################################### # 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 25939 _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 DQF-COSY' . . . 25939 1 2 '2D 1H-1H TOCSY' . . . 25939 1 3 '2D 1H-1H NOESY' . . . 25939 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 ASN HA H 1 4.459 0.020 . 1 . . . A 1 ASN HA . 25939 1 2 . 1 1 1 1 ASN HB2 H 1 2.905 0.020 . 1 . . . A 1 ASN HB2 . 25939 1 3 . 1 1 1 1 ASN HB3 H 1 3.032 0.020 . 1 . . . A 1 ASN HB3 . 25939 1 4 . 1 1 1 1 ASN HD21 H 1 7.758 0.020 . 1 . . . A 1 ASN HD21 . 25939 1 5 . 1 1 1 1 ASN HD22 H 1 7.078 0.020 . 1 . . . A 1 ASN HD22 . 25939 1 6 . 1 1 2 2 CYS H H 1 8.573 0.020 . 1 . . . A 2 CYS H . 25939 1 7 . 1 1 2 2 CYS HA H 1 4.909 0.020 . 1 . . . A 2 CYS HA . 25939 1 8 . 1 1 2 2 CYS HB2 H 1 3.040 0.020 . 1 . . . A 2 CYS HB2 . 25939 1 9 . 1 1 2 2 CYS HB3 H 1 3.164 0.020 . 1 . . . A 2 CYS HB3 . 25939 1 10 . 1 1 3 3 ALA H H 1 8.993 0.020 . 1 . . . A 3 ALA H . 25939 1 11 . 1 1 3 3 ALA HA H 1 4.449 0.020 . 1 . . . A 3 ALA HA . 25939 1 12 . 1 1 3 3 ALA HB1 H 1 1.267 0.020 . 1 . . . A 3 ALA HB1 . 25939 1 13 . 1 1 3 3 ALA HB2 H 1 1.267 0.020 . 1 . . . A 3 ALA HB2 . 25939 1 14 . 1 1 3 3 ALA HB3 H 1 1.267 0.020 . 1 . . . A 3 ALA HB3 . 25939 1 15 . 1 1 4 4 LYS H H 1 8.210 0.020 . 1 . . . A 4 LYS H . 25939 1 16 . 1 1 4 4 LYS HA H 1 4.082 0.020 . 1 . . . A 4 LYS HA . 25939 1 17 . 1 1 4 4 LYS HB2 H 1 1.496 0.020 . 1 . . . A 4 LYS HB2 . 25939 1 18 . 1 1 4 4 LYS HB3 H 1 1.414 0.020 . 1 . . . A 4 LYS HB3 . 25939 1 19 . 1 1 4 4 LYS HG2 H 1 1.9544 0.020 . 2 . . . A 4 LYS HG2 . 25939 1 20 . 1 1 4 4 LYS HG3 H 1 1.954 0.020 . 2 . . . A 4 LYS HG3 . 25939 1 21 . 1 1 4 4 LYS HD2 H 1 1.576 0.020 . 2 . . . A 4 LYS HD2 . 25939 1 22 . 1 1 4 4 LYS HD3 H 1 1.576 0.020 . 2 . . . A 4 LYS HD3 . 25939 1 23 . 1 1 4 4 LYS HE2 H 1 3.051 0.020 . 2 . . . A 4 LYS HE2 . 25939 1 24 . 1 1 4 4 LYS HE3 H 1 3.051 0.020 . 2 . . . A 4 LYS HE3 . 25939 1 25 . 1 1 5 5 GLU H H 1 8.369 0.020 . 1 . . . A 5 GLU H . 25939 1 26 . 1 1 5 5 GLU HA H 1 3.512 0.020 . 1 . . . A 5 GLU HA . 25939 1 27 . 1 1 5 5 GLU HB2 H 1 1.910 0.020 . 2 . . . A 5 GLU HB2 . 25939 1 28 . 1 1 5 5 GLU HB3 H 1 1.910 0.020 . 2 . . . A 5 GLU HB3 . 25939 1 29 . 1 1 5 5 GLU HG2 H 1 2.197 0.020 . 1 . . . A 5 GLU HG2 . 25939 1 30 . 1 1 5 5 GLU HG3 H 1 2.315 0.020 . 1 . . . A 5 GLU HG3 . 25939 1 31 . 1 1 6 6 GLY H H 1 9.070 0.020 . 1 . . . A 6 GLY H . 25939 1 32 . 1 1 6 6 GLY HA2 H 1 3.574 0.020 . 1 . . . A 6 GLY HA2 . 25939 1 33 . 1 1 6 6 GLY HA3 H 1 4.226 0.020 . 1 . . . A 6 GLY HA3 . 25939 1 34 . 1 1 7 7 GLU H H 1 8.145 0.020 . 1 . . . A 7 GLU H . 25939 1 35 . 1 1 7 7 GLU HA H 1 4.651 0.020 . 1 . . . A 7 GLU HA . 25939 1 36 . 1 1 7 7 GLU HB2 H 1 2.065 0.020 . 2 . . . A 7 GLU HB2 . 25939 1 37 . 1 1 7 7 GLU HB3 H 1 2.065 0.020 . 2 . . . A 7 GLU HB3 . 25939 1 38 . 1 1 7 7 GLU HG2 H 1 2.172 0.020 . 1 . . . A 7 GLU HG2 . 25939 1 39 . 1 1 7 7 GLU HG3 H 1 2.311 0.020 . 1 . . . A 7 GLU HG3 . 25939 1 40 . 1 1 8 8 VAL H H 1 8.298 0.020 . 1 . . . A 8 VAL H . 25939 1 41 . 1 1 8 8 VAL HA H 1 4.289 0.020 . 1 . . . A 8 VAL HA . 25939 1 42 . 1 1 8 8 VAL HB H 1 1.915 0.020 . 1 . . . A 8 VAL HB . 25939 1 43 . 1 1 8 8 VAL HG11 H 1 0.914 0.020 . 2 . . . A 8 VAL HG11 . 25939 1 44 . 1 1 8 8 VAL HG12 H 1 0.914 0.020 . 2 . . . A 8 VAL HG12 . 25939 1 45 . 1 1 8 8 VAL HG13 H 1 0.914 0.020 . 2 . . . A 8 VAL HG13 . 25939 1 46 . 1 1 8 8 VAL HG21 H 1 0.875 0.020 . 2 . . . A 8 VAL HG21 . 25939 1 47 . 1 1 8 8 VAL HG22 H 1 0.875 0.020 . 2 . . . A 8 VAL HG22 . 25939 1 48 . 1 1 8 8 VAL HG23 H 1 0.875 0.020 . 2 . . . A 8 VAL HG23 . 25939 1 49 . 1 1 9 9 CYS H H 1 7.986 0.020 . 1 . . . A 9 CYS H . 25939 1 50 . 1 1 9 9 CYS HA H 1 5.126 0.020 . 1 . . . A 9 CYS HA . 25939 1 51 . 1 1 9 9 CYS HB2 H 1 3.302 0.020 . 1 . . . A 9 CYS HB2 . 25939 1 52 . 1 1 9 9 CYS HB3 H 1 3.364 0.020 . 1 . . . A 9 CYS HB3 . 25939 1 53 . 1 1 10 10 GLY H H 1 7.985 0.020 . 1 . . . A 10 GLY H . 25939 1 54 . 1 1 10 10 GLY HA2 H 1 3.790 0.020 . 1 . . . A 10 GLY HA2 . 25939 1 55 . 1 1 10 10 GLY HA3 H 1 4.077 0.020 . 1 . . . A 10 GLY HA3 . 25939 1 56 . 1 1 11 11 TRP H H 1 8.606 0.020 . 1 . . . A 11 TRP H . 25939 1 57 . 1 1 11 11 TRP HA H 1 4.359 0.020 . 1 . . . A 11 TRP HA . 25939 1 58 . 1 1 11 11 TRP HB2 H 1 3.230 0.020 . 1 . . . A 11 TRP HB2 . 25939 1 59 . 1 1 11 11 TRP HB3 H 1 3.310 0.020 . 1 . . . A 11 TRP HB3 . 25939 1 60 . 1 1 11 11 TRP HD1 H 1 7.260 0.020 . 1 . . . A 11 TRP HD1 . 25939 1 61 . 1 1 11 11 TRP HE1 H 1 10.130 0.020 . 1 . . . A 11 TRP HE1 . 25939 1 62 . 1 1 11 11 TRP HE3 H 1 7.554 0.020 . 1 . . . A 11 TRP HE3 . 25939 1 63 . 1 1 11 11 TRP HZ2 H 1 7.421 0.020 . 1 . . . A 11 TRP HZ2 . 25939 1 64 . 1 1 11 11 TRP HZ3 H 1 7.146 0.020 . 1 . . . A 11 TRP HZ3 . 25939 1 65 . 1 1 11 11 TRP HH2 H 1 7.243 0.020 . 1 . . . A 11 TRP HH2 . 25939 1 66 . 1 1 12 12 GLY H H 1 8.415 0.020 . 1 . . . A 12 GLY H . 25939 1 67 . 1 1 12 12 GLY HA2 H 1 3.713 0.020 . 1 . . . A 12 GLY HA2 . 25939 1 68 . 1 1 12 12 GLY HA3 H 1 3.940 0.020 . 1 . . . A 12 GLY HA3 . 25939 1 69 . 1 1 13 13 SER H H 1 7.700 0.020 . 1 . . . A 13 SER H . 25939 1 70 . 1 1 13 13 SER HA H 1 4.659 0.020 . 1 . . . A 13 SER HA . 25939 1 71 . 1 1 13 13 SER HB2 H 1 3.657 0.020 . 1 . . . A 13 SER HB2 . 25939 1 72 . 1 1 13 13 SER HB3 H 1 3.779 0.020 . 1 . . . A 13 SER HB3 . 25939 1 73 . 1 1 14 14 LYS H H 1 8.553 0.020 . 1 . . . A 14 LYS H . 25939 1 74 . 1 1 14 14 LYS HA H 1 4.556 0.020 . 1 . . . A 14 LYS HA . 25939 1 75 . 1 1 14 14 LYS HB2 H 1 1.721 0.020 . 1 . . . A 14 LYS HB2 . 25939 1 76 . 1 1 14 14 LYS HB3 H 1 1.860 0.020 . 1 . . . A 14 LYS HB3 . 25939 1 77 . 1 1 14 14 LYS HG2 H 1 1.470 0.020 . 2 . . . A 14 LYS HG2 . 25939 1 78 . 1 1 14 14 LYS HG3 H 1 1.470 0.020 . 2 . . . A 14 LYS HG3 . 25939 1 79 . 1 1 15 15 CYS H H 1 9.151 0.020 . 1 . . . A 15 CYS H . 25939 1 80 . 1 1 15 15 CYS HA H 1 5.110 0.020 . 1 . . . A 15 CYS HA . 25939 1 81 . 1 1 15 15 CYS HB2 H 1 2.510 0.020 . 1 . . . A 15 CYS HB2 . 25939 1 82 . 1 1 15 15 CYS HB3 H 1 3.170 0.020 . 1 . . . A 15 CYS HB3 . 25939 1 83 . 1 1 16 16 CYS H H 1 9.560 0.020 . 1 . . . A 16 CYS H . 25939 1 84 . 1 1 16 16 CYS HA H 1 4.536 0.020 . 1 . . . A 16 CYS HA . 25939 1 85 . 1 1 16 16 CYS HB2 H 1 2.578 0.020 . 1 . . . A 16 CYS HB2 . 25939 1 86 . 1 1 16 16 CYS HB3 H 1 3.421 0.020 . 1 . . . A 16 CYS HB3 . 25939 1 87 . 1 1 17 17 HIS H H 1 8.575 0.020 . 1 . . . A 17 HIS H . 25939 1 88 . 1 1 17 17 HIS HA H 1 4.361 0.020 . 1 . . . A 17 HIS HA . 25939 1 89 . 1 1 17 17 HIS HB2 H 1 3.150 0.020 . 1 . . . A 17 HIS HB2 . 25939 1 90 . 1 1 17 17 HIS HB3 H 1 3.304 0.020 . 1 . . . A 17 HIS HB3 . 25939 1 91 . 1 1 17 17 HIS HD2 H 1 7.690 0.020 . 1 . . . A 17 HIS HD2 . 25939 1 92 . 1 1 17 17 HIS HE1 H 1 7.381 0.020 . 1 . . . A 17 HIS HE1 . 25939 1 93 . 1 1 18 18 GLY H H 1 8.731 0.020 . 1 . . . A 18 GLY H . 25939 1 94 . 1 1 18 18 GLY HA2 H 1 3.514 0.020 . 1 . . . A 18 GLY HA2 . 25939 1 95 . 1 1 18 18 GLY HA3 H 1 4.218 0.020 . 1 . . . A 18 GLY HA3 . 25939 1 96 . 1 1 19 19 LEU H H 1 7.693 0.020 . 1 . . . A 19 LEU H . 25939 1 97 . 1 1 19 19 LEU HA H 1 5.064 0.020 . 1 . . . A 19 LEU HA . 25939 1 98 . 1 1 19 19 LEU HB2 H 1 1.249 0.020 . 1 . . . A 19 LEU HB2 . 25939 1 99 . 1 1 19 19 LEU HB3 H 1 2.124 0.020 . 1 . . . A 19 LEU HB3 . 25939 1 100 . 1 1 19 19 LEU HG H 1 1.370 0.020 . 1 . . . A 19 LEU HG . 25939 1 101 . 1 1 19 19 LEU HD11 H 1 0.848 0.020 . 2 . . . A 19 LEU HD11 . 25939 1 102 . 1 1 19 19 LEU HD12 H 1 0.848 0.020 . 2 . . . A 19 LEU HD12 . 25939 1 103 . 1 1 19 19 LEU HD13 H 1 0.848 0.020 . 2 . . . A 19 LEU HD13 . 25939 1 104 . 1 1 19 19 LEU HD21 H 1 0.675 0.020 . 2 . . . A 19 LEU HD21 . 25939 1 105 . 1 1 19 19 LEU HD22 H 1 0.675 0.020 . 2 . . . A 19 LEU HD22 . 25939 1 106 . 1 1 19 19 LEU HD23 H 1 0.675 0.020 . 2 . . . A 19 LEU HD23 . 25939 1 107 . 1 1 20 20 ASP H H 1 9.411 0.020 . 1 . . . A 20 ASP H . 25939 1 108 . 1 1 20 20 ASP HA H 1 4.874 0.020 . 1 . . . A 20 ASP HA . 25939 1 109 . 1 1 20 20 ASP HB2 H 1 2.499 0.020 . 2 . . . A 20 ASP HB2 . 25939 1 110 . 1 1 20 20 ASP HB3 H 1 2.499 0.020 . 2 . . . A 20 ASP HB3 . 25939 1 111 . 1 1 21 21 CYS H H 1 8.705 0.020 . 1 . . . A 21 CYS H . 25939 1 112 . 1 1 21 21 CYS HA H 1 5.292 0.020 . 1 . . . A 21 CYS HA . 25939 1 113 . 1 1 21 21 CYS HB2 H 1 3.098 0.020 . 1 . . . A 21 CYS HB2 . 25939 1 114 . 1 1 21 21 CYS HB3 H 1 3.242 0.020 . 1 . . . A 21 CYS HB3 . 25939 1 115 . 1 1 22 22 PRO HA H 1 4.440 0.020 . 1 . . . A 22 PRO HA . 25939 1 116 . 1 1 22 22 PRO HB2 H 1 2.226 0.020 . 2 . . . A 22 PRO HB2 . 25939 1 117 . 1 1 22 22 PRO HB3 H 1 2.226 0.020 . 2 . . . A 22 PRO HB3 . 25939 1 118 . 1 1 22 22 PRO HG2 H 1 1.937 0.020 . 1 . . . A 22 PRO HG2 . 25939 1 119 . 1 1 22 22 PRO HG3 H 1 2.053 0.020 . 1 . . . A 22 PRO HG3 . 25939 1 120 . 1 1 22 22 PRO HD2 H 1 4.012 0.020 . 1 . . . A 22 PRO HD2 . 25939 1 121 . 1 1 22 22 PRO HD3 H 1 3.595 0.020 . 1 . . . A 22 PRO HD3 . 25939 1 122 . 1 1 23 23 LEU H H 1 8.152 0.020 . 1 . . . A 23 LEU H . 25939 1 123 . 1 1 23 23 LEU HA H 1 4.275 0.020 . 1 . . . A 23 LEU HA . 25939 1 124 . 1 1 23 23 LEU HB2 H 1 1.575 0.020 . 2 . . . A 23 LEU HB2 . 25939 1 125 . 1 1 23 23 LEU HB3 H 1 1.575 0.020 . 2 . . . A 23 LEU HB3 . 25939 1 126 . 1 1 23 23 LEU HG H 1 1.575 0.020 . 1 . . . A 23 LEU HG . 25939 1 127 . 1 1 23 23 LEU HD11 H 1 0.846 0.020 . 2 . . . A 23 LEU HD11 . 25939 1 128 . 1 1 23 23 LEU HD12 H 1 0.846 0.020 . 2 . . . A 23 LEU HD12 . 25939 1 129 . 1 1 23 23 LEU HD13 H 1 0.846 0.020 . 2 . . . A 23 LEU HD13 . 25939 1 130 . 1 1 23 23 LEU HD21 H 1 0.904 0.020 . 2 . . . A 23 LEU HD21 . 25939 1 131 . 1 1 23 23 LEU HD22 H 1 0.904 0.020 . 2 . . . A 23 LEU HD22 . 25939 1 132 . 1 1 23 23 LEU HD23 H 1 0.904 0.020 . 2 . . . A 23 LEU HD23 . 25939 1 133 . 1 1 24 24 ALA H H 1 7.469 0.020 . 1 . . . A 24 ALA H . 25939 1 134 . 1 1 24 24 ALA HA H 1 4.388 0.020 . 1 . . . A 24 ALA HA . 25939 1 135 . 1 1 24 24 ALA HB1 H 1 1.199 0.020 . 1 . . . A 24 ALA HB1 . 25939 1 136 . 1 1 24 24 ALA HB2 H 1 1.199 0.020 . 1 . . . A 24 ALA HB2 . 25939 1 137 . 1 1 24 24 ALA HB3 H 1 1.199 0.020 . 1 . . . A 24 ALA HB3 . 25939 1 138 . 1 1 25 25 PHE H H 1 8.430 0.020 . 1 . . . A 25 PHE H . 25939 1 139 . 1 1 25 25 PHE HA H 1 4.390 0.020 . 1 . . . A 25 PHE HA . 25939 1 140 . 1 1 25 25 PHE HB2 H 1 3.100 0.020 . 1 . . . A 25 PHE HB2 . 25939 1 141 . 1 1 25 25 PHE HB3 H 1 3.221 0.020 . 1 . . . A 25 PHE HB3 . 25939 1 142 . 1 1 25 25 PHE HD1 H 1 7.355 0.020 . 3 . . . A 25 PHE HD1 . 25939 1 143 . 1 1 25 25 PHE HD2 H 1 7.355 0.020 . 3 . . . A 25 PHE HD2 . 25939 1 144 . 1 1 25 25 PHE HE1 H 1 7.413 0.020 . 3 . . . A 25 PHE HE1 . 25939 1 145 . 1 1 25 25 PHE HE2 H 1 7.413 0.020 . 3 . . . A 25 PHE HE2 . 25939 1 146 . 1 1 26 26 ILE H H 1 7.795 0.020 . 1 . . . A 26 ILE H . 25939 1 147 . 1 1 26 26 ILE HA H 1 4.287 0.020 . 1 . . . A 26 ILE HA . 25939 1 148 . 1 1 26 26 ILE HB H 1 1.760 0.020 . 1 . . . A 26 ILE HB . 25939 1 149 . 1 1 26 26 ILE HG12 H 1 1.360 0.020 . 2 . . . A 26 ILE HG12 . 25939 1 150 . 1 1 26 26 ILE HG13 H 1 1.360 0.020 . 2 . . . A 26 ILE HG13 . 25939 1 151 . 1 1 26 26 ILE HG21 H 1 0.848 0.020 . 1 . . . A 26 ILE HG21 . 25939 1 152 . 1 1 26 26 ILE HG22 H 1 0.848 0.020 . 1 . . . A 26 ILE HG22 . 25939 1 153 . 1 1 26 26 ILE HG23 H 1 0.848 0.020 . 1 . . . A 26 ILE HG23 . 25939 1 154 . 1 1 26 26 ILE HD11 H 1 0.603 0.020 . 1 . . . A 26 ILE HD11 . 25939 1 155 . 1 1 26 26 ILE HD12 H 1 0.603 0.020 . 1 . . . A 26 ILE HD12 . 25939 1 156 . 1 1 26 26 ILE HD13 H 1 0.603 0.020 . 1 . . . A 26 ILE HD13 . 25939 1 157 . 1 1 27 27 PRO HA H 1 4.339 0.020 . 1 . . . A 27 PRO HA . 25939 1 158 . 1 1 27 27 PRO HB2 H 1 1.150 0.020 . 2 . . . A 27 PRO HB2 . 25939 1 159 . 1 1 27 27 PRO HB3 H 1 1.150 0.020 . 2 . . . A 27 PRO HB3 . 25939 1 160 . 1 1 27 27 PRO HG2 H 1 1.910 0.020 . 1 . . . A 27 PRO HG2 . 25939 1 161 . 1 1 27 27 PRO HG3 H 1 2.070 0.020 . 1 . . . A 27 PRO HG3 . 25939 1 162 . 1 1 27 27 PRO HD2 H 1 3.610 0.020 . 1 . . . A 27 PRO HD2 . 25939 1 163 . 1 1 27 27 PRO HD3 H 1 3.543 0.020 . 1 . . . A 27 PRO HD3 . 25939 1 164 . 1 1 28 28 TYR H H 1 7.360 0.020 . 1 . . . A 28 TYR H . 25939 1 165 . 1 1 28 28 TYR HA H 1 5.060 0.020 . 1 . . . A 28 TYR HA . 25939 1 166 . 1 1 28 28 TYR HB2 H 1 2.465 0.020 . 1 . . . A 28 TYR HB2 . 25939 1 167 . 1 1 28 28 TYR HB3 H 1 2.636 0.020 . 1 . . . A 28 TYR HB3 . 25939 1 168 . 1 1 28 28 TYR HD1 H 1 6.904 0.020 . 3 . . . A 28 TYR HD1 . 25939 1 169 . 1 1 28 28 TYR HD2 H 1 6.904 0.020 . 3 . . . A 28 TYR HD2 . 25939 1 170 . 1 1 28 28 TYR HE1 H 1 6.702 0.020 . 3 . . . A 28 TYR HE1 . 25939 1 171 . 1 1 28 28 TYR HE2 H 1 6.702 0.020 . 3 . . . A 28 TYR HE2 . 25939 1 172 . 1 1 29 29 CYS H H 1 8.706 0.020 . 1 . . . A 29 CYS H . 25939 1 173 . 1 1 29 29 CYS HA H 1 4.761 0.020 . 1 . . . A 29 CYS HA . 25939 1 174 . 1 1 29 29 CYS HB2 H 1 2.658 0.020 . 1 . . . A 29 CYS HB2 . 25939 1 175 . 1 1 29 29 CYS HB3 H 1 3.304 0.020 . 1 . . . A 29 CYS HB3 . 25939 1 176 . 1 1 30 30 GLU H H 1 9.310 0.020 . 1 . . . A 30 GLU H . 25939 1 177 . 1 1 30 30 GLU HA H 1 5.044 0.020 . 1 . . . A 30 GLU HA . 25939 1 178 . 1 1 30 30 GLU HB2 H 1 2.039 0.020 . 1 . . . A 30 GLU HB2 . 25939 1 179 . 1 1 30 30 GLU HB3 H 1 2.127 0.020 . 1 . . . A 30 GLU HB3 . 25939 1 180 . 1 1 30 30 GLU HG2 H 1 2.502 0.020 . 1 . . . A 30 GLU HG2 . 25939 1 181 . 1 1 30 30 GLU HG3 H 1 2.556 0.020 . 1 . . . A 30 GLU HG3 . 25939 1 182 . 1 1 31 31 LYS H H 1 8.862 0.020 . 1 . . . A 31 LYS H . 25939 1 183 . 1 1 31 31 LYS HA H 1 4.288 0.020 . 1 . . . A 31 LYS HA . 25939 1 184 . 1 1 31 31 LYS HB2 H 1 1.674 0.020 . 1 . . . A 31 LYS HB2 . 25939 1 185 . 1 1 31 31 LYS HB3 H 1 1.774 0.020 . 1 . . . A 31 LYS HB3 . 25939 1 186 . 1 1 31 31 LYS HG2 H 1 1.340 0.020 . 1 . . . A 31 LYS HG2 . 25939 1 187 . 1 1 31 31 LYS HG3 H 1 1.450 0.020 . 1 . . . A 31 LYS HG3 . 25939 1 188 . 1 1 32 32 TYR H H 1 8.231 0.020 . 1 . . . A 32 TYR H . 25939 1 189 . 1 1 32 32 TYR HA H 1 4.534 0.020 . 1 . . . A 32 TYR HA . 25939 1 190 . 1 1 32 32 TYR HB2 H 1 2.821 0.020 . 1 . . . A 32 TYR HB2 . 25939 1 191 . 1 1 32 32 TYR HB3 H 1 2.886 0.020 . 1 . . . A 32 TYR HB3 . 25939 1 192 . 1 1 32 32 TYR HD1 H 1 7.010 0.020 . 3 . . . A 32 TYR HD1 . 25939 1 193 . 1 1 32 32 TYR HD2 H 1 7.010 0.020 . 3 . . . A 32 TYR HD2 . 25939 1 194 . 1 1 32 32 TYR HE1 H 1 6.690 0.020 . 3 . . . A 32 TYR HE1 . 25939 1 195 . 1 1 32 32 TYR HE2 H 1 6.690 0.020 . 3 . . . A 32 TYR HE2 . 25939 1 196 . 1 1 33 33 ARG H H 1 8.355 0.020 . 1 . . . A 33 ARG H . 25939 1 197 . 1 1 33 33 ARG HA H 1 4.156 0.020 . 1 . . . A 33 ARG HA . 25939 1 198 . 1 1 33 33 ARG HB2 H 1 1.533 0.020 . 1 . . . A 33 ARG HB2 . 25939 1 199 . 1 1 33 33 ARG HB3 H 1 1.608 0.020 . 1 . . . A 33 ARG HB3 . 25939 1 200 . 1 1 33 33 ARG HG2 H 1 1.767 0.020 . 1 . . . A 33 ARG HG2 . 25939 1 stop_ save_