################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7123 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7123 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 ILE HA H 1 3.727 0.000 . 1 . . . . 1 ILE HA . 7123 1 2 . 1 1 1 1 ILE HB H 1 1.877 0.000 . 1 . . . . 1 ILE HB . 7123 1 3 . 1 1 1 1 ILE HG12 H 1 0.882 0.000 . 2 . . . . 1 ILE HG12 . 7123 1 4 . 1 1 1 1 ILE HG13 H 1 0.833 0.000 . 2 . . . . 1 ILE HG13 . 7123 1 5 . 1 1 1 1 ILE HD11 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1 6 . 1 1 1 1 ILE HD12 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1 7 . 1 1 1 1 ILE HD13 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1 8 . 1 1 2 2 PHE H H 1 8.493 0.000 . 1 . . . . 2 PHE H . 7123 1 9 . 1 1 2 2 PHE HA H 1 4.624 0.000 . 1 . . . . 2 PHE HA . 7123 1 10 . 1 1 2 2 PHE HB2 H 1 2.902 0.000 . 2 . . . . 2 PHE HB2 . 7123 1 11 . 1 1 2 2 PHE HB3 H 1 2.791 0.000 . 2 . . . . 2 PHE HB3 . 7123 1 12 . 1 1 2 2 PHE HD1 H 1 7.157 0.000 . 1 . . . . 2 PHE HD . 7123 1 13 . 1 1 2 2 PHE HD2 H 1 7.157 0.000 . 1 . . . . 2 PHE HD . 7123 1 14 . 1 1 3 3 GLU H H 1 8.374 0.000 . 1 . . . . 3 GLU H . 7123 1 15 . 1 1 3 3 GLU HA H 1 4.441 0.000 . 1 . . . . 3 GLU HA . 7123 1 16 . 1 1 3 3 GLU HB2 H 1 1.919 0.000 . 2 . . . . 3 GLU HB2 . 7123 1 17 . 1 1 3 3 GLU HB3 H 1 1.796 0.000 . 2 . . . . 3 GLU HB3 . 7123 1 18 . 1 1 3 3 GLU HG2 H 1 2.291 0.000 . 1 . . . . 3 GLU HG2 . 7123 1 19 . 1 1 3 3 GLU HG3 H 1 2.291 0.000 . 1 . . . . 3 GLU HG3 . 7123 1 20 . 1 1 4 4 CYS H H 1 8.481 0.000 . 1 . . . . 4 CYS H . 7123 1 21 . 1 1 4 4 CYS HA H 1 4.718 0.000 . 1 . . . . 4 CYS HA . 7123 1 22 . 1 1 4 4 CYS HB2 H 1 2.400 0.000 . 1 . . . . 4 CYS HB2 . 7123 1 23 . 1 1 4 4 CYS HB3 H 1 2.400 0.000 . 1 . . . . 4 CYS HB3 . 7123 1 24 . 1 1 5 5 VAL H H 1 8.501 0.000 . 1 . . . . 5 VAL H . 7123 1 25 . 1 1 5 5 VAL HA H 1 4.190 0.000 . 1 . . . . 5 VAL HA . 7123 1 26 . 1 1 5 5 VAL HB H 1 2.167 0.000 . 1 . . . . 5 VAL HB . 7123 1 27 . 1 1 5 5 VAL HG11 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1 28 . 1 1 5 5 VAL HG12 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1 29 . 1 1 5 5 VAL HG13 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1 30 . 1 1 5 5 VAL HG21 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1 31 . 1 1 5 5 VAL HG22 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1 32 . 1 1 5 5 VAL HG23 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1 33 . 1 1 6 6 PHE H H 1 8.607 0.000 . 1 . . . . 6 PHE H . 7123 1 34 . 1 1 6 6 PHE HA H 1 4.533 0.000 . 1 . . . . 6 PHE HA . 7123 1 35 . 1 1 6 6 PHE HB2 H 1 3.110 0.000 . 2 . . . . 6 PHE HB2 . 7123 1 36 . 1 1 6 6 PHE HB3 H 1 3.031 0.000 . 2 . . . . 6 PHE HB3 . 7123 1 37 . 1 1 6 6 PHE HD1 H 1 7.191 0.000 . 1 . . . . 6 PHE HD . 7123 1 38 . 1 1 6 6 PHE HD2 H 1 7.191 0.000 . 1 . . . . 6 PHE HD . 7123 1 39 . 1 1 6 6 PHE HE1 H 1 7.268 0.000 . 1 . . . . 6 PHE HE . 7123 1 40 . 1 1 6 6 PHE HE2 H 1 7.268 0.000 . 1 . . . . 6 PHE HE . 7123 1 41 . 1 1 7 7 SER H H 1 7.608 0.000 . 1 . . . . 7 SER H . 7123 1 42 . 1 1 7 7 SER HA H 1 4.449 0.000 . 1 . . . . 7 SER HA . 7123 1 43 . 1 1 7 7 SER HB2 H 1 3.697 0.000 . 1 . . . . 7 SER HB2 . 7123 1 44 . 1 1 7 7 SER HB3 H 1 3.697 0.000 . 1 . . . . 7 SER HB3 . 7123 1 45 . 1 1 8 8 CYS H H 1 8.891 0.000 . 1 . . . . 8 CYS H . 7123 1 46 . 1 1 8 8 CYS HA H 1 4.452 0.000 . 1 . . . . 8 CYS HA . 7123 1 47 . 1 1 8 8 CYS HB2 H 1 2.863 0.000 . 2 . . . . 8 CYS HB2 . 7123 1 48 . 1 1 8 8 CYS HB3 H 1 2.179 0.000 . 2 . . . . 8 CYS HB3 . 7123 1 49 . 1 1 9 9 ASP H H 1 6.958 0.000 . 1 . . . . 9 ASP H . 7123 1 50 . 1 1 9 9 ASP HA H 1 4.224 0.000 . 1 . . . . 9 ASP HA . 7123 1 51 . 1 1 9 9 ASP HB2 H 1 3.020 0.000 . 2 . . . . 9 ASP HB2 . 7123 1 52 . 1 1 9 9 ASP HB3 H 1 2.970 0.000 . 2 . . . . 9 ASP HB3 . 7123 1 53 . 1 1 10 10 ILE H H 1 8.912 0.000 . 1 . . . . 10 ILE H . 7123 1 54 . 1 1 10 10 ILE HA H 1 4.005 0.000 . 1 . . . . 10 ILE HA . 7123 1 55 . 1 1 10 10 ILE HB H 1 1.805 0.000 . 1 . . . . 10 ILE HB . 7123 1 56 . 1 1 10 10 ILE HG12 H 1 0.899 0.000 . 1 . . . . 10 ILE HG12 . 7123 1 57 . 1 1 10 10 ILE HG13 H 1 0.899 0.000 . 1 . . . . 10 ILE HG13 . 7123 1 58 . 1 1 10 10 ILE HG21 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1 59 . 1 1 10 10 ILE HG22 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1 60 . 1 1 10 10 ILE HG23 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1 61 . 1 1 11 11 LYS H H 1 7.941 0.000 . 1 . . . . 11 LYS H . 7123 1 62 . 1 1 11 11 LYS HA H 1 4.151 0.000 . 1 . . . . 11 LYS HA . 7123 1 63 . 1 1 11 11 LYS HB2 H 1 1.858 0.000 . 1 . . . . 11 LYS HB2 . 7123 1 64 . 1 1 11 11 LYS HB3 H 1 1.858 0.000 . 1 . . . . 11 LYS HB3 . 7123 1 65 . 1 1 11 11 LYS HG2 H 1 1.463 0.000 . 2 . . . . 11 LYS HG2 . 7123 1 66 . 1 1 11 11 LYS HG3 H 1 1.380 0.000 . 2 . . . . 11 LYS HG3 . 7123 1 67 . 1 1 11 11 LYS HD2 H 1 1.623 0.000 . 1 . . . . 11 LYS HD2 . 7123 1 68 . 1 1 11 11 LYS HD3 H 1 1.623 0.000 . 1 . . . . 11 LYS HD3 . 7123 1 69 . 1 1 11 11 LYS HE2 H 1 2.922 0.000 . 1 . . . . 11 LYS HE2 . 7123 1 70 . 1 1 11 11 LYS HE3 H 1 2.922 0.000 . 1 . . . . 11 LYS HE3 . 7123 1 71 . 1 1 12 12 LYS H H 1 7.803 0.000 . 1 . . . . 12 LYS H . 7123 1 72 . 1 1 12 12 LYS HA H 1 4.306 0.000 . 1 . . . . 12 LYS HA . 7123 1 73 . 1 1 12 12 LYS HB2 H 1 2.279 0.000 . 1 . . . . 12 LYS HB2 . 7123 1 74 . 1 1 12 12 LYS HB3 H 1 2.279 0.000 . 1 . . . . 12 LYS HB3 . 7123 1 75 . 1 1 12 12 LYS HG2 H 1 1.511 0.000 . 2 . . . . 12 LYS HG2 . 7123 1 76 . 1 1 12 12 LYS HG3 H 1 1.376 0.000 . 2 . . . . 12 LYS HG3 . 7123 1 77 . 1 1 12 12 LYS HE2 H 1 2.909 0.000 . 1 . . . . 12 LYS HE2 . 7123 1 78 . 1 1 12 12 LYS HE3 H 1 2.909 0.000 . 1 . . . . 12 LYS HE3 . 7123 1 79 . 1 1 13 13 GLU H H 1 7.175 0.000 . 1 . . . . 13 GLU H . 7123 1 80 . 1 1 13 13 GLU HA H 1 3.835 0.000 . 1 . . . . 13 GLU HA . 7123 1 81 . 1 1 13 13 GLU HB2 H 1 2.401 0.000 . 1 . . . . 13 GLU HB2 . 7123 1 82 . 1 1 13 13 GLU HB3 H 1 2.401 0.000 . 1 . . . . 13 GLU HB3 . 7123 1 83 . 1 1 13 13 GLU HG2 H 1 1.853 0.000 . 1 . . . . 13 GLU HG2 . 7123 1 84 . 1 1 13 13 GLU HG3 H 1 1.853 0.000 . 1 . . . . 13 GLU HG3 . 7123 1 85 . 1 1 14 14 GLY H H 1 9.150 0.000 . 1 . . . . 14 GLY H . 7123 1 86 . 1 1 14 14 GLY HA2 H 1 4.267 0.000 . 2 . . . . 14 GLY HA2 . 7123 1 87 . 1 1 14 14 GLY HA3 H 1 3.638 0.000 . 2 . . . . 14 GLY HA3 . 7123 1 88 . 1 1 15 15 LYS H H 1 8.103 0.000 . 1 . . . . 15 LYS H . 7123 1 89 . 1 1 15 15 LYS HA H 1 4.566 0.000 . 1 . . . . 15 LYS HA . 7123 1 90 . 1 1 15 15 LYS HB2 H 1 1.900 0.000 . 2 . . . . 15 LYS HB2 . 7123 1 91 . 1 1 15 15 LYS HB3 H 1 1.777 0.000 . 2 . . . . 15 LYS HB3 . 7123 1 92 . 1 1 15 15 LYS HG2 H 1 1.293 0.000 . 1 . . . . 15 LYS HG2 . 7123 1 93 . 1 1 15 15 LYS HG3 H 1 1.293 0.000 . 1 . . . . 15 LYS HG3 . 7123 1 94 . 1 1 16 16 PRO HA H 1 4.986 0.000 . 1 . . . . 16 PRO HA . 7123 1 95 . 1 1 16 16 PRO HB2 H 1 2.192 0.000 . 2 . . . . 16 PRO HB2 . 7123 1 96 . 1 1 16 16 PRO HB3 H 1 2.133 0.000 . 2 . . . . 16 PRO HB3 . 7123 1 97 . 1 1 16 16 PRO HG2 H 1 1.783 0.000 . 1 . . . . 16 PRO HG2 . 7123 1 98 . 1 1 16 16 PRO HG3 H 1 1.783 0.000 . 1 . . . . 16 PRO HG3 . 7123 1 99 . 1 1 16 16 PRO HD2 H 1 3.929 0.000 . 2 . . . . 16 PRO HD2 . 7123 1 100 . 1 1 16 16 PRO HD3 H 1 3.704 0.000 . 2 . . . . 16 PRO HD3 . 7123 1 101 . 1 1 17 17 CYS H H 1 8.219 0.000 . 1 . . . . 17 CYS H . 7123 1 102 . 1 1 17 17 CYS HA H 1 5.046 0.000 . 1 . . . . 17 CYS HA . 7123 1 103 . 1 1 17 17 CYS HB2 H 1 2.926 0.000 . 1 . . . . 17 CYS HB2 . 7123 1 104 . 1 1 17 17 CYS HB3 H 1 2.926 0.000 . 1 . . . . 17 CYS HB3 . 7123 1 105 . 1 1 18 18 LYS H H 1 8.025 0.000 . 1 . . . . 18 LYS H . 7123 1 106 . 1 1 18 18 LYS HA H 1 4.578 0.000 . 1 . . . . 18 LYS HA . 7123 1 107 . 1 1 18 18 LYS HB2 H 1 1.606 0.000 . 1 . . . . 18 LYS HB2 . 7123 1 108 . 1 1 18 18 LYS HB3 H 1 1.606 0.000 . 1 . . . . 18 LYS HB3 . 7123 1 109 . 1 1 18 18 LYS HG2 H 1 1.310 0.000 . 2 . . . . 18 LYS HG2 . 7123 1 110 . 1 1 18 18 LYS HG3 H 1 1.092 0.000 . 2 . . . . 18 LYS HG3 . 7123 1 111 . 1 1 18 18 LYS HD2 H 1 1.234 0.000 . 1 . . . . 18 LYS HD2 . 7123 1 112 . 1 1 18 18 LYS HD3 H 1 1.234 0.000 . 1 . . . . 18 LYS HD3 . 7123 1 113 . 1 1 18 18 LYS HE2 H 1 2.613 0.000 . 1 . . . . 18 LYS HE2 . 7123 1 114 . 1 1 18 18 LYS HE3 H 1 2.613 0.000 . 1 . . . . 18 LYS HE3 . 7123 1 115 . 1 1 19 19 PRO HA H 1 4.023 0.000 . 1 . . . . 19 PRO HA . 7123 1 116 . 1 1 19 19 PRO HB2 H 1 1.254 0.000 . 2 . . . . 19 PRO HB2 . 7123 1 117 . 1 1 19 19 PRO HB3 H 1 1.156 0.000 . 2 . . . . 19 PRO HB3 . 7123 1 118 . 1 1 19 19 PRO HG2 H 1 0.538 0.000 . 2 . . . . 19 PRO HG2 . 7123 1 119 . 1 1 19 19 PRO HG3 H 1 -0.089 0.000 . 2 . . . . 19 PRO HG3 . 7123 1 120 . 1 1 19 19 PRO HD2 H 1 2.823 0.000 . 1 . . . . 19 PRO HD2 . 7123 1 121 . 1 1 19 19 PRO HD3 H 1 2.823 0.000 . 1 . . . . 19 PRO HD3 . 7123 1 122 . 1 1 20 20 LYS H H 1 8.169 0.000 . 1 . . . . 20 LYS H . 7123 1 123 . 1 1 20 20 LYS HA H 1 3.834 0.000 . 1 . . . . 20 LYS HA . 7123 1 124 . 1 1 20 20 LYS HB2 H 1 1.672 0.000 . 2 . . . . 20 LYS HB2 . 7123 1 125 . 1 1 20 20 LYS HB3 H 1 1.586 0.000 . 2 . . . . 20 LYS HB3 . 7123 1 126 . 1 1 20 20 LYS HG2 H 1 1.250 0.000 . 1 . . . . 20 LYS HG2 . 7123 1 127 . 1 1 20 20 LYS HG3 H 1 1.250 0.000 . 1 . . . . 20 LYS HG3 . 7123 1 128 . 1 1 20 20 LYS HD2 H 1 1.146 0.000 . 1 . . . . 20 LYS HD2 . 7123 1 129 . 1 1 20 20 LYS HD3 H 1 1.146 0.000 . 1 . . . . 20 LYS HD3 . 7123 1 130 . 1 1 21 21 GLY H H 1 8.562 0.000 . 1 . . . . 21 GLY H . 7123 1 131 . 1 1 21 21 GLY HA2 H 1 3.972 0.000 . 2 . . . . 21 GLY HA2 . 7123 1 132 . 1 1 21 21 GLY HA3 H 1 3.593 0.000 . 2 . . . . 21 GLY HA3 . 7123 1 133 . 1 1 22 22 GLU H H 1 7.364 0.000 . 1 . . . . 22 GLU H . 7123 1 134 . 1 1 22 22 GLU HA H 1 4.401 0.000 . 1 . . . . 22 GLU HA . 7123 1 135 . 1 1 22 22 GLU HB2 H 1 2.087 0.000 . 2 . . . . 22 GLU HB2 . 7123 1 136 . 1 1 22 22 GLU HB3 H 1 1.936 0.000 . 2 . . . . 22 GLU HB3 . 7123 1 137 . 1 1 22 22 GLU HG2 H 1 1.489 0.000 . 1 . . . . 22 GLU HG2 . 7123 1 138 . 1 1 22 22 GLU HG3 H 1 1.489 0.000 . 1 . . . . 22 GLU HG3 . 7123 1 139 . 1 1 23 23 LYS H H 1 8.547 0.000 . 1 . . . . 23 LYS H . 7123 1 140 . 1 1 23 23 LYS HA H 1 4.159 0.000 . 1 . . . . 23 LYS HA . 7123 1 141 . 1 1 23 23 LYS HB2 H 1 1.644 0.000 . 1 . . . . 23 LYS HB2 . 7123 1 142 . 1 1 23 23 LYS HB3 H 1 1.644 0.000 . 1 . . . . 23 LYS HB3 . 7123 1 143 . 1 1 23 23 LYS HG2 H 1 1.789 0.000 . 2 . . . . 23 LYS HG2 . 7123 1 144 . 1 1 23 23 LYS HG3 H 1 1.559 0.000 . 2 . . . . 23 LYS HG3 . 7123 1 145 . 1 1 23 23 LYS HD2 H 1 1.400 0.000 . 2 . . . . 23 LYS HD2 . 7123 1 146 . 1 1 23 23 LYS HD3 H 1 1.300 0.000 . 2 . . . . 23 LYS HD3 . 7123 1 147 . 1 1 24 24 LYS H H 1 7.851 0.000 . 1 . . . . 24 LYS H . 7123 1 148 . 1 1 24 24 LYS HA H 1 4.419 0.000 . 1 . . . . 24 LYS HA . 7123 1 149 . 1 1 24 24 LYS HB2 H 1 1.656 0.000 . 1 . . . . 24 LYS HB2 . 7123 1 150 . 1 1 24 24 LYS HB3 H 1 1.656 0.000 . 1 . . . . 24 LYS HB3 . 7123 1 151 . 1 1 24 24 LYS HG2 H 1 1.268 0.000 . 1 . . . . 24 LYS HG2 . 7123 1 152 . 1 1 24 24 LYS HG3 H 1 1.268 0.000 . 1 . . . . 24 LYS HG3 . 7123 1 153 . 1 1 24 24 LYS HD2 H 1 1.571 0.000 . 1 . . . . 24 LYS HD2 . 7123 1 154 . 1 1 24 24 LYS HD3 H 1 1.571 0.000 . 1 . . . . 24 LYS HD3 . 7123 1 155 . 1 1 25 25 CYS H H 1 8.915 0.000 . 1 . . . . 25 CYS H . 7123 1 156 . 1 1 25 25 CYS HA H 1 4.615 0.000 . 1 . . . . 25 CYS HA . 7123 1 157 . 1 1 25 25 CYS HB2 H 1 3.123 0.000 . 2 . . . . 25 CYS HB2 . 7123 1 158 . 1 1 25 25 CYS HB3 H 1 2.865 0.000 . 2 . . . . 25 CYS HB3 . 7123 1 159 . 1 1 26 26 THR H H 1 8.453 0.000 . 1 . . . . 26 THR H . 7123 1 160 . 1 1 26 26 THR HA H 1 4.431 0.000 . 1 . . . . 26 THR HA . 7123 1 161 . 1 1 26 26 THR HG21 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1 162 . 1 1 26 26 THR HG22 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1 163 . 1 1 26 26 THR HG23 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1 164 . 1 1 27 27 GLY H H 1 8.437 0.000 . 1 . . . . 27 GLY H . 7123 1 165 . 1 1 27 27 GLY HA2 H 1 3.675 0.000 . 2 . . . . 27 GLY HA2 . 7123 1 166 . 1 1 27 27 GLY HA3 H 1 3.317 0.000 . 2 . . . . 27 GLY HA3 . 7123 1 167 . 1 1 28 28 GLY H H 1 8.407 0.000 . 1 . . . . 28 GLY H . 7123 1 168 . 1 1 28 28 GLY HA2 H 1 3.826 0.000 . 2 . . . . 28 GLY HA2 . 7123 1 169 . 1 1 28 28 GLY HA3 H 1 3.592 0.000 . 2 . . . . 28 GLY HA3 . 7123 1 170 . 1 1 29 29 TRP H H 1 7.815 0.000 . 1 . . . . 29 TRP H . 7123 1 171 . 1 1 29 29 TRP HA H 1 5.024 0.000 . 1 . . . . 29 TRP HA . 7123 1 172 . 1 1 29 29 TRP HB2 H 1 3.178 0.000 . 2 . . . . 29 TRP HB2 . 7123 1 173 . 1 1 29 29 TRP HB3 H 1 3.030 0.000 . 2 . . . . 29 TRP HB3 . 7123 1 174 . 1 1 29 29 TRP HD1 H 1 6.874 0.000 . 1 . . . . 29 TRP HD1 . 7123 1 175 . 1 1 29 29 TRP HE1 H 1 9.995 0.000 . 1 . . . . 29 TRP HE1 . 7123 1 176 . 1 1 29 29 TRP HE3 H 1 7.249 0.000 . 1 . . . . 29 TRP HE3 . 7123 1 177 . 1 1 29 29 TRP HZ2 H 1 7.094 0.000 . 1 . . . . 29 TRP HZ2 . 7123 1 178 . 1 1 29 29 TRP HZ3 H 1 7.094 0.000 . 1 . . . . 29 TRP HZ3 . 7123 1 179 . 1 1 29 29 TRP HH2 H 1 7.348 0.000 . 1 . . . . 29 TRP HH2 . 7123 1 180 . 1 1 30 30 ARG H H 1 9.163 0.000 . 1 . . . . 30 ARG H . 7123 1 181 . 1 1 30 30 ARG HA H 1 5.147 0.000 . 1 . . . . 30 ARG HA . 7123 1 182 . 1 1 30 30 ARG HB2 H 1 1.461 0.000 . 2 . . . . 30 ARG HB2 . 7123 1 183 . 1 1 30 30 ARG HB3 H 1 1.290 0.000 . 2 . . . . 30 ARG HB3 . 7123 1 184 . 1 1 30 30 ARG HG2 H 1 1.395 0.000 . 2 . . . . 30 ARG HG2 . 7123 1 185 . 1 1 30 30 ARG HG3 H 1 1.188 0.000 . 2 . . . . 30 ARG HG3 . 7123 1 186 . 1 1 30 30 ARG HD2 H 1 3.092 0.000 . 2 . . . . 30 ARG HD2 . 7123 1 187 . 1 1 30 30 ARG HD3 H 1 2.905 0.000 . 2 . . . . 30 ARG HD3 . 7123 1 188 . 1 1 30 30 ARG HE H 1 7.167 0.000 . 1 . . . . 30 ARG HE . 7123 1 189 . 1 1 31 31 CYS H H 1 8.475 0.000 . 1 . . . . 31 CYS H . 7123 1 190 . 1 1 31 31 CYS HA H 1 5.014 0.000 . 1 . . . . 31 CYS HA . 7123 1 191 . 1 1 31 31 CYS HB2 H 1 2.970 0.000 . 1 . . . . 31 CYS HB2 . 7123 1 192 . 1 1 31 31 CYS HB3 H 1 2.970 0.000 . 1 . . . . 31 CYS HB3 . 7123 1 193 . 1 1 32 32 LYS H H 1 9.613 0.000 . 1 . . . . 32 LYS H . 7123 1 194 . 1 1 32 32 LYS HA H 1 4.500 0.000 . 1 . . . . 32 LYS HA . 7123 1 195 . 1 1 32 32 LYS HB2 H 1 1.790 0.000 . 1 . . . . 32 LYS HB2 . 7123 1 196 . 1 1 32 32 LYS HB3 H 1 1.790 0.000 . 1 . . . . 32 LYS HB3 . 7123 1 197 . 1 1 32 32 LYS HG2 H 1 1.562 0.000 . 1 . . . . 32 LYS HG2 . 7123 1 198 . 1 1 32 32 LYS HG3 H 1 1.562 0.000 . 1 . . . . 32 LYS HG3 . 7123 1 199 . 1 1 32 32 LYS HD2 H 1 1.281 0.000 . 1 . . . . 32 LYS HD2 . 7123 1 200 . 1 1 32 32 LYS HD3 H 1 1.281 0.000 . 1 . . . . 32 LYS HD3 . 7123 1 201 . 1 1 33 33 ILE H H 1 7.832 0.000 . 1 . . . . 33 ILE H . 7123 1 202 . 1 1 33 33 ILE HA H 1 3.975 0.000 . 1 . . . . 33 ILE HA . 7123 1 203 . 1 1 33 33 ILE HB H 1 1.702 0.000 . 1 . . . . 33 ILE HB . 7123 1 204 . 1 1 33 33 ILE HG12 H 1 0.904 0.000 . 1 . . . . 33 ILE HG12 . 7123 1 205 . 1 1 33 33 ILE HG13 H 1 0.904 0.000 . 1 . . . . 33 ILE HG13 . 7123 1 206 . 1 1 33 33 ILE HD11 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1 207 . 1 1 33 33 ILE HD12 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1 208 . 1 1 33 33 ILE HD13 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1 209 . 1 1 34 34 LYS H H 1 9.070 0.000 . 1 . . . . 34 LYS H . 7123 1 210 . 1 1 34 34 LYS HA H 1 2.959 0.000 . 1 . . . . 34 LYS HA . 7123 1 211 . 1 1 34 34 LYS HB2 H 1 2.268 0.000 . 1 . . . . 34 LYS HB2 . 7123 1 212 . 1 1 34 34 LYS HB3 H 1 2.268 0.000 . 1 . . . . 34 LYS HB3 . 7123 1 213 . 1 1 34 34 LYS HG2 H 1 0.909 0.000 . 1 . . . . 34 LYS HG2 . 7123 1 214 . 1 1 34 34 LYS HG3 H 1 0.909 0.000 . 1 . . . . 34 LYS HG3 . 7123 1 215 . 1 1 34 34 LYS HD2 H 1 1.004 0.000 . 1 . . . . 34 LYS HD2 . 7123 1 216 . 1 1 34 34 LYS HD3 H 1 1.004 0.000 . 1 . . . . 34 LYS HD3 . 7123 1 217 . 1 1 35 35 LEU H H 1 7.912 0.000 . 1 . . . . 35 LEU H . 7123 1 218 . 1 1 35 35 LEU HA H 1 4.507 0.000 . 1 . . . . 35 LEU HA . 7123 1 219 . 1 1 35 35 LEU HB2 H 1 1.773 0.000 . 2 . . . . 35 LEU HB2 . 7123 1 220 . 1 1 35 35 LEU HB3 H 1 1.554 0.000 . 2 . . . . 35 LEU HB3 . 7123 1 221 . 1 1 35 35 LEU HG H 1 1.256 0.000 . 1 . . . . 35 LEU HG . 7123 1 222 . 1 1 35 35 LEU HD11 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1 223 . 1 1 35 35 LEU HD12 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1 224 . 1 1 35 35 LEU HD13 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1 225 . 1 1 35 35 LEU HD21 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1 226 . 1 1 35 35 LEU HD22 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1 227 . 1 1 35 35 LEU HD23 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1 228 . 1 1 36 36 CYS H H 1 8.629 0.000 . 1 . . . . 36 CYS H . 7123 1 229 . 1 1 36 36 CYS HA H 1 4.892 0.000 . 1 . . . . 36 CYS HA . 7123 1 230 . 1 1 36 36 CYS HB2 H 1 2.840 0.000 . 2 . . . . 36 CYS HB2 . 7123 1 231 . 1 1 36 36 CYS HB3 H 1 2.695 0.000 . 2 . . . . 36 CYS HB3 . 7123 1 232 . 1 1 37 37 LEU H H 1 8.077 0.000 . 1 . . . . 37 LEU H . 7123 1 233 . 1 1 37 37 LEU HA H 1 4.946 0.000 . 1 . . . . 37 LEU HA . 7123 1 234 . 1 1 37 37 LEU HB2 H 1 1.460 0.000 . 1 . . . . 37 LEU HB2 . 7123 1 235 . 1 1 37 37 LEU HB3 H 1 1.460 0.000 . 1 . . . . 37 LEU HB3 . 7123 1 236 . 1 1 38 38 LYS H H 1 8.007 0.000 . 1 . . . . 38 LYS H . 7123 1 237 . 1 1 38 38 LYS HA H 1 3.456 0.000 . 1 . . . . 38 LYS HA . 7123 1 238 . 1 1 38 38 LYS HB2 H 1 1.138 0.000 . 2 . . . . 38 LYS HB2 . 7123 1 239 . 1 1 38 38 LYS HB3 H 1 1.066 0.000 . 2 . . . . 38 LYS HB3 . 7123 1 240 . 1 1 38 38 LYS HG2 H 1 0.713 0.000 . 2 . . . . 38 LYS HG2 . 7123 1 241 . 1 1 38 38 LYS HG3 H 1 0.212 0.000 . 2 . . . . 38 LYS HG3 . 7123 1 242 . 1 1 38 38 LYS HD2 H 1 0.306 0.000 . 1 . . . . 38 LYS HD2 . 7123 1 243 . 1 1 38 38 LYS HD3 H 1 0.306 0.000 . 1 . . . . 38 LYS HD3 . 7123 1 244 . 1 1 39 39 ILE H H 1 7.787 0.000 . 1 . . . . 39 ILE H . 7123 1 245 . 1 1 39 39 ILE HA H 1 4.014 0.000 . 1 . . . . 39 ILE HA . 7123 1 246 . 1 1 39 39 ILE HB H 1 1.735 0.000 . 1 . . . . 39 ILE HB . 7123 1 247 . 1 1 39 39 ILE HG12 H 1 0.717 0.000 . 1 . . . . 39 ILE HG12 . 7123 1 248 . 1 1 39 39 ILE HG13 H 1 0.717 0.000 . 1 . . . . 39 ILE HG13 . 7123 1 249 . 1 1 39 39 ILE HG21 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1 250 . 1 1 39 39 ILE HG22 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1 251 . 1 1 39 39 ILE HG23 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1 stop_ save_