################################### # 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 19503 _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' 1 $sample_1 . 19503 1 2 '2D 1H-1H TOCSY' 1 $sample_1 . 19503 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 ARG HA H 1 3.572 0.01 . 1 . . . A 1 ARG HA . 19503 1 2 . 1 1 1 1 ARG HB2 H 1 1.860 0.01 . 1 . . . A 1 ARG HB2 . 19503 1 3 . 1 1 1 1 ARG HB3 H 1 1.860 0.01 . 1 . . . A 1 ARG HB3 . 19503 1 4 . 1 1 1 1 ARG HG2 H 1 1.745 0.01 . 2 . . . A 1 ARG HG2 . 19503 1 5 . 1 1 1 1 ARG HG3 H 1 1.610 0.01 . 2 . . . A 1 ARG HG3 . 19503 1 6 . 1 1 1 1 ARG HE H 1 7.403 0.01 . 1 . . . A 1 ARG HE . 19503 1 7 . 1 1 2 2 TRP H H 1 8.666 0.02 . 1 . . . A 2 TRP H . 19503 1 8 . 1 1 2 2 TRP HA H 1 5.561 0.01 . 1 . . . A 2 TRP HA . 19503 1 9 . 1 1 2 2 TRP HB2 H 1 3.154 0.01 . 1 . . . A 2 TRP HB2 . 19503 1 10 . 1 1 2 2 TRP HB3 H 1 2.859 0.01 . 1 . . . A 2 TRP HB3 . 19503 1 11 . 1 1 2 2 TRP HD1 H 1 7.535 0.01 . 1 . . . A 2 TRP HD1 . 19503 1 12 . 1 1 2 2 TRP HE1 H 1 10.44 0.01 . 1 . . . A 2 TRP HE1 . 19503 1 13 . 1 1 2 2 TRP HE3 H 1 7.640 0.01 . 1 . . . A 2 TRP HE3 . 19503 1 14 . 1 1 2 2 TRP HZ2 H 1 7.420 0.01 . 1 . . . A 2 TRP HZ2 . 19503 1 15 . 1 1 2 2 TRP HZ3 H 1 7.042 0.01 . 1 . . . A 2 TRP HZ3 . 19503 1 16 . 1 1 2 2 TRP HH2 H 1 7.181 0.01 . 1 . . . A 2 TRP HH2 . 19503 1 17 . 1 1 3 3 PHE H H 1 9.545 0.02 . 1 . . . A 3 PHE H . 19503 1 18 . 1 1 3 3 PHE HA H 1 4.970 0.01 . 1 . . . A 3 PHE HA . 19503 1 19 . 1 1 3 3 PHE HB2 H 1 3.047 0.01 . 1 . . . A 3 PHE HB2 . 19503 1 20 . 1 1 3 3 PHE HB3 H 1 2.727 0.01 . 1 . . . A 3 PHE HB3 . 19503 1 21 . 1 1 3 3 PHE HD1 H 1 7.055 0.01 . 3 . . . A 3 PHE HD1 . 19503 1 22 . 1 1 3 3 PHE HD2 H 1 7.055 0.01 . 3 . . . A 3 PHE HD2 . 19503 1 23 . 1 1 3 3 PHE HE1 H 1 7.002 0.01 . 3 . . . A 3 PHE HE1 . 19503 1 24 . 1 1 3 3 PHE HE2 H 1 7.002 0.01 . 3 . . . A 3 PHE HE2 . 19503 1 25 . 1 1 3 3 PHE HZ H 1 7.104 0.01 . 1 . . . A 3 PHE HZ . 19503 1 26 . 1 1 4 4 TYR H H 1 9.247 0.02 . 1 . . . A 4 TYR H . 19503 1 27 . 1 1 4 4 TYR HA H 1 5.351 0.01 . 1 . . . A 4 TYR HA . 19503 1 28 . 1 1 4 4 TYR HB2 H 1 2.943 0.01 . 1 . . . A 4 TYR HB2 . 19503 1 29 . 1 1 4 4 TYR HB3 H 1 2.677 0.01 . 1 . . . A 4 TYR HB3 . 19503 1 30 . 1 1 4 4 TYR HD1 H 1 6.844 0.01 . 3 . . . A 4 TYR HD1 . 19503 1 31 . 1 1 4 4 TYR HD2 H 1 6.844 0.01 . 3 . . . A 4 TYR HD2 . 19503 1 32 . 1 1 4 4 TYR HE1 H 1 6.743 0.01 . 3 . . . A 4 TYR HE1 . 19503 1 33 . 1 1 4 4 TYR HE2 H 1 6.743 0.01 . 3 . . . A 4 TYR HE2 . 19503 1 34 . 1 1 5 5 PHE H H 1 9.728 0.02 . 1 . . . A 5 PHE H . 19503 1 35 . 1 1 5 5 PHE HA H 1 5.669 0.01 . 1 . . . A 5 PHE HA . 19503 1 36 . 1 1 5 5 PHE HB2 H 1 3.069 0.01 . 1 . . . A 5 PHE HB2 . 19503 1 37 . 1 1 5 5 PHE HB3 H 1 2.777 0.01 . 1 . . . A 5 PHE HB3 . 19503 1 38 . 1 1 5 5 PHE HD1 H 1 7.005 0.01 . 3 . . . A 5 PHE HD1 . 19503 1 39 . 1 1 5 5 PHE HD2 H 1 7.005 0.01 . 3 . . . A 5 PHE HD2 . 19503 1 40 . 1 1 5 5 PHE HE1 H 1 7.219 0.01 . 3 . . . A 5 PHE HE1 . 19503 1 41 . 1 1 5 5 PHE HE2 H 1 7.219 0.01 . 3 . . . A 5 PHE HE2 . 19503 1 42 . 1 1 5 5 PHE HZ H 1 7.316 0.01 . 1 . . . A 5 PHE HZ . 19503 1 43 . 1 1 6 6 ASN H H 1 8.374 0.02 . 1 . . . A 6 ASN H . 19503 1 44 . 1 1 6 6 ASN HA H 1 4.326 0.01 . 1 . . . A 6 ASN HA . 19503 1 45 . 1 1 6 6 ASN HB2 H 1 2.132 0.01 . 1 . . . A 6 ASN HB2 . 19503 1 46 . 1 1 6 6 ASN HB3 H 1 -0.51 0.01 . 1 . . . A 6 ASN HB3 . 19503 1 47 . 1 1 6 6 ASN HD21 H 1 3.771 0.01 . 1 . . . A 6 ASN HD21 . 19503 1 48 . 1 1 6 6 ASN HD22 H 1 6.583 0.01 . 1 . . . A 6 ASN HD22 . 19503 1 49 . 1 1 7 7 ARG H H 1 8.391 0.02 . 1 . . . A 7 ARG H . 19503 1 50 . 1 1 7 7 ARG HA H 1 3.846 0.01 . 1 . . . A 7 ARG HA . 19503 1 51 . 1 1 7 7 ARG HB2 H 1 1.819 0.01 . 1 . . . A 7 ARG HB2 . 19503 1 52 . 1 1 7 7 ARG HB3 H 1 1.822 0.01 . 1 . . . A 7 ARG HB3 . 19503 1 53 . 1 1 7 7 ARG HG2 H 1 1.725 0.01 . 2 . . . A 7 ARG HG2 . 19503 1 54 . 1 1 7 7 ARG HG3 H 1 1.620 0.01 . 2 . . . A 7 ARG HG3 . 19503 1 55 . 1 1 7 7 ARG HD2 H 1 3.337 0.01 . 2 . . . A 7 ARG HD2 . 19503 1 56 . 1 1 7 7 ARG HD3 H 1 3.203 0.01 . 2 . . . A 7 ARG HD3 . 19503 1 57 . 1 1 7 7 ARG HE H 1 7.602 0.01 . 1 . . . A 7 ARG HE . 19503 1 58 . 1 1 8 8 ILE H H 1 8.067 0.02 . 1 . . . A 8 ILE H . 19503 1 59 . 1 1 8 8 ILE HA H 1 3.835 0.01 . 1 . . . A 8 ILE HA . 19503 1 60 . 1 1 8 8 ILE HB H 1 2.013 0.01 . 1 . . . A 8 ILE HB . 19503 1 61 . 1 1 8 8 ILE HG12 H 1 1.466 0.01 . 2 . . . A 8 ILE HG12 . 19503 1 62 . 1 1 8 8 ILE HG13 H 1 1.079 0.01 . 2 . . . A 8 ILE HG13 . 19503 1 63 . 1 1 8 8 ILE HG21 H 1 0.796 0.01 . 1 . . . A 8 ILE HG21 . 19503 1 64 . 1 1 8 8 ILE HG22 H 1 0.796 0.01 . 1 . . . A 8 ILE HG22 . 19503 1 65 . 1 1 8 8 ILE HG23 H 1 0.796 0.01 . 1 . . . A 8 ILE HG23 . 19503 1 66 . 1 1 8 8 ILE HD11 H 1 0.766 0.01 . 1 . . . A 8 ILE HD11 . 19503 1 67 . 1 1 8 8 ILE HD12 H 1 0.766 0.01 . 1 . . . A 8 ILE HD12 . 19503 1 68 . 1 1 8 8 ILE HD13 H 1 0.766 0.01 . 1 . . . A 8 ILE HD13 . 19503 1 69 . 1 1 9 9 THR H H 1 7.709 0.02 . 1 . . . A 9 THR H . 19503 1 70 . 1 1 9 9 THR HA H 1 4.174 0.01 . 1 . . . A 9 THR HA . 19503 1 71 . 1 1 9 9 THR HB H 1 4.223 0.01 . 1 . . . A 9 THR HB . 19503 1 72 . 1 1 9 9 THR HG21 H 1 1.013 0.01 . 1 . . . A 9 THR HG21 . 19503 1 73 . 1 1 9 9 THR HG22 H 1 1.013 0.01 . 1 . . . A 9 THR HG22 . 19503 1 74 . 1 1 9 9 THR HG23 H 1 1.013 0.01 . 1 . . . A 9 THR HG23 . 19503 1 75 . 1 1 10 10 GLY H H 1 8.311 0.02 . 1 . . . A 10 GLY H . 19503 1 76 . 1 1 10 10 GLY HA2 H 1 4.023 0.01 . 1 . . . A 10 GLY HA2 . 19503 1 77 . 1 1 10 10 GLY HA3 H 1 3.535 0.01 . 1 . . . A 10 GLY HA3 . 19503 1 78 . 1 1 11 11 LYS H H 1 7.005 0.02 . 1 . . . A 11 LYS H . 19503 1 79 . 1 1 11 11 LYS HA H 1 4.294 0.01 . 1 . . . A 11 LYS HA . 19503 1 80 . 1 1 11 11 LYS HB2 H 1 1.848 0.01 . 2 . . . A 11 LYS HB2 . 19503 1 81 . 1 1 11 11 LYS HB3 H 1 1.523 0.01 . 2 . . . A 11 LYS HB3 . 19503 1 82 . 1 1 11 11 LYS HG2 H 1 1.448 0.01 . 2 . . . A 11 LYS HG2 . 19503 1 83 . 1 1 11 11 LYS HG3 H 1 1.393 0.01 . 2 . . . A 11 LYS HG3 . 19503 1 84 . 1 1 11 11 LYS HD2 H 1 1.742 0.01 . 2 . . . A 11 LYS HD2 . 19503 1 85 . 1 1 11 11 LYS HD3 H 1 1.742 0.01 . 2 . . . A 11 LYS HD3 . 19503 1 86 . 1 1 11 11 LYS HE2 H 1 3.056 0.01 . 2 . . . A 11 LYS HE2 . 19503 1 87 . 1 1 11 11 LYS HE3 H 1 3.056 0.01 . 2 . . . A 11 LYS HE3 . 19503 1 88 . 1 1 12 12 ARG H H 1 8.517 0.02 . 1 . . . A 12 ARG H . 19503 1 89 . 1 1 12 12 ARG HA H 1 6.152 0.01 . 1 . . . A 12 ARG HA . 19503 1 90 . 1 1 12 12 ARG HB2 H 1 1.970 0.01 . 1 . . . A 12 ARG HB2 . 19503 1 91 . 1 1 12 12 ARG HB3 H 1 1.856 0.01 . 1 . . . A 12 ARG HB3 . 19503 1 92 . 1 1 12 12 ARG HG2 H 1 1.802 0.01 . 2 . . . A 12 ARG HG2 . 19503 1 93 . 1 1 12 12 ARG HG3 H 1 1.608 0.01 . 2 . . . A 12 ARG HG3 . 19503 1 94 . 1 1 12 12 ARG HD2 H 1 2.876 0.01 . 2 . . . A 12 ARG HD2 . 19503 1 95 . 1 1 12 12 ARG HD3 H 1 2.856 0.01 . 2 . . . A 12 ARG HD3 . 19503 1 96 . 1 1 12 12 ARG HE H 1 6.651 0.01 . 1 . . . A 12 ARG HE . 19503 1 97 . 1 1 13 13 GLN H H 1 9.431 0.02 . 1 . . . A 13 GLN H . 19503 1 98 . 1 1 13 13 GLN HA H 1 4.842 0.01 . 1 . . . A 13 GLN HA . 19503 1 99 . 1 1 13 13 GLN HB2 H 1 2.147 0.01 . 1 . . . A 13 GLN HB2 . 19503 1 100 . 1 1 13 13 GLN HB3 H 1 2.116 0.01 . 1 . . . A 13 GLN HB3 . 19503 1 101 . 1 1 13 13 GLN HG2 H 1 2.486 0.01 . 1 . . . A 13 GLN HG2 . 19503 1 102 . 1 1 13 13 GLN HG3 H 1 2.421 0.01 . 1 . . . A 13 GLN HG3 . 19503 1 103 . 1 1 13 13 GLN HE21 H 1 7.256 0.01 . 2 . . . A 13 GLN HE21 . 19503 1 104 . 1 1 13 13 GLN HE22 H 1 6.550 0.01 . 2 . . . A 13 GLN HE22 . 19503 1 105 . 1 1 14 14 PHE H H 1 9.110 0.02 . 1 . . . A 14 PHE H . 19503 1 106 . 1 1 14 14 PHE HA H 1 4.911 0.01 . 1 . . . A 14 PHE HA . 19503 1 107 . 1 1 14 14 PHE HB2 H 1 3.446 0.01 . 2 . . . A 14 PHE HB2 . 19503 1 108 . 1 1 14 14 PHE HB3 H 1 2.991 0.01 . 2 . . . A 14 PHE HB3 . 19503 1 109 . 1 1 14 14 PHE HD1 H 1 7.583 0.01 . 3 . . . A 14 PHE HD1 . 19503 1 110 . 1 1 14 14 PHE HD2 H 1 7.583 0.01 . 3 . . . A 14 PHE HD2 . 19503 1 111 . 1 1 14 14 PHE HE1 H 1 7.274 0.01 . 3 . . . A 14 PHE HE1 . 19503 1 112 . 1 1 14 14 PHE HE2 H 1 7.274 0.01 . 3 . . . A 14 PHE HE2 . 19503 1 113 . 1 1 14 14 PHE HZ H 1 7.191 0.01 . 1 . . . A 14 PHE HZ . 19503 1 114 . 1 1 15 15 GLU H H 1 8.138 0.02 . 1 . . . A 15 GLU H . 19503 1 115 . 1 1 15 15 GLU HA H 1 4.371 0.01 . 1 . . . A 15 GLU HA . 19503 1 116 . 1 1 15 15 GLU HB2 H 1 1.881 0.01 . 1 . . . A 15 GLU HB2 . 19503 1 117 . 1 1 15 15 GLU HB3 H 1 1.869 0.01 . 1 . . . A 15 GLU HB3 . 19503 1 118 . 1 1 15 15 GLU HG2 H 1 2.297 0.01 . 1 . . . A 15 GLU HG2 . 19503 1 119 . 1 1 15 15 GLU HG3 H 1 2.257 0.01 . 1 . . . A 15 GLU HG3 . 19503 1 120 . 1 1 16 16 ARG H H 1 8.549 0.02 . 1 . . . A 16 ARG H . 19503 1 121 . 1 1 16 16 ARG HA H 1 2.901 0.01 . 1 . . . A 16 ARG HA . 19503 1 122 . 1 1 16 16 ARG HB2 H 1 1.429 0.01 . 1 . . . A 16 ARG HB2 . 19503 1 123 . 1 1 16 16 ARG HB3 H 1 1.408 0.01 . 1 . . . A 16 ARG HB3 . 19503 1 124 . 1 1 16 16 ARG HG2 H 1 1.128 0.01 . 2 . . . A 16 ARG HG2 . 19503 1 125 . 1 1 16 16 ARG HG3 H 1 1.128 0.01 . 2 . . . A 16 ARG HG3 . 19503 1 126 . 1 1 17 17 PRO HA H 1 3.787 0.01 . 1 . . . A 17 PRO HA . 19503 1 127 . 1 1 17 17 PRO HB2 H 1 1.076 0.01 . 1 . . . A 17 PRO HB2 . 19503 1 128 . 1 1 17 17 PRO HB3 H 1 0.988 0.01 . 1 . . . A 17 PRO HB3 . 19503 1 129 . 1 1 17 17 PRO HG2 H 1 0.551 0.01 . 1 . . . A 17 PRO HG2 . 19503 1 130 . 1 1 17 17 PRO HG3 H 1 0.012 0.01 . 1 . . . A 17 PRO HG3 . 19503 1 131 . 1 1 17 17 PRO HD2 H 1 2.280 0.01 . 1 . . . A 17 PRO HD2 . 19503 1 132 . 1 1 17 17 PRO HD3 H 1 2.351 0.01 . 1 . . . A 17 PRO HD3 . 19503 1 133 . 1 1 18 18 LYS H H 1 8.296 0.02 . 1 . . . A 18 LYS H . 19503 1 134 . 1 1 18 18 LYS HA H 1 4.177 0.01 . 1 . . . A 18 LYS HA . 19503 1 135 . 1 1 18 18 LYS HB2 H 1 1.749 0.01 . 2 . . . A 18 LYS HB2 . 19503 1 136 . 1 1 18 18 LYS HB3 H 1 1.650 0.01 . 2 . . . A 18 LYS HB3 . 19503 1 137 . 1 1 18 18 LYS HG2 H 1 1.412 0.01 . 2 . . . A 18 LYS HG2 . 19503 1 138 . 1 1 18 18 LYS HG3 H 1 1.330 0.01 . 2 . . . A 18 LYS HG3 . 19503 1 139 . 1 1 18 18 LYS HD2 H 1 1.618 0.01 . 2 . . . A 18 LYS HD2 . 19503 1 140 . 1 1 18 18 LYS HD3 H 1 1.618 0.01 . 2 . . . A 18 LYS HD3 . 19503 1 141 . 1 1 18 18 LYS HE2 H 1 2.942 0.01 . 2 . . . A 18 LYS HE2 . 19503 1 142 . 1 1 18 18 LYS HE3 H 1 2.942 0.01 . 2 . . . A 18 LYS HE3 . 19503 1 143 . 1 1 19 19 GLY H H 1 8.443 0.02 . 1 . . . A 19 GLY H . 19503 1 144 . 1 1 19 19 GLY HA2 H 1 3.979 0.01 . 2 . . . A 19 GLY HA2 . 19503 1 145 . 1 1 19 19 GLY HA3 H 1 3.822 0.01 . 2 . . . A 19 GLY HA3 . 19503 1 146 . 1 1 20 20 LEU H H 1 8.552 0.02 . 1 . . . A 20 LEU H . 19503 1 147 . 1 1 20 20 LEU HA H 1 4.409 0.01 . 1 . . . A 20 LEU HA . 19503 1 148 . 1 1 20 20 LEU HB2 H 1 1.670 0.01 . 2 . . . A 20 LEU HB2 . 19503 1 149 . 1 1 20 20 LEU HB3 H 1 1.670 0.01 . 2 . . . A 20 LEU HB3 . 19503 1 150 . 1 1 20 20 LEU HG H 1 1.620 0.01 . 1 . . . A 20 LEU HG . 19503 1 151 . 1 1 20 20 LEU HD11 H 1 0.951 0.01 . 2 . . . A 20 LEU HD11 . 19503 1 152 . 1 1 20 20 LEU HD12 H 1 0.951 0.01 . 2 . . . A 20 LEU HD12 . 19503 1 153 . 1 1 20 20 LEU HD13 H 1 0.951 0.01 . 2 . . . A 20 LEU HD13 . 19503 1 154 . 1 1 20 20 LEU HD21 H 1 0.886 0.01 . 2 . . . A 20 LEU HD21 . 19503 1 155 . 1 1 20 20 LEU HD22 H 1 0.886 0.01 . 2 . . . A 20 LEU HD22 . 19503 1 156 . 1 1 20 20 LEU HD23 H 1 0.886 0.01 . 2 . . . A 20 LEU HD23 . 19503 1 157 . 1 1 21 21 VAL H H 1 8.018 0.02 . 1 . . . A 21 VAL H . 19503 1 158 . 1 1 21 21 VAL HA H 1 4.282 0.01 . 1 . . . A 21 VAL HA . 19503 1 159 . 1 1 21 21 VAL HB H 1 2.285 0.01 . 1 . . . A 21 VAL HB . 19503 1 160 . 1 1 21 21 VAL HG11 H 1 0.963 0.01 . 2 . . . A 21 VAL HG11 . 19503 1 161 . 1 1 21 21 VAL HG12 H 1 0.963 0.01 . 2 . . . A 21 VAL HG12 . 19503 1 162 . 1 1 21 21 VAL HG13 H 1 0.963 0.01 . 2 . . . A 21 VAL HG13 . 19503 1 163 . 1 1 21 21 VAL HG21 H 1 0.963 0.01 . 2 . . . A 21 VAL HG21 . 19503 1 164 . 1 1 21 21 VAL HG22 H 1 0.963 0.01 . 2 . . . A 21 VAL HG22 . 19503 1 165 . 1 1 21 21 VAL HG23 H 1 0.963 0.01 . 2 . . . A 21 VAL HG23 . 19503 1 166 . 1 1 22 22 LYS H H 1 8.371 0.02 . 1 . . . A 22 LYS H . 19503 1 167 . 1 1 22 22 LYS HA H 1 4.349 0.01 . 1 . . . A 22 LYS HA . 19503 1 168 . 1 1 22 22 LYS HB2 H 1 1.830 0.01 . 2 . . . A 22 LYS HB2 . 19503 1 169 . 1 1 22 22 LYS HB3 H 1 1.830 0.01 . 2 . . . A 22 LYS HB3 . 19503 1 170 . 1 1 22 22 LYS HG2 H 1 1.523 0.01 . 2 . . . A 22 LYS HG2 . 19503 1 171 . 1 1 22 22 LYS HG3 H 1 1.428 0.01 . 2 . . . A 22 LYS HG3 . 19503 1 172 . 1 1 22 22 LYS HD2 H 1 1.681 0.01 . 2 . . . A 22 LYS HD2 . 19503 1 173 . 1 1 22 22 LYS HD3 H 1 1.681 0.01 . 2 . . . A 22 LYS HD3 . 19503 1 174 . 1 1 23 23 GLY H H 1 8.919 0.02 . 1 . . . A 23 GLY H . 19503 1 175 . 1 1 23 23 GLY HA2 H 1 4.141 0.01 . 1 . . . A 23 GLY HA2 . 19503 1 176 . 1 1 23 23 GLY HA3 H 1 3.631 0.01 . 1 . . . A 23 GLY HA3 . 19503 1 177 . 1 1 24 24 TRP H H 1 8.079 0.02 . 1 . . . A 24 TRP H . 19503 1 178 . 1 1 24 24 TRP HA H 1 5.125 0.01 . 1 . . . A 24 TRP HA . 19503 1 179 . 1 1 24 24 TRP HB2 H 1 3.384 0.01 . 1 . . . A 24 TRP HB2 . 19503 1 180 . 1 1 24 24 TRP HB3 H 1 3.044 0.01 . 1 . . . A 24 TRP HB3 . 19503 1 181 . 1 1 24 24 TRP HD1 H 1 7.204 0.01 . 1 . . . A 24 TRP HD1 . 19503 1 182 . 1 1 24 24 TRP HE1 H 1 10.28 0.01 . 1 . . . A 24 TRP HE1 . 19503 1 183 . 1 1 24 24 TRP HE3 H 1 7.431 0.01 . 1 . . . A 24 TRP HE3 . 19503 1 184 . 1 1 24 24 TRP HZ2 H 1 7.441 0.01 . 1 . . . A 24 TRP HZ2 . 19503 1 185 . 1 1 24 24 TRP HZ3 H 1 7.001 0.01 . 1 . . . A 24 TRP HZ3 . 19503 1 186 . 1 1 24 24 TRP HH2 H 1 6.946 0.01 . 1 . . . A 24 TRP HH2 . 19503 1 187 . 1 1 25 25 GLU H H 1 9.756 0.02 . 1 . . . A 25 GLU H . 19503 1 188 . 1 1 25 25 GLU HA H 1 4.912 0.01 . 1 . . . A 25 GLU HA . 19503 1 189 . 1 1 25 25 GLU HB2 H 1 2.545 0.01 . 1 . . . A 25 GLU HB2 . 19503 1 190 . 1 1 25 25 GLU HB3 H 1 2.127 0.01 . 1 . . . A 25 GLU HB3 . 19503 1 191 . 1 1 25 25 GLU HG2 H 1 2.242 0.01 . 2 . . . A 25 GLU HG2 . 19503 1 192 . 1 1 25 25 GLU HG3 H 1 2.242 0.01 . 2 . . . A 25 GLU HG3 . 19503 1 193 . 1 1 26 26 LYS H H 1 8.893 0.02 . 1 . . . A 26 LYS H . 19503 1 194 . 1 1 26 26 LYS HA H 1 4.624 0.01 . 1 . . . A 26 LYS HA . 19503 1 195 . 1 1 26 26 LYS HB2 H 1 1.663 0.01 . 1 . . . A 26 LYS HB2 . 19503 1 196 . 1 1 26 26 LYS HB3 H 1 1.441 0.01 . 1 . . . A 26 LYS HB3 . 19503 1 197 . 1 1 26 26 LYS HG2 H 1 1.022 0.01 . 1 . . . A 26 LYS HG2 . 19503 1 198 . 1 1 26 26 LYS HG3 H 1 0.779 0.01 . 1 . . . A 26 LYS HG3 . 19503 1 199 . 1 1 26 26 LYS HD2 H 1 1.205 0.01 . 2 . . . A 26 LYS HD2 . 19503 1 200 . 1 1 26 26 LYS HD3 H 1 1.130 0.01 . 2 . . . A 26 LYS HD3 . 19503 1 201 . 1 1 26 26 LYS HE2 H 1 2.082 0.01 . 1 . . . A 26 LYS HE2 . 19503 1 202 . 1 1 26 26 LYS HE3 H 1 2.003 0.01 . 1 . . . A 26 LYS HE3 . 19503 1 203 . 1 1 27 27 ARG H H 1 9.102 0.02 . 1 . . . A 27 ARG H . 19503 1 204 . 1 1 27 27 ARG HA H 1 4.722 0.01 . 1 . . . A 27 ARG HA . 19503 1 205 . 1 1 27 27 ARG HB2 H 1 1.451 0.01 . 1 . . . A 27 ARG HB2 . 19503 1 206 . 1 1 27 27 ARG HB3 H 1 0.388 0.01 . 1 . . . A 27 ARG HB3 . 19503 1 207 . 1 1 27 27 ARG HG2 H 1 1.502 0.01 . 1 . . . A 27 ARG HG2 . 19503 1 208 . 1 1 27 27 ARG HG3 H 1 1.383 0.01 . 1 . . . A 27 ARG HG3 . 19503 1 209 . 1 1 27 27 ARG HD2 H 1 2.997 0.01 . 2 . . . A 27 ARG HD2 . 19503 1 210 . 1 1 27 27 ARG HD3 H 1 2.737 0.01 . 2 . . . A 27 ARG HD3 . 19503 1 211 . 1 1 27 27 ARG HE H 1 7.409 0.01 . 1 . . . A 27 ARG HE . 19503 1 212 . 1 1 28 28 TRP H H 1 8.426 0.02 . 1 . . . A 28 TRP H . 19503 1 213 . 1 1 28 28 TRP HA H 1 4.963 0.01 . 1 . . . A 28 TRP HA . 19503 1 214 . 1 1 28 28 TRP HB2 H 1 2.856 0.01 . 1 . . . A 28 TRP HB2 . 19503 1 215 . 1 1 28 28 TRP HB3 H 1 2.414 0.01 . 1 . . . A 28 TRP HB3 . 19503 1 216 . 1 1 28 28 TRP HD1 H 1 6.947 0.01 . 1 . . . A 28 TRP HD1 . 19503 1 217 . 1 1 28 28 TRP HE1 H 1 10.04 0.01 . 1 . . . A 28 TRP HE1 . 19503 1 218 . 1 1 28 28 TRP HE3 H 1 5.643 0.01 . 1 . . . A 28 TRP HE3 . 19503 1 219 . 1 1 28 28 TRP HZ2 H 1 7.389 0.01 . 1 . . . A 28 TRP HZ2 . 19503 1 220 . 1 1 28 28 TRP HZ3 H 1 6.407 0.01 . 1 . . . A 28 TRP HZ3 . 19503 1 221 . 1 1 28 28 TRP HH2 H 1 7.068 0.01 . 1 . . . A 28 TRP HH2 . 19503 1 222 . 1 1 29 29 ASP H H 1 8.259 0.02 . 1 . . . A 29 ASP H . 19503 1 223 . 1 1 29 29 ASP HA H 1 4.346 0.01 . 1 . . . A 29 ASP HA . 19503 1 224 . 1 1 29 29 ASP HB2 H 1 2.651 0.01 . 2 . . . A 29 ASP HB2 . 19503 1 225 . 1 1 29 29 ASP HB3 H 1 2.553 0.01 . 2 . . . A 29 ASP HB3 . 19503 1 stop_ save_