################################### # 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 19513 _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 1 '3D backbone' 1 $sample_1 . 19513 1 2 '3D C(CO)NH,H(CCO)NH,HCCH-TOCSY' 1 $sample_1 . 19513 1 6 '2D 1H-1H NOESY,TOCSY' 3 $sample_3 . 19513 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 GLU HA H 1 3.956 0.000 . 1 . . . A 657 GLU HA . 19513 1 2 . 1 1 1 1 GLU HB2 H 1 2.089 0.000 . 2 . . . A 657 GLU HB2 . 19513 1 3 . 1 1 1 1 GLU HB3 H 1 2.017 0.000 . 2 . . . A 657 GLU HB3 . 19513 1 4 . 1 1 1 1 GLU HG2 H 1 2.371 0.000 . 1 . . . A 657 GLU HG2 . 19513 1 5 . 1 1 1 1 GLU HG3 H 1 2.371 0.000 . 1 . . . A 657 GLU HG3 . 19513 1 6 . 1 1 1 1 GLU CA C 13 56.202 0.000 . 1 . . . A 657 GLU CA . 19513 1 7 . 1 1 1 1 GLU CB C 13 30.997 0.000 . 1 . . . A 657 GLU CB . 19513 1 8 . 1 1 1 1 GLU CG C 13 36.151 0.000 . 1 . . . A 657 GLU CG . 19513 1 9 . 1 1 2 2 LYS HA H 1 4.287 0.000 . 1 . . . A 658 LYS HA . 19513 1 10 . 1 1 2 2 LYS HB2 H 1 1.796 0.000 . 1 . . . A 658 LYS HB2 . 19513 1 11 . 1 1 2 2 LYS HB3 H 1 1.796 0.000 . 1 . . . A 658 LYS HB3 . 19513 1 12 . 1 1 2 2 LYS HG2 H 1 1.420 0.000 . 1 . . . A 658 LYS HG2 . 19513 1 13 . 1 1 2 2 LYS HG3 H 1 1.420 0.000 . 1 . . . A 658 LYS HG3 . 19513 1 14 . 1 1 2 2 LYS HD2 H 1 1.673 0.000 . 1 . . . A 658 LYS HD2 . 19513 1 15 . 1 1 2 2 LYS HD3 H 1 1.673 0.000 . 1 . . . A 658 LYS HD3 . 19513 1 16 . 1 1 2 2 LYS HE2 H 1 2.976 0.000 . 1 . . . A 658 LYS HE2 . 19513 1 17 . 1 1 2 2 LYS HE3 H 1 2.976 0.000 . 1 . . . A 658 LYS HE3 . 19513 1 18 . 1 1 2 2 LYS C C 13 175.629 0.000 . 1 . . . A 658 LYS C . 19513 1 19 . 1 1 2 2 LYS CA C 13 56.645 0.000 . 1 . . . A 658 LYS CA . 19513 1 20 . 1 1 2 2 LYS CB C 13 32.996 0.000 . 1 . . . A 658 LYS CB . 19513 1 21 . 1 1 2 2 LYS CG C 13 24.757 0.000 . 1 . . . A 658 LYS CG . 19513 1 22 . 1 1 2 2 LYS CD C 13 29.233 0.000 . 1 . . . A 658 LYS CD . 19513 1 23 . 1 1 2 2 LYS CE C 13 42.210 0.000 . 1 . . . A 658 LYS CE . 19513 1 24 . 1 1 3 3 ASP H H 1 8.348 0.000 . 1 . . . A 659 ASP H . 19513 1 25 . 1 1 3 3 ASP HA H 1 4.598 0.000 . 1 . . . A 659 ASP HA . 19513 1 26 . 1 1 3 3 ASP HB2 H 1 2.740 0.000 . 2 . . . A 659 ASP HB2 . 19513 1 27 . 1 1 3 3 ASP HB3 H 1 2.580 0.000 . 2 . . . A 659 ASP HB3 . 19513 1 28 . 1 1 3 3 ASP C C 13 176.474 0.000 . 1 . . . A 659 ASP C . 19513 1 29 . 1 1 3 3 ASP CA C 13 54.221 0.000 . 1 . . . A 659 ASP CA . 19513 1 30 . 1 1 3 3 ASP CB C 13 41.329 0.000 . 1 . . . A 659 ASP CB . 19513 1 31 . 1 1 3 3 ASP N N 15 121.467 0.000 . 1 . . . A 659 ASP N . 19513 1 32 . 1 1 4 4 LEU H H 1 8.501 0.000 . 1 . . . A 660 LEU H . 19513 1 33 . 1 1 4 4 LEU HA H 1 4.214 0.000 . 1 . . . A 660 LEU HA . 19513 1 34 . 1 1 4 4 LEU HB2 H 1 1.719 0.000 . 2 . . . A 660 LEU HB2 . 19513 1 35 . 1 1 4 4 LEU HB3 H 1 1.624 0.000 . 2 . . . A 660 LEU HB3 . 19513 1 36 . 1 1 4 4 LEU HG H 1 1.710 0.000 . 1 . . . A 660 LEU HG . 19513 1 37 . 1 1 4 4 LEU HD11 H 1 0.938 0.000 . 2 . . . A 660 LEU HD11 . 19513 1 38 . 1 1 4 4 LEU HD12 H 1 0.938 0.000 . 2 . . . A 660 LEU HD12 . 19513 1 39 . 1 1 4 4 LEU HD13 H 1 0.938 0.000 . 2 . . . A 660 LEU HD13 . 19513 1 40 . 1 1 4 4 LEU HD21 H 1 0.854 0.000 . 2 . . . A 660 LEU HD21 . 19513 1 41 . 1 1 4 4 LEU HD22 H 1 0.854 0.000 . 2 . . . A 660 LEU HD22 . 19513 1 42 . 1 1 4 4 LEU HD23 H 1 0.854 0.000 . 2 . . . A 660 LEU HD23 . 19513 1 43 . 1 1 4 4 LEU C C 13 177.141 0.000 . 1 . . . A 660 LEU C . 19513 1 44 . 1 1 4 4 LEU CA C 13 56.500 0.000 . 1 . . . A 660 LEU CA . 19513 1 45 . 1 1 4 4 LEU CB C 13 42.506 0.000 . 1 . . . A 660 LEU CB . 19513 1 46 . 1 1 4 4 LEU CG C 13 27.128 0.000 . 1 . . . A 660 LEU CG . 19513 1 47 . 1 1 4 4 LEU CD1 C 13 25.188 0.000 . 1 . . . A 660 LEU CD1 . 19513 1 48 . 1 1 4 4 LEU CD2 C 13 23.869 0.000 . 1 . . . A 660 LEU CD2 . 19513 1 49 . 1 1 4 4 LEU N N 15 123.085 0.000 . 1 . . . A 660 LEU N . 19513 1 50 . 1 1 5 5 LEU H H 1 8.130 0.000 . 1 . . . A 661 LEU H . 19513 1 51 . 1 1 5 5 LEU HA H 1 4.360 0.000 . 1 . . . A 661 LEU HA . 19513 1 52 . 1 1 5 5 LEU HB2 H 1 1.708 0.000 . 2 . . . A 661 LEU HB2 . 19513 1 53 . 1 1 5 5 LEU HB3 H 1 1.622 0.000 . 2 . . . A 661 LEU HB3 . 19513 1 54 . 1 1 5 5 LEU HG H 1 1.625 0.000 . 1 . . . A 661 LEU HG . 19513 1 55 . 1 1 5 5 LEU HD11 H 1 0.899 0.000 . 2 . . . A 661 LEU HD11 . 19513 1 56 . 1 1 5 5 LEU HD12 H 1 0.899 0.000 . 2 . . . A 661 LEU HD12 . 19513 1 57 . 1 1 5 5 LEU HD13 H 1 0.899 0.000 . 2 . . . A 661 LEU HD13 . 19513 1 58 . 1 1 5 5 LEU HD21 H 1 0.837 0.000 . 2 . . . A 661 LEU HD21 . 19513 1 59 . 1 1 5 5 LEU HD22 H 1 0.837 0.000 . 2 . . . A 661 LEU HD22 . 19513 1 60 . 1 1 5 5 LEU HD23 H 1 0.837 0.000 . 2 . . . A 661 LEU HD23 . 19513 1 61 . 1 1 5 5 LEU C C 13 176.318 0.000 . 1 . . . A 661 LEU C . 19513 1 62 . 1 1 5 5 LEU CA C 13 54.844 0.000 . 1 . . . A 661 LEU CA . 19513 1 63 . 1 1 5 5 LEU CB C 13 41.825 0.000 . 1 . . . A 661 LEU CB . 19513 1 64 . 1 1 5 5 LEU CG C 13 27.191 0.000 . 1 . . . A 661 LEU CG . 19513 1 65 . 1 1 5 5 LEU CD1 C 13 25.313 0.000 . 1 . . . A 661 LEU CD1 . 19513 1 66 . 1 1 5 5 LEU CD2 C 13 23.646 0.000 . 1 . . . A 661 LEU CD2 . 19513 1 67 . 1 1 5 5 LEU N N 15 118.555 0.000 . 1 . . . A 661 LEU N . 19513 1 68 . 1 1 6 6 ALA H H 1 7.864 0.000 . 1 . . . A 662 ALA H . 19513 1 69 . 1 1 6 6 ALA HA H 1 4.415 0.000 . 1 . . . A 662 ALA HA . 19513 1 70 . 1 1 6 6 ALA HB1 H 1 1.437 0.000 . 1 . . . A 662 ALA HB1 . 19513 1 71 . 1 1 6 6 ALA HB2 H 1 1.437 0.000 . 1 . . . A 662 ALA HB2 . 19513 1 72 . 1 1 6 6 ALA HB3 H 1 1.437 0.000 . 1 . . . A 662 ALA HB3 . 19513 1 73 . 1 1 6 6 ALA C C 13 177.941 0.000 . 1 . . . A 662 ALA C . 19513 1 74 . 1 1 6 6 ALA CA C 13 52.144 0.000 . 1 . . . A 662 ALA CA . 19513 1 75 . 1 1 6 6 ALA CB C 13 19.346 0.000 . 1 . . . A 662 ALA CB . 19513 1 76 . 1 1 6 6 ALA N N 15 122.853 0.000 . 1 . . . A 662 ALA N . 19513 1 77 . 1 1 7 7 LEU H H 1 8.314 0.000 . 1 . . . A 663 LEU H . 19513 1 78 . 1 1 7 7 LEU HA H 1 4.199 0.000 . 1 . . . A 663 LEU HA . 19513 1 79 . 1 1 7 7 LEU HB2 H 1 1.707 0.000 . 2 . . . A 663 LEU HB2 . 19513 1 80 . 1 1 7 7 LEU HB3 H 1 1.637 0.000 . 2 . . . A 663 LEU HB3 . 19513 1 81 . 1 1 7 7 LEU HG H 1 1.694 0.000 . 1 . . . A 663 LEU HG . 19513 1 82 . 1 1 7 7 LEU HD11 H 1 0.907 0.000 . 2 . . . A 663 LEU HD11 . 19513 1 83 . 1 1 7 7 LEU HD12 H 1 0.907 0.000 . 2 . . . A 663 LEU HD12 . 19513 1 84 . 1 1 7 7 LEU HD13 H 1 0.907 0.000 . 2 . . . A 663 LEU HD13 . 19513 1 85 . 1 1 7 7 LEU HD21 H 1 0.844 0.000 . 2 . . . A 663 LEU HD21 . 19513 1 86 . 1 1 7 7 LEU HD22 H 1 0.844 0.000 . 2 . . . A 663 LEU HD22 . 19513 1 87 . 1 1 7 7 LEU HD23 H 1 0.844 0.000 . 2 . . . A 663 LEU HD23 . 19513 1 88 . 1 1 7 7 LEU C C 13 177.963 0.000 . 1 . . . A 663 LEU C . 19513 1 89 . 1 1 7 7 LEU CA C 13 56.639 0.000 . 1 . . . A 663 LEU CA . 19513 1 90 . 1 1 7 7 LEU CB C 13 42.020 0.000 . 1 . . . A 663 LEU CB . 19513 1 91 . 1 1 7 7 LEU CG C 13 27.270 0.000 . 1 . . . A 663 LEU CG . 19513 1 92 . 1 1 7 7 LEU CD1 C 13 24.993 0.000 . 1 . . . A 663 LEU CD1 . 19513 1 93 . 1 1 7 7 LEU CD2 C 13 23.924 0.000 . 1 . . . A 663 LEU CD2 . 19513 1 94 . 1 1 7 7 LEU N N 15 121.303 0.000 . 1 . . . A 663 LEU N . 19513 1 95 . 1 1 8 8 ASP H H 1 8.448 0.000 . 1 . . . A 664 ASP H . 19513 1 96 . 1 1 8 8 ASP HA H 1 4.441 0.000 . 1 . . . A 664 ASP HA . 19513 1 97 . 1 1 8 8 ASP HB2 H 1 2.667 0.000 . 1 . . . A 664 ASP HB2 . 19513 1 98 . 1 1 8 8 ASP HB3 H 1 2.667 0.000 . 1 . . . A 664 ASP HB3 . 19513 1 99 . 1 1 8 8 ASP C C 13 177.541 0.000 . 1 . . . A 664 ASP C . 19513 1 100 . 1 1 8 8 ASP CA C 13 56.317 0.000 . 1 . . . A 664 ASP CA . 19513 1 101 . 1 1 8 8 ASP CB C 13 40.913 0.000 . 1 . . . A 664 ASP CB . 19513 1 102 . 1 1 8 8 ASP N N 15 118.224 0.000 . 1 . . . A 664 ASP N . 19513 1 103 . 1 1 9 9 SER H H 1 7.921 0.000 . 1 . . . A 665 SER H . 19513 1 104 . 1 1 9 9 SER HA H 1 4.361 0.000 . 1 . . . A 665 SER HA . 19513 1 105 . 1 1 9 9 SER HB2 H 1 3.908 0.000 . 2 . . . A 665 SER HB2 . 19513 1 106 . 1 1 9 9 SER HB3 H 1 3.741 0.000 . 2 . . . A 665 SER HB3 . 19513 1 107 . 1 1 9 9 SER C C 13 175.562 0.000 . 1 . . . A 665 SER C . 19513 1 108 . 1 1 9 9 SER CA C 13 60.048 0.000 . 1 . . . A 665 SER CA . 19513 1 109 . 1 1 9 9 SER CB C 13 63.503 0.000 . 1 . . . A 665 SER CB . 19513 1 110 . 1 1 9 9 SER N N 15 113.947 0.000 . 1 . . . A 665 SER N . 19513 1 111 . 1 1 10 10 TRP H H 1 8.048 0.000 . 1 . . . A 666 TRP H . 19513 1 112 . 1 1 10 10 TRP HA H 1 4.508 0.000 . 1 . . . A 666 TRP HA . 19513 1 113 . 1 1 10 10 TRP HB2 H 1 3.407 0.000 . 2 . . . A 666 TRP HB2 . 19513 1 114 . 1 1 10 10 TRP HB3 H 1 3.265 0.000 . 2 . . . A 666 TRP HB3 . 19513 1 115 . 1 1 10 10 TRP HD1 H 1 7.390 0.000 . 1 . . . A 666 TRP HD1 . 19513 1 116 . 1 1 10 10 TRP HE1 H 1 10.520 0.000 . 1 . . . A 666 TRP HE1 . 19513 1 117 . 1 1 10 10 TRP HE3 H 1 7.484 0.000 . 1 . . . A 666 TRP HE3 . 19513 1 118 . 1 1 10 10 TRP HZ2 H 1 7.408 0.000 . 1 . . . A 666 TRP HZ2 . 19513 1 119 . 1 1 10 10 TRP HZ3 H 1 6.916 0.000 . 1 . . . A 666 TRP HZ3 . 19513 1 120 . 1 1 10 10 TRP HH2 H 1 7.040 0.000 . 1 . . . A 666 TRP HH2 . 19513 1 121 . 1 1 10 10 TRP C C 13 177.118 0.000 . 1 . . . A 666 TRP C . 19513 1 122 . 1 1 10 10 TRP CA C 13 58.835 0.000 . 1 . . . A 666 TRP CA . 19513 1 123 . 1 1 10 10 TRP CB C 13 29.262 0.000 . 1 . . . A 666 TRP CB . 19513 1 124 . 1 1 10 10 TRP N N 15 122.464 0.000 . 1 . . . A 666 TRP N . 19513 1 125 . 1 1 10 10 TRP NE1 N 15 129.783 0.000 . 1 . . . A 666 TRP NE1 . 19513 1 126 . 1 1 11 11 LYS H H 1 7.876 0.000 . 1 . . . A 667 LYS H . 19513 1 127 . 1 1 11 11 LYS HA H 1 3.931 0.000 . 1 . . . A 667 LYS HA . 19513 1 128 . 1 1 11 11 LYS HB2 H 1 1.829 0.000 . 1 . . . A 667 LYS HB2 . 19513 1 129 . 1 1 11 11 LYS HB3 H 1 1.829 0.000 . 1 . . . A 667 LYS HB3 . 19513 1 130 . 1 1 11 11 LYS HG2 H 1 1.360 0.000 . 2 . . . A 667 LYS HG2 . 19513 1 131 . 1 1 11 11 LYS HG3 H 1 1.294 0.000 . 2 . . . A 667 LYS HG3 . 19513 1 132 . 1 1 11 11 LYS HD2 H 1 1.690 0.000 . 1 . . . A 667 LYS HD2 . 19513 1 133 . 1 1 11 11 LYS HD3 H 1 1.690 0.000 . 1 . . . A 667 LYS HD3 . 19513 1 134 . 1 1 11 11 LYS HE2 H 1 2.976 0.000 . 1 . . . A 667 LYS HE2 . 19513 1 135 . 1 1 11 11 LYS HE3 H 1 2.976 0.000 . 1 . . . A 667 LYS HE3 . 19513 1 136 . 1 1 11 11 LYS C C 13 178.186 0.000 . 1 . . . A 667 LYS C . 19513 1 137 . 1 1 11 11 LYS CA C 13 59.464 0.000 . 1 . . . A 667 LYS CA . 19513 1 138 . 1 1 11 11 LYS CB C 13 32.344 0.000 . 1 . . . A 667 LYS CB . 19513 1 139 . 1 1 11 11 LYS CG C 13 25.155 0.000 . 1 . . . A 667 LYS CG . 19513 1 140 . 1 1 11 11 LYS CD C 13 29.357 0.000 . 1 . . . A 667 LYS CD . 19513 1 141 . 1 1 11 11 LYS CE C 13 42.164 0.000 . 1 . . . A 667 LYS CE . 19513 1 142 . 1 1 11 11 LYS N N 15 118.273 0.000 . 1 . . . A 667 LYS N . 19513 1 143 . 1 1 12 12 ASN H H 1 8.117 0.000 . 1 . . . A 668 ASN H . 19513 1 144 . 1 1 12 12 ASN HA H 1 4.637 0.000 . 1 . . . A 668 ASN HA . 19513 1 145 . 1 1 12 12 ASN HB2 H 1 2.824 0.000 . 1 . . . A 668 ASN HB2 . 19513 1 146 . 1 1 12 12 ASN HB3 H 1 2.824 0.000 . 1 . . . A 668 ASN HB3 . 19513 1 147 . 1 1 12 12 ASN HD21 H 1 7.742 0.000 . 2 . . . A 668 ASN HD21 . 19513 1 148 . 1 1 12 12 ASN HD22 H 1 6.944 0.000 . 2 . . . A 668 ASN HD22 . 19513 1 149 . 1 1 12 12 ASN C C 13 176.763 0.000 . 1 . . . A 668 ASN C . 19513 1 150 . 1 1 12 12 ASN CA C 13 54.804 0.000 . 1 . . . A 668 ASN CA . 19513 1 151 . 1 1 12 12 ASN CB C 13 38.244 0.000 . 1 . . . A 668 ASN CB . 19513 1 152 . 1 1 12 12 ASN N N 15 116.883 0.000 . 1 . . . A 668 ASN N . 19513 1 153 . 1 1 12 12 ASN ND2 N 15 112.768 0.000 . 1 . . . A 668 ASN ND2 . 19513 1 154 . 1 1 13 13 LEU H H 1 7.833 0.000 . 1 . . . A 669 LEU H . 19513 1 155 . 1 1 13 13 LEU HA H 1 4.005 0.000 . 1 . . . A 669 LEU HA . 19513 1 156 . 1 1 13 13 LEU HB2 H 1 1.721 0.000 . 2 . . . A 669 LEU HB2 . 19513 1 157 . 1 1 13 13 LEU HB3 H 1 1.573 0.000 . 2 . . . A 669 LEU HB3 . 19513 1 158 . 1 1 13 13 LEU HG H 1 1.556 0.000 . 1 . . . A 669 LEU HG . 19513 1 159 . 1 1 13 13 LEU HD11 H 1 0.804 0.000 . 2 . . . A 669 LEU HD11 . 19513 1 160 . 1 1 13 13 LEU HD12 H 1 0.804 0.000 . 2 . . . A 669 LEU HD12 . 19513 1 161 . 1 1 13 13 LEU HD13 H 1 0.804 0.000 . 2 . . . A 669 LEU HD13 . 19513 1 162 . 1 1 13 13 LEU HD21 H 1 0.714 0.000 . 2 . . . A 669 LEU HD21 . 19513 1 163 . 1 1 13 13 LEU HD22 H 1 0.714 0.000 . 2 . . . A 669 LEU HD22 . 19513 1 164 . 1 1 13 13 LEU HD23 H 1 0.714 0.000 . 2 . . . A 669 LEU HD23 . 19513 1 165 . 1 1 13 13 LEU C C 13 177.519 0.000 . 1 . . . A 669 LEU C . 19513 1 166 . 1 1 13 13 LEU CA C 13 57.863 0.000 . 1 . . . A 669 LEU CA . 19513 1 167 . 1 1 13 13 LEU CB C 13 42.226 0.000 . 1 . . . A 669 LEU CB . 19513 1 168 . 1 1 13 13 LEU CG C 13 26.981 0.000 . 1 . . . A 669 LEU CG . 19513 1 169 . 1 1 13 13 LEU CD1 C 13 25.083 0.000 . 1 . . . A 669 LEU CD1 . 19513 1 170 . 1 1 13 13 LEU CD2 C 13 24.722 0.000 . 1 . . . A 669 LEU CD2 . 19513 1 171 . 1 1 13 13 LEU N N 15 121.093 0.000 . 1 . . . A 669 LEU N . 19513 1 172 . 1 1 14 14 TRP H H 1 7.864 0.000 . 1 . . . A 670 TRP H . 19513 1 173 . 1 1 14 14 TRP HA H 1 4.585 0.000 . 1 . . . A 670 TRP HA . 19513 1 174 . 1 1 14 14 TRP HB2 H 1 3.416 0.000 . 2 . . . A 670 TRP HB2 . 19513 1 175 . 1 1 14 14 TRP HB3 H 1 3.276 0.000 . 2 . . . A 670 TRP HB3 . 19513 1 176 . 1 1 14 14 TRP HD1 H 1 7.251 0.000 . 1 . . . A 670 TRP HD1 . 19513 1 177 . 1 1 14 14 TRP HE1 H 1 10.211 0.000 . 1 . . . A 670 TRP HE1 . 19513 1 178 . 1 1 14 14 TRP HE3 H 1 7.544 0.000 . 1 . . . A 670 TRP HE3 . 19513 1 179 . 1 1 14 14 TRP HZ2 H 1 7.435 0.000 . 1 . . . A 670 TRP HZ2 . 19513 1 180 . 1 1 14 14 TRP HZ3 H 1 6.916 0.000 . 1 . . . A 670 TRP HZ3 . 19513 1 181 . 1 1 14 14 TRP HH2 H 1 7.060 0.000 . 1 . . . A 670 TRP HH2 . 19513 1 182 . 1 1 14 14 TRP C C 13 177.496 0.000 . 1 . . . A 670 TRP C . 19513 1 183 . 1 1 14 14 TRP CA C 13 58.918 0.000 . 1 . . . A 670 TRP CA . 19513 1 184 . 1 1 14 14 TRP CB C 13 29.650 0.000 . 1 . . . A 670 TRP CB . 19513 1 185 . 1 1 14 14 TRP N N 15 116.959 0.000 . 1 . . . A 670 TRP N . 19513 1 186 . 1 1 14 14 TRP NE1 N 15 129.226 0.000 . 1 . . . A 670 TRP NE1 . 19513 1 187 . 1 1 15 15 SER H H 1 7.950 0.000 . 1 . . . A 671 SER H . 19513 1 188 . 1 1 15 15 SER HA H 1 4.253 0.000 . 1 . . . A 671 SER HA . 19513 1 189 . 1 1 15 15 SER HB2 H 1 3.995 0.000 . 2 . . . A 671 SER HB2 . 19513 1 190 . 1 1 15 15 SER HB3 H 1 3.917 0.000 . 2 . . . A 671 SER HB3 . 19513 1 191 . 1 1 15 15 SER C C 13 175.562 0.000 . 1 . . . A 671 SER C . 19513 1 192 . 1 1 15 15 SER CA C 13 60.643 0.000 . 1 . . . A 671 SER CA . 19513 1 193 . 1 1 15 15 SER CB C 13 63.441 0.000 . 1 . . . A 671 SER CB . 19513 1 194 . 1 1 15 15 SER N N 15 113.455 0.000 . 1 . . . A 671 SER N . 19513 1 195 . 1 1 16 16 TRP H H 1 7.895 0.000 . 1 . . . A 672 TRP H . 19513 1 196 . 1 1 16 16 TRP HA H 1 4.461 0.000 . 1 . . . A 672 TRP HA . 19513 1 197 . 1 1 16 16 TRP HB2 H 1 3.300 0.000 . 2 . . . A 672 TRP HB2 . 19513 1 198 . 1 1 16 16 TRP HB3 H 1 3.267 0.000 . 2 . . . A 672 TRP HB3 . 19513 1 199 . 1 1 16 16 TRP HD1 H 1 7.235 0.000 . 1 . . . A 672 TRP HD1 . 19513 1 200 . 1 1 16 16 TRP HE1 H 1 10.379 0.000 . 1 . . . A 672 TRP HE1 . 19513 1 201 . 1 1 16 16 TRP HE3 H 1 7.378 0.000 . 1 . . . A 672 TRP HE3 . 19513 1 202 . 1 1 16 16 TRP HZ2 H 1 7.423 0.000 . 1 . . . A 672 TRP HZ2 . 19513 1 203 . 1 1 16 16 TRP HZ3 H 1 6.929 0.000 . 1 . . . A 672 TRP HZ3 . 19513 1 204 . 1 1 16 16 TRP HH2 H 1 7.054 0.000 . 1 . . . A 672 TRP HH2 . 19513 1 205 . 1 1 16 16 TRP C C 13 176.785 0.000 . 1 . . . A 672 TRP C . 19513 1 206 . 1 1 16 16 TRP CA C 13 59.160 0.000 . 1 . . . A 672 TRP CA . 19513 1 207 . 1 1 16 16 TRP CB C 13 29.455 0.000 . 1 . . . A 672 TRP CB . 19513 1 208 . 1 1 16 16 TRP N N 15 121.536 0.000 . 1 . . . A 672 TRP N . 19513 1 209 . 1 1 16 16 TRP NE1 N 15 129.759 0.000 . 1 . . . A 672 TRP NE1 . 19513 1 210 . 1 1 17 17 PHE H H 1 7.942 0.000 . 1 . . . A 673 PHE H . 19513 1 211 . 1 1 17 17 PHE HA H 1 4.281 0.000 . 1 . . . A 673 PHE HA . 19513 1 212 . 1 1 17 17 PHE HB2 H 1 3.021 0.000 . 2 . . . A 673 PHE HB2 . 19513 1 213 . 1 1 17 17 PHE HB3 H 1 2.886 0.000 . 2 . . . A 673 PHE HB3 . 19513 1 214 . 1 1 17 17 PHE HD1 H 1 7.151 0.000 . 1 . . . A 673 PHE HD1 . 19513 1 215 . 1 1 17 17 PHE HD2 H 1 7.151 0.000 . 1 . . . A 673 PHE HD2 . 19513 1 216 . 1 1 17 17 PHE HE1 H 1 7.151 0.000 . 1 . . . A 673 PHE HE1 . 19513 1 217 . 1 1 17 17 PHE HE2 H 1 7.151 0.000 . 1 . . . A 673 PHE HE2 . 19513 1 218 . 1 1 17 17 PHE HZ H 1 7.070 0.000 . 1 . . . A 673 PHE HZ . 19513 1 219 . 1 1 17 17 PHE C C 13 175.473 0.000 . 1 . . . A 673 PHE C . 19513 1 220 . 1 1 17 17 PHE CA C 13 59.193 0.000 . 1 . . . A 673 PHE CA . 19513 1 221 . 1 1 17 17 PHE CB C 13 39.375 0.000 . 1 . . . A 673 PHE CB . 19513 1 222 . 1 1 17 17 PHE N N 15 118.414 0.000 . 1 . . . A 673 PHE N . 19513 1 223 . 1 1 18 18 SER H H 1 7.698 0.000 . 1 . . . A 674 SER H . 19513 1 224 . 1 1 18 18 SER HA H 1 4.362 0.000 . 1 . . . A 674 SER HA . 19513 1 225 . 1 1 18 18 SER HB2 H 1 3.849 0.000 . 2 . . . A 674 SER HB2 . 19513 1 226 . 1 1 18 18 SER HB3 H 1 3.696 0.000 . 2 . . . A 674 SER HB3 . 19513 1 227 . 1 1 18 18 SER C C 13 175.273 0.000 . 1 . . . A 674 SER C . 19513 1 228 . 1 1 18 18 SER CA C 13 58.612 0.000 . 1 . . . A 674 SER CA . 19513 1 229 . 1 1 18 18 SER CB C 13 63.602 0.000 . 1 . . . A 674 SER CB . 19513 1 230 . 1 1 18 18 SER N N 15 114.868 0.000 . 1 . . . A 674 SER N . 19513 1 231 . 1 1 19 19 ILE H H 1 8.067 0.000 . 1 . . . A 675 ILE H . 19513 1 232 . 1 1 19 19 ILE HA H 1 3.969 0.000 . 1 . . . A 675 ILE HA . 19513 1 233 . 1 1 19 19 ILE HB H 1 1.875 0.000 . 1 . . . A 675 ILE HB . 19513 1 234 . 1 1 19 19 ILE HG12 H 1 1.476 0.000 . 2 . . . A 675 ILE HG12 . 19513 1 235 . 1 1 19 19 ILE HG13 H 1 1.247 0.000 . 2 . . . A 675 ILE HG13 . 19513 1 236 . 1 1 19 19 ILE HG21 H 1 0.887 0.000 . 1 . . . A 675 ILE HG21 . 19513 1 237 . 1 1 19 19 ILE HG22 H 1 0.887 0.000 . 1 . . . A 675 ILE HG22 . 19513 1 238 . 1 1 19 19 ILE HG23 H 1 0.887 0.000 . 1 . . . A 675 ILE HG23 . 19513 1 239 . 1 1 19 19 ILE HD11 H 1 0.859 0.000 . 1 . . . A 675 ILE HD11 . 19513 1 240 . 1 1 19 19 ILE HD12 H 1 0.859 0.000 . 1 . . . A 675 ILE HD12 . 19513 1 241 . 1 1 19 19 ILE HD13 H 1 0.859 0.000 . 1 . . . A 675 ILE HD13 . 19513 1 242 . 1 1 19 19 ILE C C 13 176.696 0.000 . 1 . . . A 675 ILE C . 19513 1 243 . 1 1 19 19 ILE CA C 13 62.859 0.000 . 1 . . . A 675 ILE CA . 19513 1 244 . 1 1 19 19 ILE CB C 13 38.416 0.000 . 1 . . . A 675 ILE CB . 19513 1 245 . 1 1 19 19 ILE CG1 C 13 28.172 0.000 . 1 . . . A 675 ILE CG1 . 19513 1 246 . 1 1 19 19 ILE CG2 C 13 17.810 0.000 . 1 . . . A 675 ILE CG2 . 19513 1 247 . 1 1 19 19 ILE CD1 C 13 13.770 0.000 . 1 . . . A 675 ILE CD1 . 19513 1 248 . 1 1 19 19 ILE N N 15 121.205 0.000 . 1 . . . A 675 ILE N . 19513 1 249 . 1 1 20 20 THR H H 1 7.819 0.000 . 1 . . . A 676 THR H . 19513 1 250 . 1 1 20 20 THR HA H 1 3.934 0.000 . 1 . . . A 676 THR HA . 19513 1 251 . 1 1 20 20 THR HB H 1 3.959 0.000 . 1 . . . A 676 THR HB . 19513 1 252 . 1 1 20 20 THR HG21 H 1 1.017 0.000 . 1 . . . A 676 THR HG21 . 19513 1 253 . 1 1 20 20 THR HG22 H 1 1.017 0.000 . 1 . . . A 676 THR HG22 . 19513 1 254 . 1 1 20 20 THR HG23 H 1 1.017 0.000 . 1 . . . A 676 THR HG23 . 19513 1 255 . 1 1 20 20 THR C C 13 175.384 0.000 . 1 . . . A 676 THR C . 19513 1 256 . 1 1 20 20 THR CA C 13 64.588 0.000 . 1 . . . A 676 THR CA . 19513 1 257 . 1 1 20 20 THR CB C 13 68.930 0.000 . 1 . . . A 676 THR CB . 19513 1 258 . 1 1 20 20 THR CG2 C 13 21.804 0.000 . 1 . . . A 676 THR CG2 . 19513 1 259 . 1 1 20 20 THR N N 15 113.871 0.000 . 1 . . . A 676 THR N . 19513 1 260 . 1 1 21 21 ASN H H 1 7.989 0.000 . 1 . . . A 677 ASN H . 19513 1 261 . 1 1 21 21 ASN HA H 1 4.567 0.000 . 1 . . . A 677 ASN HA . 19513 1 262 . 1 1 21 21 ASN HB2 H 1 2.682 0.000 . 1 . . . A 677 ASN HB2 . 19513 1 263 . 1 1 21 21 ASN HB3 H 1 2.682 0.000 . 1 . . . A 677 ASN HB3 . 19513 1 264 . 1 1 21 21 ASN HD21 H 1 7.456 0.000 . 2 . . . A 677 ASN HD21 . 19513 1 265 . 1 1 21 21 ASN HD22 H 1 6.747 0.000 . 2 . . . A 677 ASN HD22 . 19513 1 266 . 1 1 21 21 ASN C C 13 175.940 0.000 . 1 . . . A 677 ASN C . 19513 1 267 . 1 1 21 21 ASN CA C 13 54.554 0.000 . 1 . . . A 677 ASN CA . 19513 1 268 . 1 1 21 21 ASN CB C 13 38.121 0.000 . 1 . . . A 677 ASN CB . 19513 1 269 . 1 1 21 21 ASN N N 15 119.341 0.000 . 1 . . . A 677 ASN N . 19513 1 270 . 1 1 21 21 ASN ND2 N 15 111.783 0.000 . 1 . . . A 677 ASN ND2 . 19513 1 271 . 1 1 22 22 TRP H H 1 7.792 0.000 . 1 . . . A 678 TRP H . 19513 1 272 . 1 1 22 22 TRP HA H 1 4.591 0.000 . 1 . . . A 678 TRP HA . 19513 1 273 . 1 1 22 22 TRP HB2 H 1 3.374 0.000 . 2 . . . A 678 TRP HB2 . 19513 1 274 . 1 1 22 22 TRP HB3 H 1 3.260 0.000 . 2 . . . A 678 TRP HB3 . 19513 1 275 . 1 1 22 22 TRP HD1 H 1 7.252 0.000 . 1 . . . A 678 TRP HD1 . 19513 1 276 . 1 1 22 22 TRP HE1 H 1 10.206 0.000 . 1 . . . A 678 TRP HE1 . 19513 1 277 . 1 1 22 22 TRP HE3 H 1 7.469 0.000 . 1 . . . A 678 TRP HE3 . 19513 1 278 . 1 1 22 22 TRP HZ2 H 1 7.377 0.000 . 1 . . . A 678 TRP HZ2 . 19513 1 279 . 1 1 22 22 TRP HZ3 H 1 6.940 0.000 . 1 . . . A 678 TRP HZ3 . 19513 1 280 . 1 1 22 22 TRP HH2 H 1 7.055 0.000 . 1 . . . A 678 TRP HH2 . 19513 1 281 . 1 1 22 22 TRP C C 13 176.785 0.000 . 1 . . . A 678 TRP C . 19513 1 282 . 1 1 22 22 TRP CA C 13 58.696 0.000 . 1 . . . A 678 TRP CA . 19513 1 283 . 1 1 22 22 TRP CB C 13 29.644 0.000 . 1 . . . A 678 TRP CB . 19513 1 284 . 1 1 22 22 TRP N N 15 119.377 0.000 . 1 . . . A 678 TRP N . 19513 1 285 . 1 1 22 22 TRP NE1 N 15 129.173 0.000 . 1 . . . A 678 TRP NE1 . 19513 1 286 . 1 1 23 23 LEU H H 1 7.752 0.000 . 1 . . . A 679 LEU H . 19513 1 287 . 1 1 23 23 LEU HA H 1 3.994 0.000 . 1 . . . A 679 LEU HA . 19513 1 288 . 1 1 23 23 LEU HB2 H 1 1.555 0.000 . 2 . . . A 679 LEU HB2 . 19513 1 289 . 1 1 23 23 LEU HB3 H 1 1.348 0.000 . 2 . . . A 679 LEU HB3 . 19513 1 290 . 1 1 23 23 LEU HG H 1 1.580 0.000 . 1 . . . A 679 LEU HG . 19513 1 291 . 1 1 23 23 LEU HD11 H 1 0.843 0.000 . 2 . . . A 679 LEU HD11 . 19513 1 292 . 1 1 23 23 LEU HD12 H 1 0.843 0.000 . 2 . . . A 679 LEU HD12 . 19513 1 293 . 1 1 23 23 LEU HD13 H 1 0.843 0.000 . 2 . . . A 679 LEU HD13 . 19513 1 294 . 1 1 23 23 LEU HD21 H 1 0.755 0.000 . 2 . . . A 679 LEU HD21 . 19513 1 295 . 1 1 23 23 LEU HD22 H 1 0.755 0.000 . 2 . . . A 679 LEU HD22 . 19513 1 296 . 1 1 23 23 LEU HD23 H 1 0.755 0.000 . 2 . . . A 679 LEU HD23 . 19513 1 297 . 1 1 23 23 LEU C C 13 177.430 0.000 . 1 . . . A 679 LEU C . 19513 1 298 . 1 1 23 23 LEU CA C 13 56.750 0.000 . 1 . . . A 679 LEU CA . 19513 1 299 . 1 1 23 23 LEU CB C 13 41.760 0.000 . 1 . . . A 679 LEU CB . 19513 1 300 . 1 1 23 23 LEU CG C 13 26.943 0.000 . 1 . . . A 679 LEU CG . 19513 1 301 . 1 1 23 23 LEU CD1 C 13 25.313 0.000 . 1 . . . A 679 LEU CD1 . 19513 1 302 . 1 1 23 23 LEU CD2 C 13 23.715 0.000 . 1 . . . A 679 LEU CD2 . 19513 1 303 . 1 1 23 23 LEU N N 15 117.934 0.000 . 1 . . . A 679 LEU N . 19513 1 304 . 1 1 24 24 TRP H H 1 7.543 0.000 . 1 . . . A 680 TRP H . 19513 1 305 . 1 1 24 24 TRP HA H 1 4.346 0.000 . 1 . . . A 680 TRP HA . 19513 1 306 . 1 1 24 24 TRP HB2 H 1 3.235 0.000 . 2 . . . A 680 TRP HB2 . 19513 1 307 . 1 1 24 24 TRP HB3 H 1 3.151 0.000 . 2 . . . A 680 TRP HB3 . 19513 1 308 . 1 1 24 24 TRP HD1 H 1 7.072 0.000 . 1 . . . A 680 TRP HD1 . 19513 1 309 . 1 1 24 24 TRP HE1 H 1 10.186 0.000 . 1 . . . A 680 TRP HE1 . 19513 1 310 . 1 1 24 24 TRP HE3 H 1 7.313 0.000 . 1 . . . A 680 TRP HE3 . 19513 1 311 . 1 1 24 24 TRP HZ2 H 1 7.449 0.000 . 1 . . . A 680 TRP HZ2 . 19513 1 312 . 1 1 24 24 TRP HZ3 H 1 7.034 0.000 . 1 . . . A 680 TRP HZ3 . 19513 1 313 . 1 1 24 24 TRP HH2 H 1 7.168 0.000 . 1 . . . A 680 TRP HH2 . 19513 1 314 . 1 1 24 24 TRP C C 13 176.340 0.000 . 1 . . . A 680 TRP C . 19513 1 315 . 1 1 24 24 TRP CA C 13 58.835 0.000 . 1 . . . A 680 TRP CA . 19513 1 316 . 1 1 24 24 TRP CB C 13 29.188 0.000 . 1 . . . A 680 TRP CB . 19513 1 317 . 1 1 24 24 TRP N N 15 117.268 0.000 . 1 . . . A 680 TRP N . 19513 1 318 . 1 1 24 24 TRP NE1 N 15 129.668 0.000 . 1 . . . A 680 TRP NE1 . 19513 1 319 . 1 1 25 25 TYR H H 1 7.473 0.000 . 1 . . . A 681 TYR H . 19513 1 320 . 1 1 25 25 TYR HA H 1 4.170 0.000 . 1 . . . A 681 TYR HA . 19513 1 321 . 1 1 25 25 TYR HB2 H 1 3.008 0.000 . 2 . . . A 681 TYR HB2 . 19513 1 322 . 1 1 25 25 TYR HB3 H 1 2.873 0.000 . 2 . . . A 681 TYR HB3 . 19513 1 323 . 1 1 25 25 TYR HD1 H 1 7.113 0.000 . 1 . . . A 681 TYR HD1 . 19513 1 324 . 1 1 25 25 TYR HD2 H 1 7.113 0.000 . 1 . . . A 681 TYR HD2 . 19513 1 325 . 1 1 25 25 TYR HE1 H 1 6.830 0.000 . 1 . . . A 681 TYR HE1 . 19513 1 326 . 1 1 25 25 TYR HE2 H 1 6.830 0.000 . 1 . . . A 681 TYR HE2 . 19513 1 327 . 1 1 25 25 TYR C C 13 175.607 0.000 . 1 . . . A 681 TYR C . 19513 1 328 . 1 1 25 25 TYR CA C 13 59.670 0.000 . 1 . . . A 681 TYR CA . 19513 1 329 . 1 1 25 25 TYR CB C 13 39.117 0.000 . 1 . . . A 681 TYR CB . 19513 1 330 . 1 1 25 25 TYR N N 15 116.283 0.000 . 1 . . . A 681 TYR N . 19513 1 331 . 1 1 26 26 ILE H H 1 7.483 0.000 . 1 . . . A 682 ILE H . 19513 1 332 . 1 1 26 26 ILE HA H 1 4.185 0.000 . 1 . . . A 682 ILE HA . 19513 1 333 . 1 1 26 26 ILE HB H 1 1.994 0.000 . 1 . . . A 682 ILE HB . 19513 1 334 . 1 1 26 26 ILE HG12 H 1 1.480 0.000 . 2 . . . A 682 ILE HG12 . 19513 1 335 . 1 1 26 26 ILE HG13 H 1 1.242 0.000 . 2 . . . A 682 ILE HG13 . 19513 1 336 . 1 1 26 26 ILE HG21 H 1 0.916 0.000 . 1 . . . A 682 ILE HG21 . 19513 1 337 . 1 1 26 26 ILE HG22 H 1 0.916 0.000 . 1 . . . A 682 ILE HG22 . 19513 1 338 . 1 1 26 26 ILE HG23 H 1 0.916 0.000 . 1 . . . A 682 ILE HG23 . 19513 1 339 . 1 1 26 26 ILE HD11 H 1 0.871 0.000 . 1 . . . A 682 ILE HD11 . 19513 1 340 . 1 1 26 26 ILE HD12 H 1 0.871 0.000 . 1 . . . A 682 ILE HD12 . 19513 1 341 . 1 1 26 26 ILE HD13 H 1 0.871 0.000 . 1 . . . A 682 ILE HD13 . 19513 1 342 . 1 1 26 26 ILE C C 13 174.317 0.000 . 1 . . . A 682 ILE C . 19513 1 343 . 1 1 26 26 ILE CA C 13 61.204 0.000 . 1 . . . A 682 ILE CA . 19513 1 344 . 1 1 26 26 ILE CB C 13 38.895 0.000 . 1 . . . A 682 ILE CB . 19513 1 345 . 1 1 26 26 ILE CG1 C 13 27.293 0.000 . 1 . . . A 682 ILE CG1 . 19513 1 346 . 1 1 26 26 ILE CG2 C 13 18.139 0.000 . 1 . . . A 682 ILE CG2 . 19513 1 347 . 1 1 26 26 ILE CD1 C 13 13.828 0.000 . 1 . . . A 682 ILE CD1 . 19513 1 348 . 1 1 26 26 ILE N N 15 115.196 0.000 . 1 . . . A 682 ILE N . 19513 1 349 . 1 1 27 27 LYS H H 1 7.401 0.000 . 1 . . . A 683 LYS H . 19513 1 350 . 1 1 27 27 LYS HA H 1 4.105 0.000 . 1 . . . A 683 LYS HA . 19513 1 351 . 1 1 27 27 LYS HB2 H 1 1.763 0.000 . 2 . . . A 683 LYS HB2 . 19513 1 352 . 1 1 27 27 LYS HB3 H 1 1.688 0.000 . 2 . . . A 683 LYS HB3 . 19513 1 353 . 1 1 27 27 LYS HG2 H 1 1.380 0.000 . 1 . . . A 683 LYS HG2 . 19513 1 354 . 1 1 27 27 LYS HG3 H 1 1.380 0.000 . 1 . . . A 683 LYS HG3 . 19513 1 355 . 1 1 27 27 LYS HD2 H 1 1.620 0.000 . 1 . . . A 683 LYS HD2 . 19513 1 356 . 1 1 27 27 LYS HD3 H 1 1.620 0.000 . 1 . . . A 683 LYS HD3 . 19513 1 357 . 1 1 27 27 LYS HE2 H 1 2.912 0.000 . 1 . . . A 683 LYS HE2 . 19513 1 358 . 1 1 27 27 LYS HE3 H 1 2.912 0.000 . 1 . . . A 683 LYS HE3 . 19513 1 359 . 1 1 27 27 LYS C C 13 180.681 0.000 . 1 . . . A 683 LYS C . 19513 1 360 . 1 1 27 27 LYS CA C 13 57.801 0.000 . 1 . . . A 683 LYS CA . 19513 1 361 . 1 1 27 27 LYS CB C 13 33.892 0.000 . 1 . . . A 683 LYS CB . 19513 1 362 . 1 1 27 27 LYS CG C 13 24.698 0.000 . 1 . . . A 683 LYS CG . 19513 1 363 . 1 1 27 27 LYS CD C 13 29.299 0.000 . 1 . . . A 683 LYS CD . 19513 1 364 . 1 1 27 27 LYS CE C 13 42.170 0.000 . 1 . . . A 683 LYS CE . 19513 1 365 . 1 1 27 27 LYS N N 15 127.095 0.000 . 1 . . . A 683 LYS N . 19513 1 stop_ save_