################################### # 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 16438 _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' . . . 16438 1 2 '2D 1H-1H COSY' . . . 16438 1 3 '2D 1H-1H NOESY' . . . 16438 1 4 '2D 1H-1H TOCSY' . . . 16438 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 $NMRView . . 16438 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 LYS HA H 1 3.947 0.02 . 1 . . . . 1 LYS HA . 16438 1 2 . 1 1 2 2 LYS H H 1 8.640 0.02 . 1 . . . . 2 LYS H . 16438 1 3 . 1 1 2 2 LYS HA H 1 4.327 0.02 . 1 . . . . 2 LYS HA . 16438 1 4 . 1 1 2 2 LYS HB2 H 1 1.663 0.02 . 2 . . . . 2 LYS HB2 . 16438 1 5 . 1 1 2 2 LYS HB3 H 1 1.711 0.02 . 2 . . . . 2 LYS HB3 . 16438 1 6 . 1 1 2 2 LYS HD2 H 1 1.618 0.02 . 2 . . . . 2 LYS HD2 . 16438 1 7 . 1 1 2 2 LYS HD3 H 1 1.618 0.02 . 2 . . . . 2 LYS HD3 . 16438 1 8 . 1 1 2 2 LYS HG2 H 1 1.319 0.02 . 2 . . . . 2 LYS HG2 . 16438 1 9 . 1 1 2 2 LYS HG3 H 1 1.355 0.02 . 2 . . . . 2 LYS HG3 . 16438 1 10 . 1 1 3 3 VAL H H 1 8.362 0.02 . 1 . . . . 3 VAL H . 16438 1 11 . 1 1 3 3 VAL HA H 1 4.034 0.02 . 1 . . . . 3 VAL HA . 16438 1 12 . 1 1 3 3 VAL HB H 1 1.936 0.02 . 1 . . . . 3 VAL HB . 16438 1 13 . 1 1 3 3 VAL HG11 H 1 0.823 0.02 . 2 . . . . 3 VAL HG1 . 16438 1 14 . 1 1 3 3 VAL HG12 H 1 0.823 0.02 . 2 . . . . 3 VAL HG1 . 16438 1 15 . 1 1 3 3 VAL HG13 H 1 0.823 0.02 . 2 . . . . 3 VAL HG1 . 16438 1 16 . 1 1 3 3 VAL HG21 H 1 0.863 0.02 . 2 . . . . 3 VAL HG2 . 16438 1 17 . 1 1 3 3 VAL HG22 H 1 0.863 0.02 . 2 . . . . 3 VAL HG2 . 16438 1 18 . 1 1 3 3 VAL HG23 H 1 0.863 0.02 . 2 . . . . 3 VAL HG2 . 16438 1 19 . 1 1 4 4 CYS H H 1 8.592 0.02 . 1 . . . . 4 CYS H . 16438 1 20 . 1 1 4 4 CYS HA H 1 4.612 0.02 . 1 . . . . 4 CYS HA . 16438 1 21 . 1 1 4 4 CYS HB2 H 1 2.860 0.02 . 2 . . . . 4 CYS HB2 . 16438 1 22 . 1 1 4 4 CYS HB3 H 1 3.057 0.02 . 2 . . . . 4 CYS HB3 . 16438 1 23 . 1 1 5 5 ALA H H 1 8.651 0.02 . 1 . . . . 5 ALA H . 16438 1 24 . 1 1 5 5 ALA HA H 1 4.498 0.02 . 1 . . . . 5 ALA HA . 16438 1 25 . 1 1 5 5 ALA HB1 H 1 1.205 0.02 . 1 . . . . 5 ALA HB . 16438 1 26 . 1 1 5 5 ALA HB2 H 1 1.205 0.02 . 1 . . . . 5 ALA HB . 16438 1 27 . 1 1 5 5 ALA HB3 H 1 1.205 0.02 . 1 . . . . 5 ALA HB . 16438 1 28 . 1 1 6 6 CYS H H 1 7.904 0.02 . 1 . . . . 6 CYS H . 16438 1 29 . 1 1 6 6 CYS HA H 1 5.269 0.02 . 1 . . . . 6 CYS HA . 16438 1 30 . 1 1 6 6 CYS HB2 H 1 2.530 0.02 . 2 . . . . 6 CYS HB2 . 16438 1 31 . 1 1 6 6 CYS HB3 H 1 3.034 0.02 . 2 . . . . 6 CYS HB3 . 16438 1 32 . 1 1 7 7 PRO HA H 1 4.461 0.02 . 1 . . . . 7 PRO HA . 16438 1 33 . 1 1 7 7 PRO HB2 H 1 1.750 0.02 . 2 . . . . 7 PRO HB2 . 16438 1 34 . 1 1 7 7 PRO HB3 H 1 2.323 0.02 . 2 . . . . 7 PRO HB3 . 16438 1 35 . 1 1 7 7 PRO HD2 H 1 3.506 0.02 . 2 . . . . 7 PRO HD2 . 16438 1 36 . 1 1 7 7 PRO HD3 H 1 3.875 0.02 . 2 . . . . 7 PRO HD3 . 16438 1 37 . 1 1 7 7 PRO HG2 H 1 1.941 0.02 . 2 . . . . 7 PRO HG2 . 16438 1 38 . 1 1 7 7 PRO HG3 H 1 2.013 0.02 . 2 . . . . 7 PRO HG3 . 16438 1 39 . 1 1 8 8 LYS H H 1 8.610 0.02 . 1 . . . . 8 LYS H . 16438 1 40 . 1 1 8 8 LYS HA H 1 4.204 0.02 . 1 . . . . 8 LYS HA . 16438 1 41 . 1 1 8 8 LYS HB2 H 1 1.811 0.02 . 2 . . . . 8 LYS HB2 . 16438 1 42 . 1 1 8 8 LYS HB3 H 1 1.605 0.02 . 2 . . . . 8 LYS HB3 . 16438 1 43 . 1 1 8 8 LYS HG2 H 1 1.403 0.02 . 2 . . . . 8 LYS HG2 . 16438 1 44 . 1 1 8 8 LYS HG3 H 1 1.315 0.02 . 2 . . . . 8 LYS HG3 . 16438 1 45 . 1 1 9 9 ILE H H 1 7.006 0.02 . 1 . . . . 9 ILE H . 16438 1 46 . 1 1 9 9 ILE HA H 1 4.065 0.02 . 1 . . . . 9 ILE HA . 16438 1 47 . 1 1 9 9 ILE HB H 1 1.614 0.02 . 1 . . . . 9 ILE HB . 16438 1 48 . 1 1 9 9 ILE HG12 H 1 1.354 0.02 . 2 . . . . 9 ILE HG12 . 16438 1 49 . 1 1 9 9 ILE HG13 H 1 1.010 0.02 . 2 . . . . 9 ILE HG13 . 16438 1 50 . 1 1 9 9 ILE HG21 H 1 0.801 0.02 . 1 . . . . 9 ILE HG2 . 16438 1 51 . 1 1 9 9 ILE HG22 H 1 0.801 0.02 . 1 . . . . 9 ILE HG2 . 16438 1 52 . 1 1 9 9 ILE HG23 H 1 0.801 0.02 . 1 . . . . 9 ILE HG2 . 16438 1 53 . 1 1 10 10 LEU H H 1 8.588 0.02 . 1 . . . . 10 LEU H . 16438 1 54 . 1 1 10 10 LEU HA H 1 4.585 0.02 . 1 . . . . 10 LEU HA . 16438 1 55 . 1 1 10 10 LEU HB2 H 1 1.696 0.02 . 2 . . . . 10 LEU HB2 . 16438 1 56 . 1 1 10 10 LEU HB3 H 1 1.696 0.02 . 2 . . . . 10 LEU HB3 . 16438 1 57 . 1 1 10 10 LEU HD11 H 1 0.929 0.02 . 2 . . . . 10 LEU HD1 . 16438 1 58 . 1 1 10 10 LEU HD12 H 1 0.929 0.02 . 2 . . . . 10 LEU HD1 . 16438 1 59 . 1 1 10 10 LEU HD13 H 1 0.929 0.02 . 2 . . . . 10 LEU HD1 . 16438 1 60 . 1 1 10 10 LEU HD21 H 1 0.847 0.02 . 2 . . . . 10 LEU HD2 . 16438 1 61 . 1 1 10 10 LEU HD22 H 1 0.847 0.02 . 2 . . . . 10 LEU HD2 . 16438 1 62 . 1 1 10 10 LEU HD23 H 1 0.847 0.02 . 2 . . . . 10 LEU HD2 . 16438 1 63 . 1 1 10 10 LEU HG H 1 1.452 0.02 . 1 . . . . 10 LEU HG . 16438 1 64 . 1 1 11 11 LYS H H 1 8.678 0.02 . 1 . . . . 11 LYS H . 16438 1 65 . 1 1 11 11 LYS HA H 1 4.520 0.02 . 1 . . . . 11 LYS HA . 16438 1 66 . 1 1 11 11 LYS HB2 H 1 1.577 0.02 . 2 . . . . 11 LYS HB2 . 16438 1 67 . 1 1 11 11 LYS HB3 H 1 1.773 0.02 . 2 . . . . 11 LYS HB3 . 16438 1 68 . 1 1 11 11 LYS HG2 H 1 1.330 0.02 . 2 . . . . 11 LYS HG2 . 16438 1 69 . 1 1 11 11 LYS HG3 H 1 1.643 0.02 . 2 . . . . 11 LYS HG3 . 16438 1 70 . 1 1 12 12 PRO HA H 1 4.542 0.02 . 1 . . . . 12 PRO HA . 16438 1 71 . 1 1 12 12 PRO HB2 H 1 1.691 0.02 . 2 . . . . 12 PRO HB2 . 16438 1 72 . 1 1 12 12 PRO HB3 H 1 1.807 0.02 . 2 . . . . 12 PRO HB3 . 16438 1 73 . 1 1 12 12 PRO HD2 H 1 3.560 0.02 . 2 . . . . 12 PRO HD2 . 16438 1 74 . 1 1 12 12 PRO HD3 H 1 3.400 0.02 . 2 . . . . 12 PRO HD3 . 16438 1 75 . 1 1 12 12 PRO HG2 H 1 2.056 0.02 . 2 . . . . 12 PRO HG2 . 16438 1 76 . 1 1 12 12 PRO HG3 H 1 1.920 0.02 . 2 . . . . 12 PRO HG3 . 16438 1 77 . 1 1 13 13 VAL H H 1 8.317 0.02 . 1 . . . . 13 VAL H . 16438 1 78 . 1 1 13 13 VAL HA H 1 4.562 0.02 . 1 . . . . 13 VAL HA . 16438 1 79 . 1 1 13 13 VAL HB H 1 2.039 0.02 . 1 . . . . 13 VAL HB . 16438 1 80 . 1 1 13 13 VAL HG11 H 1 0.873 0.02 . 2 . . . . 13 VAL HG1 . 16438 1 81 . 1 1 13 13 VAL HG12 H 1 0.873 0.02 . 2 . . . . 13 VAL HG1 . 16438 1 82 . 1 1 13 13 VAL HG13 H 1 0.873 0.02 . 2 . . . . 13 VAL HG1 . 16438 1 83 . 1 1 13 13 VAL HG21 H 1 0.626 0.02 . 2 . . . . 13 VAL HG2 . 16438 1 84 . 1 1 13 13 VAL HG22 H 1 0.626 0.02 . 2 . . . . 13 VAL HG2 . 16438 1 85 . 1 1 13 13 VAL HG23 H 1 0.626 0.02 . 2 . . . . 13 VAL HG2 . 16438 1 86 . 1 1 14 14 CYS H H 1 8.676 0.02 . 1 . . . . 14 CYS H . 16438 1 87 . 1 1 14 14 CYS HA H 1 4.875 0.02 . 1 . . . . 14 CYS HA . 16438 1 88 . 1 1 14 14 CYS HB2 H 1 2.886 0.02 . 2 . . . . 14 CYS HB2 . 16438 1 89 . 1 1 14 14 CYS HB3 H 1 2.660 0.02 . 2 . . . . 14 CYS HB3 . 16438 1 90 . 1 1 15 15 GLY H H 1 9.310 0.02 . 1 . . . . 15 GLY H . 16438 1 91 . 1 1 15 15 GLY HA2 H 1 4.631 0.02 . 2 . . . . 15 GLY HA2 . 16438 1 92 . 1 1 15 15 GLY HA3 H 1 3.937 0.02 . 2 . . . . 15 GLY HA3 . 16438 1 93 . 1 1 16 16 SER H H 1 8.791 0.02 . 1 . . . . 16 SER H . 16438 1 94 . 1 1 16 16 SER HA H 1 4.116 0.02 . 1 . . . . 16 SER HA . 16438 1 95 . 1 1 16 16 SER HB2 H 1 3.768 0.02 . 2 . . . . 16 SER HB2 . 16438 1 96 . 1 1 16 16 SER HB3 H 1 3.936 0.02 . 2 . . . . 16 SER HB3 . 16438 1 97 . 1 1 17 17 ASP H H 1 8.216 0.02 . 1 . . . . 17 ASP H . 16438 1 98 . 1 1 17 17 ASP HA H 1 4.526 0.02 . 1 . . . . 17 ASP HA . 16438 1 99 . 1 1 17 17 ASP HB2 H 1 3.023 0.02 . 2 . . . . 17 ASP HB2 . 16438 1 100 . 1 1 17 17 ASP HB3 H 1 2.794 0.02 . 2 . . . . 17 ASP HB3 . 16438 1 101 . 1 1 18 18 GLY H H 1 8.209 0.02 . 1 . . . . 18 GLY H . 16438 1 102 . 1 1 18 18 GLY HA2 H 1 3.608 0.02 . 2 . . . . 18 GLY HA2 . 16438 1 103 . 1 1 18 18 GLY HA3 H 1 4.089 0.02 . 2 . . . . 18 GLY HA3 . 16438 1 104 . 1 1 19 19 ARG H H 1 7.569 0.02 . 1 . . . . 19 ARG H . 16438 1 105 . 1 1 19 19 ARG HA H 1 4.293 0.02 . 1 . . . . 19 ARG HA . 16438 1 106 . 1 1 19 19 ARG HB2 H 1 1.680 0.02 . 2 . . . . 19 ARG HB2 . 16438 1 107 . 1 1 19 19 ARG HB3 H 1 1.288 0.02 . 2 . . . . 19 ARG HB3 . 16438 1 108 . 1 1 19 19 ARG HG2 H 1 1.415 0.02 . 2 . . . . 19 ARG HG2 . 16438 1 109 . 1 1 19 19 ARG HG3 H 1 1.373 0.02 . 2 . . . . 19 ARG HG3 . 16438 1 110 . 1 1 20 20 THR H H 1 8.200 0.02 . 1 . . . . 20 THR H . 16438 1 111 . 1 1 20 20 THR HA H 1 4.731 0.02 . 1 . . . . 20 THR HA . 16438 1 112 . 1 1 20 20 THR HB H 1 3.796 0.02 . 1 . . . . 20 THR HB . 16438 1 113 . 1 1 20 20 THR HG21 H 1 0.994 0.02 . 1 . . . . 20 THR HG2 . 16438 1 114 . 1 1 20 20 THR HG22 H 1 0.994 0.02 . 1 . . . . 20 THR HG2 . 16438 1 115 . 1 1 20 20 THR HG23 H 1 0.994 0.02 . 1 . . . . 20 THR HG2 . 16438 1 116 . 1 1 21 21 TYR H H 1 8.819 0.02 . 1 . . . . 21 TYR H . 16438 1 117 . 1 1 21 21 TYR HA H 1 4.529 0.02 . 1 . . . . 21 TYR HA . 16438 1 118 . 1 1 21 21 TYR HB2 H 1 2.446 0.02 . 2 . . . . 21 TYR HB2 . 16438 1 119 . 1 1 21 21 TYR HB3 H 1 2.848 0.02 . 2 . . . . 21 TYR HB3 . 16438 1 120 . 1 1 21 21 TYR HD1 H 1 6.880 0.02 . 1 . . . . 21 TYR HD1 . 16438 1 121 . 1 1 21 21 TYR HD2 H 1 6.880 0.02 . 1 . . . . 21 TYR HD2 . 16438 1 122 . 1 1 21 21 TYR HE1 H 1 6.845 0.02 . 1 . . . . 21 TYR HE1 . 16438 1 123 . 1 1 21 21 TYR HE2 H 1 6.845 0.02 . 1 . . . . 21 TYR HE2 . 16438 1 124 . 1 1 22 22 ALA H H 1 8.780 0.02 . 1 . . . . 22 ALA H . 16438 1 125 . 1 1 22 22 ALA HA H 1 3.901 0.02 . 1 . . . . 22 ALA HA . 16438 1 126 . 1 1 22 22 ALA HB1 H 1 1.375 0.02 . 1 . . . . 22 ALA HB . 16438 1 127 . 1 1 22 22 ALA HB2 H 1 1.375 0.02 . 1 . . . . 22 ALA HB . 16438 1 128 . 1 1 22 22 ALA HB3 H 1 1.375 0.02 . 1 . . . . 22 ALA HB . 16438 1 129 . 1 1 23 23 ASN H H 1 7.241 0.02 . 1 . . . . 23 ASN H . 16438 1 130 . 1 1 23 23 ASN HA H 1 4.828 0.02 . 1 . . . . 23 ASN HA . 16438 1 131 . 1 1 23 23 ASN HB2 H 1 2.958 0.02 . 2 . . . . 23 ASN HB2 . 16438 1 132 . 1 1 23 23 ASN HB3 H 1 3.287 0.02 . 2 . . . . 23 ASN HB3 . 16438 1 133 . 1 1 23 23 ASN HD21 H 1 8.040 0.02 . 2 . . . . 23 ASN HD21 . 16438 1 134 . 1 1 23 23 ASN HD22 H 1 6.448 0.02 . 2 . . . . 23 ASN HD22 . 16438 1 135 . 1 1 24 24 SER H H 1 9.195 0.02 . 1 . . . . 24 SER H . 16438 1 136 . 1 1 24 24 SER HA H 1 3.949 0.02 . 1 . . . . 24 SER HA . 16438 1 137 . 1 1 24 24 SER HB2 H 1 3.866 0.02 . 2 . . . . 24 SER HB2 . 16438 1 138 . 1 1 24 24 SER HB3 H 1 3.918 0.02 . 2 . . . . 24 SER HB3 . 16438 1 139 . 1 1 25 25 CYS H H 1 8.059 0.02 . 1 . . . . 25 CYS H . 16438 1 140 . 1 1 25 25 CYS HA H 1 4.206 0.02 . 1 . . . . 25 CYS HA . 16438 1 141 . 1 1 25 25 CYS HB2 H 1 3.346 0.02 . 2 . . . . 25 CYS HB2 . 16438 1 142 . 1 1 25 25 CYS HB3 H 1 3.036 0.02 . 2 . . . . 25 CYS HB3 . 16438 1 143 . 1 1 26 26 ILE H H 1 8.204 0.02 . 1 . . . . 26 ILE H . 16438 1 144 . 1 1 26 26 ILE HA H 1 3.619 0.02 . 1 . . . . 26 ILE HA . 16438 1 145 . 1 1 26 26 ILE HB H 1 1.791 0.02 . 1 . . . . 26 ILE HB . 16438 1 146 . 1 1 26 26 ILE HG12 H 1 1.076 0.02 . 2 . . . . 26 ILE HG12 . 16438 1 147 . 1 1 26 26 ILE HG13 H 1 1.076 0.02 . 2 . . . . 26 ILE HG13 . 16438 1 148 . 1 1 26 26 ILE HG21 H 1 0.868 0.02 . 1 . . . . 26 ILE HG2 . 16438 1 149 . 1 1 26 26 ILE HG22 H 1 0.868 0.02 . 1 . . . . 26 ILE HG2 . 16438 1 150 . 1 1 26 26 ILE HG23 H 1 0.868 0.02 . 1 . . . . 26 ILE HG2 . 16438 1 151 . 1 1 27 27 ALA H H 1 7.502 0.02 . 1 . . . . 27 ALA H . 16438 1 152 . 1 1 27 27 ALA HA H 1 2.983 0.02 . 1 . . . . 27 ALA HA . 16438 1 153 . 1 1 27 27 ALA HB1 H 1 0.962 0.02 . 1 . . . . 27 ALA HB . 16438 1 154 . 1 1 27 27 ALA HB2 H 1 0.962 0.02 . 1 . . . . 27 ALA HB . 16438 1 155 . 1 1 27 27 ALA HB3 H 1 0.962 0.02 . 1 . . . . 27 ALA HB . 16438 1 156 . 1 1 28 28 ARG H H 1 7.845 0.02 . 1 . . . . 28 ARG H . 16438 1 157 . 1 1 28 28 ARG HA H 1 4.004 0.02 . 1 . . . . 28 ARG HA . 16438 1 158 . 1 1 28 28 ARG HB2 H 1 1.884 0.02 . 2 . . . . 28 ARG HB2 . 16438 1 159 . 1 1 28 28 ARG HG2 H 1 1.711 0.02 . 2 . . . . 28 ARG HG2 . 16438 1 160 . 1 1 28 28 ARG HG3 H 1 1.571 0.02 . 2 . . . . 28 ARG HG3 . 16438 1 161 . 1 1 29 29 CYS H H 1 8.403 0.02 . 1 . . . . 29 CYS H . 16438 1 162 . 1 1 29 29 CYS HA H 1 4.193 0.02 . 1 . . . . 29 CYS HA . 16438 1 163 . 1 1 29 29 CYS HB2 H 1 3.283 0.02 . 2 . . . . 29 CYS HB2 . 16438 1 164 . 1 1 29 29 CYS HB3 H 1 3.409 0.02 . 2 . . . . 29 CYS HB3 . 16438 1 165 . 1 1 30 30 ASN H H 1 7.523 0.02 . 1 . . . . 30 ASN H . 16438 1 166 . 1 1 30 30 ASN HA H 1 4.576 0.02 . 1 . . . . 30 ASN HA . 16438 1 167 . 1 1 30 30 ASN HB2 H 1 2.855 0.02 . 2 . . . . 30 ASN HB2 . 16438 1 168 . 1 1 30 30 ASN HB3 H 1 2.425 0.02 . 2 . . . . 30 ASN HB3 . 16438 1 169 . 1 1 31 31 GLY H H 1 7.905 0.02 . 1 . . . . 31 GLY H . 16438 1 170 . 1 1 31 31 GLY HA2 H 1 3.774 0.02 . 2 . . . . 31 GLY HA2 . 16438 1 171 . 1 1 31 31 GLY HA3 H 1 3.938 0.02 . 2 . . . . 31 GLY HA3 . 16438 1 172 . 1 1 32 32 VAL H H 1 7.497 0.02 . 1 . . . . 32 VAL H . 16438 1 173 . 1 1 32 32 VAL HA H 1 4.149 0.02 . 1 . . . . 32 VAL HA . 16438 1 174 . 1 1 32 32 VAL HB H 1 1.806 0.02 . 1 . . . . 32 VAL HB . 16438 1 175 . 1 1 32 32 VAL HG11 H 1 0.822 0.02 . 2 . . . . 32 VAL HG1 . 16438 1 176 . 1 1 32 32 VAL HG12 H 1 0.822 0.02 . 2 . . . . 32 VAL HG1 . 16438 1 177 . 1 1 32 32 VAL HG13 H 1 0.822 0.02 . 2 . . . . 32 VAL HG1 . 16438 1 178 . 1 1 32 32 VAL HG21 H 1 0.641 0.02 . 2 . . . . 32 VAL HG2 . 16438 1 179 . 1 1 32 32 VAL HG22 H 1 0.641 0.02 . 2 . . . . 32 VAL HG2 . 16438 1 180 . 1 1 32 32 VAL HG23 H 1 0.641 0.02 . 2 . . . . 32 VAL HG2 . 16438 1 181 . 1 1 33 33 SER H H 1 8.127 0.02 . 1 . . . . 33 SER H . 16438 1 182 . 1 1 33 33 SER HA H 1 4.407 0.02 . 1 . . . . 33 SER HA . 16438 1 183 . 1 1 33 33 SER HB2 H 1 3.770 0.02 . 2 . . . . 33 SER HB2 . 16438 1 184 . 1 1 34 34 ILE H H 1 8.281 0.02 . 1 . . . . 34 ILE H . 16438 1 185 . 1 1 34 34 ILE HA H 1 4.180 0.02 . 1 . . . . 34 ILE HA . 16438 1 186 . 1 1 34 34 ILE HB H 1 1.757 0.02 . 1 . . . . 34 ILE HB . 16438 1 187 . 1 1 34 34 ILE HD11 H 1 0.736 0.02 . 1 . . . . 34 ILE HD1 . 16438 1 188 . 1 1 34 34 ILE HD12 H 1 0.736 0.02 . 1 . . . . 34 ILE HD1 . 16438 1 189 . 1 1 34 34 ILE HD13 H 1 0.736 0.02 . 1 . . . . 34 ILE HD1 . 16438 1 190 . 1 1 34 34 ILE HG12 H 1 1.326 0.02 . 2 . . . . 34 ILE HG12 . 16438 1 191 . 1 1 34 34 ILE HG13 H 1 1.044 0.02 . 2 . . . . 34 ILE HG13 . 16438 1 192 . 1 1 34 34 ILE HG21 H 1 0.792 0.02 . 1 . . . . 34 ILE HG2 . 16438 1 193 . 1 1 34 34 ILE HG22 H 1 0.792 0.02 . 1 . . . . 34 ILE HG2 . 16438 1 194 . 1 1 34 34 ILE HG23 H 1 0.792 0.02 . 1 . . . . 34 ILE HG2 . 16438 1 195 . 1 1 35 35 LYS H H 1 8.557 0.02 . 1 . . . . 35 LYS H . 16438 1 196 . 1 1 35 35 LYS HA H 1 4.236 0.02 . 1 . . . . 35 LYS HA . 16438 1 197 . 1 1 35 35 LYS HB2 H 1 1.672 0.02 . 2 . . . . 35 LYS HB2 . 16438 1 198 . 1 1 35 35 LYS HB3 H 1 1.534 0.02 . 2 . . . . 35 LYS HB3 . 16438 1 199 . 1 1 35 35 LYS HD2 H 1 1.319 0.02 . 2 . . . . 35 LYS HD2 . 16438 1 200 . 1 1 35 35 LYS HD3 H 1 1.282 0.02 . 2 . . . . 35 LYS HD3 . 16438 1 201 . 1 1 35 35 LYS HG2 H 1 1.583 0.02 . 2 . . . . 35 LYS HG2 . 16438 1 202 . 1 1 36 36 SER H H 1 8.279 0.02 . 1 . . . . 36 SER H . 16438 1 203 . 1 1 36 36 SER HA H 1 4.388 0.02 . 1 . . . . 36 SER HA . 16438 1 204 . 1 1 36 36 SER HB2 H 1 3.812 0.02 . 2 . . . . 36 SER HB2 . 16438 1 205 . 1 1 36 36 SER HB3 H 1 3.774 0.02 . 2 . . . . 36 SER HB3 . 16438 1 206 . 1 1 37 37 GLU H H 1 8.398 0.02 . 1 . . . . 37 GLU H . 16438 1 207 . 1 1 37 37 GLU HA H 1 4.387 0.02 . 1 . . . . 37 GLU HA . 16438 1 208 . 1 1 37 37 GLU HB2 H 1 2.100 0.02 . 2 . . . . 37 GLU HB2 . 16438 1 209 . 1 1 37 37 GLU HB3 H 1 1.933 0.02 . 2 . . . . 37 GLU HB3 . 16438 1 210 . 1 1 37 37 GLU HG3 H 1 2.422 0.02 . 2 . . . . 37 GLU HG3 . 16438 1 211 . 1 1 38 38 GLY H H 1 8.348 0.02 . 1 . . . . 38 GLY H . 16438 1 212 . 1 1 38 38 GLY HA3 H 1 3.915 0.02 . 2 . . . . 38 GLY HA3 . 16438 1 213 . 1 1 39 39 SER H H 1 8.158 0.02 . 1 . . . . 39 SER H . 16438 1 214 . 1 1 39 39 SER HA H 1 4.398 0.02 . 1 . . . . 39 SER HA . 16438 1 215 . 1 1 39 39 SER HB2 H 1 3.777 0.02 . 2 . . . . 39 SER HB2 . 16438 1 216 . 1 1 39 39 SER HB3 H 1 3.777 0.02 . 2 . . . . 39 SER HB3 . 16438 1 217 . 1 1 40 40 CYS H H 1 8.338 0.02 . 1 . . . . 40 CYS H . 16438 1 218 . 1 1 40 40 CYS HA H 1 4.743 0.02 . 1 . . . . 40 CYS HA . 16438 1 219 . 1 1 40 40 CYS HB2 H 1 2.806 0.02 . 2 . . . . 40 CYS HB2 . 16438 1 220 . 1 1 40 40 CYS HB3 H 1 2.849 0.02 . 2 . . . . 40 CYS HB3 . 16438 1 221 . 1 1 41 41 PRO HA H 1 4.431 0.02 . 1 . . . . 41 PRO HA . 16438 1 222 . 1 1 41 41 PRO HB2 H 1 2.251 0.02 . 2 . . . . 41 PRO HB2 . 16438 1 223 . 1 1 41 41 PRO HB3 H 1 1.888 0.02 . 2 . . . . 41 PRO HB3 . 16438 1 224 . 1 1 41 41 PRO HD2 H 1 3.738 0.02 . 2 . . . . 41 PRO HD2 . 16438 1 225 . 1 1 41 41 PRO HD3 H 1 3.692 0.02 . 2 . . . . 41 PRO HD3 . 16438 1 226 . 1 1 41 41 PRO HG2 H 1 1.960 0.02 . 2 . . . . 41 PRO HG2 . 16438 1 227 . 1 1 41 41 PRO HG3 H 1 1.960 0.02 . 2 . . . . 41 PRO HG3 . 16438 1 228 . 1 1 42 42 THR H H 1 8.103 0.02 . 1 . . . . 42 THR H . 16438 1 229 . 1 1 42 42 THR HA H 1 4.268 0.02 . 1 . . . . 42 THR HA . 16438 1 230 . 1 1 42 42 THR HB H 1 4.183 0.02 . 1 . . . . 42 THR HB . 16438 1 231 . 1 1 42 42 THR HG21 H 1 1.159 0.02 . 1 . . . . 42 THR HG2 . 16438 1 232 . 1 1 42 42 THR HG22 H 1 1.159 0.02 . 1 . . . . 42 THR HG2 . 16438 1 233 . 1 1 42 42 THR HG23 H 1 1.159 0.02 . 1 . . . . 42 THR HG2 . 16438 1 234 . 1 1 43 43 GLY H H 1 8.225 0.02 . 1 . . . . 43 GLY H . 16438 1 235 . 1 1 43 43 GLY HA3 H 1 3.924 0.02 . 2 . . . . 43 GLY HA3 . 16438 1 236 . 1 1 44 44 ILE H H 1 7.936 0.02 . 1 . . . . 44 ILE H . 16438 1 237 . 1 1 44 44 ILE HA H 1 4.234 0.02 . 1 . . . . 44 ILE HA . 16438 1 238 . 1 1 44 44 ILE HB H 1 1.849 0.02 . 1 . . . . 44 ILE HB . 16438 1 239 . 1 1 44 44 ILE HD11 H 1 0.806 0.02 . 1 . . . . 44 ILE HD1 . 16438 1 240 . 1 1 44 44 ILE HD12 H 1 0.806 0.02 . 1 . . . . 44 ILE HD1 . 16438 1 241 . 1 1 44 44 ILE HD13 H 1 0.806 0.02 . 1 . . . . 44 ILE HD1 . 16438 1 242 . 1 1 44 44 ILE HG12 H 1 1.354 0.02 . 2 . . . . 44 ILE HG12 . 16438 1 243 . 1 1 44 44 ILE HG13 H 1 1.133 0.02 . 2 . . . . 44 ILE HG13 . 16438 1 244 . 1 1 44 44 ILE HG21 H 1 0.852 0.02 . 1 . . . . 44 ILE HG2 . 16438 1 245 . 1 1 44 44 ILE HG22 H 1 0.852 0.02 . 1 . . . . 44 ILE HG2 . 16438 1 246 . 1 1 44 44 ILE HG23 H 1 0.852 0.02 . 1 . . . . 44 ILE HG2 . 16438 1 stop_ save_