 75 75 ILE CA C 13 59.094 0.1 . 1 . . . . . . . . 5406 1 737 . 1 1 75 75 ILE CB C 13 37.793 0.1 . 1 . . . . . . . . 5406 1 738 . 1 1 75 75 ILE N N 15 113.759 0.1 . 1 . . . . . . . . 5406 1 739 . 1 1 76 76 PRO HA H 1 4.517 0.01 . 1 . . . . . . . . 5406 1 740 . 1 1 76 76 PRO HB2 H 1 1.753 0.01 . 2 . . . . . . . . 5406 1 741 . 1 1 76 76 PRO HB3 H 1 2.206 0.01 . 2 . . . . . . . . 5406 1 742 . 1 1 76 76 PRO HG2 H 1 1.896 0.01 . 2 . . . . . . . . 5406 1 743 . 1 1 76 76 PRO HG3 H 1 1.948 0.01 . 2 . . . . . . . . 5406 1 744 . 1 1 76 76 PRO HD2 H 1 3.168 0.01 . 2 . . . . . . . . 5406 1 745 . 1 1 76 76 PRO HD3 H 1 3.358 0.01 . 2 . . . . . . . . 5406 1 746 . 1 1 76 76 PRO CA C 13 64.364 0.1 . 1 . . . . . . . . 5406 1 747 . 1 1 76 76 PRO CB C 13 31.425 0.1 . 1 . . . . . . . . 5406 1 748 . 1 1 76 76 PRO CG C 13 27.41 0.1 . 1 . . . . . . . . 5406 1 749 . 1 1 76 76 PRO CD C 13 49.43 0.1 . 1 . . . . . . . . 5406 1 750 . 1 1 77 77 GLY H H 1 8.663 0.01 . 1 . . . . . . . . 5406 1 751 . 1 1 77 77 GLY HA2 H 1 3.639 0.01 . 2 . . . . . . . . 5406 1 752 . 1 1 77 77 GLY HA3 H 1 4.212 0.01 . 2 . . . . . . . . 5406 1 753 . 1 1 77 77 GLY CA C 13 44.893 0.1 . 1 . . . . . . . . 5406 1 754 . 1 1 77 77 GLY N N 15 111.133 0.1 . 1 . . . . . . . . 5406 1 755 . 1 1 78 78 THR H H 1 8.151 0.01 . 1 . . . . . . . . 5406 1 756 . 1 1 78 78 THR HA H 1 4.526 0.01 . 1 . . . . . . . . 5406 1 757 . 1 1 78 78 THR HB H 1 4.258 0.01 . 1 . . . . . . . . 5406 1 758 . 1 1 78 78 THR HG21 H 1 0.819 0.01 . 1 . . . . . . . . 5406 1 759 . 1 1 78 78 THR HG22 H 1 0.819 0.01 . 1 . . . . . . . . 5406 1 760 . 1 1 78 78 THR HG23 H 1 0.819 0.01 . 1 . . . . . . . . 5406 1 761 . 1 1 78 78 THR CA C 13 61.729 0.1 . 1 . . . . . . . . 5406 1 762 . 1 1 78 78 THR CB C 13 68.683 0.1 . 1 . . . . . . . . 5406 1 763 . 1 1 78 78 THR N N 15 114.925 0.1 . 1 . . . . . . . . 5406 1 764 . 1 1 79 79 LYS H H 1 7.99 0.01 . 1 . . . . . . . . 5406 1 765 . 1 1 79 79 LYS HA H 1 4.692 0.01 . 1 . . . . . . . . 5406 1 766 . 1 1 79 79 LYS HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5406 1 767 . 1 1 79 79 LYS HB3 H 1 2.419 0.01 . 2 . . . . . . . . 5406 1 768 . 1 1 79 79 LYS HG2 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 769 . 1 1 79 79 LYS HG3 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 770 . 1 1 79 79 LYS HD2 H 1 2.048 0.01 . 1 . . . . . . . . 5406 1 771 . 1 1 79 79 LYS HD3 H 1 2.048 0.01 . 1 . . . . . . . . 5406 1 772 . 1 1 79 79 LYS HE2 H 1 3.416 0.01 . 1 . . . . . . . . 5406 1 773 . 1 1 79 79 LYS HE3 H 1 3.416 0.01 . 1 . . . . . . . . 5406 1 774 . 1 1 79 79 LYS CA C 13 55.727 0.1 . 1 . . . . . . . . 5406 1 775 . 1 1 79 79 LYS CB C 13 32.889 0.1 . 1 . . . . . . . . 5406 1 776 . 1 1 79 79 LYS N N 15 122.431 0.1 . 1 . . . . . . . . 5406 1 777 . 1 1 80 80 MET H H 1 7.141 0.01 . 1 . . . . . . . . 5406 1 778 . 1 1 80 80 MET HA H 1 3.14 0.01 . 1 . . . . . . . . 5406 1 779 . 1 1 80 80 MET HB2 H 1 -0.225 0.01 . 2 . . . . . . . . 5406 1 780 . 1 1 80 80 MET HB3 H 1 -1.88 0.01 . 2 . . . . . . . . 5406 1 781 . 1 1 80 80 MET HG2 H 1 -2.564 0.01 . 2 . . . . . . . . 5406 1 782 . 1 1 80 80 MET HG3 H 1 -3.729 0.01 . 2 . . . . . . . . 5406 1 783 . 1 1 80 80 MET HE1 H 1 -3.276 0.01 . 1 . . . . . . . . 5406 1 784 . 1 1 80 80 MET HE2 H 1 -3.276 0.01 . 1 . . . . . . . . 5406 1 785 . 1 1 80 80 MET HE3 H 1 -3.276 0.01 . 1 . . . . . . . . 5406 1 786 . 1 1 80 80 MET CA C 13 56.312 0.1 . 1 . . . . . . . . 5406 1 787 . 1 1 80 80 MET CB C 13 27.399 0.1 . 1 . . . . . . . . 5406 1 788 . 1 1 80 80 MET N N 15 123.442 0.1 . 1 . . . . . . . . 5406 1 789 . 1 1 81 81 ILE H H 1 7.887 0.01 . 1 . . . . . . . . 5406 1 790 . 1 1 81 81 ILE HA H 1 3.611 0.01 . 1 . . . . . . . . 5406 1 791 . 1 1 81 81 ILE HB H 1 2.086 0.01 . 1 . . . . . . . . 5406 1 792 . 1 1 81 81 ILE HG12 H 1 1.272 0.01 . 2 . . . . . . . . 5406 1 793 . 1 1 81 81 ILE HG13 H 1 1.448 0.01 . 2 . . . . . . . . 5406 1 794 . 1 1 81 81 ILE HG21 H 1 0.783 0.01 . 1 . . . . . . . . 5406 1 795 . 1 1 81 81 ILE HG22 H 1 0.783 0.01 . 1 . . . . . . . . 5406 1 796 . 1 1 81 81 ILE HG23 H 1 0.783 0.01 . 1 . . . . . . . . 5406 1 797 . 1 1 81 81 ILE HD11 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 798 . 1 1 81 81 ILE HD12 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 799 . 1 1 81 81 ILE HD13 H 1 0.718 0.01 . 1 . . . . . . . . 5406 1 800 . 1 1 81 81 ILE CA C 13 59.826 0.1 . 1 . . . . . . . . 5406 1 801 . 1 1 81 81 ILE CB C 13 35.231 0.1 . 1 . . . . . . . . 5406 1 802 . 1 1 81 81 ILE N N 15 129.845 0.1 . 1 . . . . . . . . 5406 1 803 . 1 1 82 82 PHE H H 1 6.585 0.01 . 1 . . . . . . . . 5406 1 804 . 1 1 82 82 PHE HA H 1 4.462 0.01 . 1 . . . . . . . . 5406 1 805 . 1 1 82 82 PHE HB2 H 1 0.579 0.01 . 2 . . . . . . . . 5406 1 806 . 1 1 82 82 PHE HB3 H 1 2.169 0.01 . 2 . . . . . . . . 5406 1 807 . 1 1 82 82 PHE HD1 H 1 6.727 0.01 . 1 . . . . . . . . 5406 1 808 . 1 1 82 82 PHE HD2 H 1 6.727 0.01 . 1 . . . . . . . . 5406 1 809 . 1 1 82 82 PHE HE1 H 1 7.403 0.01 . 1 . . . . . . . . 5406 1 810 . 1 1 82 82 PHE HE2 H 1 7.403 0.01 . 1 . . . . . . . . 5406 1 811 . 1 1 82 82 PHE HZ H 1 7.226 0.01 . 1 . . . . . . . . 5406 1 812 . 1 1 82 82 PHE CA C 13 57.117 0.1 . 1 . . . . . . . . 5406 1 813 . 1 1 82 82 PHE CB C 13 41.233 0.1 . 1 . . . . . . . . 5406 1 814 . 1 1 82 82 PHE N N 15 123.193 0.1 . 1 . . . . . . . . 5406 1 815 . 1 1 83 83 VAL H H 1 7.851 0.01 . 1 . . . . . . . . 5406 1 816 . 1 1 83 83 VAL HA H 1 3.417 0.01 . 1 . . . . . . . . 5406 1 817 . 1 1 83 83 VAL HB H 1 1.809 0.01 . 1 . . . . . . . . 5406 1 818 . 1 1 83 83 VAL HG11 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 819 . 1 1 83 83 VAL HG12 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 820 . 1 1 83 83 VAL HG13 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 821 . 1 1 83 83 VAL HG21 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 822 . 1 1 83 83 VAL HG22 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 823 . 1 1 83 83 VAL HG23 H 1 0.746 0.01 . 1 . . . . . . . . 5406 1 824 . 1 1 83 83 VAL CA C 13 64.803 0.1 . 1 . . . . . . . . 5406 1 825 . 1 1 83 83 VAL CB C 13 31.937 0.1 . 1 . . . . . . . . 5406 1 826 . 1 1 83 83 VAL N N 15 125.229 0.1 . 1 . . . . . . . . 5406 1 827 . 1 1 84 84 GLY HA2 H 1 2.98 0.01 . 2 . . . . . . . . 5406 1 828 . 1 1 84 84 GLY HA3 H 1 4.314 0.01 . 2 . . . . . . . . 5406 1 829 . 1 1 84 84 GLY CA C 13 43.356 0.1 . 1 . . . . . . . . 5406 1 830 . 1 1 85 85 ILE H H 1 8.399 0.01 . 1 . . . . . . . . 5406 1 831 . 1 1 85 85 ILE HA H 1 4.258 0.01 . 1 . . . . . . . . 5406 1 832 . 1 1 85 85 ILE HB H 1 1.476 0.01 . 1 . . . . . . . . 5406 1 833 . 1 1 85 85 ILE HG12 H 1 1.291 0.01 . 2 . . . . . . . . 5406 1 834 . 1 1 85 85 ILE HG13 H 1 1.762 0.01 . 2 . . . . . . . . 5406 1 835 . 1 1 85 85 ILE HG21 H 1 1.051 0.01 . 1 . . . . . . . . 5406 1 836 . 1 1 85 85 ILE HG22 H 1 1.051 0.01 . 1 . . . . . . . . 5406 1 837 . 1 1 85 85 ILE HG23 H 1 1.051 0.01 . 1 . . . . . . . . 5406 1 838 . 1 1 85 85 ILE HD11 H 1 1.004 0.01 . 1 . . . . . . . . 5406 1 839 . 1 1 85 85 ILE HD12 H 1 1.004 0.01 . 1 . . . . . . . . 5406 1 840 . 1 1 85 85 ILE HD13 H 1 1.004 0.01 . 1 . . . . . . . . 5406 1 841 . 1 1 85 85 ILE CA C 13 60.119 0.1 . 1 . . . . . . . . 5406 1 842 . 1 1 85 85 ILE CB C 13 40.282 0.1 . 1 . . . . . . . . 5406 1 843 . 1 1 85 85 ILE N N 15 120.551 0.1 . 1 . . . . . . . . 5406 1 844 . 1 1 86 86 LYS H H 1 8.59 0.01 . 1 . . . . . . . . 5406 1 845 . 1 1 86 86 LYS HA H 1 4.083 0.01 . 1 . . . . . . . . 5406 1 846 . 1 1 86 86 LYS HB2 H 1 1.827 0.01 . 1 . . . . . . . . 5406 1 847 . 1 1 86 86 LYS HB3 H 1 1.827 0.01 . 1 . . . . . . . . 5406 1 848 . 1 1 86 86 LYS CA C 13 58.947 0.1 . 1 . . . . . . . . 5406 1 849 . 1 1 86 86 LYS CB C 13 32.962 0.1 . 1 . . . . . . . . 5406 1 850 . 1 1 86 86 LYS N N 15 127.482 0.1 . 1 . . . . . . . . 5406 1 851 . 1 1 87 87 LYS H H 1 8.443 0.01 . 1 . . . . . . . . 5406 1 852 . 1 1 87 87 LYS HA H 1 4.379 0.01 . 1 . . . . . . . . 5406 1 853 . 1 1 87 87 LYS HB2 H 1 1.809 0.01 . 2 . . . . . . . . 5406 1 854 . 1 1 87 87 LYS HB3 H 1 1.929 0.01 . 2 . . . . . . . . 5406 1 855 . 1 1 87 87 LYS HG2 H 1 1.513 0.01 . 2 . . . . . . . . 5406 1 856 . 1 1 87 87 LYS HG3 H 1 1.661 0.01 . 2 . . . . . . . . 5406 1 857 . 1 1 87 87 LYS HD2 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 858 . 1 1 87 87 LYS HD3 H 1 1.781 0.01 . 1 . . . . . . . . 5406 1 859 . 1 1 87 87 LYS HE2 H 1 3.056 0.01 . 1 . . . . . . . . 5406 1 860 . 1 1 87 87 LYS HE3 H 1 3.056 0.01 . 1 . . . . . . . . 5406 1 861 . 1 1 87 87 LYS CA C 13 57.337 0.1 . 1 . . . . . . . . 5406 1 862 . 1 1 87 87 LYS CB C 13 33.182 0.1 . 1 . . . . . . . . 5406 1 863 . 1 1 87 87 LYS N N 15 120.162 0.1 . 1 . . . . . . . . 5406 1 864 . 1 1 88 88 LYS H H 1 9.204 0.01 . 1 . . . . . . . . 5406 1 865 . 1 1 88 88 LYS HA H 1 3.695 0.01 . 1 . . . . . . . . 5406 1 866 . 1 1 88 88 LYS HB2 H 1 1.827 0.01 . 2 . . . . . . . . 5406 1 867 . 1 1 88 88 LYS HB3 H 1 1.901 0.01 . 2 . . . . . . . . 5406 1 868 . 1 1 88 88 LYS HG2 H 1 1.485 0.01 . 2 . . . . . . . . 5406 1 869 . 1 1 88 88 LYS HG3 H 1 1.679 0.01 . 2 . . . . . . . . 5406 1 870 . 1 1 88 88 LYS HD2 H 1 1.707 0.01 . 1 . . . . . . . . 5406 1 871 . 1 1 88 88 LYS HD3 H 1 1.707 0.01 . 1 . . . . . . . . 5406 1 872 . 1 1 88 88 LYS HE2 H 1 2.973 0.01 . 1 . . . . . . . . 5406 1 873 . 1 1 88 88 LYS HE3 H 1 2.973 0.01 . 1 . . . . . . . . 5406 1 874 . 1 1 88 88 LYS CA C 13 60.851 0.1 . 1 . . . . . . . . 5406 1 875 . 1 1 88 88 LYS CB C 13 32.596 0.1 . 1 . . . . . . . . 5406 1 876 . 1 1 88 88 LYS N N 15 129.611 0.1 . 1 . . . . . . . . 5406 1 877 . 1 1 89 89 GLU H H 1 9.526 0.01 . 1 . . . . . . . . 5406 1 878 . 1 1 89 89 GLU HA H 1 4.018 0.01 . 1 . . . . . . . . 5406 1 879 . 1 1 89 89 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5406 1 880 . 1 1 89 89 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5406 1 881 . 1 1 89 89 GLU HG2 H 1 2.373 0.01 . 1 . . . . . . . . 5406 1 882 . 1 1 89 89 GLU HG3 H 1 2.373 0.01 . 1 . . . . . . . . 5406 1 883 . 1 1 89 89 GLU CA C 13 60.485 0.1 . 1 . . . . . . . . 5406 1 884 . 1 1 89 89 GLU CB C 13 29.375 0.1 . 1 . . . . . . . . 5406 1 885 . 1 1 89 89 GLU N N 15 118.018 0.1 . 1 . . . . . . . . 5406 1 886 . 1 1 90 90 GLU H H 1 6.475 0.01 . 1 . . . . . . . . 5406 1 887 . 1 1 90 90 GLU HA H 1 4.305 0.01 . 1 . . . . . . . . 5406 1 888 . 1 1 90 90 GLU HB2 H 1 2.012 0.01 . 2 . . . . . . . . 5406 1 889 . 1 1 90 90 GLU HB3 H 1 2.114 0.01 . 2 . . . . . . . . 5406 1 890 . 1 1 90 90 GLU HG2 H 1 2.384 0.01 . 1 . . . . . . . . 5406 1 891 . 1 1 90 90 GLU HG3 H 1 2.384 0.01 . 1 . . . . . . . . 5406 1 892 . 1 1 90 90 GLU CA C 13 58.874 0.1 . 1 . . . . . . . . 5406 1 893 . 1 1 90 90 GLU CB C 13 30.547 0.1 . 1 . . . . . . . . 5406 1 894 . 1 1 90 90 GLU N N 15 116.448 0.1 . 1 . . . . . . . . 5406 1 895 . 1 1 91 91 ARG H H 1 7.536 0.01 . 1 . . . . . . . . 5406 1 896 . 1 1 91 91 ARG HA H 1 3.861 0.01 . 1 . . . . . . . . 5406 1 897 . 1 1 91 91 ARG HB2 H 1 1.938 0.01 . 2 . . . . . . . . 5406 1 898 . 1 1 91 91 ARG HB3 H 1 2.206 0.01 . 2 . . . . . . . . 5406 1 899 . 1 1 91 91 ARG HG2 H 1 1.337 0.01 . 2 . . . . . . . . 5406 1 900 . 1 1 91 91 ARG HG3 H 1 1.818 0.01 . 2 . . . . . . . . 5406 1 901 . 1 1 91 91 ARG HD2 H 1 3.306 0.01 . 2 . . . . . . . . 5406 1 902 . 1 1 91 91 ARG HD3 H 1 3.38 0.01 . 2 . . . . . . . . 5406 1 903 . 1 1 91 91 ARG HE H 1 6.323 0.01 . 1 . . . . . . . . 5406 1 904 . 1 1 91 91 ARG CA C 13 61.802 0.1 . 1 . . . . . . . . 5406 1 905 . 1 1 91 91 ARG CB C 13 31.864 0.1 . 1 . . . . . . . . 5406 1 906 . 1 1 91 91 ARG N N 15 117.334 0.1 . 1 . . . . . . . . 5406 1 907 . 1 1 92 92 ALA H H 1 8.751 0.01 . 1 . . . . . . . . 5406 1 908 . 1 1 92 92 ALA HA H 1 4.074 0.01 . 1 . . . . . . . . 5406 1 909 . 1 1 92 92 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 5406 1 910 . 1 1 92 92 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5406 1 911 . 1 1 92 92 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5406 1 912 . 1 1 92 92 ALA CA C 13 56.02 0.1 . 1 . . . . . . . . 5406 1 913 . 1 1 92 92 ALA CB C 13 18.322 0.1 . 1 . . . . . . . . 5406 1 914 . 1 1 92 92 ALA N N 15 120.038 0.1 . 1 . . . . . . . . 5406 1 915 . 1 1 93 93 ASP H H 1 8.282 0.01 . 1 . . . . . . . . 5406 1 916 . 1 1 93 93 ASP HA H 1 4.314 0.01 . 1 . . . . . . . . 5406 1 917 . 1 1 93 93 ASP HB2 H 1 2.724 0.01 . 1 . . . . . . . . 5406 1 918 . 1 1 93 93 ASP HB3 H 1 2.724 0.01 . 1 . . . . . . . . 5406 1 919 . 1 1 93 93 ASP CA C 13 58.508 0.1 . 1 . . . . . . . . 5406 1 920 . 1 1 93 93 ASP CB C 13 40.282 0.1 . 1 . . . . . . . . 5406 1 921 . 1 1 93 93 ASP N N 15 121.981 0.1 . 1 . . . . . . . . 5406 1 922 . 1 1 94 94 LEU H H 1 8.275 0.01 . 1 . . . . . . . . 5406 1 923 . 1 1 94 94 LEU HA H 1 4.314 0.01 . 1 . . . . . . . . 5406 1 924 . 1 1 94 94 LEU HB2 H 1 1.864 0.01 . 2 . . . . . . . . 5406 1 925 . 1 1 94 94 LEU HB3 H 1 2.391 0.01 . 2 . . . . . . . . 5406 1 926 . 1 1 94 94 LEU HG H 1 1.541 0.01 . 1 . . . . . . . . 5406 1 927 . 1 1 94 94 LEU HD11 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 928 . 1 1 94 94 LEU HD12 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 929 . 1 1 94 94 LEU HD13 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 930 . 1 1 94 94 LEU HD21 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 931 . 1 1 94 94 LEU HD22 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 932 . 1 1 94 94 LEU HD23 H 1 1.178 0.01 . 1 . . . . . . . . 5406 1 933 . 1 1 94 94 LEU CA C 13 58.655 0.1 . 1 . . . . . . . . 5406 1 934 . 1 1 94 94 LEU CB C 13 42.185 0.1 . 1 . . . . . . . . 5406 1 935 . 1 1 94 94 LEU N N 15 121.11 0.1 . 1 . . . . . . . . 5406 1 936 . 1 1 95 95 ILE H H 1 9.065 0.01 . 1 . . . . . . . . 5406 1 937 . 1 1 95 95 ILE HA H 1 3.713 0.01 . 1 . . . . . . . . 5406 1 938 . 1 1 95 95 ILE HB H 1 2.058 0.01 . 1 . . . . . . . . 5406 1 939 . 1 1 95 95 ILE HG12 H 1 1.873 0.01 . 1 . . . . . . . . 5406 1 940 . 1 1 95 95 ILE HG13 H 1 1.873 0.01 . 1 . . . . . . . . 5406 1 941 . 1 1 95 95 ILE HG21 H 1 1.245 0.01 . 1 . . . . . . . . 5406 1 942 . 1 1 95 95 ILE HG22 H 1 1.245 0.01 . 1 . . . . . . . . 5406 1 943 . 1 1 95 95 ILE HG23 H 1 1.245 0.01 . 1 . . . . . . . . 5406 1 944 . 1 1 95 95 ILE HD11 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 945 . 1 1 95 95 ILE HD12 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 946 . 1 1 95 95 ILE HD13 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 947 . 1 1 95 95 ILE CA C 13 66.926 0.1 . 1 . . . . . . . . 5406 1 948 . 1 1 95 95 ILE CB C 13 38.379 0.1 . 1 . . . . . . . . 5406 1 949 . 1 1 95 95 ILE N N 15 120.854 0.1 . 1 . . . . . . . . 5406 1 950 . 1 1 96 96 ALA H H 1 8.085 0.01 . 1 . . . . . . . . 5406 1 951 . 1 1 96 96 ALA HA H 1 4.129 0.01 . 1 . . . . . . . . 5406 1 952 . 1 1 96 96 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5406 1 953 . 1 1 96 96 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5406 1 954 . 1 1 96 96 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5406 1 955 . 1 1 96 96 ALA CA C 13 55.507 0.1 . 1 . . . . . . . . 5406 1 956 . 1 1 96 96 ALA CB C 13 17.664 0.1 . 1 . . . . . . . . 5406 1 957 . 1 1 96 96 ALA N N 15 122.898 0.1 . 1 . . . . . . . . 5406 1 958 . 1 1 97 97 TYR H H 1 8.173 0.01 . 1 . . . . . . . . 5406 1 959 . 1 1 97 97 TYR HA H 1 4.268 0.01 . 1 . . . . . . . . 5406 1 960 . 1 1 97 97 TYR HB2 H 1 3.14 0.01 . 2 . . . . . . . . 5406 1 961 . 1 1 97 97 TYR HB3 H 1 3.685 0.01 . 2 . . . . . . . . 5406 1 962 . 1 1 97 97 TYR HD1 H 1 7.152 0.01 . 3 . . . . . . . . 5406 1 963 . 1 1 97 97 TYR HD2 H 1 6.597 0.01 . 3 . . . . . . . . 5406 1 964 . 1 1 97 97 TYR HE1 H 1 6.727 0.01 . 3 . . . . . . . . 5406 1 965 . 1 1 97 97 TYR HE2 H 1 5.571 0.01 . 3 . . . . . . . . 5406 1 966 . 1 1 97 97 TYR CA C 13 62.022 0.1 . 1 . . . . . . . . 5406 1 967 . 1 1 97 97 TYR CB C 13 37.574 0.1 . 1 . . . . . . . . 5406 1 968 . 1 1 97 97 TYR N N 15 118.064 0.1 . 1 . . . . . . . . 5406 1 969 . 1 1 98 98 LEU H H 1 9.102 0.01 . 1 . . . . . . . . 5406 1 970 . 1 1 98 98 LEU HA H 1 3.436 0.01 . 1 . . . . . . . . 5406 1 971 . 1 1 98 98 LEU HB2 H 1 2.336 0.01 . 1 . . . . . . . . 5406 1 972 . 1 1 98 98 LEU HB3 H 1 2.336 0.01 . 1 . . . . . . . . 5406 1 973 . 1 1 98 98 LEU HG H 1 2.206 0.01 . 1 . . . . . . . . 5406 1 974 . 1 1 98 98 LEU HD11 H 1 0.681 0.01 . 2 . . . . . . . . 5406 1 975 . 1 1 98 98 LEU HD12 H 1 0.681 0.01 . 2 . . . . . . . . 5406 1 976 . 1 1 98 98 LEU HD13 H 1 0.681 0.01 . 2 . . . . . . . . 5406 1 977 . 1 1 98 98 LEU HD21 H 1 1.115 0.01 . 2 . . . . . . . . 5406 1 978 . 1 1 98 98 LEU HD22 H 1 1.115 0.01 . 2 . . . . . . . . 5406 1 979 . 1 1 98 98 LEU HD23 H 1 1.115 0.01 . 2 . . . . . . . . 5406 1 980 . 1 1 98 98 LEU CA C 13 58.215 0.1 . 1 . . . . . . . . 5406 1 981 . 1 1 98 98 LEU CB C 13 42.478 0.1 . 1 . . . . . . . . 5406 1 982 . 1 1 98 98 LEU N N 15 119.168 0.1 . 1 . . . . . . . . 5406 1 983 . 1 1 99 99 LYS H H 1 8.999 0.01 . 1 . . . . . . . . 5406 1 984 . 1 1 99 99 LYS HA H 1 2.548 0.01 . 1 . . . . . . . . 5406 1 985 . 1 1 99 99 LYS HB2 H 1 1.319 0.01 . 2 . . . . . . . . 5406 1 986 . 1 1 99 99 LYS HB3 H 1 1.587 0.01 . 2 . . . . . . . . 5406 1 987 . 1 1 99 99 LYS HG2 H 1 0.357 0.01 . 2 . . . . . . . . 5406 1 988 . 1 1 99 99 LYS HG3 H 1 0.829 0.01 . 2 . . . . . . . . 5406 1 989 . 1 1 99 99 LYS HE2 H 1 2.759 0.01 . 1 . . . . . . . . 5406 1 990 . 1 1 99 99 LYS HE3 H 1 2.759 0.01 . 1 . . . . . . . . 5406 1 991 . 1 1 99 99 LYS CA C 13 59.753 0.1 . 1 . . . . . . . . 5406 1 992 . 1 1 99 99 LYS CB C 13 32.376 0.1 . 1 . . . . . . . . 5406 1 993 . 1 1 99 99 LYS N N 15 123.69 0.1 . 1 . . . . . . . . 5406 1 994 . 1 1 100 100 LYS H H 1 6.819 0.01 . 1 . . . . . . . . 5406 1 995 . 1 1 100 100 LYS HA H 1 4.074 0.01 . 1 . . . . . . . . 5406 1 996 . 1 1 100 100 LYS HB2 H 1 1.762 0.01 . 1 . . . . . . . . 5406 1 997 . 1 1 100 100 LYS HB3 H 1 1.762 0.01 . 1 . . . . . . . . 5406 1 998 . 1 1 100 100 LYS HG2 H 1 1.245 0.01 . 2 . . . . . . . . 5406 1 999 . 1 1 100 100 LYS HG3 H 1 1.411 0.01 . 2 . . . . . . . . 5406 1 1000 . 1 1 100 100 LYS HD2 H 1 1.623 0.01 . 2 . . . . . . . . 5406 1 1001 . 1 1 100 100 LYS HD3 H 1 1.704 0.01 . 2 . . . . . . . . 5406 1 1002 . 1 1 100 100 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5406 1 1003 . 1 1 100 100 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5406 1 1004 . 1 1 100 100 LYS CA C 13 58.289 0.1 . 1 . . . . . . . . 5406 1 1005 . 1 1 100 100 LYS CB C 13 33.694 0.1 . 1 . . . . . . . . 5406 1 1006 . 1 1 100 100 LYS N N 15 116.743 0.1 . 1 . . . . . . . . 5406 1 1007 . 1 1 101 101 ALA H H 1 8.633 0.01 . 1 . . . . . . . . 5406 1 1008 . 1 1 101 101 ALA HA H 1 3.898 0.01 . 1 . . . . . . . . 5406 1 1009 . 1 1 101 101 ALA HB1 H 1 0.57 0.01 . 1 . . . . . . . . 5406 1 1010 . 1 1 101 101 ALA HB2 H 1 0.57 0.01 . 1 . . . . . . . . 5406 1 1011 . 1 1 101 101 ALA HB3 H 1 0.57 0.01 . 1 . . . . . . . . 5406 1 1012 . 1 1 101 101 ALA CA C 13 54.995 0.1 . 1 . . . . . . . . 5406 1 1013 . 1 1 101 101 ALA CB C 13 18.981 0.1 . 1 . . . . . . . . 5406 1 1014 . 1 1 101 101 ALA N N 15 119.525 0.1 . 1 . . . . . . . . 5406 1 1015 . 1 1 102 102 THR H H 1 7.895 0.01 . 1 . . . . . . . . 5406 1 1016 . 1 1 102 102 THR HA H 1 4.236 0.01 . 1 . . . . . . . . 5406 1 1017 . 1 1 102 102 THR HB H 1 4.712 0.01 . 1 . . . . . . . . 5406 1 1018 . 1 1 102 102 THR HG21 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 1019 . 1 1 102 102 THR HG22 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 1020 . 1 1 102 102 THR HG23 H 1 1.014 0.01 . 1 . . . . . . . . 5406 1 1021 . 1 1 102 102 THR CA C 13 62.461 0.1 . 1 . . . . . . . . 5406 1 1022 . 1 1 102 102 THR CB C 13 69.927 0.1 . 1 . . . . . . . . 5406 1 1023 . 1 1 102 102 THR N N 15 101.917 0.1 . 1 . . . . . . . . 5406 1 1024 . 1 1 103 103 ASN H H 1 7.068 0.01 . 1 . . . . . . . . 5406 1 1025 . 1 1 103 103 ASN HA H 1 4.869 0.01 . 1 . . . . . . . . 5406 1 1026 . 1 1 103 103 ASN HB2 H 1 2.53 0.01 . 2 . . . . . . . . 5406 1 1027 . 1 1 103 103 ASN HB3 H 1 2.816 0.01 . 2 . . . . . . . . 5406 1 1028 . 1 1 103 103 ASN HD21 H 1 6.468 0.01 . 2 . . . . . . . . 5406 1 1029 . 1 1 103 103 ASN HD22 H 1 7.901 0.01 . 2 . . . . . . . . 5406 1 1030 . 1 1 103 103 ASN CA C 13 53.018 0.1 . 1 . . . . . . . . 5406 1 1031 . 1 1 103 103 ASN CB C 13 41.965 0.1 . 1 . . . . . . . . 5406 1 1032 . 1 1 103 103 ASN N N 15 118.328 0.1 . 1 . . . . . . . . 5406 1 1033 . 1 1 103 103 ASN ND2 N 15 114.008 0.1 . 1 . . . . . . . . 5406 1 1034 . 1 1 104 104 GLU H H 1 7.295 0.01 . 1 . . . . . . . . 5406 1 1035 . 1 1 104 104 GLU HA H 1 4.231 0.01 . 1 . . . . . . . . 5406 1 1036 . 1 1 104 104 GLU HB2 H 1 1.966 0.01 . 1 . . . . . . . . 5406 1 1037 . 1 1 104 104 GLU HB3 H 1 1.966 0.01 . 1 . . . . . . . . 5406 1 1038 . 1 1 104 104 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 5406 1 1039 . 1 1 104 104 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 5406 1 1040 . 1 1 104 104 GLU CA C 13 58.289 0.1 . 1 . . . . . . . . 5406 1 1041 . 1 1 104 104 GLU CB C 13 31.498 0.1 . 1 . . . . . . . . 5406 1 1042 . 1 1 104 104 GLU N N 15 124.7 0.1 . 1 . . . . . . . . 5406 1 stop_ save_ ################################### # 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_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5406 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond._set_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 . . 1 $sample_1 . 5406 2 . . 2 $sample_2 . 5406 2 . . 3 $sample_3 . 5406 2 . . 4 $sample_4 . 5406 2 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 . 2 2 1 1 HEC HHA H 1 9.63 0.01 . 1 . . . . . . . . 5406 2 2 . 2 2 1 1 HEC HAA1 H 1 4.185 0.01 . 2 . . . . . . . . 5406 2 3 . 2 2 1 1 HEC HAA2 H 1 3.695 0.01 . 2 . . . . . . . . 5406 2 4 . 2 2 1 1 HEC HBA1 H 1 3.242 0.01 . 2 . . . . . . . . 5406 2 5 . 2 2 1 1 HEC HBA2 H 1 2.696 0.01 . 2 . . . . . . . . 5406 2 6 . 2 2 1 1 HEC HMA H 1 2.178 0.01 . 1 . . . . . . . . 5406 2 7 . 2 2 1 1 HEC CHA C 13 98.044 0.1 . 1 . . . . . . . . 5406 2 8 . 2 2 1 1 HEC CAA C 13 24.628 0.1 . 1 . . . . . . . . 5406 2 9 . 2 2 1 1 HEC CBA C 13 44.845 0.1 . 1 . . . . . . . . 5406 2 10 . 2 2 1 1 HEC CMA C 13 13.043 0.1 . 1 . . . . . . . . 5406 2 11 . 2 2 1 1 HEC HHB H 1 9.047 0.01 . 1 . . . . . . . . 5406 2 12 . 2 2 1 1 HEC HAB H 1 5.248 0.01 . 1 . . . . . . . . 5406 2 13 . 2 2 1 1 HEC HBB H 1 1.513 0.01 . 1 . . . . . . . . 5406 2 14 . 2 2 1 1 HEC HMB H 1 3.51 0.01 . 1 . . . . . . . . 5406 2 15 . 2 2 1 1 HEC CHB C 13 98.033 0.1 . 1 . . . . . . . . 5406 2 16 . 2 2 1 1 HEC CAB C 13 35.982 0.1 . 1 . . . . . . . . 5406 2 17 . 2 2 1 1 HEC CBB C 13 26.263 0.1 . 1 . . . . . . . . 5406 2 18 . 2 2 1 1 HEC CMB C 13 15.285 0.1 . 1 . . . . . . . . 5406 2 19 . 2 2 1 1 HEC HHC H 1 9.334 0.01 . 1 . . . . . . . . 5406 2 20 . 2 2 1 1 HEC HAC H 1 6.394 0.01 . 1 . . . . . . . . 5406 2 21 . 2 2 1 1 HEC HBC H 1 2.594 0.01 . 1 . . . . . . . . 5406 2 22 . 2 2 1 1 HEC HMC H 1 3.861 0.01 . 1 . . . . . . . . 5406 2 23 . 2 2 1 1 HEC CHC C 13 99.366 0.1 . 1 . . . . . . . . 5406 2 24 . 2 2 1 1 HEC CAC C 13 39.69 0.1 . 1 . . . . . . . . 5406 2 25 . 2 2 1 1 HEC CBC C 13 22.395 0.1 . 1 . . . . . . . . 5406 2 26 . 2 2 1 1 HEC CMC C 13 15.108 0.1 . 1 . . . . . . . . 5406 2 27 . 2 2 1 1 HEC HHD H 1 9.639 0.01 . 1 . . . . . . . . 5406 2 28 . 2 2 1 1 HEC HAD1 H 1 4.444 0.01 . 2 . . . . . . . . 5406 2 29 . 2 2 1 1 HEC HAD2 H 1 4.213 0.01 . 2 . . . . . . . . 5406 2 30 . 2 2 1 1 HEC HBD1 H 1 4.239 0.01 . 2 . . . . . . . . 5406 2 31 . 2 2 1 1 HEC HBD2 H 1 3.947 0.01 . 2 . . . . . . . . 5406 2 32 . 2 2 1 1 HEC HMD H 1 3.51 0.01 . 1 . . . . . . . . 5406 2 33 . 2 2 1 1 HEC CHD C 13 99.285 0.1 . 1 . . . . . . . . 5406 2 34 . 2 2 1 1 HEC CAD C 13 24.576 0.1 . 1 . . . . . . . . 5406 2 35 . 2 2 1 1 HEC CBD C 13 44.055 0.1 . 1 . . . . . . . . 5406 2 36 . 2 2 1 1 HEC CMD C 13 15.055 0.1 . 1 . . . . . . . . 5406 2 stop_ save_