################################### # 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 17963 _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 '2D 1H-15N HSQC' . . . 17963 1 6 '2D 1H-1H NOESY' . . . 17963 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 4.008 0.01 . 2 . . . A 1 GLY HA2 . 17963 1 2 . 1 1 1 1 GLY HA3 H 1 4.678 0.01 . 2 . . . A 1 GLY HA3 . 17963 1 3 . 1 1 1 1 GLY H H 1 8.577 0.01 . 1 . . . A 1 GLY H1 . 17963 1 4 . 1 1 1 1 GLY N N 15 114.35 0.1 . 1 . . . A 1 GLY N . 17963 1 5 . 1 1 2 2 LYS H H 1 8.331 0.01 . 1 . . . A 2 LYS H . 17963 1 6 . 1 1 2 2 LYS HB2 H 1 1.90 0.01 . 2 . . . A 2 LYS HB2 . 17963 1 7 . 1 1 2 2 LYS HB3 H 1 1.81 0.01 . 2 . . . A 2 LYS HB3 . 17963 1 8 . 1 1 2 2 LYS HG2 H 1 1.484 0.01 . 2 . . . A 2 LYS HG2 . 17963 1 9 . 1 1 2 2 LYS HG3 H 1 1.484 0.01 . 2 . . . A 2 LYS HG3 . 17963 1 10 . 1 1 2 2 LYS N N 15 125.285 0.1 . 1 . . . A 2 LYS N . 17963 1 11 . 1 1 3 3 GLU H H 1 8.659 0.01 . 1 . . . A 3 GLU H . 17963 1 12 . 1 1 3 3 GLU HA H 1 4.322 0.01 . 1 . . . A 3 GLU HA . 17963 1 13 . 1 1 3 3 GLU HB2 H 1 2.051 0.01 . 2 . . . A 3 GLU HB2 . 17963 1 14 . 1 1 3 3 GLU HB3 H 1 1.970 0.01 . 2 . . . A 3 GLU HB3 . 17963 1 15 . 1 1 3 3 GLU HG2 H 1 2.281 0.01 . 2 . . . A 3 GLU HG2 . 17963 1 16 . 1 1 3 3 GLU HG3 H 1 2.281 0.01 . 2 . . . A 3 GLU HG3 . 17963 1 17 . 1 1 3 3 GLU N N 15 125.356 0.1 . 1 . . . A 3 GLU N . 17963 1 18 . 1 1 4 4 CYS H H 1 8.116 0.01 . 1 . . . A 4 CYS H . 17963 1 19 . 1 1 4 4 CYS HA H 1 4.975 0.01 . 1 . . . A 4 CYS HA . 17963 1 20 . 1 1 4 4 CYS HB2 H 1 3.456 0.01 . 2 . . . A 4 CYS HB2 . 17963 1 21 . 1 1 4 4 CYS HB3 H 1 2.581 0.01 . 2 . . . A 4 CYS HB3 . 17963 1 22 . 1 1 4 4 CYS N N 15 123.773 0.1 . 1 . . . A 4 CYS N . 17963 1 23 . 1 1 5 5 ASP H H 1 8.776 0.01 . 1 . . . A 5 ASP H . 17963 1 24 . 1 1 5 5 ASP HA H 1 4.817 0.01 . 1 . . . A 5 ASP HA . 17963 1 25 . 1 1 5 5 ASP HB2 H 1 2.721 0.01 . 2 . . . A 5 ASP HB2 . 17963 1 26 . 1 1 5 5 ASP HB3 H 1 2.721 0.01 . 2 . . . A 5 ASP HB3 . 17963 1 27 . 1 1 5 5 ASP N N 15 123.756 0.1 . 1 . . . A 5 ASP N . 17963 1 28 . 1 1 6 6 CYS H H 1 6.975 0.01 . 1 . . . A 6 CYS H . 17963 1 29 . 1 1 6 6 CYS HA H 1 4.931 0.01 . 1 . . . A 6 CYS HA . 17963 1 30 . 1 1 6 6 CYS HB2 H 1 3.218 0.01 . 2 . . . A 6 CYS HB2 . 17963 1 31 . 1 1 6 6 CYS HB3 H 1 2.987 0.01 . 2 . . . A 6 CYS HB3 . 17963 1 32 . 1 1 6 6 CYS N N 15 116.724 0.1 . 1 . . . A 6 CYS N . 17963 1 33 . 1 1 7 7 SER H H 1 9.659 0.01 . 1 . . . A 7 SER H . 17963 1 34 . 1 1 7 7 SER HA H 1 4.226 0.01 . 1 . . . A 7 SER HA . 17963 1 35 . 1 1 7 7 SER HB2 H 1 3.953 0.01 . 2 . . . A 7 SER HB2 . 17963 1 36 . 1 1 7 7 SER HB3 H 1 3.858 0.01 . 2 . . . A 7 SER HB3 . 17963 1 37 . 1 1 7 7 SER N N 15 123.545 0.1 . 1 . . . A 7 SER N . 17963 1 38 . 1 1 8 8 SER H H 1 7.862 0.01 . 1 . . . A 8 SER H . 17963 1 39 . 1 1 8 8 SER HA H 1 5.137 0.01 . 1 . . . A 8 SER HA . 17963 1 40 . 1 1 8 8 SER HB2 H 1 4.005 0.01 . 2 . . . A 8 SER HB2 . 17963 1 41 . 1 1 8 8 SER HB3 H 1 3.816 0.01 . 2 . . . A 8 SER HB3 . 17963 1 42 . 1 1 8 8 SER N N 15 119.712 0.1 . 1 . . . A 8 SER N . 17963 1 43 . 1 1 9 9 PRO HA H 1 4.559 0.01 . 1 . . . A 9 PRO HA . 17963 1 44 . 1 1 9 9 PRO HB2 H 1 2.392 0.01 . 2 . . . A 9 PRO HB2 . 17963 1 45 . 1 1 9 9 PRO HB3 H 1 2.392 0.01 . 2 . . . A 9 PRO HB3 . 17963 1 46 . 1 1 9 9 PRO HG2 H 1 2.040 0.01 . 2 . . . A 9 PRO HG2 . 17963 1 47 . 1 1 9 9 PRO HG3 H 1 2.040 0.01 . 2 . . . A 9 PRO HG3 . 17963 1 48 . 1 1 9 9 PRO HD2 H 1 3.965 0.01 . 2 . . . A 9 PRO HD2 . 17963 1 49 . 1 1 9 9 PRO HD3 H 1 3.824 0.01 . 2 . . . A 9 PRO HD3 . 17963 1 50 . 1 1 10 10 GLU H H 1 8.244 0.01 . 1 . . . A 10 GLU H . 17963 1 51 . 1 1 10 10 GLU HA H 1 4.294 0.01 . 1 . . . A 10 GLU HA . 17963 1 52 . 1 1 10 10 GLU HB2 H 1 2.201 0.01 . 2 . . . A 10 GLU HB2 . 17963 1 53 . 1 1 10 10 GLU HB3 H 1 2.031 0.01 . 2 . . . A 10 GLU HB3 . 17963 1 54 . 1 1 10 10 GLU HG2 H 1 2.261 0.01 . 2 . . . A 10 GLU HG2 . 17963 1 55 . 1 1 10 10 GLU HG3 H 1 2.261 0.01 . 2 . . . A 10 GLU HG3 . 17963 1 56 . 1 1 10 10 GLU N N 15 120.855 0.1 . 1 . . . A 10 GLU N . 17963 1 57 . 1 1 11 11 ASN H H 1 7.260 0.01 . 1 . . . A 11 ASN H . 17963 1 58 . 1 1 11 11 ASN HA H 1 4.794 0.01 . 1 . . . A 11 ASN HA . 17963 1 59 . 1 1 11 11 ASN HB2 H 1 3.146 0.01 . 2 . . . A 11 ASN HB2 . 17963 1 60 . 1 1 11 11 ASN HB3 H 1 2.872 0.01 . 2 . . . A 11 ASN HB3 . 17963 1 61 . 1 1 11 11 ASN HD21 H 1 7.438 0.01 . 2 . . . A 11 ASN HD21 . 17963 1 62 . 1 1 11 11 ASN HD22 H 1 8.296 0.01 . 2 . . . A 11 ASN HD22 . 17963 1 63 . 1 1 11 11 ASN N N 15 124.776 0.1 . 1 . . . A 11 ASN N . 17963 1 64 . 1 1 11 11 ASN ND2 N 15 118.519 0.1 . 1 . . . A 11 ASN ND2 . 17963 1 65 . 1 1 12 12 PRO HA H 1 4.704 0.01 . 1 . . . A 12 PRO HA . 17963 1 66 . 1 1 12 12 PRO HB2 H 1 2.393 0.01 . 2 . . . A 12 PRO HB2 . 17963 1 67 . 1 1 12 12 PRO HB3 H 1 1.979 0.01 . 2 . . . A 12 PRO HB3 . 17963 1 68 . 1 1 12 12 PRO HG2 H 1 2.151 0.01 . 2 . . . A 12 PRO HG2 . 17963 1 69 . 1 1 12 12 PRO HG3 H 1 2.151 0.01 . 2 . . . A 12 PRO HG3 . 17963 1 70 . 1 1 12 12 PRO HD2 H 1 4.165 0.01 . 2 . . . A 12 PRO HD2 . 17963 1 71 . 1 1 12 12 PRO HD3 H 1 3.969 0.01 . 2 . . . A 12 PRO HD3 . 17963 1 72 . 1 1 13 13 CYS H H 1 8.931 0.01 . 1 . . . A 13 CYS H . 17963 1 73 . 1 1 13 13 CYS HA H 1 4.648 0.01 . 1 . . . A 13 CYS HA . 17963 1 74 . 1 1 13 13 CYS HB2 H 1 3.222 0.01 . 2 . . . A 13 CYS HB2 . 17963 1 75 . 1 1 13 13 CYS HB3 H 1 2.578 0.01 . 2 . . . A 13 CYS HB3 . 17963 1 76 . 1 1 13 13 CYS N N 15 121.945 0.1 . 1 . . . A 13 CYS N . 17963 1 77 . 1 1 14 14 CYS H H 1 7.543 0.01 . 1 . . . A 14 CYS H . 17963 1 78 . 1 1 14 14 CYS HA H 1 5.056 0.01 . 1 . . . A 14 CYS HA . 17963 1 79 . 1 1 14 14 CYS HB2 H 1 2.95 0.01 . 2 . . . A 14 CYS HB2 . 17963 1 80 . 1 1 14 14 CYS HB3 H 1 2.89 0.01 . 2 . . . A 14 CYS HB3 . 17963 1 81 . 1 1 14 14 CYS N N 15 116.46 0.1 . 1 . . . A 14 CYS N . 17963 1 82 . 1 1 15 15 ASP H H 1 8.212 0.01 . 1 . . . A 15 ASP H . 17963 1 83 . 1 1 15 15 ASP HA H 1 4.570 0.01 . 1 . . . A 15 ASP HA . 17963 1 84 . 1 1 15 15 ASP HB2 H 1 3.144 0.01 . 2 . . . A 15 ASP HB2 . 17963 1 85 . 1 1 15 15 ASP HB3 H 1 2.481 0.01 . 2 . . . A 15 ASP HB3 . 17963 1 86 . 1 1 15 15 ASP N N 15 125.197 0.1 . 1 . . . A 15 ASP N . 17963 1 87 . 1 1 16 16 ALA H H 1 8.996 0.01 . 1 . . . A 16 ALA H . 17963 1 88 . 1 1 16 16 ALA HA H 1 4.148 0.01 . 1 . . . A 16 ALA HA . 17963 1 89 . 1 1 16 16 ALA HB1 H 1 1.546 0.01 . 1 . . . A 16 ALA HB1 . 17963 1 90 . 1 1 16 16 ALA HB2 H 1 1.546 0.01 . 1 . . . A 16 ALA HB2 . 17963 1 91 . 1 1 16 16 ALA HB3 H 1 1.546 0.01 . 1 . . . A 16 ALA HB3 . 17963 1 92 . 1 1 16 16 ALA N N 15 135.341 0.1 . 1 . . . A 16 ALA N . 17963 1 93 . 1 1 17 17 ALA H H 1 8.669 0.01 . 1 . . . A 17 ALA H . 17963 1 94 . 1 1 17 17 ALA HA H 1 4.361 0.01 . 1 . . . A 17 ALA HA . 17963 1 95 . 1 1 17 17 ALA HB1 H 1 1.544 0.01 . 1 . . . A 17 ALA HB1 . 17963 1 96 . 1 1 17 17 ALA HB2 H 1 1.544 0.01 . 1 . . . A 17 ALA HB2 . 17963 1 97 . 1 1 17 17 ALA HB3 H 1 1.544 0.01 . 1 . . . A 17 ALA HB3 . 17963 1 98 . 1 1 17 17 ALA N N 15 121.91 0.1 . 1 . . . A 17 ALA N . 17963 1 99 . 1 1 18 18 THR H H 1 7.743 0.01 . 1 . . . A 18 THR H . 17963 1 100 . 1 1 18 18 THR HA H 1 4.445 0.01 . 1 . . . A 18 THR HA . 17963 1 101 . 1 1 18 18 THR HB H 1 4.34 0.01 . 1 . . . A 18 THR HB . 17963 1 102 . 1 1 18 18 THR HG21 H 1 1.198 0.01 . 1 . . . A 18 THR HG21 . 17963 1 103 . 1 1 18 18 THR HG22 H 1 1.198 0.01 . 1 . . . A 18 THR HG22 . 17963 1 104 . 1 1 18 18 THR HG23 H 1 1.198 0.01 . 1 . . . A 18 THR HG23 . 17963 1 105 . 1 1 18 18 THR N N 15 109.481 0.1 . 1 . . . A 18 THR N . 17963 1 106 . 1 1 19 19 CYS H H 1 8.601 0.01 . 1 . . . A 19 CYS H . 17963 1 107 . 1 1 19 19 CYS HA H 1 4.642 0.01 . 1 . . . A 19 CYS HA . 17963 1 108 . 1 1 19 19 CYS HB2 H 1 3.543 0.01 . 2 . . . A 19 CYS HB2 . 17963 1 109 . 1 1 19 19 CYS HB3 H 1 3.323 0.01 . 2 . . . A 19 CYS HB3 . 17963 1 110 . 1 1 19 19 CYS N N 15 123.176 0.1 . 1 . . . A 19 CYS N . 17963 1 111 . 1 1 20 20 LYS H H 1 7.964 0.01 . 1 . . . A 20 LYS H . 17963 1 112 . 1 1 20 20 LYS HA H 1 4.945 0.01 . 1 . . . A 20 LYS HA . 17963 1 113 . 1 1 20 20 LYS HB2 H 1 1.984 0.01 . 2 . . . A 20 LYS HB2 . 17963 1 114 . 1 1 20 20 LYS HB3 H 1 1.536 0.01 . 2 . . . A 20 LYS HB3 . 17963 1 115 . 1 1 20 20 LYS HD2 H 1 1.675 0.01 . 2 . . . A 20 LYS HD2 . 17963 1 116 . 1 1 20 20 LYS HD3 H 1 1.675 0.01 . 2 . . . A 20 LYS HD3 . 17963 1 117 . 1 1 20 20 LYS N N 15 122.525 0.1 . 1 . . . A 20 LYS N . 17963 1 118 . 1 1 21 21 LEU H H 1 9.211 0.01 . 1 . . . A 21 LEU H . 17963 1 119 . 1 1 21 21 LEU HA H 1 4.285 0.01 . 1 . . . A 21 LEU HA . 17963 1 120 . 1 1 21 21 LEU HB2 H 1 1.424 0.01 . 2 . . . A 21 LEU HB2 . 17963 1 121 . 1 1 21 21 LEU HB3 H 1 1.424 0.01 . 2 . . . A 21 LEU HB3 . 17963 1 122 . 1 1 21 21 LEU HG H 1 1.681 0.01 . 1 . . . A 21 LEU HG . 17963 1 123 . 1 1 21 21 LEU HD11 H 1 0.632 0.01 . 2 . . . A 21 LEU HD11 . 17963 1 124 . 1 1 21 21 LEU HD12 H 1 0.632 0.01 . 2 . . . A 21 LEU HD12 . 17963 1 125 . 1 1 21 21 LEU HD13 H 1 0.632 0.01 . 2 . . . A 21 LEU HD13 . 17963 1 126 . 1 1 21 21 LEU HD21 H 1 0.519 0.01 . 2 . . . A 21 LEU HD21 . 17963 1 127 . 1 1 21 21 LEU HD22 H 1 0.519 0.01 . 2 . . . A 21 LEU HD22 . 17963 1 128 . 1 1 21 21 LEU HD23 H 1 0.519 0.01 . 2 . . . A 21 LEU HD23 . 17963 1 129 . 1 1 21 21 LEU N N 15 124.582 0.1 . 1 . . . A 21 LEU N . 17963 1 130 . 1 1 22 22 ARG H H 1 8.490 0.01 . 1 . . . A 22 ARG H . 17963 1 131 . 1 1 22 22 ARG HA H 1 4.448 0.01 . 1 . . . A 22 ARG HA . 17963 1 132 . 1 1 22 22 ARG HB2 H 1 1.719 0.01 . 2 . . . A 22 ARG HB2 . 17963 1 133 . 1 1 22 22 ARG HB3 H 1 1.627 0.01 . 2 . . . A 22 ARG HB3 . 17963 1 134 . 1 1 22 22 ARG HD2 H 1 3.249 0.01 . 2 . . . A 22 ARG HD2 . 17963 1 135 . 1 1 22 22 ARG HD3 H 1 3.172 0.01 . 2 . . . A 22 ARG HD3 . 17963 1 136 . 1 1 22 22 ARG HE H 1 6.925 0.01 . 1 . . . A 22 ARG HE . 17963 1 137 . 1 1 22 22 ARG N N 15 126.604 0.1 . 1 . . . A 22 ARG N . 17963 1 138 . 1 1 22 22 ARG NE N 15 125.132 0.1 . 1 . . . A 22 ARG NE . 17963 1 139 . 1 1 23 23 PRO HA H 1 4.389 0.01 . 1 . . . A 23 PRO HA . 17963 1 140 . 1 1 23 23 PRO HB2 H 1 2.378 0.01 . 2 . . . A 23 PRO HB2 . 17963 1 141 . 1 1 23 23 PRO HB3 H 1 1.921 0.01 . 2 . . . A 23 PRO HB3 . 17963 1 142 . 1 1 23 23 PRO HG2 H 1 2.091 0.01 . 2 . . . A 23 PRO HG2 . 17963 1 143 . 1 1 23 23 PRO HG3 H 1 2.091 0.01 . 2 . . . A 23 PRO HG3 . 17963 1 144 . 1 1 24 24 GLY H H 1 8.830 0.01 . 1 . . . A 24 GLY H . 17963 1 145 . 1 1 24 24 GLY HA2 H 1 3.664 0.01 . 2 . . . A 24 GLY HA2 . 17963 1 146 . 1 1 24 24 GLY HA3 H 1 4.295 0.01 . 2 . . . A 24 GLY HA3 . 17963 1 147 . 1 1 24 24 GLY N N 15 117.708 0.1 . 1 . . . A 24 GLY N . 17963 1 148 . 1 1 25 25 ALA H H 1 7.942 0.01 . 1 . . . A 25 ALA H . 17963 1 149 . 1 1 25 25 ALA HA H 1 4.540 0.01 . 1 . . . A 25 ALA HA . 17963 1 150 . 1 1 25 25 ALA HB1 H 1 1.621 0.01 . 1 . . . A 25 ALA HB1 . 17963 1 151 . 1 1 25 25 ALA HB2 H 1 1.621 0.01 . 1 . . . A 25 ALA HB2 . 17963 1 152 . 1 1 25 25 ALA HB3 H 1 1.621 0.01 . 1 . . . A 25 ALA HB3 . 17963 1 153 . 1 1 25 25 ALA N N 15 127.553 0.1 . 1 . . . A 25 ALA N . 17963 1 154 . 1 1 26 26 GLN H H 1 8.827 0.01 . 1 . . . A 26 GLN H . 17963 1 155 . 1 1 26 26 GLN HA H 1 4.113 0.01 . 1 . . . A 26 GLN HA . 17963 1 156 . 1 1 26 26 GLN HB2 H 1 1.236 0.01 . 2 . . . A 26 GLN HB2 . 17963 1 157 . 1 1 26 26 GLN HB3 H 1 0.574 0.01 . 2 . . . A 26 GLN HB3 . 17963 1 158 . 1 1 26 26 GLN HG2 H 1 2.168 0.01 . 2 . . . A 26 GLN HG2 . 17963 1 159 . 1 1 26 26 GLN HG3 H 1 2.056 0.01 . 2 . . . A 26 GLN HG3 . 17963 1 160 . 1 1 26 26 GLN HE21 H 1 7.717 0.01 . 2 . . . A 26 GLN HE21 . 17963 1 161 . 1 1 26 26 GLN HE22 H 1 6.988 0.01 . 2 . . . A 26 GLN HE22 . 17963 1 162 . 1 1 26 26 GLN N N 15 122.086 0.1 . 1 . . . A 26 GLN N . 17963 1 163 . 1 1 26 26 GLN NE2 N 15 117.676 0.1 . 1 . . . A 26 GLN NE2 . 17963 1 164 . 1 1 27 27 CYS H H 1 7.805 0.01 . 1 . . . A 27 CYS H . 17963 1 165 . 1 1 27 27 CYS HA H 1 4.555 0.01 . 1 . . . A 27 CYS HA . 17963 1 166 . 1 1 27 27 CYS HB2 H 1 3.287 0.01 . 2 . . . A 27 CYS HB2 . 17963 1 167 . 1 1 27 27 CYS HB3 H 1 3.153 0.01 . 2 . . . A 27 CYS HB3 . 17963 1 168 . 1 1 27 27 CYS N N 15 117.409 0.1 . 1 . . . A 27 CYS N . 17963 1 169 . 1 1 28 28 GLY H H 1 9.163 0.01 . 1 . . . A 28 GLY H . 17963 1 170 . 1 1 28 28 GLY HA2 H 1 4.446 0.01 . 2 . . . A 28 GLY HA2 . 17963 1 171 . 1 1 28 28 GLY HA3 H 1 3.574 0.01 . 2 . . . A 28 GLY HA3 . 17963 1 172 . 1 1 28 28 GLY N N 15 109.041 0.1 . 1 . . . A 28 GLY N . 17963 1 173 . 1 1 29 29 GLU H H 1 7.844 0.01 . 1 . . . A 29 GLU H . 17963 1 174 . 1 1 29 29 GLU HA H 1 4.782 0.01 . 1 . . . A 29 GLU HA . 17963 1 175 . 1 1 29 29 GLU HB2 H 1 2.311 0.01 . 2 . . . A 29 GLU HB2 . 17963 1 176 . 1 1 29 29 GLU HB3 H 1 1.981 0.01 . 2 . . . A 29 GLU HB3 . 17963 1 177 . 1 1 29 29 GLU HG2 H 1 2.260 0.01 . 2 . . . A 29 GLU HG2 . 17963 1 178 . 1 1 29 29 GLU HG3 H 1 2.171 0.01 . 2 . . . A 29 GLU HG3 . 17963 1 179 . 1 1 29 29 GLU N N 15 122.174 0.1 . 1 . . . A 29 GLU N . 17963 1 180 . 1 1 30 30 GLY H H 1 8.391 0.01 . 1 . . . A 30 GLY H . 17963 1 181 . 1 1 30 30 GLY HA2 H 1 4.915 0.01 . 2 . . . A 30 GLY HA2 . 17963 1 182 . 1 1 30 30 GLY HA3 H 1 3.925 0.01 . 2 . . . A 30 GLY HA3 . 17963 1 183 . 1 1 30 30 GLY N N 15 112.663 0.1 . 1 . . . A 30 GLY N . 17963 1 184 . 1 1 31 31 LEU H H 1 8.960 0.01 . 1 . . . A 31 LEU H . 17963 1 185 . 1 1 31 31 LEU HA H 1 4.354 0.01 . 1 . . . A 31 LEU HA . 17963 1 186 . 1 1 31 31 LEU HB2 H 1 1.829 0.01 . 2 . . . A 31 LEU HB2 . 17963 1 187 . 1 1 31 31 LEU HB3 H 1 1.741 0.01 . 2 . . . A 31 LEU HB3 . 17963 1 188 . 1 1 31 31 LEU HG H 1 1.987 0.01 . 1 . . . A 31 LEU HG . 17963 1 189 . 1 1 31 31 LEU HD11 H 1 1.142 0.01 . 2 . . . A 31 LEU HD11 . 17963 1 190 . 1 1 31 31 LEU HD12 H 1 1.142 0.01 . 2 . . . A 31 LEU HD12 . 17963 1 191 . 1 1 31 31 LEU HD13 H 1 1.142 0.01 . 2 . . . A 31 LEU HD13 . 17963 1 192 . 1 1 31 31 LEU HD21 H 1 1.142 0.01 . 2 . . . A 31 LEU HD21 . 17963 1 193 . 1 1 31 31 LEU HD22 H 1 1.142 0.01 . 2 . . . A 31 LEU HD22 . 17963 1 194 . 1 1 31 31 LEU HD23 H 1 1.142 0.01 . 2 . . . A 31 LEU HD23 . 17963 1 195 . 1 1 31 31 LEU N N 15 125.039 0.1 . 1 . . . A 31 LEU N . 17963 1 196 . 1 1 32 32 CYS H H 1 8.467 0.01 . 1 . . . A 32 CYS H . 17963 1 197 . 1 1 32 32 CYS HA H 1 5.108 0.01 . 1 . . . A 32 CYS HA . 17963 1 198 . 1 1 32 32 CYS HB2 H 1 3.894 0.01 . 2 . . . A 32 CYS HB2 . 17963 1 199 . 1 1 32 32 CYS HB3 H 1 2.509 0.01 . 2 . . . A 32 CYS HB3 . 17963 1 200 . 1 1 32 32 CYS N N 15 119.167 0.1 . 1 . . . A 32 CYS N . 17963 1 201 . 1 1 33 33 CYS H H 1 7.365 0.01 . 1 . . . A 33 CYS H . 17963 1 202 . 1 1 33 33 CYS HA H 1 5.291 0.01 . 1 . . . A 33 CYS HA . 17963 1 203 . 1 1 33 33 CYS HB2 H 1 2.994 0.01 . 2 . . . A 33 CYS HB2 . 17963 1 204 . 1 1 33 33 CYS HB3 H 1 2.560 0.01 . 2 . . . A 33 CYS HB3 . 17963 1 205 . 1 1 33 33 CYS N N 15 125.303 0.1 . 1 . . . A 33 CYS N . 17963 1 206 . 1 1 34 34 GLU H H 1 9.742 0.01 . 1 . . . A 34 GLU H . 17963 1 207 . 1 1 34 34 GLU HA H 1 4.682 0.01 . 1 . . . A 34 GLU HA . 17963 1 208 . 1 1 34 34 GLU HB2 H 1 2.055 0.01 . 2 . . . A 34 GLU HB2 . 17963 1 209 . 1 1 34 34 GLU HB3 H 1 1.911 0.01 . 2 . . . A 34 GLU HB3 . 17963 1 210 . 1 1 34 34 GLU HG2 H 1 2.228 0.01 . 2 . . . A 34 GLU HG2 . 17963 1 211 . 1 1 34 34 GLU HG3 H 1 2.228 0.01 . 2 . . . A 34 GLU HG3 . 17963 1 212 . 1 1 34 34 GLU N N 15 132.652 0.1 . 1 . . . A 34 GLU N . 17963 1 213 . 1 1 35 35 GLN H H 1 9.453 0.01 . 1 . . . A 35 GLN H . 17963 1 214 . 1 1 35 35 GLN HA H 1 3.999 0.01 . 1 . . . A 35 GLN HA . 17963 1 215 . 1 1 35 35 GLN HB2 H 1 2.399 0.01 . 2 . . . A 35 GLN HB2 . 17963 1 216 . 1 1 35 35 GLN HB3 H 1 2.128 0.01 . 2 . . . A 35 GLN HB3 . 17963 1 217 . 1 1 35 35 GLN HG2 H 1 2.241 0.01 . 2 . . . A 35 GLN HG2 . 17963 1 218 . 1 1 35 35 GLN HG3 H 1 2.241 0.01 . 2 . . . A 35 GLN HG3 . 17963 1 219 . 1 1 35 35 GLN N N 15 129.593 0.1 . 1 . . . A 35 GLN N . 17963 1 220 . 1 1 35 35 GLN NE2 N 15 116.264 0.1 . 1 . . . A 35 GLN NE2 . 17963 1 221 . 1 1 36 36 CYS H H 1 8.492 0.01 . 1 . . . A 36 CYS H . 17963 1 222 . 1 1 36 36 CYS HA H 1 4.801 0.01 . 1 . . . A 36 CYS HA . 17963 1 223 . 1 1 36 36 CYS HB2 H 1 3.763 0.01 . 2 . . . A 36 CYS HB2 . 17963 1 224 . 1 1 36 36 CYS HB3 H 1 3.372 0.01 . 2 . . . A 36 CYS HB3 . 17963 1 225 . 1 1 36 36 CYS N N 15 109.569 0.1 . 1 . . . A 36 CYS N . 17963 1 226 . 1 1 37 37 LYS H H 1 8.024 0.01 . 1 . . . A 37 LYS H . 17963 1 227 . 1 1 37 37 LYS HA H 1 4.703 0.01 . 1 . . . A 37 LYS HA . 17963 1 228 . 1 1 37 37 LYS HB2 H 1 1.88 0.01 . 2 . . . A 37 LYS HB2 . 17963 1 229 . 1 1 37 37 LYS HB3 H 1 1.79 0.01 . 2 . . . A 37 LYS HB3 . 17963 1 230 . 1 1 37 37 LYS HG2 H 1 1.46 0.01 . 2 . . . A 37 LYS HG2 . 17963 1 231 . 1 1 37 37 LYS HG3 H 1 1.54 0.01 . 2 . . . A 37 LYS HG3 . 17963 1 232 . 1 1 37 37 LYS HD2 H 1 1.64 0.01 . 2 . . . A 37 LYS HD2 . 17963 1 233 . 1 1 37 37 LYS HD3 H 1 1.64 0.01 . 2 . . . A 37 LYS HD3 . 17963 1 234 . 1 1 37 37 LYS HE2 H 1 3.039 0.01 . 2 . . . A 37 LYS HE2 . 17963 1 235 . 1 1 37 37 LYS HE3 H 1 3.039 0.01 . 2 . . . A 37 LYS HE3 . 17963 1 236 . 1 1 37 37 LYS N N 15 125.11 0.1 . 1 . . . A 37 LYS N . 17963 1 237 . 1 1 38 38 PHE H H 1 8.276 0.01 . 1 . . . A 38 PHE H . 17963 1 238 . 1 1 38 38 PHE HA H 1 5.141 0.01 . 1 . . . A 38 PHE HA . 17963 1 239 . 1 1 38 38 PHE HB2 H 1 3.050 0.01 . 2 . . . A 38 PHE HB2 . 17963 1 240 . 1 1 38 38 PHE HB3 H 1 2.724 0.01 . 2 . . . A 38 PHE HB3 . 17963 1 241 . 1 1 38 38 PHE HD1 H 1 7.029 0.01 . 3 . . . A 38 PHE HD1 . 17963 1 242 . 1 1 38 38 PHE HD2 H 1 7.029 0.01 . 3 . . . A 38 PHE HD2 . 17963 1 243 . 1 1 38 38 PHE HE1 H 1 7.261 0.01 . 3 . . . A 38 PHE HE1 . 17963 1 244 . 1 1 38 38 PHE HE2 H 1 7.261 0.01 . 3 . . . A 38 PHE HE2 . 17963 1 245 . 1 1 38 38 PHE N N 15 123.897 0.1 . 1 . . . A 38 PHE N . 17963 1 246 . 1 1 39 39 SER H H 1 9.044 0.01 . 1 . . . A 39 SER H . 17963 1 247 . 1 1 39 39 SER HA H 1 4.274 0.01 . 1 . . . A 39 SER HA . 17963 1 248 . 1 1 39 39 SER HB2 H 1 3.932 0.01 . 2 . . . A 39 SER HB2 . 17963 1 249 . 1 1 39 39 SER HB3 H 1 3.765 0.01 . 2 . . . A 39 SER HB3 . 17963 1 250 . 1 1 39 39 SER N N 15 125.655 0.1 . 1 . . . A 39 SER N . 17963 1 251 . 1 1 40 40 ARG H H 1 8.573 0.01 . 1 . . . A 40 ARG H . 17963 1 252 . 1 1 40 40 ARG HA H 1 4.101 0.01 . 1 . . . A 40 ARG HA . 17963 1 253 . 1 1 40 40 ARG HB2 H 1 1.82 0.01 . 2 . . . A 40 ARG HB2 . 17963 1 254 . 1 1 40 40 ARG HB3 H 1 1.82 0.01 . 2 . . . A 40 ARG HB3 . 17963 1 255 . 1 1 40 40 ARG HG2 H 1 1.688 0.01 . 2 . . . A 40 ARG HG2 . 17963 1 256 . 1 1 40 40 ARG HG3 H 1 1.688 0.01 . 2 . . . A 40 ARG HG3 . 17963 1 257 . 1 1 40 40 ARG HD2 H 1 3.269 0.01 . 2 . . . A 40 ARG HD2 . 17963 1 258 . 1 1 40 40 ARG HD3 H 1 3.269 0.01 . 2 . . . A 40 ARG HD3 . 17963 1 259 . 1 1 40 40 ARG N N 15 125.848 0.1 . 1 . . . A 40 ARG N . 17963 1 260 . 1 1 41 41 ALA H H 1 8.501 0.01 . 1 . . . A 41 ALA H . 17963 1 261 . 1 1 41 41 ALA HA H 1 3.724 0.01 . 1 . . . A 41 ALA HA . 17963 1 262 . 1 1 41 41 ALA HB1 H 1 1.298 0.01 . 1 . . . A 41 ALA HB1 . 17963 1 263 . 1 1 41 41 ALA HB2 H 1 1.298 0.01 . 1 . . . A 41 ALA HB2 . 17963 1 264 . 1 1 41 41 ALA HB3 H 1 1.298 0.01 . 1 . . . A 41 ALA HB3 . 17963 1 265 . 1 1 41 41 ALA N N 15 127.729 0.1 . 1 . . . A 41 ALA N . 17963 1 266 . 1 1 42 42 GLY H H 1 8.619 0.01 . 1 . . . A 42 GLY H . 17963 1 267 . 1 1 42 42 GLY HA2 H 1 4.486 0.01 . 2 . . . A 42 GLY HA2 . 17963 1 268 . 1 1 42 42 GLY HA3 H 1 3.587 0.01 . 2 . . . A 42 GLY HA3 . 17963 1 269 . 1 1 42 42 GLY N N 15 114.579 0.1 . 1 . . . A 42 GLY N . 17963 1 270 . 1 1 43 43 LYS H H 1 7.535 0.01 . 1 . . . A 43 LYS H . 17963 1 271 . 1 1 43 43 LYS HA H 1 4.149 0.01 . 1 . . . A 43 LYS HA . 17963 1 272 . 1 1 43 43 LYS HB2 H 1 1.87 0.01 . 2 . . . A 43 LYS HB2 . 17963 1 273 . 1 1 43 43 LYS HB3 H 1 1.87 0.01 . 2 . . . A 43 LYS HB3 . 17963 1 274 . 1 1 43 43 LYS HG2 H 1 1.529 0.01 . 2 . . . A 43 LYS HG2 . 17963 1 275 . 1 1 43 43 LYS HG3 H 1 1.415 0.01 . 2 . . . A 43 LYS HG3 . 17963 1 276 . 1 1 43 43 LYS HD2 H 1 1.697 0.01 . 2 . . . A 43 LYS HD2 . 17963 1 277 . 1 1 43 43 LYS HD3 H 1 1.697 0.01 . 2 . . . A 43 LYS HD3 . 17963 1 278 . 1 1 43 43 LYS HE2 H 1 3.117 0.01 . 2 . . . A 43 LYS HE2 . 17963 1 279 . 1 1 43 43 LYS HE3 H 1 3.117 0.01 . 2 . . . A 43 LYS HE3 . 17963 1 280 . 1 1 43 43 LYS N N 15 126.78 0.1 . 1 . . . A 43 LYS N . 17963 1 281 . 1 1 44 44 ILE H H 1 8.7 0.01 . 1 . . . A 44 ILE H . 17963 1 282 . 1 1 44 44 ILE HA H 1 4.225 0.01 . 1 . . . A 44 ILE HA . 17963 1 283 . 1 1 44 44 ILE HB H 1 1.754 0.01 . 1 . . . A 44 ILE HB . 17963 1 284 . 1 1 44 44 ILE HG12 H 1 0.979 0.01 . 2 . . . A 44 ILE HG12 . 17963 1 285 . 1 1 44 44 ILE HG13 H 1 0.979 0.01 . 2 . . . A 44 ILE HG13 . 17963 1 286 . 1 1 44 44 ILE HG21 H 1 1.073 0.01 . 1 . . . A 44 ILE HG21 . 17963 1 287 . 1 1 44 44 ILE HG22 H 1 1.073 0.01 . 1 . . . A 44 ILE HG22 . 17963 1 288 . 1 1 44 44 ILE HG23 H 1 1.073 0.01 . 1 . . . A 44 ILE HG23 . 17963 1 289 . 1 1 44 44 ILE HD11 H 1 0.923 0.01 . 1 . . . A 44 ILE HD11 . 17963 1 290 . 1 1 44 44 ILE HD12 H 1 0.923 0.01 . 1 . . . A 44 ILE HD12 . 17963 1 291 . 1 1 44 44 ILE HD13 H 1 0.923 0.01 . 1 . . . A 44 ILE HD13 . 17963 1 292 . 1 1 44 44 ILE N N 15 128.67 0.1 . 1 . . . A 44 ILE N . 17963 1 293 . 1 1 45 45 CYS H H 1 9.13 0.01 . 1 . . . A 45 CYS H . 17963 1 294 . 1 1 45 45 CYS HA H 1 5.069 0.01 . 1 . . . A 45 CYS HA . 17963 1 295 . 1 1 45 45 CYS HB2 H 1 2.918 0.01 . 2 . . . A 45 CYS HB2 . 17963 1 296 . 1 1 45 45 CYS HB3 H 1 3.194 0.01 . 2 . . . A 45 CYS HB3 . 17963 1 297 . 1 1 45 45 CYS N N 15 122.7 0.1 . 1 . . . A 45 CYS N . 17963 1 298 . 1 1 46 46 ARG H H 1 7.63 0.01 . 1 . . . A 46 ARG H . 17963 1 299 . 1 1 46 46 ARG HA H 1 4.443 0.01 . 1 . . . A 46 ARG HA . 17963 1 300 . 1 1 46 46 ARG HB2 H 1 1.899 0.01 . 2 . . . A 46 ARG HB2 . 17963 1 301 . 1 1 46 46 ARG HB3 H 1 1.899 0.01 . 2 . . . A 46 ARG HB3 . 17963 1 302 . 1 1 46 46 ARG HG2 H 1 1.509 0.01 . 2 . . . A 46 ARG HG2 . 17963 1 303 . 1 1 46 46 ARG HG3 H 1 1.671 0.01 . 2 . . . A 46 ARG HG3 . 17963 1 304 . 1 1 46 46 ARG HD2 H 1 3.224 0.01 . 2 . . . A 46 ARG HD2 . 17963 1 305 . 1 1 46 46 ARG HD3 H 1 3.343 0.01 . 2 . . . A 46 ARG HD3 . 17963 1 306 . 1 1 46 46 ARG N N 15 120.71 0.1 . 1 . . . A 46 ARG N . 17963 1 307 . 1 1 47 47 ILE H H 1 8.24 0.01 . 1 . . . A 47 ILE H . 17963 1 308 . 1 1 47 47 ILE HA H 1 4.465 0.01 . 1 . . . A 47 ILE HA . 17963 1 309 . 1 1 47 47 ILE HB H 1 1.831 0.01 . 1 . . . A 47 ILE HB . 17963 1 310 . 1 1 47 47 ILE HG12 H 1 1.472 0.01 . 2 . . . A 47 ILE HG12 . 17963 1 311 . 1 1 47 47 ILE HG13 H 1 1.158 0.01 . 2 . . . A 47 ILE HG13 . 17963 1 312 . 1 1 47 47 ILE HG21 H 1 0.966 0.01 . 1 . . . A 47 ILE HG21 . 17963 1 313 . 1 1 47 47 ILE HG22 H 1 0.966 0.01 . 1 . . . A 47 ILE HG22 . 17963 1 314 . 1 1 47 47 ILE HG23 H 1 0.966 0.01 . 1 . . . A 47 ILE HG23 . 17963 1 315 . 1 1 47 47 ILE HD11 H 1 0.873 0.01 . 1 . . . A 47 ILE HD11 . 17963 1 316 . 1 1 47 47 ILE HD12 H 1 0.873 0.01 . 1 . . . A 47 ILE HD12 . 17963 1 317 . 1 1 47 47 ILE HD13 H 1 0.873 0.01 . 1 . . . A 47 ILE HD13 . 17963 1 318 . 1 1 47 47 ILE N N 15 124.2 0.1 . 1 . . . A 47 ILE N . 17963 1 319 . 1 1 48 48 PRO HA H 1 4.405 0.01 . 1 . . . A 48 PRO HA . 17963 1 320 . 1 1 48 48 PRO HB2 H 1 2.322 0.01 . 2 . . . A 48 PRO HB2 . 17963 1 321 . 1 1 48 48 PRO HB3 H 1 2.322 0.01 . 2 . . . A 48 PRO HB3 . 17963 1 322 . 1 1 48 48 PRO HG2 H 1 1.972 0.01 . 2 . . . A 48 PRO HG2 . 17963 1 323 . 1 1 48 48 PRO HG3 H 1 1.972 0.01 . 2 . . . A 48 PRO HG3 . 17963 1 324 . 1 1 48 48 PRO HD2 H 1 3.819 0.01 . 2 . . . A 48 PRO HD2 . 17963 1 325 . 1 1 48 48 PRO HD3 H 1 3.876 0.01 . 2 . . . A 48 PRO HD3 . 17963 1 326 . 1 1 49 49 ARG H H 1 8.41 0.01 . 1 . . . A 49 ARG H . 17963 1 327 . 1 1 49 49 ARG HA H 1 4.381 0.01 . 1 . . . A 49 ARG HA . 17963 1 328 . 1 1 49 49 ARG HB2 H 1 1.931 0.01 . 2 . . . A 49 ARG HB2 . 17963 1 329 . 1 1 49 49 ARG HB3 H 1 1.931 0.01 . 2 . . . A 49 ARG HB3 . 17963 1 330 . 1 1 49 49 ARG HG2 H 1 1.671 0.01 . 2 . . . A 49 ARG HG2 . 17963 1 331 . 1 1 49 49 ARG HG3 H 1 1.754 0.01 . 2 . . . A 49 ARG HG3 . 17963 1 332 . 1 1 49 49 ARG HD2 H 1 3.221 0.01 . 2 . . . A 49 ARG HD2 . 17963 1 333 . 1 1 49 49 ARG HD3 H 1 3.221 0.01 . 2 . . . A 49 ARG HD3 . 17963 1 334 . 1 1 49 49 ARG N N 15 118.73 0.1 . 1 . . . A 49 ARG N . 17963 1 335 . 1 1 50 50 LEU H H 1 8.27 0.01 . 1 . . . A 50 LEU H . 17963 1 336 . 1 1 50 50 LEU HA H 1 4.112 0.01 . 1 . . . A 50 LEU HA . 17963 1 337 . 1 1 50 50 LEU HB2 H 1 1.583 0.01 . 2 . . . A 50 LEU HB2 . 17963 1 338 . 1 1 50 50 LEU HB3 H 1 1.583 0.01 . 2 . . . A 50 LEU HB3 . 17963 1 339 . 1 1 50 50 LEU HG H 1 1.657 0.01 . 1 . . . A 50 LEU HG . 17963 1 340 . 1 1 50 50 LEU HD11 H 1 0.923 0.01 . 2 . . . A 50 LEU HD11 . 17963 1 341 . 1 1 50 50 LEU HD12 H 1 0.923 0.01 . 2 . . . A 50 LEU HD12 . 17963 1 342 . 1 1 50 50 LEU HD13 H 1 0.923 0.01 . 2 . . . A 50 LEU HD13 . 17963 1 343 . 1 1 50 50 LEU HD21 H 1 0.889 0.01 . 2 . . . A 50 LEU HD21 . 17963 1 344 . 1 1 50 50 LEU HD22 H 1 0.889 0.01 . 2 . . . A 50 LEU HD22 . 17963 1 345 . 1 1 50 50 LEU HD23 H 1 0.889 0.01 . 2 . . . A 50 LEU HD23 . 17963 1 346 . 1 1 50 50 LEU N N 15 120.22 0.1 . 1 . . . A 50 LEU N . 17963 1 347 . 1 1 51 51 ASP H H 1 8.58 0.01 . 1 . . . A 51 ASP H . 17963 1 348 . 1 1 51 51 ASP HA H 1 4.44 0.01 . 1 . . . A 51 ASP HA . 17963 1 349 . 1 1 51 51 ASP HB2 H 1 2.726 0.01 . 2 . . . A 51 ASP HB2 . 17963 1 350 . 1 1 51 51 ASP HB3 H 1 2.810 0.01 . 2 . . . A 51 ASP HB3 . 17963 1 351 . 1 1 51 51 ASP N N 15 116.24 0.1 . 1 . . . A 51 ASP N . 17963 1 352 . 1 1 52 52 MET H H 1 7.68 0.01 . 1 . . . A 52 MET H . 17963 1 353 . 1 1 52 52 MET HA H 1 4.902 0.01 . 1 . . . A 52 MET HA . 17963 1 354 . 1 1 52 52 MET HB2 H 1 1.886 0.01 . 2 . . . A 52 MET HB2 . 17963 1 355 . 1 1 52 52 MET HB3 H 1 1.998 0.01 . 2 . . . A 52 MET HB3 . 17963 1 356 . 1 1 52 52 MET HG2 H 1 2.475 0.01 . 2 . . . A 52 MET HG2 . 17963 1 357 . 1 1 52 52 MET HG3 H 1 2.520 0.01 . 2 . . . A 52 MET HG3 . 17963 1 358 . 1 1 52 52 MET N N 15 118.97 0.1 . 1 . . . A 52 MET N . 17963 1 359 . 1 1 53 53 PRO HA H 1 4.42 0.01 . 1 . . . A 53 PRO HA . 17963 1 360 . 1 1 53 53 PRO HB2 H 1 1.834 0.01 . 2 . . . A 53 PRO HB2 . 17963 1 361 . 1 1 53 53 PRO HB3 H 1 2.188 0.01 . 2 . . . A 53 PRO HB3 . 17963 1 362 . 1 1 53 53 PRO HG2 H 1 1.673 0.01 . 2 . . . A 53 PRO HG2 . 17963 1 363 . 1 1 53 53 PRO HG3 H 1 1.673 0.01 . 2 . . . A 53 PRO HG3 . 17963 1 364 . 1 1 53 53 PRO HD2 H 1 3.413 0.01 . 2 . . . A 53 PRO HD2 . 17963 1 365 . 1 1 53 53 PRO HD3 H 1 3.727 0.01 . 2 . . . A 53 PRO HD3 . 17963 1 366 . 1 1 54 54 ASP H H 1 8.11 0.01 . 1 . . . A 54 ASP H . 17963 1 367 . 1 1 54 54 ASP HA H 1 4.538 0.01 . 1 . . . A 54 ASP HA . 17963 1 368 . 1 1 54 54 ASP HB2 H 1 2.497 0.01 . 2 . . . A 54 ASP HB2 . 17963 1 369 . 1 1 54 54 ASP HB3 H 1 2.662 0.01 . 2 . . . A 54 ASP HB3 . 17963 1 370 . 1 1 54 54 ASP N N 15 118.73 0.1 . 1 . . . A 54 ASP N . 17963 1 371 . 1 1 55 55 ASP H H 1 8.42 0.01 . 1 . . . A 55 ASP H . 17963 1 372 . 1 1 55 55 ASP HA H 1 4.936 0.01 . 1 . . . A 55 ASP HA . 17963 1 373 . 1 1 55 55 ASP HB2 H 1 2.509 0.01 . 2 . . . A 55 ASP HB2 . 17963 1 374 . 1 1 55 55 ASP HB3 H 1 2.874 0.01 . 2 . . . A 55 ASP HB3 . 17963 1 375 . 1 1 55 55 ASP N N 15 120.96 0.1 . 1 . . . A 55 ASP N . 17963 1 376 . 1 1 56 56 ARG H H 1 8.27 0.01 . 1 . . . A 56 ARG H . 17963 1 377 . 1 1 56 56 ARG HA H 1 5.27 0.01 . 1 . . . A 56 ARG HA . 17963 1 378 . 1 1 56 56 ARG HB2 H 1 1.488 0.01 . 2 . . . A 56 ARG HB2 . 17963 1 379 . 1 1 56 56 ARG HB3 H 1 1.488 0.01 . 2 . . . A 56 ARG HB3 . 17963 1 380 . 1 1 56 56 ARG HG2 H 1 1.359 0.01 . 2 . . . A 56 ARG HG2 . 17963 1 381 . 1 1 56 56 ARG HG3 H 1 1.359 0.01 . 2 . . . A 56 ARG HG3 . 17963 1 382 . 1 1 56 56 ARG HD2 H 1 3.033 0.01 . 2 . . . A 56 ARG HD2 . 17963 1 383 . 1 1 56 56 ARG HD3 H 1 3.033 0.01 . 2 . . . A 56 ARG HD3 . 17963 1 384 . 1 1 56 56 ARG N N 15 118.97 0.01 . 1 . . . A 56 ARG N . 17963 1 385 . 1 1 57 57 CYS H H 1 9.26 0.01 . 1 . . . A 57 CYS H . 17963 1 386 . 1 1 57 57 CYS HA H 1 4.803 0.01 . 1 . . . A 57 CYS HA . 17963 1 387 . 1 1 57 57 CYS HB2 H 1 2.675 0.01 . 2 . . . A 57 CYS HB2 . 17963 1 388 . 1 1 57 57 CYS HB3 H 1 3.829 0.01 . 2 . . . A 57 CYS HB3 . 17963 1 389 . 1 1 57 57 CYS N N 15 119.22 0.1 . 1 . . . A 57 CYS N . 17963 1 390 . 1 1 58 58 THR H H 1 10.180 0.01 . 1 . . . A 58 THR H . 17963 1 391 . 1 1 58 58 THR HA H 1 4.442 0.01 . 1 . . . A 58 THR HA . 17963 1 392 . 1 1 58 58 THR HB H 1 4.510 0.01 . 1 . . . A 58 THR HB . 17963 1 393 . 1 1 58 58 THR HG21 H 1 1.415 0.01 . 1 . . . A 58 THR HG21 . 17963 1 394 . 1 1 58 58 THR HG22 H 1 1.415 0.01 . 1 . . . A 58 THR HG22 . 17963 1 395 . 1 1 58 58 THR HG23 H 1 1.415 0.01 . 1 . . . A 58 THR HG23 . 17963 1 396 . 1 1 58 58 THR N N 15 117.445 0.1 . 1 . . . A 58 THR N . 17963 1 397 . 1 1 59 59 GLY H H 1 8.546 0.01 . 1 . . . A 59 GLY H . 17963 1 398 . 1 1 59 59 GLY HA2 H 1 4.460 0.01 . 2 . . . A 59 GLY HA2 . 17963 1 399 . 1 1 59 59 GLY HA3 H 1 4.460 0.01 . 2 . . . A 59 GLY HA3 . 17963 1 400 . 1 1 59 59 GLY N N 15 115.88 0.1 . 1 . . . A 59 GLY N . 17963 1 401 . 1 1 60 60 GLN H H 1 7.986 0.01 . 1 . . . A 60 GLN H . 17963 1 402 . 1 1 60 60 GLN HA H 1 4.298 0.01 . 1 . . . A 60 GLN HA . 17963 1 403 . 1 1 60 60 GLN HB2 H 1 2.215 0.01 . 2 . . . A 60 GLN HB2 . 17963 1 404 . 1 1 60 60 GLN HB3 H 1 1.692 0.01 . 2 . . . A 60 GLN HB3 . 17963 1 405 . 1 1 60 60 GLN N N 15 119.027 0.1 . 1 . . . A 60 GLN N . 17963 1 406 . 1 1 60 60 GLN NE2 N 15 115.688 0.1 . 1 . . . A 60 GLN NE2 . 17963 1 407 . 1 1 61 61 SER H H 1 6.630 0.01 . 1 . . . A 61 SER H . 17963 1 408 . 1 1 61 61 SER HA H 1 3.88 0.01 . 1 . . . A 61 SER HA . 17963 1 409 . 1 1 61 61 SER HB2 H 1 3.88 0.01 . 2 . . . A 61 SER HB2 . 17963 1 410 . 1 1 61 61 SER HB3 H 1 3.621 0.01 . 2 . . . A 61 SER HB3 . 17963 1 411 . 1 1 61 61 SER N N 15 114.913 0.1 . 1 . . . A 61 SER N . 17963 1 412 . 1 1 62 62 ALA H H 1 9.027 0.01 . 1 . . . A 62 ALA H . 17963 1 413 . 1 1 62 62 ALA HA H 1 4.435 0.01 . 1 . . . A 62 ALA HA . 17963 1 414 . 1 1 62 62 ALA HB1 H 1 1.827 0.01 . 1 . . . A 62 ALA HB1 . 17963 1 415 . 1 1 62 62 ALA HB2 H 1 1.827 0.01 . 1 . . . A 62 ALA HB2 . 17963 1 416 . 1 1 62 62 ALA HB3 H 1 1.827 0.01 . 1 . . . A 62 ALA HB3 . 17963 1 417 . 1 1 62 62 ALA N N 15 129.628 0.1 . 1 . . . A 62 ALA N . 17963 1 418 . 1 1 63 63 ASP H H 1 8.08 0.01 . 1 . . . A 63 ASP H . 17963 1 419 . 1 1 63 63 ASP HA H 1 4.895 0.01 . 1 . . . A 63 ASP HA . 17963 1 420 . 1 1 63 63 ASP HB2 H 1 2.671 0.01 . 2 . . . A 63 ASP HB2 . 17963 1 421 . 1 1 63 63 ASP HB3 H 1 2.543 0.01 . 2 . . . A 63 ASP HB3 . 17963 1 422 . 1 1 63 63 ASP N N 15 121.506 0.1 . 1 . . . A 63 ASP N . 17963 1 423 . 1 1 64 64 CYS H H 1 8.924 0.01 . 1 . . . A 64 CYS H . 17963 1 424 . 1 1 64 64 CYS HA H 1 5.403 0.01 . 1 . . . A 64 CYS HA . 17963 1 425 . 1 1 64 64 CYS HB2 H 1 3.103 0.01 . 2 . . . A 64 CYS HB2 . 17963 1 426 . 1 1 64 64 CYS HB3 H 1 2.802 0.01 . 2 . . . A 64 CYS HB3 . 17963 1 427 . 1 1 64 64 CYS N N 15 125.936 0.1 . 1 . . . A 64 CYS N . 17963 1 428 . 1 1 65 65 PRO HA H 1 4.375 0.01 . 1 . . . A 65 PRO HA . 17963 1 429 . 1 1 65 65 PRO HB2 H 1 2.216 0.01 . 2 . . . A 65 PRO HB2 . 17963 1 430 . 1 1 65 65 PRO HB3 H 1 1.802 0.01 . 2 . . . A 65 PRO HB3 . 17963 1 431 . 1 1 65 65 PRO HG2 H 1 2.130 0.01 . 2 . . . A 65 PRO HG2 . 17963 1 432 . 1 1 65 65 PRO HG3 H 1 2.014 0.01 . 2 . . . A 65 PRO HG3 . 17963 1 433 . 1 1 65 65 PRO HD2 H 1 3.994 0.01 . 2 . . . A 65 PRO HD2 . 17963 1 434 . 1 1 65 65 PRO HD3 H 1 3.733 0.01 . 2 . . . A 65 PRO HD3 . 17963 1 435 . 1 1 66 66 ARG H H 1 8.203 0.01 . 1 . . . A 66 ARG H . 17963 1 436 . 1 1 66 66 ARG HA H 1 4.362 0.01 . 1 . . . A 66 ARG HA . 17963 1 437 . 1 1 66 66 ARG HB2 H 1 1.82 0.01 . 2 . . . A 66 ARG HB2 . 17963 1 438 . 1 1 66 66 ARG HB3 H 1 1.76 0.01 . 2 . . . A 66 ARG HB3 . 17963 1 439 . 1 1 66 66 ARG HG2 H 1 1.641 0.01 . 2 . . . A 66 ARG HG2 . 17963 1 440 . 1 1 66 66 ARG HG3 H 1 1.641 0.01 . 2 . . . A 66 ARG HG3 . 17963 1 441 . 1 1 66 66 ARG HD2 H 1 3.21 0.01 . 2 . . . A 66 ARG HD2 . 17963 1 442 . 1 1 66 66 ARG HD3 H 1 3.21 0.01 . 2 . . . A 66 ARG HD3 . 17963 1 443 . 1 1 66 66 ARG N N 15 123.58 0.1 . 1 . . . A 66 ARG N . 17963 1 444 . 1 1 67 67 TYR H H 1 8.650 0.01 . 1 . . . A 67 TYR H . 17963 1 445 . 1 1 67 67 TYR HA H 1 4.459 0.01 . 1 . . . A 67 TYR HA . 17963 1 446 . 1 1 67 67 TYR HB2 H 1 3.135 0.01 . 2 . . . A 67 TYR HB2 . 17963 1 447 . 1 1 67 67 TYR HB3 H 1 3.006 0.01 . 2 . . . A 67 TYR HB3 . 17963 1 448 . 1 1 67 67 TYR HD1 H 1 7.163 0.01 . 3 . . . A 67 TYR HD1 . 17963 1 449 . 1 1 67 67 TYR HD2 H 1 7.163 0.01 . 3 . . . A 67 TYR HD2 . 17963 1 450 . 1 1 67 67 TYR HE1 H 1 6.863 0.01 . 3 . . . A 67 TYR HE1 . 17963 1 451 . 1 1 67 67 TYR HE2 H 1 6.863 0.01 . 3 . . . A 67 TYR HE2 . 17963 1 452 . 1 1 67 67 TYR N N 15 128.872 0.1 . 1 . . . A 67 TYR N . 17963 1 453 . 1 1 68 68 HIS H H 1 7.655 0.01 . 1 . . . A 68 HIS H . 17963 1 454 . 1 1 68 68 HIS HA H 1 4.365 0.01 . 1 . . . A 68 HIS HA . 17963 1 455 . 1 1 68 68 HIS HB2 H 1 3.229 0.01 . 2 . . . A 68 HIS HB2 . 17963 1 456 . 1 1 68 68 HIS HB3 H 1 3.09 0.01 . 2 . . . A 68 HIS HB3 . 17963 1 457 . 1 1 68 68 HIS N N 15 129.258 0.1 . 1 . . . A 68 HIS N . 17963 1 stop_ save_