################################### # 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 17970 _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 TOCSY' . . . 17970 1 2 '2D DQF-COSY' . . . 17970 1 3 '2D 1H-1H NOESY' . . . 17970 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 2 2 LYS H H 1 8.035 0.020 . 1 . . . A 1 LYS H . 17970 1 2 . 1 1 2 2 LYS HA H 1 3.952 0.020 . 1 . . . A 1 LYS HA . 17970 1 3 . 1 1 2 2 LYS HB2 H 1 1.752 0.020 . 2 . . . A 1 LYS HB2 . 17970 1 4 . 1 1 2 2 LYS HB3 H 1 1.370 0.020 . 2 . . . A 1 LYS HB3 . 17970 1 5 . 1 1 2 2 LYS HG2 H 1 1.080 0.020 . 2 . . . A 1 LYS HG2 . 17970 1 6 . 1 1 2 2 LYS HG3 H 1 0.992 0.020 . 2 . . . A 1 LYS HG3 . 17970 1 7 . 1 1 2 2 LYS HD2 H 1 1.359 0.020 . 1 . . . A 1 LYS HD2 . 17970 1 8 . 1 1 2 2 LYS HD3 H 1 1.359 0.020 . 1 . . . A 1 LYS HD3 . 17970 1 9 . 1 1 2 2 LYS HE2 H 1 2.702 0.020 . 1 . . . A 1 LYS HE2 . 17970 1 10 . 1 1 2 2 LYS HE3 H 1 2.702 0.020 . 1 . . . A 1 LYS HE3 . 17970 1 11 . 1 1 3 3 PHE H H 1 8.329 0.020 . 1 . . . A 2 PHE H . 17970 1 12 . 1 1 3 3 PHE HA H 1 4.552 0.020 . 1 . . . A 2 PHE HA . 17970 1 13 . 1 1 3 3 PHE HB2 H 1 2.975 0.020 . 2 . . . A 2 PHE HB2 . 17970 1 14 . 1 1 3 3 PHE HB3 H 1 2.708 0.020 . 2 . . . A 2 PHE HB3 . 17970 1 15 . 1 1 3 3 PHE HD1 H 1 7.040 0.020 . 1 . . . A 2 PHE HD1 . 17970 1 16 . 1 1 3 3 PHE HD2 H 1 7.040 0.020 . 1 . . . A 2 PHE HD2 . 17970 1 17 . 1 1 3 3 PHE HE1 H 1 7.117 0.020 . 1 . . . A 2 PHE HE1 . 17970 1 18 . 1 1 3 3 PHE HE2 H 1 7.117 0.020 . 1 . . . A 2 PHE HE2 . 17970 1 19 . 1 1 4 4 GLU H H 1 8.018 0.020 . 1 . . . A 3 GLU H . 17970 1 20 . 1 1 4 4 GLU HA H 1 4.283 0.020 . 1 . . . A 3 GLU HA . 17970 1 21 . 1 1 4 4 GLU HB2 H 1 1.701 0.020 . 1 . . . A 3 GLU HB2 . 17970 1 22 . 1 1 4 4 GLU HB3 H 1 1.701 0.020 . 1 . . . A 3 GLU HB3 . 17970 1 23 . 1 1 4 4 GLU HG2 H 1 2.003 0.020 . 1 . . . A 3 GLU HG2 . 17970 1 24 . 1 1 4 4 GLU HG3 H 1 2.003 0.020 . 1 . . . A 3 GLU HG3 . 17970 1 25 . 1 1 5 5 ASP H H 1 8.096 0.020 . 1 . . . A 4 ASP H . 17970 1 26 . 1 1 5 5 ASP HA H 1 4.427 0.020 . 1 . . . A 4 ASP HA . 17970 1 27 . 1 1 5 5 ASP HB2 H 1 2.567 0.020 . 2 . . . A 4 ASP HB2 . 17970 1 28 . 1 1 5 5 ASP HB3 H 1 2.261 0.020 . 2 . . . A 4 ASP HB3 . 17970 1 29 . 1 1 6 6 TRP H H 1 8.330 0.020 . 1 . . . A 5 TRP H . 17970 1 30 . 1 1 6 6 TRP HA H 1 4.867 0.020 . 1 . . . A 5 TRP HA . 17970 1 31 . 1 1 6 6 TRP HB2 H 1 3.128 0.020 . 2 . . . A 5 TRP HB2 . 17970 1 32 . 1 1 6 6 TRP HB3 H 1 2.862 0.020 . 2 . . . A 5 TRP HB3 . 17970 1 33 . 1 1 6 6 TRP HD1 H 1 6.917 0.020 . 1 . . . A 5 TRP HD1 . 17970 1 34 . 1 1 6 6 TRP HE1 H 1 9.467 0.020 . 1 . . . A 5 TRP HE1 . 17970 1 35 . 1 1 6 6 TRP HE3 H 1 7.126 0.020 . 1 . . . A 5 TRP HE3 . 17970 1 36 . 1 1 6 6 TRP HZ2 H 1 6.420 0.020 . 1 . . . A 5 TRP HZ2 . 17970 1 37 . 1 1 6 6 TRP HZ3 H 1 6.872 0.020 . 1 . . . A 5 TRP HZ3 . 17970 1 38 . 1 1 6 6 TRP HH2 H 1 6.613 0.020 . 1 . . . A 5 TRP HH2 . 17970 1 39 . 1 1 7 7 LEU H H 1 8.630 0.020 . 1 . . . A 6 LEU H . 17970 1 40 . 1 1 7 7 LEU HA H 1 4.386 0.020 . 1 . . . A 6 LEU HA . 17970 1 41 . 1 1 7 7 LEU HB2 H 1 1.342 0.020 . 1 . . . A 6 LEU HB2 . 17970 1 42 . 1 1 7 7 LEU HB3 H 1 1.342 0.020 . 1 . . . A 6 LEU HB3 . 17970 1 43 . 1 1 7 7 LEU HG H 1 1.171 0.020 . 1 . . . A 6 LEU HG . 17970 1 44 . 1 1 7 7 LEU HD11 H 1 0.605 0.020 . 2 . . . A 6 LEU HD11 . 17970 1 45 . 1 1 7 7 LEU HD12 H 1 0.605 0.020 . 2 . . . A 6 LEU HD12 . 17970 1 46 . 1 1 7 7 LEU HD13 H 1 0.605 0.020 . 2 . . . A 6 LEU HD13 . 17970 1 47 . 1 1 7 7 LEU HD21 H 1 0.533 0.020 . 2 . . . A 6 LEU HD21 . 17970 1 48 . 1 1 7 7 LEU HD22 H 1 0.533 0.020 . 2 . . . A 6 LEU HD22 . 17970 1 49 . 1 1 7 7 LEU HD23 H 1 0.533 0.020 . 2 . . . A 6 LEU HD23 . 17970 1 50 . 1 1 8 8 CYS H H 1 8.463 0.020 . 1 . . . A 7 CYS H . 17970 1 51 . 1 1 8 8 CYS HA H 1 4.486 0.020 . 1 . . . A 7 CYS HA . 17970 1 52 . 1 1 8 8 CYS HB2 H 1 2.931 0.020 . 2 . . . A 7 CYS HB2 . 17970 1 53 . 1 1 8 8 CYS HB3 H 1 2.509 0.020 . 2 . . . A 7 CYS HB3 . 17970 1 54 . 1 1 9 9 ASN H H 1 8.955 0.020 . 1 . . . A 8 ASN H . 17970 1 55 . 1 1 9 9 ASN HA H 1 4.375 0.020 . 1 . . . A 8 ASN HA . 17970 1 56 . 1 1 9 9 ASN HB2 H 1 2.698 0.020 . 2 . . . A 8 ASN HB2 . 17970 1 57 . 1 1 9 9 ASN HB3 H 1 2.571 0.020 . 2 . . . A 8 ASN HB3 . 17970 1 58 . 1 1 9 9 ASN HD21 H 1 6.717 0.020 . 1 . . . A 8 ASN HD21 . 17970 1 59 . 1 1 9 9 ASN HD22 H 1 7.454 0.020 . 1 . . . A 8 ASN HD22 . 17970 1 60 . 1 1 10 10 LYS H H 1 9.070 0.020 . 1 . . . A 9 LYS H . 17970 1 61 . 1 1 10 10 LYS HA H 1 4.245 0.020 . 1 . . . A 9 LYS HA . 17970 1 62 . 1 1 10 10 LYS HB2 H 1 1.768 0.020 . 1 . . . A 9 LYS HB2 . 17970 1 63 . 1 1 10 10 LYS HB3 H 1 1.768 0.020 . 1 . . . A 9 LYS HB3 . 17970 1 64 . 1 1 10 10 LYS HG2 H 1 1.234 0.020 . 1 . . . A 9 LYS HG2 . 17970 1 65 . 1 1 10 10 LYS HG3 H 1 1.234 0.020 . 1 . . . A 9 LYS HG3 . 17970 1 66 . 1 1 10 10 LYS HD2 H 1 1.538 0.020 . 2 . . . A 9 LYS HD2 . 17970 1 67 . 1 1 10 10 LYS HD3 H 1 1.437 0.020 . 2 . . . A 9 LYS HD3 . 17970 1 68 . 1 1 10 10 LYS HE2 H 1 2.794 0.020 . 1 . . . A 9 LYS HE2 . 17970 1 69 . 1 1 10 10 LYS HE3 H 1 2.794 0.020 . 1 . . . A 9 LYS HE3 . 17970 1 70 . 1 1 11 11 CYS H H 1 8.806 0.020 . 1 . . . A 10 CYS H . 17970 1 71 . 1 1 11 11 CYS HA H 1 4.070 0.020 . 1 . . . A 10 CYS HA . 17970 1 72 . 1 1 11 11 CYS HB2 H 1 3.030 0.020 . 2 . . . A 10 CYS HB2 . 17970 1 73 . 1 1 11 11 CYS HB3 H 1 2.391 0.020 . 2 . . . A 10 CYS HB3 . 17970 1 74 . 1 1 12 12 CYS H H 1 7.609 0.020 . 1 . . . A 11 CYS H . 17970 1 75 . 1 1 12 12 CYS HA H 1 3.975 0.020 . 1 . . . A 11 CYS HA . 17970 1 76 . 1 1 12 12 CYS HB2 H 1 3.037 0.020 . 2 . . . A 11 CYS HB2 . 17970 1 77 . 1 1 12 12 CYS HB3 H 1 3.001 0.020 . 2 . . . A 11 CYS HB3 . 17970 1 78 . 1 1 13 13 LEU H H 1 7.610 0.020 . 1 . . . A 12 LEU H . 17970 1 79 . 1 1 13 13 LEU HA H 1 3.971 0.020 . 1 . . . A 12 LEU HA . 17970 1 80 . 1 1 13 13 LEU HB2 H 1 1.346 0.020 . 1 . . . A 12 LEU HB2 . 17970 1 81 . 1 1 13 13 LEU HB3 H 1 1.346 0.020 . 1 . . . A 12 LEU HB3 . 17970 1 82 . 1 1 13 13 LEU HG H 1 1.251 0.020 . 1 . . . A 12 LEU HG . 17970 1 83 . 1 1 13 13 LEU HD11 H 1 0.756 0.020 . 2 . . . A 12 LEU HD11 . 17970 1 84 . 1 1 13 13 LEU HD12 H 1 0.756 0.020 . 2 . . . A 12 LEU HD12 . 17970 1 85 . 1 1 13 13 LEU HD13 H 1 0.756 0.020 . 2 . . . A 12 LEU HD13 . 17970 1 86 . 1 1 13 13 LEU HD21 H 1 0.641 0.020 . 2 . . . A 12 LEU HD21 . 17970 1 87 . 1 1 13 13 LEU HD22 H 1 0.641 0.020 . 2 . . . A 12 LEU HD22 . 17970 1 88 . 1 1 13 13 LEU HD23 H 1 0.641 0.020 . 2 . . . A 12 LEU HD23 . 17970 1 89 . 1 1 14 14 ASN H H 1 8.391 0.020 . 1 . . . A 13 ASN H . 17970 1 90 . 1 1 14 14 ASN HA H 1 4.551 0.020 . 1 . . . A 13 ASN HA . 17970 1 91 . 1 1 14 14 ASN HB2 H 1 2.349 0.020 . 2 . . . A 13 ASN HB2 . 17970 1 92 . 1 1 14 14 ASN HB3 H 1 2.254 0.020 . 2 . . . A 13 ASN HB3 . 17970 1 93 . 1 1 14 14 ASN HD21 H 1 6.588 0.020 . 1 . . . A 13 ASN HD21 . 17970 1 94 . 1 1 14 14 ASN HD22 H 1 7.124 0.020 . 1 . . . A 13 ASN HD22 . 17970 1 95 . 1 1 15 15 ASN H H 1 9.049 0.020 . 1 . . . A 14 ASN H . 17970 1 96 . 1 1 15 15 ASN HA H 1 4.226 0.020 . 1 . . . A 14 ASN HA . 17970 1 97 . 1 1 15 15 ASN HB2 H 1 1.232 0.020 . 2 . . . A 14 ASN HB2 . 17970 1 98 . 1 1 15 15 ASN HB3 H 1 0.182 0.020 . 2 . . . A 14 ASN HB3 . 17970 1 99 . 1 1 16 16 PHE H H 1 7.629 0.020 . 1 . . . A 15 PHE H . 17970 1 100 . 1 1 16 16 PHE HA H 1 4.319 0.020 . 1 . . . A 15 PHE HA . 17970 1 101 . 1 1 16 16 PHE HB2 H 1 2.959 0.020 . 2 . . . A 15 PHE HB2 . 17970 1 102 . 1 1 16 16 PHE HB3 H 1 2.697 0.020 . 2 . . . A 15 PHE HB3 . 17970 1 103 . 1 1 16 16 PHE HD1 H 1 7.109 0.020 . 1 . . . A 15 PHE HD1 . 17970 1 104 . 1 1 16 16 PHE HD2 H 1 7.109 0.020 . 1 . . . A 15 PHE HD2 . 17970 1 105 . 1 1 16 16 PHE HE1 H 1 7.043 0.020 . 1 . . . A 15 PHE HE1 . 17970 1 106 . 1 1 16 16 PHE HE2 H 1 7.043 0.020 . 1 . . . A 15 PHE HE2 . 17970 1 107 . 1 1 17 17 ARG H H 1 8.140 0.020 . 1 . . . A 16 ARG H . 17970 1 108 . 1 1 17 17 ARG HA H 1 3.972 0.020 . 1 . . . A 16 ARG HA . 17970 1 109 . 1 1 17 17 ARG HB2 H 1 1.505 0.020 . 2 . . . A 16 ARG HB2 . 17970 1 110 . 1 1 17 17 ARG HB3 H 1 1.413 0.020 . 2 . . . A 16 ARG HB3 . 17970 1 111 . 1 1 17 17 ARG HG2 H 1 0.920 0.020 . 2 . . . A 16 ARG HG2 . 17970 1 112 . 1 1 17 17 ARG HG3 H 1 0.772 0.020 . 2 . . . A 16 ARG HG3 . 17970 1 113 . 1 1 17 17 ARG HD2 H 1 2.789 0.020 . 1 . . . A 16 ARG HD2 . 17970 1 114 . 1 1 17 17 ARG HD3 H 1 2.789 0.020 . 1 . . . A 16 ARG HD3 . 17970 1 115 . 1 1 17 17 ARG HE H 1 7.075 0.020 . 1 . . . A 16 ARG HE . 17970 1 116 . 1 1 18 18 LYS H H 1 6.021 0.020 . 1 . . . A 17 LYS H . 17970 1 117 . 1 1 18 18 LYS HA H 1 4.007 0.020 . 1 . . . A 17 LYS HA . 17970 1 118 . 1 1 18 18 LYS HB2 H 1 1.799 0.020 . 2 . . . A 17 LYS HB2 . 17970 1 119 . 1 1 18 18 LYS HB3 H 1 1.566 0.020 . 2 . . . A 17 LYS HB3 . 17970 1 120 . 1 1 18 18 LYS HG2 H 1 1.105 0.020 . 1 . . . A 17 LYS HG2 . 17970 1 121 . 1 1 18 18 LYS HG3 H 1 1.105 0.020 . 1 . . . A 17 LYS HG3 . 17970 1 122 . 1 1 18 18 LYS HD2 H 1 1.523 0.020 . 1 . . . A 17 LYS HD2 . 17970 1 123 . 1 1 18 18 LYS HD3 H 1 1.523 0.020 . 1 . . . A 17 LYS HD3 . 17970 1 124 . 1 1 18 18 LYS HE2 H 1 2.758 0.020 . 1 . . . A 17 LYS HE2 . 17970 1 125 . 1 1 18 18 LYS HE3 H 1 2.758 0.020 . 1 . . . A 17 LYS HE3 . 17970 1 126 . 1 1 19 19 ARG H H 1 8.259 0.020 . 1 . . . A 18 ARG H . 17970 1 127 . 1 1 19 19 ARG HA H 1 4.170 0.020 . 1 . . . A 18 ARG HA . 17970 1 128 . 1 1 19 19 ARG HB2 H 1 2.092 0.020 . 2 . . . A 18 ARG HB2 . 17970 1 129 . 1 1 19 19 ARG HB3 H 1 2.013 0.020 . 2 . . . A 18 ARG HB3 . 17970 1 130 . 1 1 19 19 ARG HG2 H 1 1.838 0.020 . 2 . . . A 18 ARG HG2 . 17970 1 131 . 1 1 19 19 ARG HG3 H 1 1.789 0.020 . 2 . . . A 18 ARG HG3 . 17970 1 132 . 1 1 19 19 ARG HD2 H 1 3.402 0.020 . 2 . . . A 18 ARG HD2 . 17970 1 133 . 1 1 19 19 ARG HD3 H 1 3.338 0.020 . 2 . . . A 18 ARG HD3 . 17970 1 134 . 1 1 19 19 ARG HE H 1 7.288 0.020 . 1 . . . A 18 ARG HE . 17970 1 135 . 1 1 20 20 LEU H H 1 8.705 0.020 . 1 . . . A 19 LEU H . 17970 1 136 . 1 1 20 20 LEU HA H 1 4.146 0.020 . 1 . . . A 19 LEU HA . 17970 1 137 . 1 1 20 20 LEU HB2 H 1 1.527 0.020 . 1 . . . A 19 LEU HB2 . 17970 1 138 . 1 1 20 20 LEU HB3 H 1 1.527 0.020 . 1 . . . A 19 LEU HB3 . 17970 1 139 . 1 1 20 20 LEU HG H 1 1.328 0.020 . 1 . . . A 19 LEU HG . 17970 1 140 . 1 1 20 20 LEU HD11 H 1 0.774 0.020 . 2 . . . A 19 LEU HD11 . 17970 1 141 . 1 1 20 20 LEU HD12 H 1 0.774 0.020 . 2 . . . A 19 LEU HD12 . 17970 1 142 . 1 1 20 20 LEU HD13 H 1 0.774 0.020 . 2 . . . A 19 LEU HD13 . 17970 1 143 . 1 1 20 20 LEU HD21 H 1 0.634 0.020 . 2 . . . A 19 LEU HD21 . 17970 1 144 . 1 1 20 20 LEU HD22 H 1 0.634 0.020 . 2 . . . A 19 LEU HD22 . 17970 1 145 . 1 1 20 20 LEU HD23 H 1 0.634 0.020 . 2 . . . A 19 LEU HD23 . 17970 1 146 . 1 1 21 21 LYS H H 1 7.504 0.020 . 1 . . . A 20 LYS H . 17970 1 147 . 1 1 21 21 LYS HA H 1 4.959 0.020 . 1 . . . A 20 LYS HA . 17970 1 148 . 1 1 21 21 LYS HB2 H 1 1.415 0.020 . 1 . . . A 20 LYS HB2 . 17970 1 149 . 1 1 21 21 LYS HB3 H 1 1.415 0.020 . 1 . . . A 20 LYS HB3 . 17970 1 150 . 1 1 21 21 LYS HG2 H 1 1.173 0.020 . 1 . . . A 20 LYS HG2 . 17970 1 151 . 1 1 21 21 LYS HG3 H 1 1.173 0.020 . 1 . . . A 20 LYS HG3 . 17970 1 152 . 1 1 21 21 LYS HD2 H 1 1.233 0.020 . 1 . . . A 20 LYS HD2 . 17970 1 153 . 1 1 21 21 LYS HD3 H 1 1.233 0.020 . 1 . . . A 20 LYS HD3 . 17970 1 154 . 1 1 21 21 LYS HE2 H 1 2.536 0.020 . 1 . . . A 20 LYS HE2 . 17970 1 155 . 1 1 21 21 LYS HE3 H 1 2.536 0.020 . 1 . . . A 20 LYS HE3 . 17970 1 156 . 1 1 22 22 CYS H H 1 9.624 0.020 . 1 . . . A 21 CYS H . 17970 1 157 . 1 1 22 22 CYS HA H 1 3.943 0.020 . 1 . . . A 21 CYS HA . 17970 1 158 . 1 1 22 22 CYS HB2 H 1 3.067 0.020 . 2 . . . A 21 CYS HB2 . 17970 1 159 . 1 1 22 22 CYS HB3 H 1 2.967 0.020 . 2 . . . A 21 CYS HB3 . 17970 1 160 . 1 1 23 23 PHE H H 1 9.084 0.020 . 1 . . . A 22 PHE H . 17970 1 161 . 1 1 23 23 PHE HA H 1 3.959 0.020 . 1 . . . A 22 PHE HA . 17970 1 162 . 1 1 23 23 PHE HB2 H 1 2.907 0.020 . 2 . . . A 22 PHE HB2 . 17970 1 163 . 1 1 23 23 PHE HB3 H 1 2.468 0.020 . 2 . . . A 22 PHE HB3 . 17970 1 164 . 1 1 23 23 PHE HD1 H 1 6.829 0.020 . 1 . . . A 22 PHE HD1 . 17970 1 165 . 1 1 23 23 PHE HD2 H 1 6.829 0.020 . 1 . . . A 22 PHE HD2 . 17970 1 166 . 1 1 23 23 PHE HE1 H 1 7.066 0.020 . 1 . . . A 22 PHE HE1 . 17970 1 167 . 1 1 23 23 PHE HE2 H 1 7.066 0.020 . 1 . . . A 22 PHE HE2 . 17970 1 168 . 1 1 24 24 ARG H H 1 8.776 0.020 . 1 . . . A 23 ARG H . 17970 1 169 . 1 1 24 24 ARG HA H 1 4.048 0.020 . 1 . . . A 23 ARG HA . 17970 1 170 . 1 1 24 24 ARG HB2 H 1 2.036 0.020 . 2 . . . A 23 ARG HB2 . 17970 1 171 . 1 1 24 24 ARG HB3 H 1 1.471 0.020 . 2 . . . A 23 ARG HB3 . 17970 1 172 . 1 1 24 24 ARG HG2 H 1 1.364 0.020 . 2 . . . A 23 ARG HG2 . 17970 1 173 . 1 1 24 24 ARG HG3 H 1 1.323 0.020 . 2 . . . A 23 ARG HG3 . 17970 1 174 . 1 1 24 24 ARG HD2 H 1 3.138 0.020 . 2 . . . A 23 ARG HD2 . 17970 1 175 . 1 1 24 24 ARG HD3 H 1 2.986 0.020 . 2 . . . A 23 ARG HD3 . 17970 1 176 . 1 1 24 24 ARG HE H 1 7.232 0.020 . 1 . . . A 23 ARG HE . 17970 1 177 . 1 1 25 25 CYS H H 1 8.250 0.020 . 1 . . . A 24 CYS H . 17970 1 178 . 1 1 25 25 CYS HA H 1 4.725 0.020 . 1 . . . A 24 CYS HA . 17970 1 179 . 1 1 25 25 CYS HB2 H 1 3.036 0.020 . 2 . . . A 24 CYS HB2 . 17970 1 180 . 1 1 25 25 CYS HB3 H 1 2.398 0.020 . 2 . . . A 24 CYS HB3 . 17970 1 181 . 1 1 26 26 GLY H H 1 7.503 0.020 . 1 . . . A 25 GLY H . 17970 1 182 . 1 1 26 26 GLY HA2 H 1 4.017 0.020 . 2 . . . A 25 GLY HA2 . 17970 1 183 . 1 1 26 26 GLY HA3 H 1 3.611 0.020 . 2 . . . A 25 GLY HA3 . 17970 1 184 . 1 1 27 27 ALA H H 1 8.696 0.020 . 1 . . . A 26 ALA H . 17970 1 185 . 1 1 27 27 ALA HA H 1 4.088 0.020 . 1 . . . A 26 ALA HA . 17970 1 186 . 1 1 27 27 ALA HB1 H 1 1.409 0.020 . 1 . . . A 26 ALA HB1 . 17970 1 187 . 1 1 27 27 ALA HB2 H 1 1.409 0.020 . 1 . . . A 26 ALA HB2 . 17970 1 188 . 1 1 27 27 ALA HB3 H 1 1.409 0.020 . 1 . . . A 26 ALA HB3 . 17970 1 189 . 1 1 28 28 ASP H H 1 8.463 0.020 . 1 . . . A 27 ASP H . 17970 1 190 . 1 1 28 28 ASP HA H 1 4.398 0.020 . 1 . . . A 27 ASP HA . 17970 1 191 . 1 1 28 28 ASP HB2 H 1 2.376 0.020 . 2 . . . A 27 ASP HB2 . 17970 1 192 . 1 1 28 28 ASP HB3 H 1 2.242 0.020 . 2 . . . A 27 ASP HB3 . 17970 1 193 . 1 1 29 29 LYS H H 1 7.307 0.020 . 1 . . . A 28 LYS H . 17970 1 194 . 1 1 29 29 LYS HA H 1 2.508 0.020 . 1 . . . A 28 LYS HA . 17970 1 195 . 1 1 29 29 LYS HB2 H 1 0.481 0.020 . 1 . . . A 28 LYS HB2 . 17970 1 196 . 1 1 29 29 LYS HB3 H 1 0.481 0.020 . 1 . . . A 28 LYS HB3 . 17970 1 197 . 1 1 29 29 LYS HG2 H 1 0.138 0.020 . 2 . . . A 28 LYS HG2 . 17970 1 198 . 1 1 29 29 LYS HG3 H 1 -0.841 0.020 . 2 . . . A 28 LYS HG3 . 17970 1 199 . 1 1 29 29 LYS HD2 H 1 0.575 0.020 . 2 . . . A 28 LYS HD2 . 17970 1 200 . 1 1 29 29 LYS HD3 H 1 -0.228 0.020 . 2 . . . A 28 LYS HD3 . 17970 1 201 . 1 1 29 29 LYS HE2 H 1 2.035 0.020 . 2 . . . A 28 LYS HE2 . 17970 1 202 . 1 1 29 29 LYS HE3 H 1 0.350 0.020 . 2 . . . A 28 LYS HE3 . 17970 1 203 . 1 1 30 30 PHE H H 1 7.718 0.020 . 1 . . . A 29 PHE H . 17970 1 204 . 1 1 30 30 PHE HA H 1 4.298 0.020 . 1 . . . A 29 PHE HA . 17970 1 205 . 1 1 30 30 PHE HB2 H 1 2.912 0.020 . 2 . . . A 29 PHE HB2 . 17970 1 206 . 1 1 30 30 PHE HB3 H 1 2.779 0.020 . 2 . . . A 29 PHE HB3 . 17970 1 207 . 1 1 30 30 PHE HD1 H 1 7.066 0.020 . 1 . . . A 29 PHE HD1 . 17970 1 208 . 1 1 30 30 PHE HD2 H 1 7.066 0.020 . 1 . . . A 29 PHE HD2 . 17970 1 209 . 1 1 30 30 PHE HE1 H 1 7.116 0.020 . 1 . . . A 29 PHE HE1 . 17970 1 210 . 1 1 30 30 PHE HE2 H 1 7.116 0.020 . 1 . . . A 29 PHE HE2 . 17970 1 211 . 1 1 31 31 ASP H H 1 7.835 0.020 . 1 . . . A 30 ASP H . 17970 1 212 . 1 1 31 31 ASP HA H 1 4.287 0.020 . 1 . . . A 30 ASP HA . 17970 1 213 . 1 1 31 31 ASP HB2 H 1 2.370 0.020 . 1 . . . A 30 ASP HB2 . 17970 1 214 . 1 1 31 31 ASP HB3 H 1 2.370 0.020 . 1 . . . A 30 ASP HB3 . 17970 1 stop_ save_