################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '2D 1H-1H NOESY' . . . 16397 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 3 3 LYS H H 1 8.502 0.020 . 1 . . . . 1 K H . 16397 1 2 . 1 1 3 3 LYS HA H 1 4.272 0.020 . 1 . . . . 1 K HA . 16397 1 3 . 1 1 3 3 LYS HB2 H 1 1.849 0.020 . 2 . . . . 1 K HB2 . 16397 1 4 . 1 1 3 3 LYS HB3 H 1 1.661 0.020 . 2 . . . . 1 K HB3 . 16397 1 5 . 1 1 3 3 LYS HD2 H 1 1.836 0.020 . 2 . . . . 1 K HD2 . 16397 1 6 . 1 1 3 3 LYS HD3 H 1 1.651 0.020 . 2 . . . . 1 K HD3 . 16397 1 7 . 1 1 3 3 LYS HE2 H 1 3.208 0.020 . 2 . . . . 1 K HE2 . 16397 1 8 . 1 1 3 3 LYS HE3 H 1 2.980 0.020 . 2 . . . . 1 K HE3 . 16397 1 9 . 1 1 3 3 LYS HG2 H 1 1.447 0.020 . 2 . . . . 1 K HG2 . 16397 1 10 . 1 1 3 3 LYS HG3 H 1 1.295 0.020 . 2 . . . . 1 K HG3 . 16397 1 11 . 1 1 4 4 PHE H H 1 8.255 0.020 . 1 . . . . 2 F H . 16397 1 12 . 1 1 4 4 PHE HA H 1 4.617 0.020 . 1 . . . . 2 F HA . 16397 1 13 . 1 1 4 4 PHE HB2 H 1 3.155 0.020 . 2 . . . . 2 F HB2 . 16397 1 14 . 1 1 4 4 PHE HB3 H 1 2.987 0.020 . 2 . . . . 2 F HB3 . 16397 1 15 . 1 1 4 4 PHE HD1 H 1 7.259 0.020 . 3 . . . . 2 F QD . 16397 1 16 . 1 1 4 4 PHE HD2 H 1 7.259 0.020 . 3 . . . . 2 F QD . 16397 1 17 . 1 1 4 4 PHE HE1 H 1 7.376 0.020 . 3 . . . . 2 F QE . 16397 1 18 . 1 1 4 4 PHE HE2 H 1 7.376 0.020 . 3 . . . . 2 F QE . 16397 1 19 . 1 1 4 4 PHE HZ H 1 7.335 0.020 . 1 . . . . 2 F HZ . 16397 1 20 . 1 1 5 5 LEU H H 1 8.122 0.020 . 1 . . . . 3 L H . 16397 1 21 . 1 1 5 5 LEU HA H 1 4.303 0.020 . 1 . . . . 3 L HA . 16397 1 22 . 1 1 5 5 LEU HB2 H 1 1.608 0.020 . 2 . . . . 3 L HB2 . 16397 1 23 . 1 1 5 5 LEU HB3 H 1 1.549 0.020 . 2 . . . . 3 L HB3 . 16397 1 24 . 1 1 5 5 LEU HD11 H 1 0.922 0.020 . . . . . . 3 L QD1 . 16397 1 25 . 1 1 5 5 LEU HD12 H 1 0.922 0.020 . . . . . . 3 L QD1 . 16397 1 26 . 1 1 5 5 LEU HD13 H 1 0.922 0.020 . . . . . . 3 L QD1 . 16397 1 27 . 1 1 5 5 LEU HD21 H 1 0.864 0.020 . . . . . . 3 L QD2 . 16397 1 28 . 1 1 5 5 LEU HD22 H 1 0.864 0.020 . . . . . . 3 L QD2 . 16397 1 29 . 1 1 5 5 LEU HD23 H 1 0.864 0.020 . . . . . . 3 L QD2 . 16397 1 30 . 1 1 5 5 LEU HG H 1 1.666 0.020 . 1 . . . . 3 L HG . 16397 1 31 . 1 1 6 6 ASN H H 1 8.342 0.020 . 1 . . . . 4 N H . 16397 1 32 . 1 1 6 6 ASN HA H 1 4.634 0.020 . 1 . . . . 4 N HA . 16397 1 33 . 1 1 6 6 ASN HB2 H 1 2.860 0.020 . 2 . . . . 4 N HB2 . 16397 1 34 . 1 1 6 6 ASN HB3 H 1 2.752 0.020 . 2 . . . . 4 N HB3 . 16397 1 35 . 1 1 6 6 ASN HD21 H 1 7.668 0.020 . 2 . . . . 4 N HD21 . 16397 1 36 . 1 1 6 6 ASN HD22 H 1 6.970 0.020 . 2 . . . . 4 N HD22 . 16397 1 37 . 1 1 7 7 LYS H H 1 8.250 0.020 . 1 . . . . 5 K H . 16397 1 38 . 1 1 7 7 LYS HA H 1 4.280 0.020 . 1 . . . . 5 K HA . 16397 1 39 . 1 1 7 7 LYS HB2 H 1 1.851 0.020 . 2 . . . . 5 K HB2 . 16397 1 40 . 1 1 7 7 LYS HB3 H 1 1.760 0.020 . 2 . . . . 5 K HB3 . 16397 1 41 . 1 1 7 7 LYS HD2 H 1 1.687 0.020 . 2 . . . . 5 K QD . 16397 1 42 . 1 1 7 7 LYS HD3 H 1 1.687 0.020 . 2 . . . . 5 K QD . 16397 1 43 . 1 1 7 7 LYS HG2 H 1 1.407 0.020 . 2 . . . . 5 K HG2 . 16397 1 44 . 1 1 7 7 LYS HG3 H 1 1.453 0.020 . 2 . . . . 5 K HG3 . 16397 1 45 . 1 1 8 8 ARG H H 1 8.411 0.020 . 1 . . . . 6 R H . 16397 1 46 . 1 1 8 8 ARG HA H 1 4.316 0.020 . 1 . . . . 6 R HA . 16397 1 47 . 1 1 8 8 ARG HB2 H 1 2.077 0.020 . 2 . . . . 6 R HB2 . 16397 1 48 . 1 1 8 8 ARG HB3 H 1 1.888 0.020 . 2 . . . . 6 R HB3 . 16397 1 49 . 1 1 8 8 ARG HG2 H 1 1.788 0.020 . 2 . . . . 6 R HG2 . 16397 1 50 . 1 1 8 8 ARG HG3 H 1 1.626 0.020 . 2 . . . . 6 R HG3 . 16397 1 51 . 1 1 9 9 LEU H H 1 8.335 0.020 . 1 . . . . 7 L H . 16397 1 52 . 1 1 9 9 LEU HA H 1 4.290 0.020 . 1 . . . . 7 L HA . 16397 1 53 . 1 1 9 9 LEU HB2 H 1 1.703 0.020 . 2 . . . . 7 L HB2 . 16397 1 54 . 1 1 9 9 LEU HB3 H 1 1.650 0.020 . 2 . . . . 7 L HB3 . 16397 1 55 . 1 1 9 9 LEU HD11 H 1 0.939 0.020 . . . . . . 7 L QD1 . 16397 1 56 . 1 1 9 9 LEU HD12 H 1 0.939 0.020 . . . . . . 7 L QD1 . 16397 1 57 . 1 1 9 9 LEU HD13 H 1 0.939 0.020 . . . . . . 7 L QD1 . 16397 1 58 . 1 1 9 9 LEU HD21 H 1 0.882 0.020 . . . . . . 7 L QD2 . 16397 1 59 . 1 1 9 9 LEU HD22 H 1 0.882 0.020 . . . . . . 7 L QD2 . 16397 1 60 . 1 1 9 9 LEU HD23 H 1 0.882 0.020 . . . . . . 7 L QD2 . 16397 1 61 . 1 1 9 9 LEU HG H 1 1.550 0.020 . 1 . . . . 7 L HG . 16397 1 62 . 1 1 10 10 SER H H 1 8.283 0.020 . 1 . . . . 8 S H . 16397 1 63 . 1 1 10 10 SER HA H 1 4.462 0.020 . 1 . . . . 8 S HA . 16397 1 64 . 1 1 10 10 SER HB2 H 1 3.929 0.020 . 2 . . . . 8 S HB2 . 16397 1 65 . 1 1 10 10 SER HB3 H 1 3.876 0.020 . 2 . . . . 8 S HB3 . 16397 1 66 . 1 1 11 11 GLU H H 1 8.305 0.020 . 1 . . . . 9 E H . 16397 1 67 . 1 1 11 11 GLU HA H 1 4.357 0.020 . 1 . . . . 9 E HA . 16397 1 68 . 1 1 11 11 GLU HB2 H 1 2.120 0.020 . 2 . . . . 9 E HB2 . 16397 1 69 . 1 1 11 11 GLU HB3 H 1 1.988 0.020 . 2 . . . . 9 E HB3 . 16397 1 70 . 1 1 11 11 GLU HG2 H 1 2.298 0.020 . 2 . . . . 9 E HG2 . 16397 1 71 . 1 1 11 11 GLU HG3 H 1 2.269 0.020 . 2 . . . . 9 E HG3 . 16397 1 72 . 1 1 12 12 ARG H H 1 8.146 0.020 . 1 . . . . 10 R H . 16397 1 73 . 1 1 12 12 ARG HA H 1 4.385 0.020 . 1 . . . . 10 R HA . 16397 1 74 . 1 1 12 12 ARG HB2 H 1 1.936 0.020 . 2 . . . . 10 R HB2 . 16397 1 75 . 1 1 12 12 ARG HB3 H 1 1.818 0.020 . 2 . . . . 10 R HB3 . 16397 1 76 . 1 1 12 12 ARG HD2 H 1 3.249 0.020 . 2 . . . . 10 R QD . 16397 1 77 . 1 1 12 12 ARG HD3 H 1 3.249 0.020 . 2 . . . . 10 R QD . 16397 1 78 . 1 1 12 12 ARG HG2 H 1 1.740 0.020 . 2 . . . . 10 R HG2 . 16397 1 79 . 1 1 12 12 ARG HG3 H 1 1.701 0.020 . 2 . . . . 10 R HG3 . 16397 1 80 . 1 1 13 13 GLU H H 1 8.463 0.020 . 1 . . . . 11 E H . 16397 1 81 . 1 1 13 13 GLU HA H 1 4.235 0.020 . 1 . . . . 11 E HA . 16397 1 82 . 1 1 13 13 GLU HB2 H 1 2.075 0.020 . 2 . . . . 11 E HB2 . 16397 1 83 . 1 1 13 13 GLU HB3 H 1 2.008 0.020 . 2 . . . . 11 E HB3 . 16397 1 84 . 1 1 13 13 GLU HG2 H 1 2.349 0.020 . 2 . . . . 11 E HG2 . 16397 1 85 . 1 1 13 13 GLU HG3 H 1 2.296 0.020 . 2 . . . . 11 E HG3 . 16397 1 86 . 1 1 14 14 PHE H H 1 8.233 0.020 . 1 . . . . 12 F H . 16397 1 87 . 1 1 14 14 PHE HA H 1 5.004 0.020 . 1 . . . . 12 F HA . 16397 1 88 . 1 1 14 14 PHE HB2 H 1 3.108 0.020 . 2 . . . . 12 F HB2 . 16397 1 89 . 1 1 14 14 PHE HB3 H 1 2.771 0.020 . 2 . . . . 12 F HB3 . 16397 1 90 . 1 1 14 14 PHE HD1 H 1 7.172 0.020 . 3 . . . . 12 F QD . 16397 1 91 . 1 1 14 14 PHE HD2 H 1 7.172 0.020 . 3 . . . . 12 F QD . 16397 1 92 . 1 1 14 14 PHE HE1 H 1 7.236 0.020 . 3 . . . . 12 F QE . 16397 1 93 . 1 1 14 14 PHE HE2 H 1 7.236 0.020 . 3 . . . . 12 F QE . 16397 1 94 . 1 1 15 15 ASP H H 1 11.165 0.020 . 1 . . . . 13 D H . 16397 1 95 . 1 1 15 15 ASP HA H 1 4.635 0.020 . 1 . . . . 13 D HA . 16397 1 96 . 1 1 15 15 ASP HB2 H 1 2.549 0.020 . 2 . . . . 13 D HB2 . 16397 1 97 . 1 1 15 15 ASP HB3 H 1 2.340 0.020 . 2 . . . . 13 D HB3 . 16397 1 98 . 1 1 16 16 PRO HA H 1 4.117 0.020 . 1 . . . . 14 P HA . 16397 1 99 . 1 1 16 16 PRO HB2 H 1 2.281 0.020 . 2 . . . . 14 P HB2 . 16397 1 100 . 1 1 16 16 PRO HB3 H 1 1.858 0.020 . 2 . . . . 14 P HB3 . 16397 1 101 . 1 1 16 16 PRO HD2 H 1 3.678 0.020 . 2 . . . . 14 P HD2 . 16397 1 102 . 1 1 16 16 PRO HD3 H 1 2.916 0.020 . 2 . . . . 14 P HD3 . 16397 1 103 . 1 1 16 16 PRO HG2 H 1 1.847 0.020 . 2 . . . . 14 P HG2 . 16397 1 104 . 1 1 16 16 PRO HG3 H 1 1.754 0.020 . 2 . . . . 14 P HG3 . 16397 1 105 . 1 1 17 17 ASP H H 1 8.340 0.020 . 1 . . . . 15 D H . 16397 1 106 . 1 1 17 17 ASP HA H 1 4.870 0.020 . 1 . . . . 15 D HA . 16397 1 107 . 1 1 17 17 ASP HB2 H 1 2.598 0.020 . 2 . . . . 15 D QB . 16397 1 108 . 1 1 17 17 ASP HB3 H 1 2.598 0.020 . 2 . . . . 15 D QB . 16397 1 109 . 1 1 18 18 ILE H H 1 7.182 0.020 . 1 . . . . 16 I H . 16397 1 110 . 1 1 18 18 ILE HA H 1 4.366 0.020 . 1 . . . . 16 I HA . 16397 1 111 . 1 1 18 18 ILE HB H 1 1.640 0.020 . 1 . . . . 16 I HB . 16397 1 112 . 1 1 18 18 ILE HD11 H 1 0.562 0.020 . . . . . . 16 I QD1 . 16397 1 113 . 1 1 18 18 ILE HD12 H 1 0.562 0.020 . . . . . . 16 I QD1 . 16397 1 114 . 1 1 18 18 ILE HD13 H 1 0.562 0.020 . . . . . . 16 I QD1 . 16397 1 115 . 1 1 18 18 ILE HG12 H 1 0.579 0.020 . 2 . . . . 16 I HG12 . 16397 1 116 . 1 1 18 18 ILE HG13 H 1 0.389 0.020 . 2 . . . . 16 I HG13 . 16397 1 117 . 1 1 18 18 ILE HG21 H 1 0.616 0.020 . . . . . . 16 I QG2 . 16397 1 118 . 1 1 18 18 ILE HG22 H 1 0.616 0.020 . . . . . . 16 I QG2 . 16397 1 119 . 1 1 18 18 ILE HG23 H 1 0.616 0.020 . . . . . . 16 I QG2 . 16397 1 120 . 1 1 19 19 HIS H H 1 7.856 0.020 . 1 . . . . 17 H H . 16397 1 121 . 1 1 19 19 HIS HA H 1 5.445 0.020 . 1 . . . . 17 H HA . 16397 1 122 . 1 1 19 19 HIS HB2 H 1 3.695 0.020 . 2 . . . . 17 H HB2 . 16397 1 123 . 1 1 19 19 HIS HB3 H 1 3.165 0.020 . 2 . . . . 17 H HB3 . 16397 1 124 . 1 1 19 19 HIS HD2 H 1 6.760 0.020 . 1 . . . . 17 H HD2 . 16397 1 125 . 1 1 19 19 HIS HE1 H 1 7.846 0.020 . 1 . . . . 17 H HE1 . 16397 1 126 . 1 1 20 20 CYS H H 1 8.373 0.020 . 1 . . . . 18 C H . 16397 1 127 . 1 1 20 20 CYS HA H 1 3.641 0.020 . 1 . . . . 18 C HA . 16397 1 128 . 1 1 20 20 CYS HB2 H 1 3.191 0.020 . 2 . . . . 18 C HB2 . 16397 1 129 . 1 1 20 20 CYS HB3 H 1 2.583 0.020 . 2 . . . . 18 C HB3 . 16397 1 130 . 1 1 21 21 GLY H H 1 9.084 0.020 . 1 . . . . 19 G H . 16397 1 131 . 1 1 21 21 GLY HA2 H 1 3.967 0.020 . 2 . . . . 19 G HA2 . 16397 1 132 . 1 1 21 21 GLY HA3 H 1 3.373 0.020 . 2 . . . . 19 G HA3 . 16397 1 133 . 1 1 22 22 VAL H H 1 7.825 0.020 . 1 . . . . 20 V H . 16397 1 134 . 1 1 22 22 VAL HA H 1 3.319 0.020 . 1 . . . . 20 V HA . 16397 1 135 . 1 1 22 22 VAL HB H 1 0.637 0.020 . 1 . . . . 20 V HB . 16397 1 136 . 1 1 22 22 VAL HG11 H 1 0.627 0.020 . . . . . . 20 V QG1 . 16397 1 137 . 1 1 22 22 VAL HG12 H 1 0.627 0.020 . . . . . . 20 V QG1 . 16397 1 138 . 1 1 22 22 VAL HG13 H 1 0.627 0.020 . . . . . . 20 V QG1 . 16397 1 139 . 1 1 22 22 VAL HG21 H 1 0.412 0.020 . . . . . . 20 V QG2 . 16397 1 140 . 1 1 22 22 VAL HG22 H 1 0.412 0.020 . . . . . . 20 V QG2 . 16397 1 141 . 1 1 22 22 VAL HG23 H 1 0.412 0.020 . . . . . . 20 V QG2 . 16397 1 142 . 1 1 23 23 ILE H H 1 8.154 0.020 . 1 . . . . 21 I H . 16397 1 143 . 1 1 23 23 ILE HA H 1 3.470 0.020 . 1 . . . . 21 I HA . 16397 1 144 . 1 1 23 23 ILE HB H 1 1.633 0.020 . 1 . . . . 21 I HB . 16397 1 145 . 1 1 23 23 ILE HD11 H 1 0.577 0.020 . . . . . . 21 I QD1 . 16397 1 146 . 1 1 23 23 ILE HD12 H 1 0.577 0.020 . . . . . . 21 I QD1 . 16397 1 147 . 1 1 23 23 ILE HD13 H 1 0.577 0.020 . . . . . . 21 I QD1 . 16397 1 148 . 1 1 23 23 ILE HG12 H 1 1.399 0.020 . 2 . . . . 21 I HG12 . 16397 1 149 . 1 1 23 23 ILE HG13 H 1 0.958 0.020 . 2 . . . . 21 I HG13 . 16397 1 150 . 1 1 23 23 ILE HG21 H 1 0.474 0.020 . . . . . . 21 I QG2 . 16397 1 151 . 1 1 23 23 ILE HG22 H 1 0.474 0.020 . . . . . . 21 I QG2 . 16397 1 152 . 1 1 23 23 ILE HG23 H 1 0.474 0.020 . . . . . . 21 I QG2 . 16397 1 153 . 1 1 24 24 ASP H H 1 7.771 0.020 . 1 . . . . 22 D H . 16397 1 154 . 1 1 24 24 ASP HA H 1 4.542 0.020 . 1 . . . . 22 D HA . 16397 1 155 . 1 1 24 24 ASP HB2 H 1 3.246 0.020 . 2 . . . . 22 D HB2 . 16397 1 156 . 1 1 24 24 ASP HB3 H 1 2.577 0.020 . 2 . . . . 22 D HB3 . 16397 1 157 . 1 1 25 25 LEU H H 1 8.731 0.020 . 1 . . . . 23 L H . 16397 1 158 . 1 1 25 25 LEU HA H 1 3.954 0.020 . 1 . . . . 23 L HA . 16397 1 159 . 1 1 25 25 LEU HB2 H 1 1.752 0.020 . 2 . . . . 23 L HB2 . 16397 1 160 . 1 1 25 25 LEU HB3 H 1 1.561 0.020 . 2 . . . . 23 L HB3 . 16397 1 161 . 1 1 25 25 LEU HD11 H 1 0.943 0.020 . . . . . . 23 L QD1 . 16397 1 162 . 1 1 25 25 LEU HD12 H 1 0.943 0.020 . . . . . . 23 L QD1 . 16397 1 163 . 1 1 25 25 LEU HD13 H 1 0.943 0.020 . . . . . . 23 L QD1 . 16397 1 164 . 1 1 25 25 LEU HD21 H 1 0.853 0.020 . . . . . . 23 L QD2 . 16397 1 165 . 1 1 25 25 LEU HD22 H 1 0.853 0.020 . . . . . . 23 L QD2 . 16397 1 166 . 1 1 25 25 LEU HD23 H 1 0.853 0.020 . . . . . . 23 L QD2 . 16397 1 167 . 1 1 25 25 LEU HG H 1 1.743 0.020 . 1 . . . . 23 L HG . 16397 1 168 . 1 1 26 26 ASP H H 1 8.514 0.020 . 1 . . . . 24 D H . 16397 1 169 . 1 1 26 26 ASP HA H 1 4.647 0.020 . 1 . . . . 24 D HA . 16397 1 170 . 1 1 26 26 ASP HB2 H 1 2.814 0.020 . 2 . . . . 24 D HB2 . 16397 1 171 . 1 1 26 26 ASP HB3 H 1 2.706 0.020 . 2 . . . . 24 D HB3 . 16397 1 172 . 1 1 27 27 THR H H 1 8.310 0.020 . 1 . . . . 25 T H . 16397 1 173 . 1 1 27 27 THR HA H 1 4.238 0.020 . 1 . . . . 25 T HA . 16397 1 174 . 1 1 27 27 THR HB H 1 4.264 0.020 . 1 . . . . 25 T HB . 16397 1 175 . 1 1 27 27 THR HG21 H 1 1.211 0.020 . . . . . . 25 T QG2 . 16397 1 176 . 1 1 27 27 THR HG22 H 1 1.211 0.020 . . . . . . 25 T QG2 . 16397 1 177 . 1 1 27 27 THR HG23 H 1 1.211 0.020 . . . . . . 25 T QG2 . 16397 1 178 . 1 1 28 28 LYS H H 1 8.328 0.020 . 1 . . . . 26 K H . 16397 1 179 . 1 1 28 28 LYS HA H 1 3.781 0.020 . 1 . . . . 26 K HA . 16397 1 180 . 1 1 28 28 LYS HB2 H 1 2.108 0.020 . 2 . . . . 26 K HB2 . 16397 1 181 . 1 1 28 28 LYS HB3 H 1 1.964 0.020 . 2 . . . . 26 K HB3 . 16397 1 182 . 1 1 28 28 LYS HD2 H 1 1.631 0.020 . 2 . . . . 26 K HD2 . 16397 1 183 . 1 1 28 28 LYS HD3 H 1 1.567 0.020 . 2 . . . . 26 K HD3 . 16397 1 184 . 1 1 28 28 LYS HE2 H 1 2.992 0.020 . 2 . . . . 26 K HE2 . 16397 1 185 . 1 1 28 28 LYS HE3 H 1 2.949 0.020 . 2 . . . . 26 K HE3 . 16397 1 186 . 1 1 28 28 LYS HG2 H 1 1.331 0.020 . 2 . . . . 26 K HG2 . 16397 1 187 . 1 1 28 28 LYS HG3 H 1 1.266 0.020 . 2 . . . . 26 K HG3 . 16397 1 188 . 1 1 29 29 LYS H H 1 7.835 0.020 . 1 . . . . 27 K H . 16397 1 189 . 1 1 29 29 LYS HA H 1 4.678 0.020 . 1 . . . . 27 K HA . 16397 1 190 . 1 1 29 29 LYS HB2 H 1 1.786 0.020 . 2 . . . . 27 K HB2 . 16397 1 191 . 1 1 29 29 LYS HB3 H 1 1.478 0.020 . 2 . . . . 27 K HB3 . 16397 1 192 . 1 1 29 29 LYS HD2 H 1 1.664 0.020 . 2 . . . . 27 K HD2 . 16397 1 193 . 1 1 29 29 LYS HD3 H 1 1.440 0.020 . 2 . . . . 27 K HD3 . 16397 1 194 . 1 1 29 29 LYS HE2 H 1 2.994 0.020 . 2 . . . . 27 K QE . 16397 1 195 . 1 1 29 29 LYS HE3 H 1 2.994 0.020 . 2 . . . . 27 K QE . 16397 1 196 . 1 1 29 29 LYS HG2 H 1 1.465 0.020 . 2 . . . . 27 K HG2 . 16397 1 197 . 1 1 29 29 LYS HG3 H 1 1.338 0.020 . 2 . . . . 27 K HG3 . 16397 1 198 . 1 1 30 30 PRO HA H 1 3.645 0.020 . 1 . . . . 28 P HA . 16397 1 199 . 1 1 30 30 PRO HB2 H 1 1.179 0.020 . 2 . . . . 28 P HB2 . 16397 1 200 . 1 1 30 30 PRO HB3 H 1 0.482 0.020 . 2 . . . . 28 P HB3 . 16397 1 201 . 1 1 30 30 PRO HD2 H 1 3.520 0.020 . 2 . . . . 28 P HD2 . 16397 1 202 . 1 1 30 30 PRO HD3 H 1 3.432 0.020 . 2 . . . . 28 P HD3 . 16397 1 203 . 1 1 30 30 PRO HG2 H 1 1.450 0.020 . 2 . . . . 28 P HG2 . 16397 1 204 . 1 1 30 30 PRO HG3 H 1 1.379 0.020 . 2 . . . . 28 P HG3 . 16397 1 205 . 1 1 31 31 CYS H H 1 8.139 0.020 . 1 . . . . 29 C H . 16397 1 206 . 1 1 31 31 CYS HA H 1 4.144 0.020 . 1 . . . . 29 C HA . 16397 1 207 . 1 1 31 31 CYS HB2 H 1 2.966 0.020 . 2 . . . . 29 C HB2 . 16397 1 208 . 1 1 31 31 CYS HB3 H 1 2.861 0.020 . 2 . . . . 29 C HB3 . 16397 1 209 . 1 1 32 32 THR H H 1 8.220 0.020 . 1 . . . . 30 T H . 16397 1 210 . 1 1 32 32 THR HA H 1 4.447 0.020 . 1 . . . . 30 T HA . 16397 1 211 . 1 1 32 32 THR HB H 1 4.064 0.020 . 1 . . . . 30 T HB . 16397 1 212 . 1 1 32 32 THR HG1 H 1 7.732 0.020 . 1 . . . . 30 T HG1 . 16397 1 213 . 1 1 32 32 THR HG21 H 1 0.895 0.020 . . . . . . 30 T QG2 . 16397 1 214 . 1 1 32 32 THR HG22 H 1 0.895 0.020 . . . . . . 30 T QG2 . 16397 1 215 . 1 1 32 32 THR HG23 H 1 0.895 0.020 . . . . . . 30 T QG2 . 16397 1 216 . 1 1 33 33 ARG H H 1 8.606 0.020 . 1 . . . . 31 R H . 16397 1 217 . 1 1 33 33 ARG HA H 1 4.581 0.020 . 1 . . . . 31 R HA . 16397 1 218 . 1 1 33 33 ARG HB2 H 1 2.449 0.020 . 2 . . . . 31 R HB2 . 16397 1 219 . 1 1 33 33 ARG HB3 H 1 2.154 0.020 . 2 . . . . 31 R HB3 . 16397 1 220 . 1 1 33 33 ARG HD2 H 1 3.610 0.020 . 2 . . . . 31 R HD2 . 16397 1 221 . 1 1 33 33 ARG HD3 H 1 3.440 0.020 . 2 . . . . 31 R HD3 . 16397 1 222 . 1 1 33 33 ARG HG2 H 1 2.027 0.020 . 2 . . . . 31 R HG2 . 16397 1 223 . 1 1 33 33 ARG HG3 H 1 1.806 0.020 . 2 . . . . 31 R HG3 . 16397 1 224 . 1 1 34 34 SER H H 1 8.258 0.020 . 1 . . . . 32 S H . 16397 1 225 . 1 1 34 34 SER HA H 1 4.780 0.020 . 1 . . . . 32 S HA . 16397 1 226 . 1 1 34 34 SER HB2 H 1 4.311 0.020 . 2 . . . . 32 S HB2 . 16397 1 227 . 1 1 34 34 SER HB3 H 1 4.035 0.020 . 2 . . . . 32 S HB3 . 16397 1 228 . 1 1 35 35 LEU H H 1 7.573 0.020 . 1 . . . . 33 L H . 16397 1 229 . 1 1 35 35 LEU HA H 1 3.914 0.020 . 1 . . . . 33 L HA . 16397 1 230 . 1 1 35 35 LEU HB2 H 1 1.421 0.020 . 2 . . . . 33 L HB2 . 16397 1 231 . 1 1 35 35 LEU HB3 H 1 1.241 0.020 . 2 . . . . 33 L HB3 . 16397 1 232 . 1 1 35 35 LEU HD11 H 1 0.648 0.020 . . . . . . 33 L QD1 . 16397 1 233 . 1 1 35 35 LEU HD12 H 1 0.648 0.020 . . . . . . 33 L QD1 . 16397 1 234 . 1 1 35 35 LEU HD13 H 1 0.648 0.020 . . . . . . 33 L QD1 . 16397 1 235 . 1 1 35 35 LEU HD21 H 1 0.648 0.020 . . . . . . 33 L QD2 . 16397 1 236 . 1 1 35 35 LEU HD22 H 1 0.648 0.020 . . . . . . 33 L QD2 . 16397 1 237 . 1 1 35 35 LEU HD23 H 1 0.648 0.020 . . . . . . 33 L QD2 . 16397 1 238 . 1 1 35 35 LEU HG H 1 1.531 0.020 . 1 . . . . 33 L HG . 16397 1 239 . 1 1 36 36 THR H H 1 7.501 0.020 . 1 . . . . 34 T H . 16397 1 240 . 1 1 36 36 THR HA H 1 4.139 0.020 . 1 . . . . 34 T HA . 16397 1 241 . 1 1 36 36 THR HB H 1 4.641 0.020 . 1 . . . . 34 T HB . 16397 1 242 . 1 1 36 36 THR HG21 H 1 1.102 0.020 . . . . . . 34 T QG2 . 16397 1 243 . 1 1 36 36 THR HG22 H 1 1.102 0.020 . . . . . . 34 T QG2 . 16397 1 244 . 1 1 36 36 THR HG23 H 1 1.102 0.020 . . . . . . 34 T QG2 . 16397 1 245 . 1 1 37 37 CYS H H 1 7.166 0.020 . 1 . . . . 35 C H . 16397 1 246 . 1 1 37 37 CYS HA H 1 3.970 0.020 . 1 . . . . 35 C HA . 16397 1 247 . 1 1 37 37 CYS HB2 H 1 3.381 0.020 . 2 . . . . 35 C HB2 . 16397 1 248 . 1 1 37 37 CYS HB3 H 1 3.144 0.020 . 2 . . . . 35 C HB3 . 16397 1 249 . 1 1 38 38 LYS H H 1 8.176 0.020 . 1 . . . . 36 K H . 16397 1 250 . 1 1 38 38 LYS HA H 1 4.405 0.020 . 1 . . . . 36 K HA . 16397 1 251 . 1 1 38 38 LYS HB2 H 1 1.986 0.020 . 2 . . . . 36 K HB2 . 16397 1 252 . 1 1 38 38 LYS HB3 H 1 1.783 0.020 . 2 . . . . 36 K HB3 . 16397 1 253 . 1 1 38 38 LYS HD2 H 1 1.733 0.020 . 2 . . . . 36 K QD . 16397 1 254 . 1 1 38 38 LYS HD3 H 1 1.733 0.020 . 2 . . . . 36 K QD . 16397 1 255 . 1 1 38 38 LYS HE2 H 1 3.222 0.020 . 2 . . . . 36 K HE2 . 16397 1 256 . 1 1 38 38 LYS HE3 H 1 3.070 0.020 . 2 . . . . 36 K HE3 . 16397 1 257 . 1 1 38 38 LYS HG2 H 1 1.668 0.020 . 2 . . . . 36 K HG2 . 16397 1 258 . 1 1 38 38 LYS HG3 H 1 1.556 0.020 . 2 . . . . 36 K HG3 . 16397 1 259 . 1 1 39 39 THR H H 1 9.209 0.020 . 1 . . . . 37 T H . 16397 1 260 . 1 1 39 39 THR HA H 1 3.907 0.020 . 1 . . . . 37 T HA . 16397 1 261 . 1 1 39 39 THR HB H 1 3.467 0.020 . 1 . . . . 37 T HB . 16397 1 262 . 1 1 39 39 THR HG21 H 1 0.566 0.020 . . . . . . 37 T QG2 . 16397 1 263 . 1 1 39 39 THR HG22 H 1 0.566 0.020 . . . . . . 37 T QG2 . 16397 1 264 . 1 1 39 39 THR HG23 H 1 0.566 0.020 . . . . . . 37 T QG2 . 16397 1 265 . 1 1 40 40 HIS H H 1 8.336 0.020 . 1 . . . . 38 H H . 16397 1 266 . 1 1 40 40 HIS HA H 1 4.806 0.020 . 1 . . . . 38 H HA . 16397 1 267 . 1 1 40 40 HIS HB2 H 1 2.971 0.020 . 2 . . . . 38 H HB2 . 16397 1 268 . 1 1 40 40 HIS HB3 H 1 2.860 0.020 . 2 . . . . 38 H HB3 . 16397 1 269 . 1 1 40 40 HIS HD2 H 1 7.202 0.020 . 1 . . . . 38 H HD2 . 16397 1 270 . 1 1 40 40 HIS HE1 H 1 7.961 0.020 . 1 . . . . 38 H HE1 . 16397 1 271 . 1 1 41 41 SER H H 1 9.107 0.020 . 1 . . . . 39 S H . 16397 1 272 . 1 1 41 41 SER HA H 1 4.467 0.020 . 1 . . . . 39 S HA . 16397 1 273 . 1 1 41 41 SER HB2 H 1 4.440 0.020 . 2 . . . . 39 S HB2 . 16397 1 274 . 1 1 41 41 SER HB3 H 1 4.100 0.020 . 2 . . . . 39 S HB3 . 16397 1 275 . 1 1 42 42 LEU H H 1 9.107 0.020 . 1 . . . . 40 L H . 16397 1 276 . 1 1 42 42 LEU HA H 1 3.905 0.020 . 1 . . . . 40 L HA . 16397 1 277 . 1 1 42 42 LEU HB2 H 1 1.791 0.020 . 2 . . . . 40 L HB2 . 16397 1 278 . 1 1 42 42 LEU HB3 H 1 1.649 0.020 . 2 . . . . 40 L HB3 . 16397 1 279 . 1 1 42 42 LEU HD11 H 1 1.084 0.020 . . . . . . 40 L QD1 . 16397 1 280 . 1 1 42 42 LEU HD12 H 1 1.084 0.020 . . . . . . 40 L QD1 . 16397 1 281 . 1 1 42 42 LEU HD13 H 1 1.084 0.020 . . . . . . 40 L QD1 . 16397 1 282 . 1 1 42 42 LEU HD21 H 1 1.044 0.020 . . . . . . 40 L QD2 . 16397 1 283 . 1 1 42 42 LEU HD22 H 1 1.044 0.020 . . . . . . 40 L QD2 . 16397 1 284 . 1 1 42 42 LEU HD23 H 1 1.044 0.020 . . . . . . 40 L QD2 . 16397 1 285 . 1 1 42 42 LEU HG H 1 1.672 0.020 . 1 . . . . 40 L HG . 16397 1 286 . 1 1 43 43 THR H H 1 8.108 0.020 . 1 . . . . 41 T H . 16397 1 287 . 1 1 43 43 THR HA H 1 3.762 0.020 . 1 . . . . 41 T HA . 16397 1 288 . 1 1 43 43 THR HB H 1 4.035 0.020 . 1 . . . . 41 T HB . 16397 1 289 . 1 1 43 43 THR HG21 H 1 1.214 0.020 . . . . . . 41 T QG2 . 16397 1 290 . 1 1 43 43 THR HG22 H 1 1.214 0.020 . . . . . . 41 T QG2 . 16397 1 291 . 1 1 43 43 THR HG23 H 1 1.214 0.020 . . . . . . 41 T QG2 . 16397 1 292 . 1 1 44 44 GLN H H 1 7.741 0.020 . 1 . . . . 42 Q H . 16397 1 293 . 1 1 44 44 GLN HA H 1 3.965 0.020 . 1 . . . . 42 Q HA . 16397 1 294 . 1 1 44 44 GLN HB2 H 1 2.302 0.020 . 2 . . . . 42 Q HB2 . 16397 1 295 . 1 1 44 44 GLN HB3 H 1 1.946 0.020 . 2 . . . . 42 Q HB3 . 16397 1 296 . 1 1 44 44 GLN HE21 H 1 7.640 0.020 . 2 . . . . 42 Q HE21 . 16397 1 297 . 1 1 44 44 GLN HE22 H 1 7.121 0.020 . 2 . . . . 42 Q HE22 . 16397 1 298 . 1 1 44 44 GLN HG2 H 1 2.459 0.020 . 2 . . . . 42 Q HG2 . 16397 1 299 . 1 1 44 44 GLN HG3 H 1 2.292 0.020 . 2 . . . . 42 Q HG3 . 16397 1 300 . 1 1 45 45 ARG H H 1 8.358 0.020 . 1 . . . . 43 R H . 16397 1 301 . 1 1 45 45 ARG HA H 1 3.518 0.020 . 1 . . . . 43 R HA . 16397 1 302 . 1 1 45 45 ARG HB2 H 1 1.421 0.020 . 2 . . . . 43 R HB2 . 16397 1 303 . 1 1 45 45 ARG HB3 H 1 0.762 0.020 . 2 . . . . 43 R HB3 . 16397 1 304 . 1 1 45 45 ARG HD2 H 1 3.886 0.020 . 2 . . . . 43 R HD2 . 16397 1 305 . 1 1 45 45 ARG HD3 H 1 3.270 0.020 . 2 . . . . 43 R HD3 . 16397 1 306 . 1 1 45 45 ARG HE H 1 5.811 0.020 . 1 . . . . 43 R HE . 16397 1 307 . 1 1 45 45 ARG HG2 H 1 2.192 0.020 . 2 . . . . 43 R HG2 . 16397 1 308 . 1 1 45 45 ARG HG3 H 1 1.279 0.020 . 2 . . . . 43 R HG3 . 16397 1 309 . 1 1 46 46 ARG H H 1 8.503 0.020 . 1 . . . . 44 R H . 16397 1 310 . 1 1 46 46 ARG HA H 1 3.624 0.020 . 1 . . . . 44 R HA . 16397 1 311 . 1 1 46 46 ARG HB2 H 1 1.984 0.020 . 2 . . . . 44 R HB2 . 16397 1 312 . 1 1 46 46 ARG HB3 H 1 1.773 0.020 . 2 . . . . 44 R HB3 . 16397 1 313 . 1 1 46 46 ARG HD2 H 1 3.201 0.020 . 2 . . . . 44 R HD2 . 16397 1 314 . 1 1 46 46 ARG HD3 H 1 3.052 0.020 . 2 . . . . 44 R HD3 . 16397 1 315 . 1 1 46 46 ARG HE H 1 8.645 0.020 . 1 . . . . 44 R HE . 16397 1 316 . 1 1 46 46 ARG HG2 H 1 1.827 0.020 . 2 . . . . 44 R HG2 . 16397 1 317 . 1 1 46 46 ARG HG3 H 1 1.796 0.020 . 2 . . . . 44 R HG3 . 16397 1 318 . 1 1 47 47 ALA H H 1 7.056 0.020 . 1 . . . . 45 A H . 16397 1 319 . 1 1 47 47 ALA HA H 1 4.338 0.020 . 1 . . . . 45 A HA . 16397 1 320 . 1 1 47 47 ALA HB1 H 1 1.478 0.020 . . . . . . 45 A QB . 16397 1 321 . 1 1 47 47 ALA HB2 H 1 1.478 0.020 . . . . . . 45 A QB . 16397 1 322 . 1 1 47 47 ALA HB3 H 1 1.478 0.020 . . . . . . 45 A QB . 16397 1 323 . 1 1 48 48 VAL H H 1 6.753 0.020 . 1 . . . . 46 V H . 16397 1 324 . 1 1 48 48 VAL HA H 1 3.751 0.020 . 1 . . . . 46 V HA . 16397 1 325 . 1 1 48 48 VAL HB H 1 1.963 0.020 . 1 . . . . 46 V HB . 16397 1 326 . 1 1 48 48 VAL HG11 H 1 1.147 0.020 . . . . . . 46 V QG1 . 16397 1 327 . 1 1 48 48 VAL HG12 H 1 1.147 0.020 . . . . . . 46 V QG1 . 16397 1 328 . 1 1 48 48 VAL HG13 H 1 1.147 0.020 . . . . . . 46 V QG1 . 16397 1 329 . 1 1 48 48 VAL HG21 H 1 1.089 0.020 . . . . . . 46 V QG2 . 16397 1 330 . 1 1 48 48 VAL HG22 H 1 1.089 0.020 . . . . . . 46 V QG2 . 16397 1 331 . 1 1 48 48 VAL HG23 H 1 1.089 0.020 . . . . . . 46 V QG2 . 16397 1 332 . 1 1 49 49 GLN H H 1 9.043 0.020 . 1 . . . . 47 Q H . 16397 1 333 . 1 1 49 49 GLN HA H 1 4.554 0.020 . 1 . . . . 47 Q HA . 16397 1 334 . 1 1 49 49 GLN HB2 H 1 2.239 0.020 . 2 . . . . 47 Q HB2 . 16397 1 335 . 1 1 49 49 GLN HB3 H 1 2.034 0.020 . 2 . . . . 47 Q HB3 . 16397 1 336 . 1 1 49 49 GLN HE21 H 1 7.512 0.020 . 2 . . . . 47 Q HE21 . 16397 1 337 . 1 1 49 49 GLN HE22 H 1 6.941 0.020 . 2 . . . . 47 Q HE22 . 16397 1 338 . 1 1 49 49 GLN HG2 H 1 2.528 0.020 . 2 . . . . 47 Q HG2 . 16397 1 339 . 1 1 49 49 GLN HG3 H 1 2.489 0.020 . 2 . . . . 47 Q HG3 . 16397 1 340 . 1 1 50 50 GLY H H 1 8.473 0.020 . 1 . . . . 48 G H . 16397 1 341 . 1 1 50 50 GLY HA2 H 1 4.199 0.020 . 2 . . . . 48 G HA2 . 16397 1 342 . 1 1 50 50 GLY HA3 H 1 3.686 0.020 . 2 . . . . 48 G HA3 . 16397 1 343 . 1 1 51 51 ARG H H 1 8.427 0.020 . 1 . . . . 49 R H . 16397 1 344 . 1 1 51 51 ARG HA H 1 4.309 0.020 . 1 . . . . 49 R HA . 16397 1 345 . 1 1 51 51 ARG HB2 H 1 2.077 0.020 . 2 . . . . 49 R HB2 . 16397 1 346 . 1 1 51 51 ARG HB3 H 1 1.890 0.020 . 2 . . . . 49 R HB3 . 16397 1 347 . 1 1 51 51 ARG HD2 H 1 3.517 0.020 . 2 . . . . 49 R HD2 . 16397 1 348 . 1 1 51 51 ARG HD3 H 1 3.037 0.020 . 2 . . . . 49 R HD3 . 16397 1 349 . 1 1 51 51 ARG HE H 1 8.115 0.020 . 1 . . . . 49 R HE . 16397 1 350 . 1 1 51 51 ARG HG2 H 1 1.832 0.020 . 2 . . . . 49 R HG2 . 16397 1 351 . 1 1 51 51 ARG HG3 H 1 1.525 0.020 . 2 . . . . 49 R HG3 . 16397 1 352 . 1 1 51 51 ARG HH11 H 1 8.387 0.020 . 2 . . . . 49 R HH11 . 16397 1 353 . 1 1 51 51 ARG HH12 H 1 7.580 0.020 . 2 . . . . 49 R HH12 . 16397 1 354 . 1 1 51 51 ARG HH21 H 1 8.462 0.020 . 2 . . . . 49 R HH21 . 16397 1 355 . 1 1 51 51 ARG HH22 H 1 6.726 0.020 . 2 . . . . 49 R HH22 . 16397 1 356 . 1 1 52 52 ARG H H 1 10.383 0.020 . 1 . . . . 50 R H . 16397 1 357 . 1 1 52 52 ARG HA H 1 4.146 0.020 . 1 . . . . 50 R HA . 16397 1 358 . 1 1 52 52 ARG HB2 H 1 2.154 0.020 . 2 . . . . 50 R HB2 . 16397 1 359 . 1 1 52 52 ARG HB3 H 1 1.893 0.020 . 2 . . . . 50 R HB3 . 16397 1 360 . 1 1 52 52 ARG HD2 H 1 3.204 0.020 . 2 . . . . 50 R QD . 16397 1 361 . 1 1 52 52 ARG HD3 H 1 3.204 0.020 . 2 . . . . 50 R QD . 16397 1 362 . 1 1 52 52 ARG HG2 H 1 1.665 0.020 . 2 . . . . 50 R HG2 . 16397 1 363 . 1 1 52 52 ARG HG3 H 1 1.613 0.020 . 2 . . . . 50 R HG3 . 16397 1 364 . 1 1 53 53 LYS H H 1 7.371 0.020 . 1 . . . . 51 K H . 16397 1 365 . 1 1 53 53 LYS HA H 1 4.497 0.020 . 1 . . . . 51 K HA . 16397 1 366 . 1 1 53 53 LYS HB2 H 1 1.860 0.020 . 2 . . . . 51 K HB2 . 16397 1 367 . 1 1 53 53 LYS HB3 H 1 1.422 0.020 . 2 . . . . 51 K HB3 . 16397 1 368 . 1 1 53 53 LYS HD2 H 1 1.470 0.020 . 2 . . . . 51 K HD2 . 16397 1 369 . 1 1 53 53 LYS HD3 H 1 1.536 0.020 . 2 . . . . 51 K HD3 . 16397 1 370 . 1 1 53 53 LYS HE2 H 1 2.878 0.020 . 2 . . . . 51 K QE . 16397 1 371 . 1 1 53 53 LYS HE3 H 1 2.878 0.020 . 2 . . . . 51 K QE . 16397 1 372 . 1 1 53 53 LYS HG2 H 1 1.407 0.020 . 2 . . . . 51 K HG2 . 16397 1 373 . 1 1 53 53 LYS HG3 H 1 1.333 0.020 . 2 . . . . 51 K HG3 . 16397 1 374 . 1 1 54 54 ARG H H 1 8.334 0.020 . 1 . . . . 52 R H . 16397 1 375 . 1 1 54 54 ARG HA H 1 4.217 0.020 . 1 . . . . 52 R HA . 16397 1 376 . 1 1 54 54 ARG HB2 H 1 2.136 0.020 . 2 . . . . 52 R HB2 . 16397 1 377 . 1 1 54 54 ARG HB3 H 1 1.919 0.020 . 2 . . . . 52 R HB3 . 16397 1 378 . 1 1 54 54 ARG HD2 H 1 3.371 0.020 . 2 . . . . 52 R QD . 16397 1 379 . 1 1 54 54 ARG HD3 H 1 3.371 0.020 . 2 . . . . 52 R QD . 16397 1 380 . 1 1 54 54 ARG HG2 H 1 1.922 0.020 . 2 . . . . 52 R HG2 . 16397 1 381 . 1 1 54 54 ARG HG3 H 1 1.847 0.020 . 2 . . . . 52 R HG3 . 16397 1 382 . 1 1 55 55 PHE H H 1 9.379 0.020 . 1 . . . . 53 F H . 16397 1 383 . 1 1 55 55 PHE HA H 1 3.927 0.020 . 1 . . . . 53 F HA . 16397 1 384 . 1 1 55 55 PHE HB2 H 1 3.504 0.020 . 2 . . . . 53 F HB2 . 16397 1 385 . 1 1 55 55 PHE HB3 H 1 3.026 0.020 . 2 . . . . 53 F HB3 . 16397 1 386 . 1 1 55 55 PHE HD1 H 1 7.119 0.020 . 3 . . . . 53 F QD . 16397 1 387 . 1 1 55 55 PHE HD2 H 1 7.119 0.020 . 3 . . . . 53 F QD . 16397 1 388 . 1 1 55 55 PHE HE1 H 1 7.343 0.020 . 3 . . . . 53 F QE . 16397 1 389 . 1 1 55 55 PHE HE2 H 1 7.343 0.020 . 3 . . . . 53 F QE . 16397 1 390 . 1 1 55 55 PHE HZ H 1 7.525 0.020 . 1 . . . . 53 F HZ . 16397 1 391 . 1 1 56 56 ASP H H 1 8.988 0.020 . 1 . . . . 54 D H . 16397 1 392 . 1 1 56 56 ASP HA H 1 3.970 0.020 . 1 . . . . 54 D HA . 16397 1 393 . 1 1 56 56 ASP HB2 H 1 2.691 0.020 . 2 . . . . 54 D HB2 . 16397 1 394 . 1 1 56 56 ASP HB3 H 1 2.475 0.020 . 2 . . . . 54 D HB3 . 16397 1 395 . 1 1 57 57 VAL H H 1 7.143 0.020 . 1 . . . . 55 V H . 16397 1 396 . 1 1 57 57 VAL HA H 1 3.737 0.020 . 1 . . . . 55 V HA . 16397 1 397 . 1 1 57 57 VAL HB H 1 2.210 0.020 . 1 . . . . 55 V HB . 16397 1 398 . 1 1 57 57 VAL HG11 H 1 1.027 0.020 . . . . . . 55 V QG1 . 16397 1 399 . 1 1 57 57 VAL HG12 H 1 1.027 0.020 . . . . . . 55 V QG1 . 16397 1 400 . 1 1 57 57 VAL HG13 H 1 1.027 0.020 . . . . . . 55 V QG1 . 16397 1 401 . 1 1 57 57 VAL HG21 H 1 0.943 0.020 . . . . . . 55 V QG2 . 16397 1 402 . 1 1 57 57 VAL HG22 H 1 0.943 0.020 . . . . . . 55 V QG2 . 16397 1 403 . 1 1 57 57 VAL HG23 H 1 0.943 0.020 . . . . . . 55 V QG2 . 16397 1 404 . 1 1 58 58 LEU H H 1 7.670 0.020 . 1 . . . . 56 L H . 16397 1 405 . 1 1 58 58 LEU HA H 1 3.914 0.020 . 1 . . . . 56 L HA . 16397 1 406 . 1 1 58 58 LEU HB2 H 1 1.668 0.020 . 2 . . . . 56 L HB2 . 16397 1 407 . 1 1 58 58 LEU HB3 H 1 1.379 0.020 . 2 . . . . 56 L HB3 . 16397 1 408 . 1 1 58 58 LEU HD11 H 1 0.645 0.020 . . . . . . 56 L QD1 . 16397 1 409 . 1 1 58 58 LEU HD12 H 1 0.645 0.020 . . . . . . 56 L QD1 . 16397 1 410 . 1 1 58 58 LEU HD13 H 1 0.645 0.020 . . . . . . 56 L QD1 . 16397 1 411 . 1 1 58 58 LEU HD21 H 1 0.934 0.020 . . . . . . 56 L QD2 . 16397 1 412 . 1 1 58 58 LEU HD22 H 1 0.934 0.020 . . . . . . 56 L QD2 . 16397 1 413 . 1 1 58 58 LEU HD23 H 1 0.934 0.020 . . . . . . 56 L QD2 . 16397 1 414 . 1 1 58 58 LEU HG H 1 1.035 0.020 . 1 . . . . 56 L HG . 16397 1 415 . 1 1 59 59 LEU H H 1 8.661 0.020 . 1 . . . . 57 L H . 16397 1 416 . 1 1 59 59 LEU HA H 1 3.734 0.020 . 1 . . . . 57 L HA . 16397 1 417 . 1 1 59 59 LEU HB2 H 1 1.415 0.020 . 2 . . . . 57 L HB2 . 16397 1 418 . 1 1 59 59 LEU HB3 H 1 0.645 0.020 . 2 . . . . 57 L HB3 . 16397 1 419 . 1 1 59 59 LEU HD11 H 1 1.368 0.020 . . . . . . 57 L QD1 . 16397 1 420 . 1 1 59 59 LEU HD12 H 1 1.368 0.020 . . . . . . 57 L QD1 . 16397 1 421 . 1 1 59 59 LEU HD13 H 1 1.368 0.020 . . . . . . 57 L QD1 . 16397 1 422 . 1 1 59 59 LEU HD21 H 1 0.755 0.020 . . . . . . 57 L QD2 . 16397 1 423 . 1 1 59 59 LEU HD22 H 1 0.755 0.020 . . . . . . 57 L QD2 . 16397 1 424 . 1 1 59 59 LEU HD23 H 1 0.755 0.020 . . . . . . 57 L QD2 . 16397 1 425 . 1 1 59 59 LEU HG H 1 0.889 0.020 . 1 . . . . 57 L HG . 16397 1 426 . 1 1 60 60 ALA H H 1 7.317 0.020 . 1 . . . . 58 A H . 16397 1 427 . 1 1 60 60 ALA HA H 1 4.040 0.020 . 1 . . . . 58 A HA . 16397 1 428 . 1 1 60 60 ALA HB1 H 1 1.501 0.020 . . . . . . 58 A QB . 16397 1 429 . 1 1 60 60 ALA HB2 H 1 1.501 0.020 . . . . . . 58 A QB . 16397 1 430 . 1 1 60 60 ALA HB3 H 1 1.501 0.020 . . . . . . 58 A QB . 16397 1 431 . 1 1 61 61 GLU H H 1 8.062 0.020 . 1 . . . . 59 E H . 16397 1 432 . 1 1 61 61 GLU HA H 1 4.036 0.020 . 1 . . . . 59 E HA . 16397 1 433 . 1 1 61 61 GLU HB2 H 1 2.089 0.020 . 2 . . . . 59 E HB2 . 16397 1 434 . 1 1 61 61 GLU HB3 H 1 1.988 0.020 . 2 . . . . 59 E HB3 . 16397 1 435 . 1 1 61 61 GLU HG2 H 1 2.544 0.020 . 2 . . . . 59 E HG2 . 16397 1 436 . 1 1 61 61 GLU HG3 H 1 2.186 0.020 . 2 . . . . 59 E HG3 . 16397 1 437 . 1 1 62 62 HIS H H 1 8.158 0.020 . 1 . . . . 60 H H . 16397 1 438 . 1 1 62 62 HIS HA H 1 4.322 0.020 . 1 . . . . 60 H HA . 16397 1 439 . 1 1 62 62 HIS HB2 H 1 3.341 0.020 . 2 . . . . 60 H HB2 . 16397 1 440 . 1 1 62 62 HIS HB3 H 1 3.181 0.020 . 2 . . . . 60 H HB3 . 16397 1 441 . 1 1 62 62 HIS HD2 H 1 6.778 0.020 . 1 . . . . 60 H HD2 . 16397 1 442 . 1 1 62 62 HIS HE1 H 1 7.853 0.020 . 1 . . . . 60 H HE1 . 16397 1 443 . 1 1 63 63 LYS H H 1 8.413 0.020 . 1 . . . . 61 K H . 16397 1 444 . 1 1 63 63 LYS HA H 1 3.939 0.020 . 1 . . . . 61 K HA . 16397 1 445 . 1 1 63 63 LYS HB2 H 1 1.851 0.020 . 2 . . . . 61 K HB2 . 16397 1 446 . 1 1 63 63 LYS HB3 H 1 1.831 0.020 . 2 . . . . 61 K HB3 . 16397 1 447 . 1 1 63 63 LYS HD2 H 1 1.673 0.020 . 2 . . . . 61 K HD2 . 16397 1 448 . 1 1 63 63 LYS HD3 H 1 1.553 0.020 . 2 . . . . 61 K HD3 . 16397 1 449 . 1 1 63 63 LYS HE2 H 1 2.993 0.020 . 2 . . . . 61 K HE2 . 16397 1 450 . 1 1 63 63 LYS HE3 H 1 2.949 0.020 . 2 . . . . 61 K HE3 . 16397 1 451 . 1 1 63 63 LYS HG2 H 1 1.662 0.020 . 2 . . . . 61 K HG2 . 16397 1 452 . 1 1 63 63 LYS HG3 H 1 1.458 0.020 . 2 . . . . 61 K HG3 . 16397 1 453 . 1 1 64 64 ASN H H 1 7.962 0.020 . 1 . . . . 62 N H . 16397 1 454 . 1 1 64 64 ASN HA H 1 4.568 0.020 . 1 . . . . 62 N HA . 16397 1 455 . 1 1 64 64 ASN HB2 H 1 2.871 0.020 . 2 . . . . 62 N HB2 . 16397 1 456 . 1 1 64 64 ASN HB3 H 1 2.834 0.020 . 2 . . . . 62 N HB3 . 16397 1 457 . 1 1 64 64 ASN HD21 H 1 7.653 0.020 . 2 . . . . 62 N HD21 . 16397 1 458 . 1 1 64 64 ASN HD22 H 1 6.940 0.020 . 2 . . . . 62 N HD22 . 16397 1 459 . 1 1 65 65 LYS H H 1 7.924 0.020 . 1 . . . . 63 K H . 16397 1 460 . 1 1 65 65 LYS HA H 1 4.213 0.020 . 1 . . . . 63 K HA . 16397 1 461 . 1 1 65 65 LYS HB2 H 1 1.891 0.020 . 2 . . . . 63 K HB2 . 16397 1 462 . 1 1 65 65 LYS HB3 H 1 1.865 0.020 . 2 . . . . 63 K HB3 . 16397 1 463 . 1 1 65 65 LYS HD2 H 1 1.850 0.020 . 2 . . . . 63 K HD2 . 16397 1 464 . 1 1 65 65 LYS HD3 H 1 1.671 0.020 . 2 . . . . 63 K HD3 . 16397 1 465 . 1 1 65 65 LYS HE2 H 1 2.996 0.020 . 2 . . . . 63 K QE . 16397 1 466 . 1 1 65 65 LYS HE3 H 1 2.996 0.020 . 2 . . . . 63 K QE . 16397 1 467 . 1 1 65 65 LYS HG2 H 1 1.530 0.020 . 2 . . . . 63 K HG2 . 16397 1 468 . 1 1 65 65 LYS HG3 H 1 1.447 0.020 . 2 . . . . 63 K HG3 . 16397 1 469 . 1 1 66 66 THR H H 1 7.922 0.020 . 1 . . . . 64 T H . 16397 1 470 . 1 1 66 66 THR HA H 1 4.157 0.020 . 1 . . . . 64 T HA . 16397 1 471 . 1 1 66 66 THR HB H 1 4.198 0.020 . 1 . . . . 64 T HB . 16397 1 472 . 1 1 66 66 THR HG21 H 1 1.134 0.020 . . . . . . 64 T QG2 . 16397 1 473 . 1 1 66 66 THR HG22 H 1 1.134 0.020 . . . . . . 64 T QG2 . 16397 1 474 . 1 1 66 66 THR HG23 H 1 1.134 0.020 . . . . . . 64 T QG2 . 16397 1 475 . 1 1 67 67 ARG H H 1 7.981 0.020 . 1 . . . . 65 R H . 16397 1 476 . 1 1 67 67 ARG HA H 1 4.255 0.020 . 1 . . . . 65 R HA . 16397 1 477 . 1 1 67 67 ARG HB2 H 1 1.902 0.020 . 2 . . . . 65 R HB2 . 16397 1 478 . 1 1 67 67 ARG HB3 H 1 1.847 0.020 . 2 . . . . 65 R HB3 . 16397 1 479 . 1 1 67 67 ARG HD2 H 1 3.215 0.020 . 2 . . . . 65 R QD . 16397 1 480 . 1 1 67 67 ARG HD3 H 1 3.215 0.020 . 2 . . . . 65 R QD . 16397 1 481 . 1 1 67 67 ARG HG2 H 1 1.683 0.020 . 2 . . . . 65 R HG2 . 16397 1 482 . 1 1 67 67 ARG HG3 H 1 1.643 0.020 . 2 . . . . 65 R HG3 . 16397 1 483 . 1 1 68 68 GLU H H 1 8.264 0.020 . 1 . . . . 66 E H . 16397 1 484 . 1 1 68 68 GLU HA H 1 4.162 0.020 . 1 . . . . 66 E HA . 16397 1 485 . 1 1 68 68 GLU HB2 H 1 2.062 0.020 . 2 . . . . 66 E HB2 . 16397 1 486 . 1 1 68 68 GLU HB3 H 1 2.000 0.020 . 2 . . . . 66 E HB3 . 16397 1 487 . 1 1 68 68 GLU HG2 H 1 2.337 0.020 . 2 . . . . 66 E HG2 . 16397 1 488 . 1 1 68 68 GLU HG3 H 1 2.260 0.020 . 2 . . . . 66 E HG3 . 16397 1 489 . 1 1 69 69 LYS H H 1 8.140 0.020 . 1 . . . . 67 K H . 16397 1 490 . 1 1 69 69 LYS HA H 1 4.233 0.020 . 1 . . . . 67 K HA . 16397 1 491 . 1 1 69 69 LYS HB2 H 1 1.859 0.020 . 2 . . . . 67 K HB2 . 16397 1 492 . 1 1 69 69 LYS HB3 H 1 1.815 0.020 . 2 . . . . 67 K HB3 . 16397 1 493 . 1 1 69 69 LYS HD2 H 1 1.498 0.020 . 2 . . . . 67 K HD2 . 16397 1 494 . 1 1 69 69 LYS HD3 H 1 1.443 0.020 . 2 . . . . 67 K HD3 . 16397 1 495 . 1 1 69 69 LYS HE2 H 1 3.009 0.020 . 2 . . . . 67 K QE . 16397 1 496 . 1 1 69 69 LYS HE3 H 1 3.009 0.020 . 2 . . . . 67 K QE . 16397 1 497 . 1 1 69 69 LYS HG2 H 1 1.756 0.020 . 2 . . . . 67 K HG2 . 16397 1 498 . 1 1 69 69 LYS HG3 H 1 1.700 0.020 . 2 . . . . 67 K HG3 . 16397 1 499 . 1 1 70 70 GLU H H 1 8.208 0.020 . 1 . . . . 68 E H . 16397 1 500 . 1 1 70 70 GLU HA H 1 4.223 0.020 . 1 . . . . 68 E HA . 16397 1 501 . 1 1 70 70 GLU HB2 H 1 2.048 0.020 . 2 . . . . 68 E HB2 . 16397 1 502 . 1 1 70 70 GLU HB3 H 1 1.980 0.020 . 2 . . . . 68 E HB3 . 16397 1 503 . 1 1 70 70 GLU HG2 H 1 2.319 0.020 . 2 . . . . 68 E HG2 . 16397 1 504 . 1 1 70 70 GLU HG3 H 1 2.240 0.020 . 2 . . . . 68 E HG3 . 16397 1 505 . 1 1 71 71 LEU H H 1 8.099 0.020 . 1 . . . . 69 L H . 16397 1 506 . 1 1 71 71 LEU HA H 1 4.312 0.020 . 1 . . . . 69 L HA . 16397 1 507 . 1 1 71 71 LEU HB2 H 1 1.664 0.020 . 2 . . . . 69 L HB2 . 16397 1 508 . 1 1 71 71 LEU HB3 H 1 1.582 0.020 . 2 . . . . 69 L HB3 . 16397 1 509 . 1 1 71 71 LEU HD11 H 1 0.925 0.020 . . . . . . 69 L QD1 . 16397 1 510 . 1 1 71 71 LEU HD12 H 1 0.925 0.020 . . . . . . 69 L QD1 . 16397 1 511 . 1 1 71 71 LEU HD13 H 1 0.925 0.020 . . . . . . 69 L QD1 . 16397 1 512 . 1 1 71 71 LEU HD21 H 1 0.869 0.020 . . . . . . 69 L QD2 . 16397 1 513 . 1 1 71 71 LEU HD22 H 1 0.869 0.020 . . . . . . 69 L QD2 . 16397 1 514 . 1 1 71 71 LEU HD23 H 1 0.869 0.020 . . . . . . 69 L QD2 . 16397 1 515 . 1 1 71 71 LEU HG H 1 1.547 0.020 . 1 . . . . 69 L HG . 16397 1 516 . 1 1 72 72 ILE H H 1 7.985 0.020 . 1 . . . . 70 I H . 16397 1 517 . 1 1 72 72 ILE HA H 1 4.116 0.020 . 1 . . . . 70 I HA . 16397 1 518 . 1 1 72 72 ILE HB H 1 1.825 0.020 . 1 . . . . 70 I HB . 16397 1 519 . 1 1 72 72 ILE HD11 H 1 0.853 0.020 . . . . . . 70 I QD1 . 16397 1 520 . 1 1 72 72 ILE HD12 H 1 0.853 0.020 . . . . . . 70 I QD1 . 16397 1 521 . 1 1 72 72 ILE HD13 H 1 0.853 0.020 . . . . . . 70 I QD1 . 16397 1 522 . 1 1 72 72 ILE HG12 H 1 1.466 0.020 . 2 . . . . 70 I HG12 . 16397 1 523 . 1 1 72 72 ILE HG13 H 1 1.186 0.020 . 2 . . . . 70 I HG13 . 16397 1 524 . 1 1 72 72 ILE HG21 H 1 0.797 0.020 . . . . . . 70 I QG2 . 16397 1 525 . 1 1 72 72 ILE HG22 H 1 0.797 0.020 . . . . . . 70 I QG2 . 16397 1 526 . 1 1 72 72 ILE HG23 H 1 0.797 0.020 . . . . . . 70 I QG2 . 16397 1 527 . 1 1 73 73 ARG H H 1 8.324 0.020 . 1 . . . . 71 R H . 16397 1 528 . 1 1 73 73 ARG HA H 1 4.346 0.020 . 1 . . . . 71 R HA . 16397 1 529 . 1 1 73 73 ARG HB2 H 1 1.835 0.020 . 2 . . . . 71 R HB2 . 16397 1 530 . 1 1 73 73 ARG HB3 H 1 1.720 0.020 . 2 . . . . 71 R HB3 . 16397 1 531 . 1 1 73 73 ARG HD2 H 1 3.192 0.020 . 2 . . . . 71 R QD . 16397 1 532 . 1 1 73 73 ARG HD3 H 1 3.192 0.020 . 2 . . . . 71 R QD . 16397 1 533 . 1 1 73 73 ARG HG2 H 1 1.635 0.020 . 2 . . . . 71 R HG2 . 16397 1 534 . 1 1 73 73 ARG HG3 H 1 1.590 0.020 . 2 . . . . 71 R HG3 . 16397 1 535 . 1 1 74 74 HIS H H 1 8.076 0.020 . 1 . . . . 72 H H . 16397 1 536 . 1 1 74 74 HIS HA H 1 4.462 0.020 . 1 . . . . 72 H HA . 16397 1 537 . 1 1 74 74 HIS HB2 H 1 3.200 0.020 . 2 . . . . 72 H HB2 . 16397 1 538 . 1 1 74 74 HIS HB3 H 1 3.057 0.020 . 2 . . . . 72 H HB3 . 16397 1 539 . 1 1 74 74 HIS HD2 H 1 7.153 0.020 . 1 . . . . 72 H HD2 . 16397 1 540 . 1 1 74 74 HIS HE1 H 1 8.262 0.020 . 1 . . . . 72 H HE1 . 16397 1 stop_ save_