################################### # 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 19519 _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 4 '2D 1H-1H TOCSY' 1 $sample_1 . 19519 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 SER H H 1 8.633 0.000 . . . . . A 2 SER H . 19519 1 2 . 1 1 2 2 SER HA H 1 4.519 0.000 . . . . . A 2 SER HA . 19519 1 3 . 1 1 2 2 SER HB2 H 1 3.847 0.000 . . . . . A 2 SER HB2 . 19519 1 4 . 1 1 2 2 SER HB3 H 1 3.847 0.000 . . . . . A 2 SER HB3 . 19519 1 5 . 1 1 3 3 ALA H H 1 8.380 0.001 . . . . . A 3 ALA H . 19519 1 6 . 1 1 3 3 ALA HA H 1 4.404 0.002 . . . . . A 3 ALA HA . 19519 1 7 . 1 1 3 3 ALA HB1 H 1 1.344 0.000 . . . . . A 3 ALA HB1 . 19519 1 8 . 1 1 3 3 ALA HB2 H 1 1.344 0.000 . . . . . A 3 ALA HB2 . 19519 1 9 . 1 1 3 3 ALA HB3 H 1 1.344 0.000 . . . . . A 3 ALA HB3 . 19519 1 10 . 1 1 4 4 PHE H H 1 8.061 0.000 . . . . . A 4 PHE H . 19519 1 11 . 1 1 4 4 PHE HA H 1 4.673 0.000 . . . . . A 4 PHE HA . 19519 1 12 . 1 1 4 4 PHE HB2 H 1 3.110 0.000 . . . . . A 4 PHE HB2 . 19519 1 13 . 1 1 4 4 PHE HB3 H 1 3.001 0.000 . . . . . A 4 PHE HB3 . 19519 1 14 . 1 1 4 4 PHE HD1 H 1 7.379 0.000 . . . . . A 4 PHE HD1 . 19519 1 15 . 1 1 4 4 PHE HD2 H 1 7.379 0.000 . . . . . A 4 PHE HD2 . 19519 1 16 . 1 1 4 4 PHE HE1 H 1 7.238 0.000 . . . . . A 4 PHE HE1 . 19519 1 17 . 1 1 4 4 PHE HE2 H 1 7.238 0.000 . . . . . A 4 PHE HE2 . 19519 1 18 . 1 1 5 5 CYS H H 1 8.165 0.000 . . . . . A 5 CYS H . 19519 1 19 . 1 1 5 5 CYS HA H 1 4.419 0.001 . . . . . A 5 CYS HA . 19519 1 20 . 1 1 5 5 CYS HB2 H 1 2.808 0.000 . . . . . A 5 CYS HB2 . 19519 1 21 . 1 1 5 5 CYS HB3 H 1 2.701 0.000 . . . . . A 5 CYS HB3 . 19519 1 22 . 1 1 6 6 ASN H H 1 8.697 0.002 . . . . . A 6 ASN H . 19519 1 23 . 1 1 6 6 ASN HA H 1 4.827 0.000 . . . . . A 6 ASN HA . 19519 1 24 . 1 1 6 6 ASN HB2 H 1 2.899 0.000 . . . . . A 6 ASN HB2 . 19519 1 25 . 1 1 6 6 ASN HB3 H 1 2.796 0.000 . . . . . A 6 ASN HB3 . 19519 1 26 . 1 1 6 6 ASN HD21 H 1 7.841 0.002 . . . . . A 6 ASN HD21 . 19519 1 27 . 1 1 6 6 ASN HD22 H 1 7.099 0.002 . . . . . A 6 ASN HD22 . 19519 1 28 . 1 1 7 7 LEU H H 1 8.841 0.000 . . . . . A 7 LEU H . 19519 1 29 . 1 1 7 7 LEU HA H 1 3.985 0.001 . . . . . A 7 LEU HA . 19519 1 30 . 1 1 7 7 LEU HB2 H 1 1.815 0.000 . . . . . A 7 LEU HB2 . 19519 1 31 . 1 1 7 7 LEU HB3 H 1 1.561 0.002 . . . . . A 7 LEU HB3 . 19519 1 32 . 1 1 7 7 LEU HG H 1 1.502 0.005 . . . . . A 7 LEU HG . 19519 1 33 . 1 1 7 7 LEU HD11 H 1 0.961 0.000 . . . . . A 7 LEU HD11 . 19519 1 34 . 1 1 7 7 LEU HD12 H 1 0.961 0.000 . . . . . A 7 LEU HD12 . 19519 1 35 . 1 1 7 7 LEU HD13 H 1 0.961 0.000 . . . . . A 7 LEU HD13 . 19519 1 36 . 1 1 8 8 ALA H H 1 8.350 0.002 . . . . . A 8 ALA H . 19519 1 37 . 1 1 8 8 ALA HA H 1 4.143 0.003 . . . . . A 8 ALA HA . 19519 1 38 . 1 1 8 8 ALA HB1 H 1 1.515 0.001 . . . . . A 8 ALA HB1 . 19519 1 39 . 1 1 8 8 ALA HB2 H 1 1.515 0.001 . . . . . A 8 ALA HB2 . 19519 1 40 . 1 1 8 8 ALA HB3 H 1 1.515 0.001 . . . . . A 8 ALA HB3 . 19519 1 41 . 1 1 9 9 ARG H H 1 8.000 0.000 . . . . . A 9 ARG H . 19519 1 42 . 1 1 9 9 ARG HA H 1 4.086 0.000 . . . . . A 9 ARG HA . 19519 1 43 . 1 1 9 9 ARG HB2 H 1 1.941 0.004 . . . . . A 9 ARG HB2 . 19519 1 44 . 1 1 9 9 ARG HB3 H 1 1.880 0.001 . . . . . A 9 ARG HB3 . 19519 1 45 . 1 1 9 9 ARG HG2 H 1 1.713 0.000 . . . . . A 9 ARG HG2 . 19519 1 46 . 1 1 9 9 ARG HG3 H 1 1.796 0.000 . . . . . A 9 ARG HG3 . 19519 1 47 . 1 1 9 9 ARG HD2 H 1 3.247 0.000 . . . . . A 9 ARG HD2 . 19519 1 48 . 1 1 9 9 ARG HD3 H 1 3.247 0.000 . . . . . A 9 ARG HD3 . 19519 1 49 . 1 1 9 9 ARG HE H 1 7.286 0.000 . . . . . A 9 ARG HE . 19519 1 50 . 1 1 10 10 CYS H H 1 8.723 0.000 . . . . . A 10 CYS H . 19519 1 51 . 1 1 10 10 CYS HA H 1 4.652 0.000 . . . . . A 10 CYS HA . 19519 1 52 . 1 1 10 10 CYS HB2 H 1 3.228 0.000 . . . . . A 10 CYS HB2 . 19519 1 53 . 1 1 10 10 CYS HB3 H 1 2.797 0.000 . . . . . A 10 CYS HB3 . 19519 1 54 . 1 1 11 11 GLU H H 1 9.141 0.000 . . . . . A 11 GLU H . 19519 1 55 . 1 1 11 11 GLU HA H 1 3.837 0.000 . . . . . A 11 GLU HA . 19519 1 56 . 1 1 11 11 GLU HB2 H 1 2.349 0.000 . . . . . A 11 GLU HB2 . 19519 1 57 . 1 1 11 11 GLU HB3 H 1 2.100 0.001 . . . . . A 11 GLU HB3 . 19519 1 58 . 1 1 11 11 GLU HG2 H 1 2.663 0.000 . . . . . A 11 GLU HG2 . 19519 1 59 . 1 1 11 11 GLU HG3 H 1 2.592 0.000 . . . . . A 11 GLU HG3 . 19519 1 60 . 1 1 12 12 LEU H H 1 7.836 0.002 . . . . . A 12 LEU H . 19519 1 61 . 1 1 12 12 LEU HA H 1 4.138 0.001 . . . . . A 12 LEU HA . 19519 1 62 . 1 1 12 12 LEU HB2 H 1 1.866 0.000 . . . . . A 12 LEU HB2 . 19519 1 63 . 1 1 12 12 LEU HB3 H 1 1.804 0.000 . . . . . A 12 LEU HB3 . 19519 1 64 . 1 1 12 12 LEU HG H 1 1.702 0.000 . . . . . A 12 LEU HG . 19519 1 65 . 1 1 12 12 LEU HD11 H 1 0.960 0.002 . . . . . A 12 LEU HD11 . 19519 1 66 . 1 1 12 12 LEU HD12 H 1 0.960 0.002 . . . . . A 12 LEU HD12 . 19519 1 67 . 1 1 12 12 LEU HD13 H 1 0.960 0.002 . . . . . A 12 LEU HD13 . 19519 1 68 . 1 1 13 13 SER H H 1 8.436 0.001 . . . . . A 13 SER H . 19519 1 69 . 1 1 13 13 SER HA H 1 4.297 0.000 . . . . . A 13 SER HA . 19519 1 70 . 1 1 13 13 SER HB2 H 1 4.045 0.002 . . . . . A 13 SER HB2 . 19519 1 71 . 1 1 13 13 SER HB3 H 1 4.045 0.002 . . . . . A 13 SER HB3 . 19519 1 72 . 1 1 14 14 CYS H H 1 8.286 0.000 . . . . . A 14 CYS H . 19519 1 73 . 1 1 14 14 CYS HA H 1 4.522 0.000 . . . . . A 14 CYS HA . 19519 1 74 . 1 1 14 14 CYS HB2 H 1 2.408 0.000 . . . . . A 14 CYS HB2 . 19519 1 75 . 1 1 14 14 CYS HB3 H 1 2.408 0.000 . . . . . A 14 CYS HB3 . 19519 1 76 . 1 1 15 15 ARG H H 1 8.371 0.000 . . . . . A 15 ARG H . 19519 1 77 . 1 1 15 15 ARG HA H 1 4.483 0.000 . . . . . A 15 ARG HA . 19519 1 78 . 1 1 15 15 ARG HB2 H 1 2.258 0.000 . . . . . A 15 ARG HB2 . 19519 1 79 . 1 1 15 15 ARG HB3 H 1 2.097 0.000 . . . . . A 15 ARG HB3 . 19519 1 80 . 1 1 15 15 ARG HG2 H 1 1.877 0.000 . . . . . A 15 ARG HG2 . 19519 1 81 . 1 1 15 15 ARG HG3 H 1 1.877 0.000 . . . . . A 15 ARG HG3 . 19519 1 82 . 1 1 15 15 ARG HD2 H 1 3.304 0.001 . . . . . A 15 ARG HD2 . 19519 1 83 . 1 1 15 15 ARG HD3 H 1 3.304 0.001 . . . . . A 15 ARG HD3 . 19519 1 84 . 1 1 15 15 ARG HE H 1 7.255 0.002 . . . . . A 15 ARG HE . 19519 1 85 . 1 1 16 16 SER H H 1 7.742 0.001 . . . . . A 16 SER H . 19519 1 86 . 1 1 16 16 SER HA H 1 4.401 0.001 . . . . . A 16 SER HA . 19519 1 87 . 1 1 16 16 SER HB2 H 1 4.092 0.002 . . . . . A 16 SER HB2 . 19519 1 88 . 1 1 16 16 SER HB3 H 1 4.092 0.002 . . . . . A 16 SER HB3 . 19519 1 89 . 1 1 17 17 LEU H H 1 7.414 0.000 . . . . . A 17 LEU H . 19519 1 90 . 1 1 17 17 LEU HA H 1 4.577 0.000 . . . . . A 17 LEU HA . 19519 1 91 . 1 1 17 17 LEU HB2 H 1 1.862 0.000 . . . . . A 17 LEU HB2 . 19519 1 92 . 1 1 17 17 LEU HB3 H 1 1.862 0.000 . . . . . A 17 LEU HB3 . 19519 1 93 . 1 1 17 17 LEU HG H 1 1.773 0.001 . . . . . A 17 LEU HG . 19519 1 94 . 1 1 17 17 LEU HD11 H 1 1.011 0.000 . . . . . A 17 LEU HD11 . 19519 1 95 . 1 1 17 17 LEU HD12 H 1 1.011 0.000 . . . . . A 17 LEU HD12 . 19519 1 96 . 1 1 17 17 LEU HD13 H 1 1.011 0.000 . . . . . A 17 LEU HD13 . 19519 1 97 . 1 1 17 17 LEU HD21 H 1 0.896 0.002 . . . . . A 17 LEU HD21 . 19519 1 98 . 1 1 17 17 LEU HD22 H 1 0.896 0.002 . . . . . A 17 LEU HD22 . 19519 1 99 . 1 1 17 17 LEU HD23 H 1 0.896 0.002 . . . . . A 17 LEU HD23 . 19519 1 100 . 1 1 18 18 GLY H H 1 8.171 0.000 . . . . . A 18 GLY H . 19519 1 101 . 1 1 18 18 GLY HA2 H 1 3.997 0.000 . . . . . A 18 GLY HA2 . 19519 1 102 . 1 1 18 18 GLY HA3 H 1 4.171 0.000 . . . . . A 18 GLY HA3 . 19519 1 103 . 1 1 19 19 LEU H H 1 7.458 0.000 . . . . . A 19 LEU H . 19519 1 104 . 1 1 19 19 LEU HA H 1 4.674 0.000 . . . . . A 19 LEU HA . 19519 1 105 . 1 1 19 19 LEU HB2 H 1 1.448 0.001 . . . . . A 19 LEU HB2 . 19519 1 106 . 1 1 19 19 LEU HB3 H 1 1.448 0.001 . . . . . A 19 LEU HB3 . 19519 1 107 . 1 1 19 19 LEU HG H 1 1.284 0.002 . . . . . A 19 LEU HG . 19519 1 108 . 1 1 19 19 LEU HD11 H 1 0.748 0.002 . . . . . A 19 LEU HD11 . 19519 1 109 . 1 1 19 19 LEU HD12 H 1 0.748 0.002 . . . . . A 19 LEU HD12 . 19519 1 110 . 1 1 19 19 LEU HD13 H 1 0.748 0.002 . . . . . A 19 LEU HD13 . 19519 1 111 . 1 1 20 20 LEU H H 1 8.655 0.000 . . . . . A 20 LEU H . 19519 1 112 . 1 1 20 20 LEU HA H 1 4.340 0.000 . . . . . A 20 LEU HA . 19519 1 113 . 1 1 20 20 LEU HB2 H 1 1.468 0.000 . . . . . A 20 LEU HB2 . 19519 1 114 . 1 1 20 20 LEU HB3 H 1 1.468 0.000 . . . . . A 20 LEU HB3 . 19519 1 115 . 1 1 20 20 LEU HG H 1 1.255 0.007 . . . . . A 20 LEU HG . 19519 1 116 . 1 1 20 20 LEU HD11 H 1 0.856 0.002 . . . . . A 20 LEU HD11 . 19519 1 117 . 1 1 20 20 LEU HD12 H 1 0.856 0.002 . . . . . A 20 LEU HD12 . 19519 1 118 . 1 1 20 20 LEU HD13 H 1 0.856 0.002 . . . . . A 20 LEU HD13 . 19519 1 119 . 1 1 20 20 LEU HD21 H 1 0.749 0.002 . . . . . A 20 LEU HD21 . 19519 1 120 . 1 1 20 20 LEU HD22 H 1 0.749 0.002 . . . . . A 20 LEU HD22 . 19519 1 121 . 1 1 20 20 LEU HD23 H 1 0.749 0.002 . . . . . A 20 LEU HD23 . 19519 1 122 . 1 1 21 21 GLY H H 1 8.043 0.000 . . . . . A 21 GLY H . 19519 1 123 . 1 1 21 21 GLY HA2 H 1 2.990 0.003 . . . . . A 21 GLY HA2 . 19519 1 124 . 1 1 21 21 GLY HA3 H 1 5.208 0.002 . . . . . A 21 GLY HA3 . 19519 1 125 . 1 1 22 22 LYS H H 1 8.871 0.001 . . . . . A 22 LYS H . 19519 1 126 . 1 1 22 22 LYS HA H 1 4.396 0.001 . . . . . A 22 LYS HA . 19519 1 127 . 1 1 22 22 LYS HB2 H 1 1.672 0.000 . . . . . A 22 LYS HB2 . 19519 1 128 . 1 1 22 22 LYS HB3 H 1 1.672 0.000 . . . . . A 22 LYS HB3 . 19519 1 129 . 1 1 22 22 LYS HG2 H 1 1.295 0.000 . . . . . A 22 LYS HG2 . 19519 1 130 . 1 1 22 22 LYS HG3 H 1 1.295 0.000 . . . . . A 22 LYS HG3 . 19519 1 131 . 1 1 22 22 LYS HD2 H 1 1.553 0.001 . . . . . A 22 LYS HD2 . 19519 1 132 . 1 1 22 22 LYS HD3 H 1 1.553 0.001 . . . . . A 22 LYS HD3 . 19519 1 133 . 1 1 22 22 LYS HE2 H 1 2.850 0.000 . . . . . A 22 LYS HE2 . 19519 1 134 . 1 1 22 22 LYS HE3 H 1 2.850 0.000 . . . . . A 22 LYS HE3 . 19519 1 135 . 1 1 23 23 CYS H H 1 8.266 0.000 . . . . . A 23 CYS H . 19519 1 136 . 1 1 23 23 CYS HA H 1 5.312 0.000 . . . . . A 23 CYS HA . 19519 1 137 . 1 1 23 23 CYS HB2 H 1 2.955 0.000 . . . . . A 23 CYS HB2 . 19519 1 138 . 1 1 23 23 CYS HB3 H 1 2.845 0.000 . . . . . A 23 CYS HB3 . 19519 1 139 . 1 1 24 24 ILE H H 1 9.056 0.000 . . . . . A 24 ILE H . 19519 1 140 . 1 1 24 24 ILE HA H 1 4.281 0.002 . . . . . A 24 ILE HA . 19519 1 141 . 1 1 24 24 ILE HB H 1 1.815 0.000 . . . . . A 24 ILE HB . 19519 1 142 . 1 1 24 24 ILE HG12 H 1 1.413 0.000 . . . . . A 24 ILE HG12 . 19519 1 143 . 1 1 24 24 ILE HG13 H 1 1.116 0.000 . . . . . A 24 ILE HG13 . 19519 1 144 . 1 1 24 24 ILE HG21 H 1 0.887 0.000 . . . . . A 24 ILE HG21 . 19519 1 145 . 1 1 24 24 ILE HG22 H 1 0.887 0.000 . . . . . A 24 ILE HG22 . 19519 1 146 . 1 1 24 24 ILE HG23 H 1 0.887 0.000 . . . . . A 24 ILE HG23 . 19519 1 147 . 1 1 24 24 ILE HD11 H 1 0.803 0.002 . . . . . A 24 ILE HD11 . 19519 1 148 . 1 1 24 24 ILE HD12 H 1 0.803 0.002 . . . . . A 24 ILE HD12 . 19519 1 149 . 1 1 24 24 ILE HD13 H 1 0.803 0.002 . . . . . A 24 ILE HD13 . 19519 1 150 . 1 1 25 25 GLY H H 1 9.027 0.000 . . . . . A 25 GLY H . 19519 1 151 . 1 1 25 25 GLY HA2 H 1 3.728 0.000 . . . . . A 25 GLY HA2 . 19519 1 152 . 1 1 25 25 GLY HA3 H 1 3.954 0.000 . . . . . A 25 GLY HA3 . 19519 1 153 . 1 1 26 26 GLU H H 1 8.852 0.001 . . . . . A 26 GLU H . 19519 1 154 . 1 1 26 26 GLU HA H 1 4.175 0.000 . . . . . A 26 GLU HA . 19519 1 155 . 1 1 26 26 GLU HB2 H 1 1.974 0.000 . . . . . A 26 GLU HB2 . 19519 1 156 . 1 1 26 26 GLU HB3 H 1 1.974 0.000 . . . . . A 26 GLU HB3 . 19519 1 157 . 1 1 26 26 GLU HG2 H 1 2.263 0.001 . . . . . A 26 GLU HG2 . 19519 1 158 . 1 1 26 26 GLU HG3 H 1 2.433 0.001 . . . . . A 26 GLU HG3 . 19519 1 159 . 1 1 27 27 GLU H H 1 7.744 0.000 . . . . . A 27 GLU H . 19519 1 160 . 1 1 27 27 GLU HA H 1 4.541 0.002 . . . . . A 27 GLU HA . 19519 1 161 . 1 1 27 27 GLU HB2 H 1 2.080 0.000 . . . . . A 27 GLU HB2 . 19519 1 162 . 1 1 27 27 GLU HB3 H 1 2.012 0.002 . . . . . A 27 GLU HB3 . 19519 1 163 . 1 1 27 27 GLU HG2 H 1 2.372 0.002 . . . . . A 27 GLU HG2 . 19519 1 164 . 1 1 27 27 GLU HG3 H 1 2.429 0.003 . . . . . A 27 GLU HG3 . 19519 1 165 . 1 1 28 28 CYS H H 1 8.695 0.000 . . . . . A 28 CYS H . 19519 1 166 . 1 1 28 28 CYS HA H 1 5.060 0.000 . . . . . A 28 CYS HA . 19519 1 167 . 1 1 28 28 CYS HB2 H 1 3.072 0.000 . . . . . A 28 CYS HB2 . 19519 1 168 . 1 1 28 28 CYS HB3 H 1 2.702 0.000 . . . . . A 28 CYS HB3 . 19519 1 169 . 1 1 29 29 LYS H H 1 9.518 0.001 . . . . . A 29 LYS H . 19519 1 170 . 1 1 29 29 LYS HA H 1 4.687 0.000 . . . . . A 29 LYS HA . 19519 1 171 . 1 1 29 29 LYS HB2 H 1 1.740 0.001 . . . . . A 29 LYS HB2 . 19519 1 172 . 1 1 29 29 LYS HB3 H 1 1.639 0.003 . . . . . A 29 LYS HB3 . 19519 1 173 . 1 1 29 29 LYS HG2 H 1 1.344 0.000 . . . . . A 29 LYS HG2 . 19519 1 174 . 1 1 29 29 LYS HG3 H 1 1.344 0.000 . . . . . A 29 LYS HG3 . 19519 1 175 . 1 1 29 29 LYS HD2 H 1 1.449 0.000 . . . . . A 29 LYS HD2 . 19519 1 176 . 1 1 29 29 LYS HD3 H 1 1.449 0.000 . . . . . A 29 LYS HD3 . 19519 1 177 . 1 1 29 29 LYS HE2 H 1 2.951 0.000 . . . . . A 29 LYS HE2 . 19519 1 178 . 1 1 29 29 LYS HE3 H 1 2.951 0.000 . . . . . A 29 LYS HE3 . 19519 1 179 . 1 1 30 30 CYS H H 1 8.543 0.001 . . . . . A 30 CYS H . 19519 1 180 . 1 1 30 30 CYS HA H 1 5.711 0.000 . . . . . A 30 CYS HA . 19519 1 181 . 1 1 30 30 CYS HB2 H 1 2.954 0.000 . . . . . A 30 CYS HB2 . 19519 1 182 . 1 1 30 30 CYS HB3 H 1 2.670 0.001 . . . . . A 30 CYS HB3 . 19519 1 183 . 1 1 31 31 VAL H H 1 9.530 0.000 . . . . . A 31 VAL H . 19519 1 184 . 1 1 31 31 VAL HA H 1 4.954 0.001 . . . . . A 31 VAL HA . 19519 1 185 . 1 1 31 31 VAL HB H 1 2.298 0.000 . . . . . A 31 VAL HB . 19519 1 186 . 1 1 31 31 VAL HG11 H 1 0.858 0.000 . . . . . A 31 VAL HG11 . 19519 1 187 . 1 1 31 31 VAL HG12 H 1 0.858 0.000 . . . . . A 31 VAL HG12 . 19519 1 188 . 1 1 31 31 VAL HG13 H 1 0.858 0.000 . . . . . A 31 VAL HG13 . 19519 1 189 . 1 1 31 31 VAL HG21 H 1 0.749 0.002 . . . . . A 31 VAL HG21 . 19519 1 190 . 1 1 31 31 VAL HG22 H 1 0.749 0.002 . . . . . A 31 VAL HG22 . 19519 1 191 . 1 1 31 31 VAL HG23 H 1 0.749 0.002 . . . . . A 31 VAL HG23 . 19519 1 192 . 1 1 32 32 PRO HA H 1 4.562 0.000 . . . . . A 32 PRO HA . 19519 1 193 . 1 1 32 32 PRO HB2 H 1 2.333 0.000 . . . . . A 32 PRO HB2 . 19519 1 194 . 1 1 32 32 PRO HB3 H 1 2.049 0.002 . . . . . A 32 PRO HB3 . 19519 1 195 . 1 1 32 32 PRO HG2 H 1 1.947 0.000 . . . . . A 32 PRO HG2 . 19519 1 196 . 1 1 32 32 PRO HG3 H 1 1.947 0.000 . . . . . A 32 PRO HG3 . 19519 1 197 . 1 1 32 32 PRO HD2 H 1 3.823 0.001 . . . . . A 32 PRO HD2 . 19519 1 198 . 1 1 32 32 PRO HD3 H 1 3.652 0.000 . . . . . A 32 PRO HD3 . 19519 1 199 . 1 1 33 33 TYR H H 1 8.275 0.000 . . . . . A 33 TYR H . 19519 1 200 . 1 1 33 33 TYR HA H 1 4.251 0.003 . . . . . A 33 TYR HA . 19519 1 201 . 1 1 33 33 TYR HB2 H 1 3.108 0.000 . . . . . A 33 TYR HB2 . 19519 1 202 . 1 1 33 33 TYR HB3 H 1 2.924 0.000 . . . . . A 33 TYR HB3 . 19519 1 203 . 1 1 33 33 TYR HD1 H 1 7.237 0.000 . . . . . A 33 TYR HD1 . 19519 1 204 . 1 1 33 33 TYR HD2 H 1 7.237 0.000 . . . . . A 33 TYR HD2 . 19519 1 205 . 1 1 33 33 TYR HE1 H 1 6.738 0.000 . . . . . A 33 TYR HE1 . 19519 1 206 . 1 1 33 33 TYR HE2 H 1 6.738 0.000 . . . . . A 33 TYR HE2 . 19519 1 stop_ save_