################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 2 '2D NOESY' . . . 34028 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 34028 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.Ambiguity_set_ID _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 VAL HA H 1 3.630 0.002 . . . . . . A 1 VAL HA . 34028 1 2 . 1 1 1 1 VAL HB H 1 2.011 0.002 . . . . . . A 1 VAL HB . 34028 1 3 . 1 1 1 1 VAL HG11 H 1 0.825 0.008 . . . . . . A 1 VAL HG11 . 34028 1 4 . 1 1 1 1 VAL HG12 H 1 0.825 0.008 . . . . . . A 1 VAL HG12 . 34028 1 5 . 1 1 1 1 VAL HG13 H 1 0.825 0.008 . . . . . . A 1 VAL HG13 . 34028 1 6 . 1 1 1 1 VAL HG21 H 1 0.827 0.007 . . . . . . A 1 VAL HG21 . 34028 1 7 . 1 1 1 1 VAL HG22 H 1 0.827 0.007 . . . . . . A 1 VAL HG22 . 34028 1 8 . 1 1 1 1 VAL HG23 H 1 0.827 0.007 . . . . . . A 1 VAL HG23 . 34028 1 9 . 1 1 2 2 MET H H 1 8.071 0.000 . . . . . . A 2 MET H . 34028 1 10 . 1 1 2 2 MET HA H 1 4.341 0.000 . . . . . . A 2 MET HA . 34028 1 11 . 1 1 2 2 MET HB2 H 1 1.873 0.001 . . . . . . A 2 MET HB2 . 34028 1 12 . 1 1 2 2 MET HB3 H 1 1.858 0.000 . . . . . . A 2 MET HB3 . 34028 1 13 . 1 1 2 2 MET HG2 H 1 2.405 0.000 . . . . . . A 2 MET HG2 . 34028 1 14 . 1 1 2 2 MET HG3 H 1 2.405 0.000 . . . . . . A 2 MET HG3 . 34028 1 15 . 1 1 3 3 LYS H H 1 8.416 0.001 . . . . . . A 3 LYS H . 34028 1 16 . 1 1 3 3 LYS HA H 1 4.111 0.001 . . . . . . A 3 LYS HA . 34028 1 17 . 1 1 3 3 LYS HB2 H 1 1.732 0.001 . . . . . . A 3 LYS HB2 . 34028 1 18 . 1 1 3 3 LYS HB3 H 1 1.732 0.001 . . . . . . A 3 LYS HB3 . 34028 1 19 . 1 1 3 3 LYS HG2 H 1 1.245 0.000 . . . . . . A 3 LYS HG2 . 34028 1 20 . 1 1 3 3 LYS HG3 H 1 1.293 0.000 . . . . . . A 3 LYS HG3 . 34028 1 21 . 1 1 3 3 LYS HD2 H 1 1.617 0.004 . . . . . . A 3 LYS HD2 . 34028 1 22 . 1 1 3 3 LYS HD3 H 1 1.566 0.001 . . . . . . A 3 LYS HD3 . 34028 1 23 . 1 1 3 3 LYS HE3 H 1 2.809 0.002 . . . . . . A 3 LYS HE3 . 34028 1 24 . 1 1 4 4 LYS H H 1 8.261 0.000 . . . . . . A 4 LYS H . 34028 1 25 . 1 1 4 4 LYS HA H 1 4.085 0.001 . . . . . . A 4 LYS HA . 34028 1 26 . 1 1 4 4 LYS HB2 H 1 1.560 0.000 . . . . . . A 4 LYS HB2 . 34028 1 27 . 1 1 4 4 LYS HB3 H 1 1.560 0.000 . . . . . . A 4 LYS HB3 . 34028 1 28 . 1 1 4 4 LYS HG2 H 1 1.267 0.000 . . . . . . A 4 LYS HG2 . 34028 1 29 . 1 1 4 4 LYS HG3 H 1 1.216 0.000 . . . . . . A 4 LYS HG3 . 34028 1 30 . 1 1 4 4 LYS HD2 H 1 1.620 0.000 . . . . . . A 4 LYS HD2 . 34028 1 31 . 1 1 4 4 LYS HD3 H 1 1.620 0.000 . . . . . . A 4 LYS HD3 . 34028 1 32 . 1 1 4 4 LYS HE3 H 1 2.813 0.000 . . . . . . A 4 LYS HE3 . 34028 1 33 . 1 1 5 5 ARG H H 1 8.352 0.000 . . . . . . A 5 ARG H . 34028 1 34 . 1 1 5 5 ARG HA H 1 4.122 0.001 . . . . . . A 5 ARG HA . 34028 1 35 . 1 1 5 5 ARG HB2 H 1 1.550 0.001 . . . . . . A 5 ARG HB2 . 34028 1 36 . 1 1 5 5 ARG HB3 H 1 1.648 0.001 . . . . . . A 5 ARG HB3 . 34028 1 37 . 1 1 5 5 ARG HG2 H 1 1.416 0.001 . . . . . . A 5 ARG HG2 . 34028 1 38 . 1 1 5 5 ARG HG3 H 1 1.470 0.001 . . . . . . A 5 ARG HG3 . 34028 1 39 . 1 1 5 5 ARG HD2 H 1 3.022 0.001 . . . . . . A 5 ARG HD2 . 34028 1 40 . 1 1 5 5 ARG HD3 H 1 3.022 0.001 . . . . . . A 5 ARG HD3 . 34028 1 41 . 1 1 6 6 THR H H 1 7.954 0.001 . . . . . . A 6 THR H . 34028 1 42 . 1 1 6 6 THR HA H 1 3.987 0.001 . . . . . . A 6 THR HA . 34028 1 43 . 1 1 6 6 THR HB H 1 3.707 0.002 . . . . . . A 6 THR HB . 34028 1 44 . 1 1 6 6 THR HG21 H 1 0.752 0.001 . . . . . . A 6 THR HG21 . 34028 1 45 . 1 1 6 6 THR HG22 H 1 0.752 0.001 . . . . . . A 6 THR HG22 . 34028 1 46 . 1 1 6 6 THR HG23 H 1 0.752 0.001 . . . . . . A 6 THR HG23 . 34028 1 47 . 1 1 7 7 TYR H H 1 7.887 0.001 . . . . . . A 7 TYR H . 34028 1 48 . 1 1 7 7 TYR HA H 1 4.803 0.001 . . . . . . A 7 TYR HA . 34028 1 49 . 1 1 7 7 TYR HB2 H 1 2.436 0.001 . . . . . . A 7 TYR HB2 . 34028 1 50 . 1 1 7 7 TYR HB3 H 1 2.850 0.001 . . . . . . A 7 TYR HB3 . 34028 1 51 . 1 1 7 7 TYR HD1 H 1 6.700 0.001 . . . . . . A 7 TYR HD1 . 34028 1 52 . 1 1 7 7 TYR HD2 H 1 6.700 0.001 . . . . . . A 7 TYR HD2 . 34028 1 53 . 1 1 7 7 TYR HE1 H 1 6.518 0.001 . . . . . . A 7 TYR HE1 . 34028 1 54 . 1 1 7 7 TYR HE2 H 1 6.518 0.001 . . . . . . A 7 TYR HE2 . 34028 1 55 . 1 1 8 8 CYS H H 1 8.337 0.000 . . . . . . A 8 CYS H . 34028 1 56 . 1 1 8 8 CYS HA H 1 3.623 0.001 . . . . . . A 8 CYS HA . 34028 1 57 . 1 1 8 8 CYS HB2 H 1 2.906 0.002 . . . . . . A 8 CYS HB2 . 34028 1 58 . 1 1 8 8 CYS HB3 H 1 2.774 0.001 . . . . . . A 8 CYS HB3 . 34028 1 59 . 1 1 9 9 THR H H 1 8.229 0.001 . . . . . . A 9 THR H . 34028 1 60 . 1 1 9 9 THR HA H 1 3.713 0.001 . . . . . . A 9 THR HA . 34028 1 61 . 1 1 9 9 THR HB H 1 3.469 0.001 . . . . . . A 9 THR HB . 34028 1 62 . 1 1 9 9 THR HG21 H 1 0.660 0.001 . . . . . . A 9 THR HG21 . 34028 1 63 . 1 1 9 9 THR HG22 H 1 0.660 0.001 . . . . . . A 9 THR HG22 . 34028 1 64 . 1 1 9 9 THR HG23 H 1 0.660 0.001 . . . . . . A 9 THR HG23 . 34028 1 65 . 1 1 10 10 TYR H H 1 8.677 0.001 . . . . . . A 10 TYR H . 34028 1 66 . 1 1 10 10 TYR HA H 1 4.162 0.000 . . . . . . A 10 TYR HA . 34028 1 67 . 1 1 10 10 TYR HB2 H 1 1.183 0.001 . . . . . . A 10 TYR HB2 . 34028 1 68 . 1 1 10 10 TYR HB3 H 1 2.244 0.001 . . . . . . A 10 TYR HB3 . 34028 1 69 . 1 1 10 10 TYR HD1 H 1 6.882 0.002 . . . . . . A 10 TYR HD1 . 34028 1 70 . 1 1 10 10 TYR HD2 H 1 6.882 0.002 . . . . . . A 10 TYR HD2 . 34028 1 71 . 1 1 10 10 TYR HE1 H 1 6.639 0.001 . . . . . . A 10 TYR HE1 . 34028 1 72 . 1 1 10 10 TYR HE2 H 1 6.639 0.001 . . . . . . A 10 TYR HE2 . 34028 1 73 . 1 1 11 11 CYS H H 1 7.003 0.001 . . . . . . A 11 CYS H . 34028 1 74 . 1 1 11 11 CYS HA H 1 4.317 0.000 . . . . . . A 11 CYS HA . 34028 1 75 . 1 1 11 11 CYS HB2 H 1 2.546 0.000 . . . . . . A 11 CYS HB2 . 34028 1 76 . 1 1 11 11 CYS HB3 H 1 2.807 0.001 . . . . . . A 11 CYS HB3 . 34028 1 77 . 1 1 12 12 PRO HA H 1 4.329 0.001 . . . . . . A 12 PRO HA . 34028 1 78 . 1 1 12 12 PRO HB2 H 1 1.776 0.000 . . . . . . A 12 PRO HB2 . 34028 1 79 . 1 1 12 12 PRO HB3 H 1 2.302 0.001 . . . . . . A 12 PRO HB3 . 34028 1 80 . 1 1 12 12 PRO HG2 H 1 2.028 0.001 . . . . . . A 12 PRO HG2 . 34028 1 81 . 1 1 12 12 PRO HG3 H 1 2.035 0.001 . . . . . . A 12 PRO HG3 . 34028 1 82 . 1 1 12 12 PRO HD2 H 1 3.481 0.001 . . . . . . A 12 PRO HD2 . 34028 1 83 . 1 1 12 12 PRO HD3 H 1 3.880 0.001 . . . . . . A 12 PRO HD3 . 34028 1 84 . 1 1 13 13 SER H H 1 8.863 0.001 . . . . . . A 13 SER H . 34028 1 85 . 1 1 13 13 SER HA H 1 3.795 0.002 . . . . . . A 13 SER HA . 34028 1 86 . 1 1 13 13 SER HB2 H 1 3.688 0.001 . . . . . . A 13 SER HB2 . 34028 1 87 . 1 1 13 13 SER HB3 H 1 3.737 0.000 . . . . . . A 13 SER HB3 . 34028 1 88 . 1 1 14 14 LYS H H 1 8.246 0.001 . . . . . . A 14 LYS H . 34028 1 89 . 1 1 14 14 LYS HA H 1 3.908 0.001 . . . . . . A 14 LYS HA . 34028 1 90 . 1 1 14 14 LYS HB2 H 1 1.485 0.001 . . . . . . A 14 LYS HB2 . 34028 1 91 . 1 1 14 14 LYS HB3 H 1 1.715 0.001 . . . . . . A 14 LYS HB3 . 34028 1 92 . 1 1 14 14 LYS HG2 H 1 1.189 0.001 . . . . . . A 14 LYS HG2 . 34028 1 93 . 1 1 14 14 LYS HG3 H 1 1.189 0.001 . . . . . . A 14 LYS HG3 . 34028 1 94 . 1 1 14 14 LYS HD2 H 1 1.593 0.000 . . . . . . A 14 LYS HD2 . 34028 1 95 . 1 1 14 14 LYS HD3 H 1 1.593 0.000 . . . . . . A 14 LYS HD3 . 34028 1 96 . 1 1 14 14 LYS HE2 H 1 2.783 0.000 . . . . . . A 14 LYS HE2 . 34028 1 97 . 1 1 14 14 LYS HE3 H 1 2.802 0.000 . . . . . . A 14 LYS HE3 . 34028 1 98 . 1 1 15 15 ILE H H 1 6.952 0.001 . . . . . . A 15 ILE H . 34028 1 99 . 1 1 15 15 ILE HA H 1 4.148 0.001 . . . . . . A 15 ILE HA . 34028 1 100 . 1 1 15 15 ILE HB H 1 1.944 0.001 . . . . . . A 15 ILE HB . 34028 1 101 . 1 1 15 15 ILE HG12 H 1 1.169 0.001 . . . . . . A 15 ILE HG12 . 34028 1 102 . 1 1 15 15 ILE HG13 H 1 1.303 0.000 . . . . . . A 15 ILE HG13 . 34028 1 103 . 1 1 15 15 ILE HG21 H 1 0.874 0.001 . . . . . . A 15 ILE HG21 . 34028 1 104 . 1 1 15 15 ILE HG22 H 1 0.874 0.001 . . . . . . A 15 ILE HG22 . 34028 1 105 . 1 1 15 15 ILE HG23 H 1 0.874 0.001 . . . . . . A 15 ILE HG23 . 34028 1 106 . 1 1 15 15 ILE HD11 H 1 0.772 0.001 . . . . . . A 15 ILE HD11 . 34028 1 107 . 1 1 15 15 ILE HD12 H 1 0.772 0.001 . . . . . . A 15 ILE HD12 . 34028 1 108 . 1 1 15 15 ILE HD13 H 1 0.772 0.001 . . . . . . A 15 ILE HD13 . 34028 1 109 . 1 1 16 16 ARG H H 1 7.447 0.001 . . . . . . A 16 ARG H . 34028 1 110 . 1 1 16 16 ARG HA H 1 3.013 0.001 . . . . . . A 16 ARG HA . 34028 1 111 . 1 1 16 16 ARG HB2 H 1 1.228 0.001 . . . . . . A 16 ARG HB2 . 34028 1 112 . 1 1 16 16 ARG HB3 H 1 1.300 0.001 . . . . . . A 16 ARG HB3 . 34028 1 113 . 1 1 16 16 ARG HG2 H 1 1.022 0.003 . . . . . . A 16 ARG HG2 . 34028 1 114 . 1 1 16 16 ARG HG3 H 1 1.024 0.002 . . . . . . A 16 ARG HG3 . 34028 1 115 . 1 1 16 16 ARG HD2 H 1 2.755 0.000 . . . . . . A 16 ARG HD2 . 34028 1 116 . 1 1 16 16 ARG HD3 H 1 2.809 0.001 . . . . . . A 16 ARG HD3 . 34028 1 117 . 1 1 17 17 ARG H H 1 8.722 0.000 . . . . . . A 17 ARG H . 34028 1 118 . 1 1 17 17 ARG HA H 1 4.291 0.001 . . . . . . A 17 ARG HA . 34028 1 119 . 1 1 17 17 ARG HB2 H 1 1.912 0.001 . . . . . . A 17 ARG HB2 . 34028 1 120 . 1 1 17 17 ARG HB3 H 1 2.075 0.002 . . . . . . A 17 ARG HB3 . 34028 1 121 . 1 1 17 17 ARG HG2 H 1 1.476 0.002 . . . . . . A 17 ARG HG2 . 34028 1 122 . 1 1 17 17 ARG HG3 H 1 1.563 0.001 . . . . . . A 17 ARG HG3 . 34028 1 123 . 1 1 17 17 ARG HD2 H 1 3.186 0.001 . . . . . . A 17 ARG HD2 . 34028 1 124 . 1 1 17 17 ARG HD3 H 1 3.536 0.001 . . . . . . A 17 ARG HD3 . 34028 1 125 . 1 1 18 18 LYS H H 1 8.702 0.000 . . . . . . A 18 LYS H . 34028 1 126 . 1 1 18 18 LYS HA H 1 4.043 0.001 . . . . . . A 18 LYS HA . 34028 1 127 . 1 1 18 18 LYS HB2 H 1 1.619 0.000 . . . . . . A 18 LYS HB2 . 34028 1 128 . 1 1 18 18 LYS HB3 H 1 1.619 0.000 . . . . . . A 18 LYS HB3 . 34028 1 129 . 1 1 18 18 LYS HG2 H 1 1.158 0.001 . . . . . . A 18 LYS HG2 . 34028 1 130 . 1 1 18 18 LYS HG3 H 1 1.158 0.001 . . . . . . A 18 LYS HG3 . 34028 1 131 . 1 1 18 18 LYS HD2 H 1 1.479 0.001 . . . . . . A 18 LYS HD2 . 34028 1 132 . 1 1 18 18 LYS HD3 H 1 1.479 0.001 . . . . . . A 18 LYS HD3 . 34028 1 133 . 1 1 18 18 LYS HE2 H 1 2.850 0.001 . . . . . . A 18 LYS HE2 . 34028 1 134 . 1 1 18 18 LYS HE3 H 1 2.850 0.001 . . . . . . A 18 LYS HE3 . 34028 1 135 . 1 1 19 19 ALA H H 1 8.150 0.000 . . . . . . A 19 ALA H . 34028 1 136 . 1 1 19 19 ALA HA H 1 3.928 0.000 . . . . . . A 19 ALA HA . 34028 1 137 . 1 1 19 19 ALA HB1 H 1 1.007 0.001 . . . . . . A 19 ALA HB1 . 34028 1 138 . 1 1 19 19 ALA HB2 H 1 1.007 0.001 . . . . . . A 19 ALA HB2 . 34028 1 139 . 1 1 19 19 ALA HB3 H 1 1.007 0.001 . . . . . . A 19 ALA HB3 . 34028 1 140 . 1 1 20 20 ASN H H 1 8.411 0.000 . . . . . . A 20 ASN H . 34028 1 141 . 1 1 20 20 ASN HA H 1 4.700 0.001 . . . . . . A 20 ASN HA . 34028 1 142 . 1 1 20 20 ASN HB2 H 1 2.532 0.001 . . . . . . A 20 ASN HB2 . 34028 1 143 . 1 1 20 20 ASN HB3 H 1 2.771 0.001 . . . . . . A 20 ASN HB3 . 34028 1 144 . 1 1 20 20 ASN HD21 H 1 7.412 0.001 . . . . . . A 20 ASN HD21 . 34028 1 145 . 1 1 20 20 ASN HD22 H 1 6.280 0.001 . . . . . . A 20 ASN HD22 . 34028 1 146 . 1 1 21 21 ALA H H 1 7.881 0.002 . . . . . . A 21 ALA H . 34028 1 147 . 1 1 21 21 ALA HA H 1 4.410 0.000 . . . . . . A 21 ALA HA . 34028 1 148 . 1 1 21 21 ALA HB1 H 1 1.071 0.001 . . . . . . A 21 ALA HB1 . 34028 1 149 . 1 1 21 21 ALA HB2 H 1 1.071 0.001 . . . . . . A 21 ALA HB2 . 34028 1 150 . 1 1 21 21 ALA HB3 H 1 1.071 0.001 . . . . . . A 21 ALA HB3 . 34028 1 151 . 1 1 22 22 SER H H 1 8.144 0.000 . . . . . . A 22 SER H . 34028 1 152 . 1 1 22 22 SER HA H 1 4.888 0.001 . . . . . . A 22 SER HA . 34028 1 153 . 1 1 22 22 SER HB2 H 1 4.043 0.000 . . . . . . A 22 SER HB2 . 34028 1 154 . 1 1 22 22 SER HB3 H 1 3.236 0.002 . . . . . . A 22 SER HB3 . 34028 1 155 . 1 1 23 23 CYS H H 1 8.667 0.001 . . . . . . A 23 CYS H . 34028 1 156 . 1 1 23 23 CYS HA H 1 3.586 0.001 . . . . . . A 23 CYS HA . 34028 1 157 . 1 1 23 23 CYS HB2 H 1 3.348 0.001 . . . . . . A 23 CYS HB2 . 34028 1 158 . 1 1 23 23 CYS HB3 H 1 2.624 0.001 . . . . . . A 23 CYS HB3 . 34028 1 159 . 1 1 24 24 LYS H H 1 9.063 0.001 . . . . . . A 24 LYS H . 34028 1 160 . 1 1 24 24 LYS HA H 1 3.936 0.001 . . . . . . A 24 LYS HA . 34028 1 161 . 1 1 24 24 LYS HB2 H 1 1.958 0.002 . . . . . . A 24 LYS HB2 . 34028 1 162 . 1 1 24 24 LYS HB3 H 1 1.958 0.002 . . . . . . A 24 LYS HB3 . 34028 1 163 . 1 1 24 24 LYS HG2 H 1 1.441 0.001 . . . . . . A 24 LYS HG2 . 34028 1 164 . 1 1 24 24 LYS HG3 H 1 1.442 0.001 . . . . . . A 24 LYS HG3 . 34028 1 165 . 1 1 24 24 LYS HD2 H 1 1.679 0.001 . . . . . . A 24 LYS HD2 . 34028 1 166 . 1 1 24 24 LYS HD3 H 1 1.679 0.001 . . . . . . A 24 LYS HD3 . 34028 1 167 . 1 1 24 24 LYS HE2 H 1 2.732 0.000 . . . . . . A 24 LYS HE2 . 34028 1 168 . 1 1 24 24 LYS HE3 H 1 2.682 0.000 . . . . . . A 24 LYS HE3 . 34028 1 169 . 1 1 25 25 LYS H H 1 9.024 0.001 . . . . . . A 25 LYS H . 34028 1 170 . 1 1 25 25 LYS HA H 1 4.443 0.001 . . . . . . A 25 LYS HA . 34028 1 171 . 1 1 25 25 LYS HB2 H 1 1.692 0.000 . . . . . . A 25 LYS HB2 . 34028 1 172 . 1 1 25 25 LYS HB3 H 1 1.731 0.000 . . . . . . A 25 LYS HB3 . 34028 1 173 . 1 1 25 25 LYS HG2 H 1 1.343 0.001 . . . . . . A 25 LYS HG2 . 34028 1 174 . 1 1 25 25 LYS HG3 H 1 1.248 0.000 . . . . . . A 25 LYS HG3 . 34028 1 175 . 1 1 25 25 LYS HD2 H 1 1.436 0.000 . . . . . . A 25 LYS HD2 . 34028 1 176 . 1 1 25 25 LYS HD3 H 1 1.501 0.001 . . . . . . A 25 LYS HD3 . 34028 1 177 . 1 1 25 25 LYS HE2 H 1 2.373 0.001 . . . . . . A 25 LYS HE2 . 34028 1 178 . 1 1 25 25 LYS HE3 H 1 2.303 0.001 . . . . . . A 25 LYS HE3 . 34028 1 179 . 1 1 26 26 CYS H H 1 8.275 0.000 . . . . . . A 26 CYS H . 34028 1 180 . 1 1 26 26 CYS HA H 1 4.716 0.001 . . . . . . A 26 CYS HA . 34028 1 181 . 1 1 26 26 CYS HB2 H 1 3.040 0.002 . . . . . . A 26 CYS HB2 . 34028 1 182 . 1 1 26 26 CYS HB3 H 1 2.520 0.001 . . . . . . A 26 CYS HB3 . 34028 1 183 . 1 1 27 27 LYS H H 1 7.779 0.001 . . . . . . A 27 LYS H . 34028 1 184 . 1 1 27 27 LYS HA H 1 4.043 0.001 . . . . . . A 27 LYS HA . 34028 1 185 . 1 1 27 27 LYS HB2 H 1 1.860 0.000 . . . . . . A 27 LYS HB2 . 34028 1 186 . 1 1 27 27 LYS HB3 H 1 2.086 0.001 . . . . . . A 27 LYS HB3 . 34028 1 187 . 1 1 27 27 LYS HG2 H 1 1.125 0.000 . . . . . . A 27 LYS HG2 . 34028 1 188 . 1 1 27 27 LYS HG3 H 1 1.179 0.000 . . . . . . A 27 LYS HG3 . 34028 1 189 . 1 1 27 27 LYS HD2 H 1 1.612 0.000 . . . . . . A 27 LYS HD2 . 34028 1 190 . 1 1 27 27 LYS HD3 H 1 1.499 0.001 . . . . . . A 27 LYS HD3 . 34028 1 191 . 1 1 27 27 LYS HE2 H 1 2.812 0.000 . . . . . . A 27 LYS HE2 . 34028 1 192 . 1 1 27 27 LYS HE3 H 1 2.812 0.000 . . . . . . A 27 LYS HE3 . 34028 1 193 . 1 1 28 28 LYS H H 1 8.441 0.001 . . . . . . A 28 LYS H . 34028 1 194 . 1 1 28 28 LYS HA H 1 4.252 0.001 . . . . . . A 28 LYS HA . 34028 1 195 . 1 1 28 28 LYS HB2 H 1 1.737 0.010 . . . . . . A 28 LYS HB2 . 34028 1 196 . 1 1 28 28 LYS HB3 H 1 1.722 0.000 . . . . . . A 28 LYS HB3 . 34028 1 197 . 1 1 28 28 LYS HG2 H 1 1.304 0.000 . . . . . . A 28 LYS HG2 . 34028 1 198 . 1 1 28 28 LYS HG3 H 1 1.304 0.000 . . . . . . A 28 LYS HG3 . 34028 1 199 . 1 1 28 28 LYS HD2 H 1 1.612 0.001 . . . . . . A 28 LYS HD2 . 34028 1 200 . 1 1 28 28 LYS HD3 H 1 1.612 0.001 . . . . . . A 28 LYS HD3 . 34028 1 201 . 1 1 28 28 LYS HE3 H 1 2.822 0.001 . . . . . . A 28 LYS HE3 . 34028 1 202 . 1 1 29 29 VAL H H 1 7.864 0.001 . . . . . . A 29 VAL H . 34028 1 203 . 1 1 29 29 VAL HA H 1 4.600 0.001 . . . . . . A 29 VAL HA . 34028 1 204 . 1 1 29 29 VAL HB H 1 1.790 0.001 . . . . . . A 29 VAL HB . 34028 1 205 . 1 1 29 29 VAL HG11 H 1 0.710 0.001 . . . . . . A 29 VAL HG11 . 34028 1 206 . 1 1 29 29 VAL HG12 H 1 0.710 0.001 . . . . . . A 29 VAL HG12 . 34028 1 207 . 1 1 29 29 VAL HG13 H 1 0.710 0.001 . . . . . . A 29 VAL HG13 . 34028 1 208 . 1 1 29 29 VAL HG21 H 1 0.709 0.000 . . . . . . A 29 VAL HG21 . 34028 1 209 . 1 1 29 29 VAL HG22 H 1 0.709 0.000 . . . . . . A 29 VAL HG22 . 34028 1 210 . 1 1 29 29 VAL HG23 H 1 0.709 0.000 . . . . . . A 29 VAL HG23 . 34028 1 211 . 1 1 30 30 ILE H H 1 8.556 0.001 . . . . . . A 30 ILE H . 34028 1 212 . 1 1 30 30 ILE HA H 1 5.823 0.002 . . . . . . A 30 ILE HA . 34028 1 213 . 1 1 30 30 ILE HB H 1 1.988 0.001 . . . . . . A 30 ILE HB . 34028 1 214 . 1 1 30 30 ILE HG12 H 1 1.164 0.001 . . . . . . A 30 ILE HG12 . 34028 1 215 . 1 1 30 30 ILE HG13 H 1 0.818 0.001 . . . . . . A 30 ILE HG13 . 34028 1 216 . 1 1 30 30 ILE HG21 H 1 0.977 0.001 . . . . . . A 30 ILE HG21 . 34028 1 217 . 1 1 30 30 ILE HG22 H 1 0.977 0.001 . . . . . . A 30 ILE HG22 . 34028 1 218 . 1 1 30 30 ILE HG23 H 1 0.977 0.001 . . . . . . A 30 ILE HG23 . 34028 1 219 . 1 1 30 30 ILE HD11 H 1 0.388 0.001 . . . . . . A 30 ILE HD11 . 34028 1 220 . 1 1 30 30 ILE HD12 H 1 0.388 0.001 . . . . . . A 30 ILE HD12 . 34028 1 221 . 1 1 30 30 ILE HD13 H 1 0.388 0.001 . . . . . . A 30 ILE HD13 . 34028 1 222 . 1 1 31 31 CYS H H 1 8.897 0.001 . . . . . . A 31 CYS H . 34028 1 223 . 1 1 31 31 CYS HA H 1 4.835 0.001 . . . . . . A 31 CYS HA . 34028 1 224 . 1 1 31 31 CYS HB2 H 1 3.430 0.001 . . . . . . A 31 CYS HB2 . 34028 1 225 . 1 1 31 31 CYS HB3 H 1 2.649 0.001 . . . . . . A 31 CYS HB3 . 34028 1 226 . 1 1 32 32 ARG H H 1 8.216 0.000 . . . . . . A 32 ARG H . 34028 1 227 . 1 1 32 32 ARG HA H 1 4.076 0.001 . . . . . . A 32 ARG HA . 34028 1 228 . 1 1 32 32 ARG HB2 H 1 1.735 0.001 . . . . . . A 32 ARG HB2 . 34028 1 229 . 1 1 32 32 ARG HB3 H 1 1.685 0.001 . . . . . . A 32 ARG HB3 . 34028 1 230 . 1 1 32 32 ARG HG2 H 1 1.577 0.001 . . . . . . A 32 ARG HG2 . 34028 1 231 . 1 1 32 32 ARG HG3 H 1 1.577 0.001 . . . . . . A 32 ARG HG3 . 34028 1 232 . 1 1 32 32 ARG HD2 H 1 3.069 0.001 . . . . . . A 32 ARG HD2 . 34028 1 233 . 1 1 32 32 ARG HD3 H 1 3.069 0.001 . . . . . . A 32 ARG HD3 . 34028 1 234 . 1 1 32 32 ARG HE H 1 7.140 0.000 . . . . . . A 32 ARG HE . 34028 1 235 . 1 1 33 33 GLU H H 1 8.105 0.001 . . . . . . A 33 GLU H . 34028 1 236 . 1 1 33 33 GLU HA H 1 3.781 0.001 . . . . . . A 33 GLU HA . 34028 1 237 . 1 1 33 33 GLU HB2 H 1 1.609 0.000 . . . . . . A 33 GLU HB2 . 34028 1 238 . 1 1 33 33 GLU HB3 H 1 1.407 0.001 . . . . . . A 33 GLU HB3 . 34028 1 239 . 1 1 33 33 GLU HG2 H 1 1.905 0.000 . . . . . . A 33 GLU HG2 . 34028 1 240 . 1 1 33 33 GLU HG3 H 1 1.905 0.000 . . . . . . A 33 GLU HG3 . 34028 1 241 . 1 1 34 34 HIS H H 1 7.765 0.001 . . . . . . A 34 HIS H . 34028 1 242 . 1 1 34 34 HIS HA H 1 4.349 0.001 . . . . . . A 34 HIS HA . 34028 1 243 . 1 1 34 34 HIS HB2 H 1 2.970 0.001 . . . . . . A 34 HIS HB2 . 34028 1 244 . 1 1 34 34 HIS HB3 H 1 3.376 0.000 . . . . . . A 34 HIS HB3 . 34028 1 245 . 1 1 34 34 HIS HD2 H 1 7.069 0.000 . . . . . . A 34 HIS HD2 . 34028 1 246 . 1 1 34 34 HIS HE1 H 1 7.958 0.001 . . . . . . A 34 HIS HE1 . 34028 1 247 . 1 1 35 35 ASN H H 1 6.901 0.001 . . . . . . A 35 ASN H . 34028 1 248 . 1 1 35 35 ASN HB2 H 1 3.096 0.001 . . . . . . A 35 ASN HB2 . 34028 1 249 . 1 1 35 35 ASN HB3 H 1 2.399 0.001 . . . . . . A 35 ASN HB3 . 34028 1 250 . 1 1 35 35 ASN HD21 H 1 6.828 0.004 . . . . . . A 35 ASN HD21 . 34028 1 251 . 1 1 35 35 ASN HD22 H 1 7.502 0.006 . . . . . . A 35 ASN HD22 . 34028 1 252 . 1 1 36 36 ILE H H 1 9.251 0.001 . . . . . . A 36 ILE H . 34028 1 253 . 1 1 36 36 ILE HA H 1 3.768 0.004 . . . . . . A 36 ILE HA . 34028 1 254 . 1 1 36 36 ILE HB H 1 1.440 0.002 . . . . . . A 36 ILE HB . 34028 1 255 . 1 1 36 36 ILE HG12 H 1 1.027 0.001 . . . . . . A 36 ILE HG12 . 34028 1 256 . 1 1 36 36 ILE HG13 H 1 0.973 0.002 . . . . . . A 36 ILE HG13 . 34028 1 257 . 1 1 36 36 ILE HG21 H 1 0.541 0.002 . . . . . . A 36 ILE HG21 . 34028 1 258 . 1 1 36 36 ILE HG22 H 1 0.541 0.002 . . . . . . A 36 ILE HG22 . 34028 1 259 . 1 1 36 36 ILE HG23 H 1 0.541 0.002 . . . . . . A 36 ILE HG23 . 34028 1 260 . 1 1 36 36 ILE HD11 H 1 0.449 0.002 . . . . . . A 36 ILE HD11 . 34028 1 261 . 1 1 36 36 ILE HD12 H 1 0.449 0.002 . . . . . . A 36 ILE HD12 . 34028 1 262 . 1 1 36 36 ILE HD13 H 1 0.449 0.002 . . . . . . A 36 ILE HD13 . 34028 1 263 . 1 1 37 37 ASP H H 1 8.063 0.001 . . . . . . A 37 ASP H . 34028 1 264 . 1 1 37 37 ASP HA H 1 5.006 0.004 . . . . . . A 37 ASP HA . 34028 1 265 . 1 1 37 37 ASP HB2 H 1 2.133 0.000 . . . . . . A 37 ASP HB2 . 34028 1 266 . 1 1 37 37 ASP HB3 H 1 2.657 0.001 . . . . . . A 37 ASP HB3 . 34028 1 267 . 1 1 38 38 MET H H 1 7.530 0.001 . . . . . . A 38 MET H . 34028 1 268 . 1 1 38 38 MET HA H 1 5.585 0.001 . . . . . . A 38 MET HA . 34028 1 269 . 1 1 38 38 MET HB2 H 1 1.898 0.001 . . . . . . A 38 MET HB2 . 34028 1 270 . 1 1 38 38 MET HB3 H 1 1.800 0.002 . . . . . . A 38 MET HB3 . 34028 1 271 . 1 1 38 38 MET HG2 H 1 2.549 0.001 . . . . . . A 38 MET HG2 . 34028 1 272 . 1 1 38 38 MET HG3 H 1 2.546 0.000 . . . . . . A 38 MET HG3 . 34028 1 273 . 1 1 38 38 MET HE1 H 1 2.734 0.001 . . . . . . A 38 MET HE1 . 34028 1 274 . 1 1 38 38 MET HE2 H 1 2.734 0.001 . . . . . . A 38 MET HE2 . 34028 1 275 . 1 1 38 38 MET HE3 H 1 2.734 0.001 . . . . . . A 38 MET HE3 . 34028 1 276 . 1 1 39 39 CYS H H 1 9.462 0.002 . . . . . . A 39 CYS H . 34028 1 277 . 1 1 39 39 CYS HA H 1 5.429 0.002 . . . . . . A 39 CYS HA . 34028 1 278 . 1 1 39 39 CYS HB2 H 1 3.364 0.001 . . . . . . A 39 CYS HB2 . 34028 1 279 . 1 1 39 39 CYS HB3 H 1 2.785 0.001 . . . . . . A 39 CYS HB3 . 34028 1 280 . 1 1 40 40 GLN H H 1 8.593 0.001 . . . . . . A 40 GLN H . 34028 1 281 . 1 1 40 40 GLN HA H 1 3.784 0.001 . . . . . . A 40 GLN HA . 34028 1 282 . 1 1 40 40 GLN HB2 H 1 1.725 0.001 . . . . . . A 40 GLN HB2 . 34028 1 283 . 1 1 40 40 GLN HB3 H 1 1.887 0.001 . . . . . . A 40 GLN HB3 . 34028 1 284 . 1 1 40 40 GLN HG2 H 1 1.921 0.001 . . . . . . A 40 GLN HG2 . 34028 1 285 . 1 1 40 40 GLN HG3 H 1 2.015 0.000 . . . . . . A 40 GLN HG3 . 34028 1 286 . 1 1 40 40 GLN HE21 H 1 7.084 0.001 . . . . . . A 40 GLN HE21 . 34028 1 287 . 1 1 40 40 GLN HE22 H 1 6.373 0.000 . . . . . . A 40 GLN HE22 . 34028 1 288 . 1 1 41 41 SER H H 1 8.173 0.001 . . . . . . A 41 SER H . 34028 1 289 . 1 1 41 41 SER HA H 1 4.243 0.001 . . . . . . A 41 SER HA . 34028 1 290 . 1 1 41 41 SER HB2 H 1 3.965 0.000 . . . . . . A 41 SER HB2 . 34028 1 291 . 1 1 41 41 SER HB3 H 1 3.946 0.000 . . . . . . A 41 SER HB3 . 34028 1 292 . 1 1 42 42 CYS H H 1 7.641 0.001 . . . . . . A 42 CYS H . 34028 1 293 . 1 1 42 42 CYS HA H 1 3.920 0.002 . . . . . . A 42 CYS HA . 34028 1 294 . 1 1 42 42 CYS HB2 H 1 2.812 0.000 . . . . . . A 42 CYS HB2 . 34028 1 295 . 1 1 42 42 CYS HB3 H 1 2.778 0.000 . . . . . . A 42 CYS HB3 . 34028 1 296 . 1 1 43 43 PHE H H 1 7.098 0.001 . . . . . . A 43 PHE H . 34028 1 297 . 1 1 43 43 PHE HA H 1 3.788 0.000 . . . . . . A 43 PHE HA . 34028 1 298 . 1 1 43 43 PHE HB2 H 1 2.783 0.004 . . . . . . A 43 PHE HB2 . 34028 1 299 . 1 1 43 43 PHE HB3 H 1 1.910 0.002 . . . . . . A 43 PHE HB3 . 34028 1 300 . 1 1 43 43 PHE HD1 H 1 7.076 0.001 . . . . . . A 43 PHE HD1 . 34028 1 301 . 1 1 43 43 PHE HD2 H 1 7.076 0.001 . . . . . . A 43 PHE HD2 . 34028 1 302 . 1 1 43 43 PHE HE1 H 1 6.954 0.001 . . . . . . A 43 PHE HE1 . 34028 1 303 . 1 1 43 43 PHE HE2 H 1 6.954 0.001 . . . . . . A 43 PHE HE2 . 34028 1 stop_ save_