################################### # 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 19212 _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-1H NOESY' . . . 19212 1 2 '2D 1H-1H TOCSY' . . . 19212 1 5 '3D 1H-15N NOESY' . . . 19212 1 6 '3D 1H-15N TOCSY' . . . 19212 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 9 9 GLY HA2 H 1 4.678 0.01 . 2 . . . A 1 GLY HA2 . 19212 1 2 . 1 1 9 9 GLY HA3 H 1 4.008 0.01 . 2 . . . A 1 GLY HA3 . 19212 1 3 . 1 1 9 9 GLY H H 1 8.479 0.01 . 1 . . . A 1 GLY H1 . 19212 1 4 . 1 1 9 9 GLY N N 15 110.148 0.1 . 1 . . . A 1 GLY N . 19212 1 5 . 1 1 10 10 LYS H H 1 8.253 0.01 . 1 . . . A 2 LYS H . 19212 1 6 . 1 1 10 10 LYS HB2 H 1 1.81 0.01 . 2 . . . A 2 LYS HB2 . 19212 1 7 . 1 1 10 10 LYS HB3 H 1 1.9 0.01 . 2 . . . A 2 LYS HB3 . 19212 1 8 . 1 1 10 10 LYS HG2 H 1 1.484 0.01 . 2 . . . A 2 LYS HG2 . 19212 1 9 . 1 1 10 10 LYS HG3 H 1 1.484 0.01 . 2 . . . A 2 LYS HG3 . 19212 1 10 . 1 1 10 10 LYS N N 15 121.151 0.1 . 1 . . . A 2 LYS N . 19212 1 11 . 1 1 11 11 GLU H H 1 8.581 0.01 . 1 . . . A 3 GLU H . 19212 1 12 . 1 1 11 11 GLU HA H 1 4.322 0.01 . 1 . . . A 3 GLU HA . 19212 1 13 . 1 1 11 11 GLU HB2 H 1 1.97 0.01 . 2 . . . A 3 GLU HB2 . 19212 1 14 . 1 1 11 11 GLU HB3 H 1 2.051 0.01 . 2 . . . A 3 GLU HB3 . 19212 1 15 . 1 1 11 11 GLU HG2 H 1 2.281 0.01 . 1 . . . A 3 GLU HG2 . 19212 1 16 . 1 1 11 11 GLU HG3 H 1 2.281 0.01 . 1 . . . A 3 GLU HG3 . 19212 1 17 . 1 1 11 11 GLU N N 15 121.214 0.1 . 1 . . . A 3 GLU N . 19212 1 18 . 1 1 12 12 CYS H H 1 8.028 0.01 . 1 . . . A 4 CYS H . 19212 1 19 . 1 1 12 12 CYS HA H 1 4.975 0.01 . 1 . . . A 4 CYS HA . 19212 1 20 . 1 1 12 12 CYS HB2 H 1 2.581 0.01 . 2 . . . A 4 CYS HB2 . 19212 1 21 . 1 1 12 12 CYS HB3 H 1 3.456 0.01 . 2 . . . A 4 CYS HB3 . 19212 1 22 . 1 1 12 12 CYS N N 15 119.597 0.1 . 1 . . . A 4 CYS N . 19212 1 23 . 1 1 13 13 ASP H H 1 8.69 0.01 . 1 . . . A 5 ASP H . 19212 1 24 . 1 1 13 13 ASP HA H 1 4.817 0.01 . 1 . . . A 5 ASP HA . 19212 1 25 . 1 1 13 13 ASP HB2 H 1 2.721 0.01 . 1 . . . A 5 ASP HB2 . 19212 1 26 . 1 1 13 13 ASP HB3 H 1 2.721 0.01 . 1 . . . A 5 ASP HB3 . 19212 1 27 . 1 1 13 13 ASP N N 15 119.597 0.1 . 1 . . . A 5 ASP N . 19212 1 28 . 1 1 14 14 CYS H H 1 6.888 0.01 . 1 . . . A 6 CYS H . 19212 1 29 . 1 1 14 14 CYS HA H 1 4.931 0.01 . 1 . . . A 6 CYS HA . 19212 1 30 . 1 1 14 14 CYS HB2 H 1 2.987 0.01 . 2 . . . A 6 CYS HB2 . 19212 1 31 . 1 1 14 14 CYS HB3 H 1 3.218 0.01 . 2 . . . A 6 CYS HB3 . 19212 1 32 . 1 1 14 14 CYS N N 15 112.573 0.1 . 1 . . . A 6 CYS N . 19212 1 33 . 1 1 15 15 SER H H 1 9.584 0.01 . 1 . . . A 7 SER H . 19212 1 34 . 1 1 15 15 SER HA H 1 4.226 0.01 . 1 . . . A 7 SER HA . 19212 1 35 . 1 1 15 15 SER HB2 H 1 3.858 0.01 . 2 . . . A 7 SER HB2 . 19212 1 36 . 1 1 15 15 SER HB3 H 1 3.953 0.01 . 2 . . . A 7 SER HB3 . 19212 1 37 . 1 1 15 15 SER N N 15 119.349 0.1 . 1 . . . A 7 SER N . 19212 1 38 . 1 1 16 16 SER H H 1 7.776 0.01 . 1 . . . A 8 SER H . 19212 1 39 . 1 1 16 16 SER HA H 1 5.137 0.01 . 1 . . . A 8 SER HA . 19212 1 40 . 1 1 16 16 SER HB2 H 1 3.816 0.01 . 2 . . . A 8 SER HB2 . 19212 1 41 . 1 1 16 16 SER HB3 H 1 4.005 0.01 . 2 . . . A 8 SER HB3 . 19212 1 42 . 1 1 16 16 SER N N 15 115.557 0.1 . 1 . . . A 8 SER N . 19212 1 43 . 1 1 17 17 PRO HA H 1 4.559 0.01 . 1 . . . A 9 PRO HA . 19212 1 44 . 1 1 17 17 PRO HB2 H 1 2.392 0.01 . 1 . . . A 9 PRO HB2 . 19212 1 45 . 1 1 17 17 PRO HB3 H 1 2.392 0.01 . 1 . . . A 9 PRO HB3 . 19212 1 46 . 1 1 17 17 PRO HG2 H 1 2.04 0.01 . 1 . . . A 9 PRO HG2 . 19212 1 47 . 1 1 17 17 PRO HG3 H 1 2.04 0.01 . 1 . . . A 9 PRO HG3 . 19212 1 48 . 1 1 17 17 PRO HD2 H 1 3.824 0.01 . 2 . . . A 9 PRO HD2 . 19212 1 49 . 1 1 17 17 PRO HD3 H 1 3.965 0.01 . 2 . . . A 9 PRO HD3 . 19212 1 50 . 1 1 18 18 GLU H H 1 8.165 0.01 . 1 . . . A 10 GLU H . 19212 1 51 . 1 1 18 18 GLU HA H 1 4.294 0.01 . 1 . . . A 10 GLU HA . 19212 1 52 . 1 1 18 18 GLU HB2 H 1 2.031 0.01 . 2 . . . A 10 GLU HB2 . 19212 1 53 . 1 1 18 18 GLU HB3 H 1 2.201 0.01 . 2 . . . A 10 GLU HB3 . 19212 1 54 . 1 1 18 18 GLU HG2 H 1 2.261 0.01 . 1 . . . A 10 GLU HG2 . 19212 1 55 . 1 1 18 18 GLU HG3 H 1 2.261 0.01 . 1 . . . A 10 GLU HG3 . 19212 1 56 . 1 1 18 18 GLU N N 15 116.738 0.1 . 1 . . . A 10 GLU N . 19212 1 57 . 1 1 19 19 ASN H H 1 7.175 0.01 . 1 . . . A 11 ASN H . 19212 1 58 . 1 1 19 19 ASN HA H 1 4.794 0.01 . 1 . . . A 11 ASN HA . 19212 1 59 . 1 1 19 19 ASN HB2 H 1 2.872 0.01 . 2 . . . A 11 ASN HB2 . 19212 1 60 . 1 1 19 19 ASN HB3 H 1 3.146 0.01 . 2 . . . A 11 ASN HB3 . 19212 1 61 . 1 1 19 19 ASN HD21 H 1 7.438 0.01 . 2 . . . A 11 ASN HD21 . 19212 1 62 . 1 1 19 19 ASN HD22 H 1 8.296 0.01 . 2 . . . A 11 ASN HD22 . 19212 1 63 . 1 1 19 19 ASN N N 15 120.592 0.1 . 1 . . . A 11 ASN N . 19212 1 64 . 1 1 19 19 ASN ND2 N 15 118.519 0.1 . 1 . . . A 11 ASN ND2 . 19212 1 65 . 1 1 20 20 PRO HA H 1 4.704 0.01 . 1 . . . A 12 PRO HA . 19212 1 66 . 1 1 20 20 PRO HB2 H 1 2.393 0.01 . 2 . . . A 12 PRO HB2 . 19212 1 67 . 1 1 20 20 PRO HB3 H 1 1.979 0.01 . 2 . . . A 12 PRO HB3 . 19212 1 68 . 1 1 20 20 PRO HG2 H 1 2.151 0.01 . 1 . . . A 12 PRO HG2 . 19212 1 69 . 1 1 20 20 PRO HG3 H 1 2.151 0.01 . 1 . . . A 12 PRO HG3 . 19212 1 70 . 1 1 20 20 PRO HD2 H 1 3.969 0.01 . 2 . . . A 12 PRO HD2 . 19212 1 71 . 1 1 20 20 PRO HD3 H 1 4.165 0.01 . 2 . . . A 12 PRO HD3 . 19212 1 72 . 1 1 21 21 CYS H H 1 8.847 0.01 . 1 . . . A 13 CYS H . 19212 1 73 . 1 1 21 21 CYS HA H 1 4.648 0.01 . 1 . . . A 13 CYS HA . 19212 1 74 . 1 1 21 21 CYS HB2 H 1 2.578 0.01 . 2 . . . A 13 CYS HB2 . 19212 1 75 . 1 1 21 21 CYS HB3 H 1 3.222 0.01 . 2 . . . A 13 CYS HB3 . 19212 1 76 . 1 1 21 21 CYS N N 15 117.795 0.1 . 1 . . . A 13 CYS N . 19212 1 77 . 1 1 22 22 CYS H H 1 7.448 0.01 . 1 . . . A 14 CYS H . 19212 1 78 . 1 1 22 22 CYS HA H 1 5.056 0.01 . 1 . . . A 14 CYS HA . 19212 1 79 . 1 1 22 22 CYS HB2 H 1 2.89 0.01 . 2 . . . A 14 CYS HB2 . 19212 1 80 . 1 1 22 22 CYS HB3 H 1 2.95 0.01 . 2 . . . A 14 CYS HB3 . 19212 1 81 . 1 1 22 22 CYS N N 15 112.262 0.1 . 1 . . . A 14 CYS N . 19212 1 82 . 1 1 23 23 ASP H H 1 8.13 0.01 . 1 . . . A 15 ASP H . 19212 1 83 . 1 1 23 23 ASP HA H 1 4.57 0.01 . 1 . . . A 15 ASP HA . 19212 1 84 . 1 1 23 23 ASP HB2 H 1 2.481 0.01 . 2 . . . A 15 ASP HB2 . 19212 1 85 . 1 1 23 23 ASP HB3 H 1 3.144 0.01 . 2 . . . A 15 ASP HB3 . 19212 1 86 . 1 1 23 23 ASP N N 15 121.027 0.1 . 1 . . . A 15 ASP N . 19212 1 87 . 1 1 24 24 ALA H H 1 8.915 0.01 . 1 . . . A 16 ALA H . 19212 1 88 . 1 1 24 24 ALA HA H 1 4.148 0.01 . 1 . . . A 16 ALA HA . 19212 1 89 . 1 1 24 24 ALA HB1 H 1 1.546 0.01 . 1 . . . A 16 ALA HB1 . 19212 1 90 . 1 1 24 24 ALA HB2 H 1 1.546 0.01 . 1 . . . A 16 ALA HB2 . 19212 1 91 . 1 1 24 24 ALA HB3 H 1 1.546 0.01 . 1 . . . A 16 ALA HB3 . 19212 1 92 . 1 1 24 24 ALA N N 15 130.92 0.1 . 1 . . . A 16 ALA N . 19212 1 93 . 1 1 25 25 ALA H H 1 8.588 0.01 . 1 . . . A 17 ALA H . 19212 1 94 . 1 1 25 25 ALA HA H 1 4.361 0.01 . 1 . . . A 17 ALA HA . 19212 1 95 . 1 1 25 25 ALA HB1 H 1 1.544 0.01 . 1 . . . A 17 ALA HB1 . 19212 1 96 . 1 1 25 25 ALA HB2 H 1 1.544 0.01 . 1 . . . A 17 ALA HB2 . 19212 1 97 . 1 1 25 25 ALA HB3 H 1 1.544 0.01 . 1 . . . A 17 ALA HB3 . 19212 1 98 . 1 1 25 25 ALA N N 15 117.732 0.1 . 1 . . . A 17 ALA N . 19212 1 99 . 1 1 26 26 THR H H 1 7.66 0.01 . 1 . . . A 18 THR H . 19212 1 100 . 1 1 26 26 THR HA H 1 4.445 0.01 . 1 . . . A 18 THR HA . 19212 1 101 . 1 1 26 26 THR HB H 1 4.34 0.01 . 1 . . . A 18 THR HB . 19212 1 102 . 1 1 26 26 THR HG21 H 1 1.198 0.01 . 1 . . . A 18 THR HG21 . 19212 1 103 . 1 1 26 26 THR HG22 H 1 1.198 0.01 . 1 . . . A 18 THR HG22 . 19212 1 104 . 1 1 26 26 THR HG23 H 1 1.198 0.01 . 1 . . . A 18 THR HG23 . 19212 1 105 . 1 1 26 26 THR N N 15 105.299 0.1 . 1 . . . A 18 THR N . 19212 1 106 . 1 1 27 27 CYS H H 1 8.52 0.01 . 1 . . . A 19 CYS H . 19212 1 107 . 1 1 27 27 CYS HA H 1 4.642 0.01 . 1 . . . A 19 CYS HA . 19212 1 108 . 1 1 27 27 CYS HB2 H 1 3.323 0.01 . 2 . . . A 19 CYS HB2 . 19212 1 109 . 1 1 27 27 CYS HB3 H 1 3.543 0.01 . 2 . . . A 19 CYS HB3 . 19212 1 110 . 1 1 27 27 CYS N N 15 119.038 0.1 . 1 . . . A 19 CYS N . 19212 1 111 . 1 1 28 28 LYS H H 1 7.878 0.01 . 1 . . . A 20 LYS H . 19212 1 112 . 1 1 28 28 LYS HA H 1 4.945 0.01 . 1 . . . A 20 LYS HA . 19212 1 113 . 1 1 28 28 LYS HB2 H 1 1.536 0.01 . 2 . . . A 20 LYS HB2 . 19212 1 114 . 1 1 28 28 LYS HB3 H 1 1.984 0.01 . 2 . . . A 20 LYS HB3 . 19212 1 115 . 1 1 28 28 LYS HD2 H 1 1.675 0.01 . 1 . . . A 20 LYS HD2 . 19212 1 116 . 1 1 28 28 LYS HD3 H 1 1.675 0.01 . 1 . . . A 20 LYS HD3 . 19212 1 117 . 1 1 28 28 LYS N N 15 118.354 0.1 . 1 . . . A 20 LYS N . 19212 1 118 . 1 1 29 29 LEU H H 1 9.127 0.01 . 1 . . . A 21 LEU H . 19212 1 119 . 1 1 29 29 LEU HA H 1 4.285 0.01 . 1 . . . A 21 LEU HA . 19212 1 120 . 1 1 29 29 LEU HB2 H 1 1.424 0.01 . 1 . . . A 21 LEU HB2 . 19212 1 121 . 1 1 29 29 LEU HB3 H 1 1.424 0.01 . 1 . . . A 21 LEU HB3 . 19212 1 122 . 1 1 29 29 LEU HG H 1 1.681 0.01 . 1 . . . A 21 LEU HG . 19212 1 123 . 1 1 29 29 LEU HD11 H 1 0.632 0.01 . 2 . . . A 21 LEU HD11 . 19212 1 124 . 1 1 29 29 LEU HD12 H 1 0.632 0.01 . 2 . . . A 21 LEU HD12 . 19212 1 125 . 1 1 29 29 LEU HD13 H 1 0.632 0.01 . 2 . . . A 21 LEU HD13 . 19212 1 126 . 1 1 29 29 LEU HD21 H 1 0.519 0.01 . 2 . . . A 21 LEU HD21 . 19212 1 127 . 1 1 29 29 LEU HD22 H 1 0.519 0.01 . 2 . . . A 21 LEU HD22 . 19212 1 128 . 1 1 29 29 LEU HD23 H 1 0.519 0.01 . 2 . . . A 21 LEU HD23 . 19212 1 129 . 1 1 29 29 LEU N N 15 120.405 0.1 . 1 . . . A 21 LEU N . 19212 1 130 . 1 1 30 30 ARG H H 1 8.403 0.01 . 1 . . . A 22 ARG H . 19212 1 131 . 1 1 30 30 ARG HA H 1 4.448 0.01 . 1 . . . A 22 ARG HA . 19212 1 132 . 1 1 30 30 ARG HB2 H 1 1.627 0.01 . 2 . . . A 22 ARG HB2 . 19212 1 133 . 1 1 30 30 ARG HB3 H 1 1.719 0.01 . 2 . . . A 22 ARG HB3 . 19212 1 134 . 1 1 30 30 ARG HD2 H 1 3.172 0.01 . 2 . . . A 22 ARG HD2 . 19212 1 135 . 1 1 30 30 ARG HD3 H 1 3.249 0.01 . 2 . . . A 22 ARG HD3 . 19212 1 136 . 1 1 30 30 ARG HE H 1 6.925 0.01 . 1 . . . A 22 ARG HE . 19212 1 137 . 1 1 30 30 ARG N N 15 122.457 0.1 . 1 . . . A 22 ARG N . 19212 1 138 . 1 1 31 31 PRO HA H 1 4.389 0.01 . 1 . . . A 23 PRO HA . 19212 1 139 . 1 1 31 31 PRO HB2 H 1 2.378 0.01 . 2 . . . A 23 PRO HB2 . 19212 1 140 . 1 1 31 31 PRO HB3 H 1 1.921 0.01 . 2 . . . A 23 PRO HB3 . 19212 1 141 . 1 1 31 31 PRO HG2 H 1 2.091 0.01 . 1 . . . A 23 PRO HG2 . 19212 1 142 . 1 1 31 31 PRO HG3 H 1 2.091 0.01 . 1 . . . A 23 PRO HG3 . 19212 1 143 . 1 1 32 32 GLY H H 1 8.752 0.01 . 1 . . . A 24 GLY H . 19212 1 144 . 1 1 32 32 GLY HA2 H 1 3.664 0.01 . 2 . . . A 24 GLY HA2 . 19212 1 145 . 1 1 32 32 GLY HA3 H 1 4.295 0.01 . 2 . . . A 24 GLY HA3 . 19212 1 146 . 1 1 32 32 GLY N N 15 113.629 0.1 . 1 . . . A 24 GLY N . 19212 1 147 . 1 1 33 33 ALA H H 1 7.857 0.01 . 1 . . . A 25 ALA H . 19212 1 148 . 1 1 33 33 ALA HA H 1 4.54 0.01 . 1 . . . A 25 ALA HA . 19212 1 149 . 1 1 33 33 ALA HB1 H 1 1.621 0.01 . 1 . . . A 25 ALA HB1 . 19212 1 150 . 1 1 33 33 ALA HB2 H 1 1.621 0.01 . 1 . . . A 25 ALA HB2 . 19212 1 151 . 1 1 33 33 ALA HB3 H 1 1.621 0.01 . 1 . . . A 25 ALA HB3 . 19212 1 152 . 1 1 33 33 ALA N N 15 123.389 0.1 . 1 . . . A 25 ALA N . 19212 1 153 . 1 1 34 34 GLN H H 1 8.745 0.01 . 1 . . . A 26 GLN H . 19212 1 154 . 1 1 34 34 GLN HA H 1 4.113 0.01 . 1 . . . A 26 GLN HA . 19212 1 155 . 1 1 34 34 GLN HB2 H 1 2.374 0.01 . 2 . . . A 26 GLN HB2 . 19212 1 156 . 1 1 34 34 GLN HB3 H 1 1.236 0.01 . 2 . . . A 26 GLN HB3 . 19212 1 157 . 1 1 34 34 GLN HG2 H 1 2.056 0.01 . 2 . . . A 26 GLN HG2 . 19212 1 158 . 1 1 34 34 GLN HG3 H 1 2.168 0.01 . 2 . . . A 26 GLN HG3 . 19212 1 159 . 1 1 34 34 GLN HE21 H 1 7.717 0.01 . 2 . . . A 26 GLN HE21 . 19212 1 160 . 1 1 34 34 GLN HE22 H 1 6.988 0.01 . 2 . . . A 26 GLN HE22 . 19212 1 161 . 1 1 34 34 GLN N N 15 117.396 0.1 . 1 . . . A 26 GLN N . 19212 1 162 . 1 1 34 34 GLN NE2 N 15 113.26 0.1 . 1 . . . A 26 GLN NE2 . 19212 1 163 . 1 1 35 35 CYS H H 1 7.721 0.01 . 1 . . . A 27 CYS H . 19212 1 164 . 1 1 35 35 CYS HA H 1 4.555 0.01 . 1 . . . A 27 CYS HA . 19212 1 165 . 1 1 35 35 CYS HB2 H 1 3.153 0.01 . 2 . . . A 27 CYS HB2 . 19212 1 166 . 1 1 35 35 CYS HB3 H 1 3.287 0.01 . 2 . . . A 27 CYS HB3 . 19212 1 167 . 1 1 35 35 CYS N N 15 113.256 0.1 . 1 . . . A 27 CYS N . 19212 1 168 . 1 1 36 36 GLY H H 1 9.086 0.01 . 1 . . . A 28 GLY H . 19212 1 169 . 1 1 36 36 GLY HA2 H 1 3.574 0.01 . 1 . . . A 28 GLY HA2 . 19212 1 170 . 1 1 36 36 GLY HA3 H 1 4.446 0.01 . 1 . . . A 28 GLY HA3 . 19212 1 171 . 1 1 36 36 GLY N N 15 104.864 0.1 . 1 . . . A 28 GLY N . 19212 1 172 . 1 1 37 37 GLU H H 1 7.762 0.01 . 1 . . . A 29 GLU H . 19212 1 173 . 1 1 37 37 GLU HA H 1 4.782 0.01 . 1 . . . A 29 GLU HA . 19212 1 174 . 1 1 37 37 GLU HB2 H 1 1.981 0.01 . 2 . . . A 29 GLU HB2 . 19212 1 175 . 1 1 37 37 GLU HB3 H 1 2.311 0.01 . 2 . . . A 29 GLU HB3 . 19212 1 176 . 1 1 37 37 GLU HG2 H 1 2.171 0.01 . 2 . . . A 29 GLU HG2 . 19212 1 177 . 1 1 37 37 GLU HG3 H 1 2.26 0.01 . 2 . . . A 29 GLU HG3 . 19212 1 178 . 1 1 37 37 GLU N N 15 118.034 0.1 . 1 . . . A 29 GLU N . 19212 1 179 . 1 1 38 38 GLY H H 1 8.315 0.01 . 1 . . . A 30 GLY H . 19212 1 180 . 1 1 38 38 GLY HA2 H 1 3.925 0.01 . 2 . . . A 30 GLY HA2 . 19212 1 181 . 1 1 38 38 GLY HA3 H 1 4.915 0.01 . 2 . . . A 30 GLY HA3 . 19212 1 182 . 1 1 38 38 GLY N N 15 108.47 0.1 . 1 . . . A 30 GLY N . 19212 1 183 . 1 1 39 39 LEU H H 1 8.895 0.01 . 1 . . . A 31 LEU H . 19212 1 184 . 1 1 39 39 LEU HA H 1 4.354 0.01 . 1 . . . A 31 LEU HA . 19212 1 185 . 1 1 39 39 LEU HB2 H 1 1.741 0.01 . 2 . . . A 31 LEU HB2 . 19212 1 186 . 1 1 39 39 LEU HB3 H 1 1.829 0.01 . 2 . . . A 31 LEU HB3 . 19212 1 187 . 1 1 39 39 LEU HG H 1 1.987 0.01 . 1 . . . A 31 LEU HG . 19212 1 188 . 1 1 39 39 LEU HD11 H 1 1.142 0.01 . 1 . . . A 31 LEU HD11 . 19212 1 189 . 1 1 39 39 LEU HD12 H 1 1.142 0.01 . 1 . . . A 31 LEU HD12 . 19212 1 190 . 1 1 39 39 LEU HD13 H 1 1.142 0.01 . 1 . . . A 31 LEU HD13 . 19212 1 191 . 1 1 39 39 LEU HD21 H 1 1.142 0.01 . 1 . . . A 31 LEU HD21 . 19212 1 192 . 1 1 39 39 LEU HD22 H 1 1.142 0.01 . 1 . . . A 31 LEU HD22 . 19212 1 193 . 1 1 39 39 LEU HD23 H 1 1.142 0.01 . 1 . . . A 31 LEU HD23 . 19212 1 194 . 1 1 39 39 LEU N N 15 120.903 0.1 . 1 . . . A 31 LEU N . 19212 1 195 . 1 1 40 40 CYS H H 1 8.376 0.01 . 1 . . . A 32 CYS H . 19212 1 196 . 1 1 40 40 CYS HA H 1 5.108 0.01 . 1 . . . A 32 CYS HA . 19212 1 197 . 1 1 40 40 CYS HB2 H 1 2.509 0.01 . 2 . . . A 32 CYS HB2 . 19212 1 198 . 1 1 40 40 CYS HB3 H 1 3.894 0.01 . 2 . . . A 32 CYS HB3 . 19212 1 199 . 1 1 40 40 CYS N N 15 114.873 0.1 . 1 . . . A 32 CYS N . 19212 1 200 . 1 1 41 41 CYS H H 1 7.291 0.01 . 1 . . . A 33 CYS H . 19212 1 201 . 1 1 41 41 CYS HA H 1 5.291 0.01 . 1 . . . A 33 CYS HA . 19212 1 202 . 1 1 41 41 CYS HB2 H 1 2.56 0.01 . 2 . . . A 33 CYS HB2 . 19212 1 203 . 1 1 41 41 CYS HB3 H 1 2.994 0.01 . 2 . . . A 33 CYS HB3 . 19212 1 204 . 1 1 41 41 CYS N N 15 121.151 0.1 . 1 . . . A 33 CYS N . 19212 1 205 . 1 1 42 42 GLU H H 1 9.652 0.01 . 1 . . . A 34 GLU H . 19212 1 206 . 1 1 42 42 GLU HA H 1 4.682 0.01 . 1 . . . A 34 GLU HA . 19212 1 207 . 1 1 42 42 GLU HB2 H 1 1.911 0.01 . 2 . . . A 34 GLU HB2 . 19212 1 208 . 1 1 42 42 GLU HB3 H 1 2.055 0.01 . 2 . . . A 34 GLU HB3 . 19212 1 209 . 1 1 42 42 GLU HG2 H 1 2.228 0.01 . 1 . . . A 34 GLU HG2 . 19212 1 210 . 1 1 42 42 GLU HG3 H 1 2.228 0.01 . 1 . . . A 34 GLU HG3 . 19212 1 211 . 1 1 42 42 GLU N N 15 128.487 0.1 . 1 . . . A 34 GLU N . 19212 1 212 . 1 1 43 43 GLN H H 1 9.373 0.01 . 1 . . . A 35 GLN H . 19212 1 213 . 1 1 43 43 GLN HA H 1 3.999 0.01 . 1 . . . A 35 GLN HA . 19212 1 214 . 1 1 43 43 GLN HB2 H 1 2.128 0.01 . 2 . . . A 35 GLN HB2 . 19212 1 215 . 1 1 43 43 GLN HB3 H 1 2.399 0.01 . 2 . . . A 35 GLN HB3 . 19212 1 216 . 1 1 43 43 GLN HG2 H 1 2.241 0.01 . 1 . . . A 35 GLN HG2 . 19212 1 217 . 1 1 43 43 GLN HG3 H 1 2.241 0.01 . 1 . . . A 35 GLN HG3 . 19212 1 218 . 1 1 43 43 GLN N N 15 125.441 0.1 . 1 . . . A 35 GLN N . 19212 1 219 . 1 1 43 43 GLN NE2 N 15 116.264 0.1 . 1 . . . A 35 GLN NE2 . 19212 1 220 . 1 1 44 44 CYS H H 1 8.41 0.01 . 1 . . . A 36 CYS H . 19212 1 221 . 1 1 44 44 CYS HA H 1 4.801 0.01 . 1 . . . A 36 CYS HA . 19212 1 222 . 1 1 44 44 CYS HB2 H 1 3.372 0.01 . 2 . . . A 36 CYS HB2 . 19212 1 223 . 1 1 44 44 CYS HB3 H 1 3.763 0.01 . 2 . . . A 36 CYS HB3 . 19212 1 224 . 1 1 44 44 CYS N N 15 105.424 0.1 . 1 . . . A 36 CYS N . 19212 1 225 . 1 1 45 45 LYS H H 1 7.939 0.01 . 1 . . . A 37 LYS H . 19212 1 226 . 1 1 45 45 LYS HA H 1 4.703 0.01 . 1 . . . A 37 LYS HA . 19212 1 227 . 1 1 45 45 LYS HB2 H 1 1.79 0.01 . 2 . . . A 37 LYS HB2 . 19212 1 228 . 1 1 45 45 LYS HB3 H 1 1.88 0.01 . 2 . . . A 37 LYS HB3 . 19212 1 229 . 1 1 45 45 LYS HG2 H 1 1.54 0.01 . 2 . . . A 37 LYS HG2 . 19212 1 230 . 1 1 45 45 LYS HG3 H 1 1.46 0.01 . 2 . . . A 37 LYS HG3 . 19212 1 231 . 1 1 45 45 LYS HD2 H 1 1.64 0.01 . 1 . . . A 37 LYS HD2 . 19212 1 232 . 1 1 45 45 LYS HD3 H 1 1.64 0.01 . 1 . . . A 37 LYS HD3 . 19212 1 233 . 1 1 45 45 LYS HE2 H 1 3.039 0.01 . 1 . . . A 37 LYS HE2 . 19212 1 234 . 1 1 45 45 LYS HE3 H 1 3.039 0.01 . 1 . . . A 37 LYS HE3 . 19212 1 235 . 1 1 45 45 LYS N N 15 120.965 0.1 . 1 . . . A 37 LYS N . 19212 1 236 . 1 1 46 46 PHE H H 1 8.192 0.01 . 1 . . . A 38 PHE H . 19212 1 237 . 1 1 46 46 PHE HA H 1 5.141 0.01 . 1 . . . A 38 PHE HA . 19212 1 238 . 1 1 46 46 PHE HB2 H 1 2.724 0.01 . 2 . . . A 38 PHE HB2 . 19212 1 239 . 1 1 46 46 PHE HB3 H 1 3.05 0.01 . 2 . . . A 38 PHE HB3 . 19212 1 240 . 1 1 46 46 PHE HD1 H 1 7.029 0.01 . 1 . . . A 38 PHE HD1 . 19212 1 241 . 1 1 46 46 PHE HD2 H 1 7.029 0.01 . 1 . . . A 38 PHE HD2 . 19212 1 242 . 1 1 46 46 PHE HE1 H 1 7.261 0.01 . 1 . . . A 38 PHE HE1 . 19212 1 243 . 1 1 46 46 PHE HE2 H 1 7.261 0.01 . 1 . . . A 38 PHE HE2 . 19212 1 244 . 1 1 46 46 PHE N N 15 119.722 0.1 . 1 . . . A 38 PHE N . 19212 1 245 . 1 1 47 47 SER H H 1 8.963 0.01 . 1 . . . A 39 SER H . 19212 1 246 . 1 1 47 47 SER HA H 1 4.274 0.01 . 1 . . . A 39 SER HA . 19212 1 247 . 1 1 47 47 SER HB2 H 1 3.765 0.01 . 2 . . . A 39 SER HB2 . 19212 1 248 . 1 1 47 47 SER HB3 H 1 3.932 0.01 . 2 . . . A 39 SER HB3 . 19212 1 249 . 1 1 47 47 SER N N 15 121.524 0.1 . 1 . . . A 39 SER N . 19212 1 250 . 1 1 48 48 ARG H H 1 8.485 0.01 . 1 . . . A 40 ARG H . 19212 1 251 . 1 1 48 48 ARG HA H 1 4.101 0.01 . 1 . . . A 40 ARG HA . 19212 1 252 . 1 1 48 48 ARG HB2 H 1 1.82 0.01 . 1 . . . A 40 ARG HB2 . 19212 1 253 . 1 1 48 48 ARG HB3 H 1 1.82 0.01 . 1 . . . A 40 ARG HB3 . 19212 1 254 . 1 1 48 48 ARG HG2 H 1 1.688 0.01 . 1 . . . A 40 ARG HG2 . 19212 1 255 . 1 1 48 48 ARG HG3 H 1 1.688 0.01 . 1 . . . A 40 ARG HG3 . 19212 1 256 . 1 1 48 48 ARG HD2 H 1 3.269 0.01 . 1 . . . A 40 ARG HD2 . 19212 1 257 . 1 1 48 48 ARG HD3 H 1 3.269 0.01 . 1 . . . A 40 ARG HD3 . 19212 1 258 . 1 1 48 48 ARG N N 15 121.711 0.1 . 1 . . . A 40 ARG N . 19212 1 259 . 1 1 49 49 ALA H H 1 8.417 0.01 . 1 . . . A 41 ALA H . 19212 1 260 . 1 1 49 49 ALA HA H 1 3.724 0.01 . 1 . . . A 41 ALA HA . 19212 1 261 . 1 1 49 49 ALA HB1 H 1 1.298 0.01 . 1 . . . A 41 ALA HB1 . 19212 1 262 . 1 1 49 49 ALA HB2 H 1 1.298 0.01 . 1 . . . A 41 ALA HB2 . 19212 1 263 . 1 1 49 49 ALA HB3 H 1 1.298 0.01 . 1 . . . A 41 ALA HB3 . 19212 1 264 . 1 1 49 49 ALA N N 15 123.576 0.1 . 1 . . . A 41 ALA N . 19212 1 265 . 1 1 50 50 GLY H H 1 8.52 0.01 . 1 . . . A 42 GLY H . 19212 1 266 . 1 1 50 50 GLY HA2 H 1 3.587 0.01 . 2 . . . A 42 GLY HA2 . 19212 1 267 . 1 1 50 50 GLY HA3 H 1 4.486 0.01 . 2 . . . A 42 GLY HA3 . 19212 1 268 . 1 1 50 50 GLY N N 15 110.397 0.1 . 1 . . . A 42 GLY N . 19212 1 269 . 1 1 51 51 LYS H H 1 7.441 0.01 . 1 . . . A 43 LYS H . 19212 1 270 . 1 1 51 51 LYS HA H 1 4.149 0.01 . 1 . . . A 43 LYS HA . 19212 1 271 . 1 1 51 51 LYS HB2 H 1 1.87 0.01 . 1 . . . A 43 LYS HB2 . 19212 1 272 . 1 1 51 51 LYS HB3 H 1 1.87 0.01 . 1 . . . A 43 LYS HB3 . 19212 1 273 . 1 1 51 51 LYS HG2 H 1 1.415 0.01 . 2 . . . A 43 LYS HG2 . 19212 1 274 . 1 1 51 51 LYS HG3 H 1 1.529 0.01 . 2 . . . A 43 LYS HG3 . 19212 1 275 . 1 1 51 51 LYS HD2 H 1 1.697 0.01 . 1 . . . A 43 LYS HD2 . 19212 1 276 . 1 1 51 51 LYS HD3 H 1 1.697 0.01 . 1 . . . A 43 LYS HD3 . 19212 1 277 . 1 1 51 51 LYS HE2 H 1 3.117 0.01 . 1 . . . A 43 LYS HE2 . 19212 1 278 . 1 1 51 51 LYS HE3 H 1 3.117 0.01 . 1 . . . A 43 LYS HE3 . 19212 1 279 . 1 1 51 51 LYS N N 15 122.643 0.1 . 1 . . . A 43 LYS N . 19212 1 280 . 1 1 52 52 ILE H H 1 8.793 0.01 . 1 . . . A 44 ILE H . 19212 1 281 . 1 1 52 52 ILE HA H 1 4.122 0.01 . 1 . . . A 44 ILE HA . 19212 1 282 . 1 1 52 52 ILE HB H 1 1.82 0.01 . 1 . . . A 44 ILE HB . 19212 1 283 . 1 1 52 52 ILE HG21 H 1 1.022 0.01 . 1 . . . A 44 ILE HG21 . 19212 1 284 . 1 1 52 52 ILE HG22 H 1 1.022 0.01 . 1 . . . A 44 ILE HG22 . 19212 1 285 . 1 1 52 52 ILE HG23 H 1 1.022 0.01 . 1 . . . A 44 ILE HG23 . 19212 1 286 . 1 1 52 52 ILE HD11 H 1 0.951 0.01 . 1 . . . A 44 ILE HD11 . 19212 1 287 . 1 1 52 52 ILE HD12 H 1 0.951 0.01 . 1 . . . A 44 ILE HD12 . 19212 1 288 . 1 1 52 52 ILE HD13 H 1 0.951 0.01 . 1 . . . A 44 ILE HD13 . 19212 1 289 . 1 1 52 52 ILE N N 15 128.798 0.1 . 1 . . . A 44 ILE N . 19212 1 290 . 1 1 53 53 CYS H H 1 9.325 0.01 . 1 . . . A 45 CYS H . 19212 1 291 . 1 1 53 53 CYS HA H 1 5.172 0.01 . 1 . . . A 45 CYS HA . 19212 1 292 . 1 1 53 53 CYS HB2 H 1 3.012 0.01 . 1 . . . A 45 CYS HB2 . 19212 1 293 . 1 1 53 53 CYS HB3 H 1 3.157 0.01 . 1 . . . A 45 CYS HB3 . 19212 1 294 . 1 1 53 53 CYS N N 15 123.7 0.1 . 1 . . . A 45 CYS N . 19212 1 295 . 1 1 54 54 ARG H H 1 7.475 0.01 . 1 . . . A 46 ARG H . 19212 1 296 . 1 1 54 54 ARG HA H 1 4.442 0.01 . 1 . . . A 46 ARG HA . 19212 1 297 . 1 1 54 54 ARG HB2 H 1 2.051 0.01 . 2 . . . A 46 ARG HB2 . 19212 1 298 . 1 1 54 54 ARG HB3 H 1 2.051 0.01 . 2 . . . A 46 ARG HB3 . 19212 1 299 . 1 1 54 54 ARG HG2 H 1 1.539 0.01 . 1 . . . A 46 ARG HG2 . 19212 1 300 . 1 1 54 54 ARG HG3 H 1 1.755 0.01 . 1 . . . A 46 ARG HG3 . 19212 1 301 . 1 1 54 54 ARG HD2 H 1 3.378 0.01 . 2 . . . A 46 ARG HD2 . 19212 1 302 . 1 1 54 54 ARG HD3 H 1 3.378 0.01 . 2 . . . A 46 ARG HD3 . 19212 1 303 . 1 1 54 54 ARG N N 15 123.265 0.1 . 1 . . . A 46 ARG N . 19212 1 304 . 1 1 55 55 ILE H H 1 8.417 0.01 . 1 . . . A 47 ILE H . 19212 1 305 . 1 1 55 55 ILE HA H 1 4.254 0.01 . 1 . . . A 47 ILE HA . 19212 1 306 . 1 1 55 55 ILE HB H 1 1.78 0.01 . 1 . . . A 47 ILE HB . 19212 1 307 . 1 1 55 55 ILE HG12 H 1 1.2 0.01 . 1 . . . A 47 ILE HG12 . 19212 1 308 . 1 1 55 55 ILE HG13 H 1 1.523 0.01 . 1 . . . A 47 ILE HG13 . 19212 1 309 . 1 1 55 55 ILE HG21 H 1 0.981 0.01 . 1 . . . A 47 ILE HG21 . 19212 1 310 . 1 1 55 55 ILE HG22 H 1 0.981 0.01 . 1 . . . A 47 ILE HG22 . 19212 1 311 . 1 1 55 55 ILE HG23 H 1 0.981 0.01 . 1 . . . A 47 ILE HG23 . 19212 1 312 . 1 1 55 55 ILE HD11 H 1 0.887 0.01 . 1 . . . A 47 ILE HD11 . 19212 1 313 . 1 1 55 55 ILE HD12 H 1 0.887 0.01 . 1 . . . A 47 ILE HD12 . 19212 1 314 . 1 1 55 55 ILE HD13 H 1 0.887 0.01 . 1 . . . A 47 ILE HD13 . 19212 1 315 . 1 1 55 55 ILE N N 15 127.244 0.1 . 1 . . . A 47 ILE N . 19212 1 316 . 1 1 56 56 ALA H H 1 9.322 0.01 . 1 . . . A 48 ALA H . 19212 1 317 . 1 1 56 56 ALA HA H 1 4.245 0.01 . 1 . . . A 48 ALA HA . 19212 1 318 . 1 1 56 56 ALA HB1 H 1 1.197 0.01 . 1 . . . A 48 ALA HB1 . 19212 1 319 . 1 1 56 56 ALA HB2 H 1 1.197 0.01 . 1 . . . A 48 ALA HB2 . 19212 1 320 . 1 1 56 56 ALA HB3 H 1 1.197 0.01 . 1 . . . A 48 ALA HB3 . 19212 1 321 . 1 1 56 56 ALA N N 15 130.66 0.1 . 1 . . . A 48 ALA N . 19212 1 322 . 1 1 57 57 ARG H H 1 8.15 0.01 . 1 . . . A 49 ARG H . 19212 1 323 . 1 1 57 57 ARG HA H 1 4.407 0.01 . 1 . . . A 49 ARG HA . 19212 1 324 . 1 1 57 57 ARG HB2 H 1 1.813 0.01 . 2 . . . A 49 ARG HB2 . 19212 1 325 . 1 1 57 57 ARG HB3 H 1 1.988 0.01 . 2 . . . A 49 ARG HB3 . 19212 1 326 . 1 1 57 57 ARG HG2 H 1 1.713 0.01 . 1 . . . A 49 ARG HG2 . 19212 1 327 . 1 1 57 57 ARG HG3 H 1 1.713 0.01 . 1 . . . A 49 ARG HG3 . 19212 1 328 . 1 1 57 57 ARG HD2 H 1 3.237 0.01 . 2 . . . A 49 ARG HD2 . 19212 1 329 . 1 1 57 57 ARG HD3 H 1 3.237 0.01 . 2 . . . A 49 ARG HD3 . 19212 1 330 . 1 1 57 57 ARG N N 15 120.352 0.1 . 1 . . . A 49 ARG N . 19212 1 331 . 1 1 58 58 GLY H H 1 7.329 0.01 . 1 . . . A 50 GLY H . 19212 1 332 . 1 1 58 58 GLY HA2 H 1 3.733 0.01 . 2 . . . A 50 GLY HA2 . 19212 1 333 . 1 1 58 58 GLY HA3 H 1 4.383 0.01 . 2 . . . A 50 GLY HA3 . 19212 1 334 . 1 1 58 58 GLY N N 15 108.819 0.1 . 1 . . . A 50 GLY N . 19212 1 335 . 1 1 59 59 ASP H H 1 8.09 0.01 . 1 . . . A 51 ASP H . 19212 1 336 . 1 1 59 59 ASP HA H 1 4.561 0.01 . 1 . . . A 51 ASP HA . 19212 1 337 . 1 1 59 59 ASP HB2 H 1 2.456 0.01 . 2 . . . A 51 ASP HB2 . 19212 1 338 . 1 1 59 59 ASP HB3 H 1 2.639 0.01 . 2 . . . A 51 ASP HB3 . 19212 1 339 . 1 1 59 59 ASP N N 15 121.337 0.1 . 1 . . . A 51 ASP N . 19212 1 340 . 1 1 60 60 TRP H H 1 7.812 0.01 . 1 . . . A 52 TRP H . 19212 1 341 . 1 1 60 60 TRP HA H 1 4.64 0.01 . 1 . . . A 52 TRP HA . 19212 1 342 . 1 1 60 60 TRP HB2 H 1 3.256 0.01 . 2 . . . A 52 TRP HB2 . 19212 1 343 . 1 1 60 60 TRP HB3 H 1 3.405 0.01 . 2 . . . A 52 TRP HB3 . 19212 1 344 . 1 1 60 60 TRP HD1 H 1 7.389 0.01 . 1 . . . A 52 TRP HD1 . 19212 1 345 . 1 1 60 60 TRP HE1 H 1 10.186 0.01 . 1 . . . A 52 TRP HE1 . 19212 1 346 . 1 1 60 60 TRP HE3 H 1 7.548 0.01 . 1 . . . A 52 TRP HE3 . 19212 1 347 . 1 1 60 60 TRP HZ2 H 1 7.449 0.01 . 1 . . . A 52 TRP HZ2 . 19212 1 348 . 1 1 60 60 TRP HZ3 H 1 7.17 0.01 . 1 . . . A 52 TRP HZ3 . 19212 1 349 . 1 1 60 60 TRP HH2 H 1 7.179 0.01 . 1 . . . A 52 TRP HH2 . 19212 1 350 . 1 1 60 60 TRP N N 15 119.227 0.1 . 1 . . . A 52 TRP N . 19212 1 351 . 1 1 61 61 ASN H H 1 8.31 0.01 . 1 . . . A 53 ASN H . 19212 1 352 . 1 1 61 61 ASN HA H 1 4.75 0.01 . 1 . . . A 53 ASN HA . 19212 1 353 . 1 1 61 61 ASN HB2 H 1 2.723 0.01 . 2 . . . A 53 ASN HB2 . 19212 1 354 . 1 1 61 61 ASN HB3 H 1 2.887 0.01 . 2 . . . A 53 ASN HB3 . 19212 1 355 . 1 1 61 61 ASN HD21 H 1 6.92 0.01 . 2 . . . A 53 ASN HD21 . 19212 1 356 . 1 1 61 61 ASN HD22 H 1 7.49 0.01 . 2 . . . A 53 ASN HD22 . 19212 1 357 . 1 1 61 61 ASN N N 15 116.695 0.1 . 1 . . . A 53 ASN N . 19212 1 358 . 1 1 62 62 ASP H H 1 8.09 0.01 . 1 . . . A 54 ASP H . 19212 1 359 . 1 1 62 62 ASP HA H 1 4.819 0.01 . 1 . . . A 54 ASP HA . 19212 1 360 . 1 1 62 62 ASP HB2 H 1 2.38 0.01 . 2 . . . A 54 ASP HB2 . 19212 1 361 . 1 1 62 62 ASP HB3 H 1 2.963 0.01 . 2 . . . A 54 ASP HB3 . 19212 1 362 . 1 1 62 62 ASP N N 15 119.908 0.1 . 1 . . . A 54 ASP N . 19212 1 363 . 1 1 63 63 ASP H H 1 8.52 0.01 . 1 . . . A 55 ASP H . 19212 1 364 . 1 1 63 63 ASP HA H 1 5.023 0.01 . 1 . . . A 55 ASP HA . 19212 1 365 . 1 1 63 63 ASP HB2 H 1 2.614 0.01 . 2 . . . A 55 ASP HB2 . 19212 1 366 . 1 1 63 63 ASP HB3 H 1 3.09 0.01 . 2 . . . A 55 ASP HB3 . 19212 1 367 . 1 1 63 63 ASP N N 15 121.524 0.1 . 1 . . . A 55 ASP N . 19212 1 368 . 1 1 64 64 ARG H H 1 8.392 0.01 . 1 . . . A 56 ARG H . 19212 1 369 . 1 1 64 64 ARG HA H 1 5.291 0.01 . 1 . . . A 56 ARG HA . 19212 1 370 . 1 1 64 64 ARG HB2 H 1 1.504 0.01 . 1 . . . A 56 ARG HB2 . 19212 1 371 . 1 1 64 64 ARG HB3 H 1 1.504 0.01 . 1 . . . A 56 ARG HB3 . 19212 1 372 . 1 1 64 64 ARG HG2 H 1 1.365 0.01 . 1 . . . A 56 ARG HG2 . 19212 1 373 . 1 1 64 64 ARG HG3 H 1 1.365 0.01 . 1 . . . A 56 ARG HG3 . 19212 1 374 . 1 1 64 64 ARG HD2 H 1 3.105 0.01 . 2 . . . A 56 ARG HD2 . 19212 1 375 . 1 1 64 64 ARG HD3 H 1 3.209 0.01 . 2 . . . A 56 ARG HD3 . 19212 1 376 . 1 1 64 64 ARG N N 15 119.97 0.1 . 1 . . . A 56 ARG N . 19212 1 377 . 1 1 65 65 CYS H H 1 9.222 0.01 . 1 . . . A 57 CYS H . 19212 1 378 . 1 1 65 65 CYS HA H 1 4.856 0.01 . 1 . . . A 57 CYS HA . 19212 1 379 . 1 1 65 65 CYS HB2 H 1 2.685 0.01 . 2 . . . A 57 CYS HB2 . 19212 1 380 . 1 1 65 65 CYS HB3 H 1 3.871 0.01 . 2 . . . A 57 CYS HB3 . 19212 1 381 . 1 1 65 65 CYS N N 15 119.286 0.1 . 1 . . . A 57 CYS N . 19212 1 382 . 1 1 66 66 THR H H 1 10.048 0.01 . 1 . . . A 58 THR H . 19212 1 383 . 1 1 66 66 THR HA H 1 4.442 0.01 . 1 . . . A 58 THR HA . 19212 1 384 . 1 1 66 66 THR HB H 1 4.51 0.01 . 1 . . . A 58 THR HB . 19212 1 385 . 1 1 66 66 THR HG21 H 1 1.415 0.01 . 1 . . . A 58 THR HG21 . 19212 1 386 . 1 1 66 66 THR HG22 H 1 1.415 0.01 . 1 . . . A 58 THR HG22 . 19212 1 387 . 1 1 66 66 THR HG23 H 1 1.415 0.01 . 1 . . . A 58 THR HG23 . 19212 1 388 . 1 1 66 66 THR N N 15 113.194 0.1 . 1 . . . A 58 THR N . 19212 1 389 . 1 1 67 67 GLY H H 1 8.458 0.01 . 1 . . . A 59 GLY H . 19212 1 390 . 1 1 67 67 GLY HA2 H 1 4.46 0.01 . 1 . . . A 59 GLY HA2 . 19212 1 391 . 1 1 67 67 GLY HA3 H 1 4.46 0.01 . 1 . . . A 59 GLY HA3 . 19212 1 392 . 1 1 67 67 GLY N N 15 111.765 0.1 . 1 . . . A 59 GLY N . 19212 1 393 . 1 1 68 68 GLN H H 1 7.857 0.01 . 1 . . . A 60 GLN H . 19212 1 394 . 1 1 68 68 GLN HA H 1 4.298 0.01 . 1 . . . A 60 GLN HA . 19212 1 395 . 1 1 68 68 GLN HB2 H 1 1.692 0.01 . 2 . . . A 60 GLN HB2 . 19212 1 396 . 1 1 68 68 GLN HB3 H 1 2.215 0.01 . 2 . . . A 60 GLN HB3 . 19212 1 397 . 1 1 68 68 GLN N N 15 114.377 0.1 . 1 . . . A 60 GLN N . 19212 1 398 . 1 1 68 68 GLN NE2 N 15 114.811 0.1 . 1 . . . A 60 GLN NE2 . 19212 1 399 . 1 1 69 69 SER H H 1 6.54 0.01 . 1 . . . A 61 SER H . 19212 1 400 . 1 1 69 69 SER HA H 1 3.88 0.01 . 1 . . . A 61 SER HA . 19212 1 401 . 1 1 69 69 SER HB2 H 1 3.621 0.01 . 2 . . . A 61 SER HB2 . 19212 1 402 . 1 1 69 69 SER HB3 H 1 3.88 0.01 . 2 . . . A 61 SER HB3 . 19212 1 403 . 1 1 69 69 SER N N 15 110.77 0.1 . 1 . . . A 61 SER N . 19212 1 404 . 1 1 70 70 ALA H H 1 8.936 0.01 . 1 . . . A 62 ALA H . 19212 1 405 . 1 1 70 70 ALA HA H 1 4.435 0.01 . 1 . . . A 62 ALA HA . 19212 1 406 . 1 1 70 70 ALA HB1 H 1 1.827 0.01 . 1 . . . A 62 ALA HB1 . 19212 1 407 . 1 1 70 70 ALA HB2 H 1 1.827 0.01 . 1 . . . A 62 ALA HB2 . 19212 1 408 . 1 1 70 70 ALA HB3 H 1 1.827 0.01 . 1 . . . A 62 ALA HB3 . 19212 1 409 . 1 1 70 70 ALA N N 15 125.565 0.1 . 1 . . . A 62 ALA N . 19212 1 410 . 1 1 71 71 ASP H H 1 8.117 0.01 . 1 . . . A 63 ASP H . 19212 1 411 . 1 1 71 71 ASP HA H 1 4.895 0.01 . 1 . . . A 63 ASP HA . 19212 1 412 . 1 1 71 71 ASP HB2 H 1 2.543 0.01 . 2 . . . A 63 ASP HB2 . 19212 1 413 . 1 1 71 71 ASP HB3 H 1 2.671 0.01 . 2 . . . A 63 ASP HB3 . 19212 1 414 . 1 1 71 71 ASP N N 15 117.546 0.1 . 1 . . . A 63 ASP N . 19212 1 415 . 1 1 72 72 CYS H H 1 8.868 0.01 . 1 . . . A 64 CYS H . 19212 1 416 . 1 1 72 72 CYS HA H 1 5.441 0.01 . 1 . . . A 64 CYS HA . 19212 1 417 . 1 1 72 72 CYS HB2 H 1 2.762 0.01 . 2 . . . A 64 CYS HB2 . 19212 1 418 . 1 1 72 72 CYS HB3 H 1 3.101 0.01 . 2 . . . A 64 CYS HB3 . 19212 1 419 . 1 1 72 72 CYS N N 15 121.338 0.1 . 1 . . . A 64 CYS N . 19212 1 420 . 1 1 73 73 PRO HA H 1 4.361 0.01 . 1 . . . A 65 PRO HA . 19212 1 421 . 1 1 73 73 PRO HB2 H 1 2.19 0.01 . 2 . . . A 65 PRO HB2 . 19212 1 422 . 1 1 73 73 PRO HB3 H 1 1.822 0.01 . 2 . . . A 65 PRO HB3 . 19212 1 423 . 1 1 73 73 PRO HG2 H 1 1.961 0.01 . 2 . . . A 65 PRO HG2 . 19212 1 424 . 1 1 73 73 PRO HG3 H 1 2.092 0.01 . 2 . . . A 65 PRO HG3 . 19212 1 425 . 1 1 73 73 PRO HD2 H 1 3.692 0.01 . 2 . . . A 65 PRO HD2 . 19212 1 426 . 1 1 73 73 PRO HD3 H 1 4.027 0.01 . 2 . . . A 65 PRO HD3 . 19212 1 427 . 1 1 74 74 ARG H H 1 8.232 0.01 . 1 . . . A 66 ARG H . 19212 1 428 . 1 1 74 74 ARG HA H 1 4.386 0.01 . 1 . . . A 66 ARG HA . 19212 1 429 . 1 1 74 74 ARG HB2 H 1 1.615 0.01 . 2 . . . A 66 ARG HB2 . 19212 1 430 . 1 1 74 74 ARG HB3 H 1 1.732 0.01 . 2 . . . A 66 ARG HB3 . 19212 1 431 . 1 1 74 74 ARG HG2 H 1 1.524 0.01 . 1 . . . A 66 ARG HG2 . 19212 1 432 . 1 1 74 74 ARG HG3 H 1 1.524 0.01 . 1 . . . A 66 ARG HG3 . 19212 1 433 . 1 1 74 74 ARG HD2 H 1 3.125 0.01 . 1 . . . A 66 ARG HD2 . 19212 1 434 . 1 1 74 74 ARG HD3 H 1 3.125 0.01 . 1 . . . A 66 ARG HD3 . 19212 1 435 . 1 1 74 74 ARG N N 15 119.93 0.1 . 1 . . . A 66 ARG N . 19212 1 436 . 1 1 75 75 ASN H H 1 8.887 0.01 . 1 . . . A 67 ASN H . 19212 1 437 . 1 1 75 75 ASN HA H 1 4.784 0.01 . 1 . . . A 67 ASN HA . 19212 1 438 . 1 1 75 75 ASN HB2 H 1 2.621 0.01 . 2 . . . A 67 ASN HB2 . 19212 1 439 . 1 1 75 75 ASN HB3 H 1 2.742 0.01 . 2 . . . A 67 ASN HB3 . 19212 1 440 . 1 1 75 75 ASN HD21 H 1 6.588 0.01 . 2 . . . A 67 ASN HD21 . 19212 1 441 . 1 1 75 75 ASN HD22 H 1 7.92 0.01 . 2 . . . A 67 ASN HD22 . 19212 1 442 . 1 1 75 75 ASN N N 15 124.642 0.1 . 1 . . . A 67 ASN N . 19212 1 443 . 1 1 76 76 PRO HA H 1 4.313 0.01 . 1 . . . A 68 PRO HA . 19212 1 444 . 1 1 76 76 PRO HB2 H 1 2.114 0.01 . 2 . . . A 68 PRO HB2 . 19212 1 445 . 1 1 76 76 PRO HB3 H 1 1.877 0.01 . 2 . . . A 68 PRO HB3 . 19212 1 446 . 1 1 76 76 PRO HG2 H 1 1.672 0.01 . 2 . . . A 68 PRO HG2 . 19212 1 447 . 1 1 76 76 PRO HG3 H 1 1.672 0.01 . 2 . . . A 68 PRO HG3 . 19212 1 448 . 1 1 76 76 PRO HD2 H 1 3.538 0.01 . 2 . . . A 68 PRO HD2 . 19212 1 449 . 1 1 76 76 PRO HD3 H 1 3.753 0.01 . 2 . . . A 68 PRO HD3 . 19212 1 450 . 1 1 77 77 TRP H H 1 7.941 0.01 . 1 . . . A 69 TRP H . 19212 1 451 . 1 1 77 77 TRP HA H 1 4.554 0.01 . 1 . . . A 69 TRP HA . 19212 1 452 . 1 1 77 77 TRP HB2 H 1 2.934 0.01 . 2 . . . A 69 TRP HB2 . 19212 1 453 . 1 1 77 77 TRP HB3 H 1 3.049 0.01 . 2 . . . A 69 TRP HB3 . 19212 1 454 . 1 1 77 77 TRP HD1 H 1 7.126 0.01 . 1 . . . A 69 TRP HD1 . 19212 1 455 . 1 1 77 77 TRP HE1 H 1 10.076 0.01 . 1 . . . A 69 TRP HE1 . 19212 1 456 . 1 1 77 77 TRP HE3 H 1 7.529 0.01 . 1 . . . A 69 TRP HE3 . 19212 1 457 . 1 1 77 77 TRP HZ2 H 1 7.23 0.01 . 1 . . . A 69 TRP HZ2 . 19212 1 458 . 1 1 77 77 TRP HZ3 H 1 7.173 0.01 . 1 . . . A 69 TRP HZ3 . 19212 1 459 . 1 1 77 77 TRP HH2 H 1 7.386 0.01 . 1 . . . A 69 TRP HH2 . 19212 1 460 . 1 1 77 77 TRP N N 15 118.875 0.1 . 1 . . . A 69 TRP N . 19212 1 461 . 1 1 78 78 ASN H H 1 7.866 0.01 . 1 . . . A 70 ASN H . 19212 1 462 . 1 1 78 78 ASN HA H 1 4.707 0.01 . 1 . . . A 70 ASN HA . 19212 1 463 . 1 1 78 78 ASN HB2 H 1 2.505 0.01 . 2 . . . A 70 ASN HB2 . 19212 1 464 . 1 1 78 78 ASN HB3 H 1 2.616 0.01 . 2 . . . A 70 ASN HB3 . 19212 1 465 . 1 1 78 78 ASN HD21 H 1 6.917 0.01 . 2 . . . A 70 ASN HD21 . 19212 1 466 . 1 1 78 78 ASN HD22 H 1 7.597 0.01 . 2 . . . A 70 ASN HD22 . 19212 1 467 . 1 1 78 78 ASN N N 15 119.579 0.1 . 1 . . . A 70 ASN N . 19212 1 468 . 1 1 79 79 GLY H H 1 7.199 0.01 . 1 . . . A 71 GLY H . 19212 1 469 . 1 1 79 79 GLY HA2 H 1 3.611 0.01 . 2 . . . A 71 GLY HA2 . 19212 1 470 . 1 1 79 79 GLY HA3 H 1 3.611 0.01 . 2 . . . A 71 GLY HA3 . 19212 1 471 . 1 1 79 79 GLY N N 15 114.023 0.1 . 1 . . . A 71 GLY N . 19212 1 stop_ save_