################################### # 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 16436 _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' . . . 16436 1 2 '2D 1H-1H COSY' . . . 16436 1 3 '2D 1H-1H NOESY' . . . 16436 1 4 '2D 1H-1H TOCSY' . . . 16436 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 . . 16436 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 3.940 0.02 . 1 . . . . 1 LYS HA . 16436 1 2 . 1 1 2 2 LYS H H 1 8.629 0.02 . 1 . . . . 2 LYS H . 16436 1 3 . 1 1 2 2 LYS HA H 1 4.345 0.02 . 1 . . . . 2 LYS HA . 16436 1 4 . 1 1 2 2 LYS HB2 H 1 1.662 0.02 . 2 . . . . 2 LYS HB2 . 16436 1 5 . 1 1 2 2 LYS HB3 H 1 1.743 0.02 . 2 . . . . 2 LYS HB3 . 16436 1 6 . 1 1 2 2 LYS HG2 H 1 1.327 0.02 . 2 . . . . 2 LYS HG2 . 16436 1 7 . 1 1 2 2 LYS HG3 H 1 1.361 0.02 . 2 . . . . 2 LYS HG3 . 16436 1 8 . 1 1 3 3 VAL H H 1 8.359 0.02 . 1 . . . . 3 VAL H . 16436 1 9 . 1 1 3 3 VAL HA H 1 4.051 0.02 . 1 . . . . 3 VAL HA . 16436 1 10 . 1 1 3 3 VAL HB H 1 1.969 0.02 . 1 . . . . 3 VAL HB . 16436 1 11 . 1 1 3 3 VAL HG11 H 1 0.858 0.02 . 2 . . . . 3 VAL HG1 . 16436 1 12 . 1 1 3 3 VAL HG12 H 1 0.858 0.02 . 2 . . . . 3 VAL HG1 . 16436 1 13 . 1 1 3 3 VAL HG13 H 1 0.858 0.02 . 2 . . . . 3 VAL HG1 . 16436 1 14 . 1 1 3 3 VAL HG21 H 1 0.880 0.02 . 2 . . . . 3 VAL HG2 . 16436 1 15 . 1 1 3 3 VAL HG22 H 1 0.880 0.02 . 2 . . . . 3 VAL HG2 . 16436 1 16 . 1 1 3 3 VAL HG23 H 1 0.880 0.02 . 2 . . . . 3 VAL HG2 . 16436 1 17 . 1 1 4 4 CYS H H 1 8.384 0.02 . 1 . . . . 4 CYS H . 16436 1 18 . 1 1 4 4 CYS HA H 1 4.416 0.02 . 1 . . . . 4 CYS HA . 16436 1 19 . 1 1 4 4 CYS HB2 H 1 2.833 0.02 . 2 . . . . 4 CYS HB2 . 16436 1 20 . 1 1 4 4 CYS HB3 H 1 2.833 0.02 . 2 . . . . 4 CYS HB3 . 16436 1 21 . 1 1 5 5 ALA H H 1 8.373 0.02 . 1 . . . . 5 ALA H . 16436 1 22 . 1 1 5 5 ALA HA H 1 4.400 0.02 . 1 . . . . 5 ALA HA . 16436 1 23 . 1 1 5 5 ALA HB1 H 1 1.276 0.02 . 1 . . . . 5 ALA HB . 16436 1 24 . 1 1 5 5 ALA HB2 H 1 1.276 0.02 . 1 . . . . 5 ALA HB . 16436 1 25 . 1 1 5 5 ALA HB3 H 1 1.276 0.02 . 1 . . . . 5 ALA HB . 16436 1 26 . 1 1 6 6 CYS H H 1 8.110 0.02 . 1 . . . . 6 CYS H . 16436 1 27 . 1 1 6 6 CYS HA H 1 5.098 0.02 . 1 . . . . 6 CYS HA . 16436 1 28 . 1 1 6 6 CYS HB2 H 1 2.999 0.02 . 2 . . . . 6 CYS HB2 . 16436 1 29 . 1 1 6 6 CYS HB3 H 1 2.628 0.02 . 2 . . . . 6 CYS HB3 . 16436 1 30 . 1 1 7 7 PRO HA H 1 4.427 0.02 . 1 . . . . 7 PRO HA . 16436 1 31 . 1 1 7 7 PRO HB2 H 1 1.732 0.02 . 2 . . . . 7 PRO HB2 . 16436 1 32 . 1 1 7 7 PRO HB3 H 1 2.326 0.02 . 2 . . . . 7 PRO HB3 . 16436 1 33 . 1 1 7 7 PRO HD2 H 1 3.480 0.02 . 2 . . . . 7 PRO HD2 . 16436 1 34 . 1 1 7 7 PRO HD3 H 1 3.907 0.02 . 2 . . . . 7 PRO HD3 . 16436 1 35 . 1 1 7 7 PRO HG2 H 1 1.959 0.02 . 2 . . . . 7 PRO HG2 . 16436 1 36 . 1 1 7 7 PRO HG3 H 1 2.021 0.02 . 2 . . . . 7 PRO HG3 . 16436 1 37 . 1 1 8 8 LYS H H 1 8.660 0.02 . 1 . . . . 8 LYS H . 16436 1 38 . 1 1 8 8 LYS HA H 1 4.229 0.02 . 1 . . . . 8 LYS HA . 16436 1 39 . 1 1 8 8 LYS HB2 H 1 1.832 0.02 . 2 . . . . 8 LYS HB2 . 16436 1 40 . 1 1 8 8 LYS HB3 H 1 1.597 0.02 . 2 . . . . 8 LYS HB3 . 16436 1 41 . 1 1 8 8 LYS HD2 H 1 1.603 0.02 . 2 . . . . 8 LYS HD2 . 16436 1 42 . 1 1 8 8 LYS HD3 H 1 1.603 0.02 . 2 . . . . 8 LYS HD3 . 16436 1 43 . 1 1 8 8 LYS HE2 H 1 2.889 0.02 . 2 . . . . 8 LYS HE2 . 16436 1 44 . 1 1 8 8 LYS HE3 H 1 2.889 0.02 . 2 . . . . 8 LYS HE3 . 16436 1 45 . 1 1 8 8 LYS HG2 H 1 1.316 0.02 . 2 . . . . 8 LYS HG2 . 16436 1 46 . 1 1 8 8 LYS HG3 H 1 1.408 0.02 . 2 . . . . 8 LYS HG3 . 16436 1 47 . 1 1 9 9 ILE H H 1 6.860 0.02 . 1 . . . . 9 ILE H . 16436 1 48 . 1 1 9 9 ILE HA H 1 4.076 0.02 . 1 . . . . 9 ILE HA . 16436 1 49 . 1 1 9 9 ILE HB H 1 1.603 0.02 . 1 . . . . 9 ILE HB . 16436 1 50 . 1 1 9 9 ILE HD11 H 1 0.813 0.02 . 1 . . . . 9 ILE HD1 . 16436 1 51 . 1 1 9 9 ILE HD12 H 1 0.813 0.02 . 1 . . . . 9 ILE HD1 . 16436 1 52 . 1 1 9 9 ILE HD13 H 1 0.813 0.02 . 1 . . . . 9 ILE HD1 . 16436 1 53 . 1 1 9 9 ILE HG12 H 1 1.351 0.02 . 2 . . . . 9 ILE HG12 . 16436 1 54 . 1 1 9 9 ILE HG13 H 1 0.993 0.02 . 2 . . . . 9 ILE HG13 . 16436 1 55 . 1 1 9 9 ILE HG21 H 1 0.803 0.02 . 1 . . . . 9 ILE HG2 . 16436 1 56 . 1 1 9 9 ILE HG22 H 1 0.803 0.02 . 1 . . . . 9 ILE HG2 . 16436 1 57 . 1 1 9 9 ILE HG23 H 1 0.803 0.02 . 1 . . . . 9 ILE HG2 . 16436 1 58 . 1 1 10 10 LEU H H 1 8.603 0.02 . 1 . . . . 10 LEU H . 16436 1 59 . 1 1 10 10 LEU HA H 1 4.618 0.02 . 1 . . . . 10 LEU HA . 16436 1 60 . 1 1 10 10 LEU HB2 H 1 1.747 0.02 . 2 . . . . 10 LEU HB2 . 16436 1 61 . 1 1 10 10 LEU HB3 H 1 1.747 0.02 . 2 . . . . 10 LEU HB3 . 16436 1 62 . 1 1 10 10 LEU HD11 H 1 0.941 0.02 . 2 . . . . 10 LEU HD1 . 16436 1 63 . 1 1 10 10 LEU HD12 H 1 0.941 0.02 . 2 . . . . 10 LEU HD1 . 16436 1 64 . 1 1 10 10 LEU HD13 H 1 0.941 0.02 . 2 . . . . 10 LEU HD1 . 16436 1 65 . 1 1 10 10 LEU HD21 H 1 0.855 0.02 . 2 . . . . 10 LEU HD2 . 16436 1 66 . 1 1 10 10 LEU HD22 H 1 0.855 0.02 . 2 . . . . 10 LEU HD2 . 16436 1 67 . 1 1 10 10 LEU HD23 H 1 0.855 0.02 . 2 . . . . 10 LEU HD2 . 16436 1 68 . 1 1 10 10 LEU HG H 1 1.417 0.02 . 1 . . . . 10 LEU HG . 16436 1 69 . 1 1 11 11 LYS H H 1 8.814 0.02 . 1 . . . . 11 LYS H . 16436 1 70 . 1 1 11 11 LYS HA H 1 4.533 0.02 . 1 . . . . 11 LYS HA . 16436 1 71 . 1 1 11 11 LYS HB2 H 1 1.559 0.02 . 2 . . . . 11 LYS HB2 . 16436 1 72 . 1 1 11 11 LYS HB3 H 1 1.778 0.02 . 2 . . . . 11 LYS HB3 . 16436 1 73 . 1 1 11 11 LYS HE2 H 1 2.929 0.02 . 2 . . . . 11 LYS HE2 . 16436 1 74 . 1 1 11 11 LYS HE3 H 1 2.929 0.02 . 2 . . . . 11 LYS HE3 . 16436 1 75 . 1 1 11 11 LYS HG2 H 1 1.351 0.02 . 2 . . . . 11 LYS HG2 . 16436 1 76 . 1 1 11 11 LYS HG3 H 1 1.660 0.02 . 2 . . . . 11 LYS HG3 . 16436 1 77 . 1 1 12 12 PRO HA H 1 4.570 0.02 . 1 . . . . 12 PRO HA . 16436 1 78 . 1 1 12 12 PRO HB2 H 1 1.857 0.02 . 2 . . . . 12 PRO HB2 . 16436 1 79 . 1 1 12 12 PRO HB3 H 1 1.820 0.02 . 2 . . . . 12 PRO HB3 . 16436 1 80 . 1 1 12 12 PRO HD2 H 1 3.601 0.02 . 2 . . . . 12 PRO HD2 . 16436 1 81 . 1 1 12 12 PRO HD3 H 1 3.328 0.02 . 2 . . . . 12 PRO HD3 . 16436 1 82 . 1 1 12 12 PRO HG2 H 1 1.461 0.02 . 2 . . . . 12 PRO HG2 . 16436 1 83 . 1 1 12 12 PRO HG3 H 1 2.007 0.02 . 2 . . . . 12 PRO HG3 . 16436 1 84 . 1 1 13 13 VAL H H 1 8.283 0.02 . 1 . . . . 13 VAL H . 16436 1 85 . 1 1 13 13 VAL HA H 1 4.672 0.02 . 1 . . . . 13 VAL HA . 16436 1 86 . 1 1 13 13 VAL HB H 1 2.118 0.02 . 1 . . . . 13 VAL HB . 16436 1 87 . 1 1 13 13 VAL HG11 H 1 0.926 0.02 . 2 . . . . 13 VAL HG1 . 16436 1 88 . 1 1 13 13 VAL HG12 H 1 0.926 0.02 . 2 . . . . 13 VAL HG1 . 16436 1 89 . 1 1 13 13 VAL HG13 H 1 0.926 0.02 . 2 . . . . 13 VAL HG1 . 16436 1 90 . 1 1 13 13 VAL HG21 H 1 0.533 0.02 . 2 . . . . 13 VAL HG2 . 16436 1 91 . 1 1 13 13 VAL HG22 H 1 0.533 0.02 . 2 . . . . 13 VAL HG2 . 16436 1 92 . 1 1 13 13 VAL HG23 H 1 0.533 0.02 . 2 . . . . 13 VAL HG2 . 16436 1 93 . 1 1 14 14 CYS H H 1 8.695 0.02 . 1 . . . . 14 CYS H . 16436 1 94 . 1 1 14 14 CYS HA H 1 5.205 0.02 . 1 . . . . 14 CYS HA . 16436 1 95 . 1 1 14 14 CYS HB2 H 1 2.555 0.02 . 2 . . . . 14 CYS HB2 . 16436 1 96 . 1 1 14 14 CYS HB3 H 1 3.087 0.02 . 2 . . . . 14 CYS HB3 . 16436 1 97 . 1 1 15 15 GLY H H 1 9.670 0.02 . 1 . . . . 15 GLY H . 16436 1 98 . 1 1 15 15 GLY HA2 H 1 4.754 0.02 . 2 . . . . 15 GLY HA2 . 16436 1 99 . 1 1 15 15 GLY HA3 H 1 4.109 0.02 . 2 . . . . 15 GLY HA3 . 16436 1 100 . 1 1 16 16 SER H H 1 9.001 0.02 . 1 . . . . 16 SER H . 16436 1 101 . 1 1 16 16 SER HA H 1 3.982 0.02 . 1 . . . . 16 SER HA . 16436 1 102 . 1 1 16 16 SER HB2 H 1 3.756 0.02 . 2 . . . . 16 SER HB2 . 16436 1 103 . 1 1 16 16 SER HB3 H 1 3.756 0.02 . 2 . . . . 16 SER HB3 . 16436 1 104 . 1 1 17 17 ASP H H 1 8.114 0.02 . 1 . . . . 17 ASP H . 16436 1 105 . 1 1 17 17 ASP HA H 1 4.524 0.02 . 1 . . . . 17 ASP HA . 16436 1 106 . 1 1 17 17 ASP HB2 H 1 3.089 0.02 . 2 . . . . 17 ASP HB2 . 16436 1 107 . 1 1 17 17 ASP HB3 H 1 2.740 0.02 . 2 . . . . 17 ASP HB3 . 16436 1 108 . 1 1 18 18 GLY H H 1 8.360 0.02 . 1 . . . . 18 GLY H . 16436 1 109 . 1 1 18 18 GLY HA2 H 1 3.698 0.02 . 2 . . . . 18 GLY HA2 . 16436 1 110 . 1 1 18 18 GLY HA3 H 1 4.025 0.02 . 2 . . . . 18 GLY HA3 . 16436 1 111 . 1 1 19 19 ARG H H 1 7.439 0.02 . 1 . . . . 19 ARG H . 16436 1 112 . 1 1 19 19 ARG HA H 1 4.398 0.02 . 1 . . . . 19 ARG HA . 16436 1 113 . 1 1 19 19 ARG HB2 H 1 1.635 0.02 . 2 . . . . 19 ARG HB2 . 16436 1 114 . 1 1 19 19 ARG HB3 H 1 1.300 0.02 . 2 . . . . 19 ARG HB3 . 16436 1 115 . 1 1 19 19 ARG HD2 H 1 2.960 0.02 . 2 . . . . 19 ARG HD2 . 16436 1 116 . 1 1 19 19 ARG HD3 H 1 2.991 0.02 . 2 . . . . 19 ARG HD3 . 16436 1 117 . 1 1 19 19 ARG HG2 H 1 1.186 0.02 . 2 . . . . 19 ARG HG2 . 16436 1 118 . 1 1 19 19 ARG HG3 H 1 1.186 0.02 . 2 . . . . 19 ARG HG3 . 16436 1 119 . 1 1 20 20 THR H H 1 8.292 0.02 . 1 . . . . 20 THR H . 16436 1 120 . 1 1 20 20 THR HA H 1 4.950 0.02 . 1 . . . . 20 THR HA . 16436 1 121 . 1 1 20 20 THR HB H 1 3.822 0.02 . 1 . . . . 20 THR HB . 16436 1 122 . 1 1 20 20 THR HG21 H 1 1.078 0.02 . 1 . . . . 20 THR HG2 . 16436 1 123 . 1 1 20 20 THR HG22 H 1 1.078 0.02 . 1 . . . . 20 THR HG2 . 16436 1 124 . 1 1 20 20 THR HG23 H 1 1.078 0.02 . 1 . . . . 20 THR HG2 . 16436 1 125 . 1 1 21 21 TYR H H 1 9.153 0.02 . 1 . . . . 21 TYR H . 16436 1 126 . 1 1 21 21 TYR HA H 1 4.548 0.02 . 1 . . . . 21 TYR HA . 16436 1 127 . 1 1 21 21 TYR HB2 H 1 2.405 0.02 . 2 . . . . 21 TYR HB2 . 16436 1 128 . 1 1 21 21 TYR HB3 H 1 2.813 0.02 . 2 . . . . 21 TYR HB3 . 16436 1 129 . 1 1 21 21 TYR HD1 H 1 7.043 0.02 . 1 . . . . 21 TYR HD1 . 16436 1 130 . 1 1 21 21 TYR HD2 H 1 7.043 0.02 . 1 . . . . 21 TYR HD2 . 16436 1 131 . 1 1 21 21 TYR HE1 H 1 6.893 0.02 . 1 . . . . 21 TYR HE1 . 16436 1 132 . 1 1 21 21 TYR HE2 H 1 6.893 0.02 . 1 . . . . 21 TYR HE2 . 16436 1 133 . 1 1 22 22 ALA H H 1 8.884 0.02 . 1 . . . . 22 ALA H . 16436 1 134 . 1 1 22 22 ALA HA H 1 3.858 0.02 . 1 . . . . 22 ALA HA . 16436 1 135 . 1 1 22 22 ALA HB1 H 1 1.382 0.02 . 1 . . . . 22 ALA HB . 16436 1 136 . 1 1 22 22 ALA HB2 H 1 1.382 0.02 . 1 . . . . 22 ALA HB . 16436 1 137 . 1 1 22 22 ALA HB3 H 1 1.382 0.02 . 1 . . . . 22 ALA HB . 16436 1 138 . 1 1 23 23 ASN H H 1 7.112 0.02 . 1 . . . . 23 ASN H . 16436 1 139 . 1 1 23 23 ASN HA H 1 4.904 0.02 . 1 . . . . 23 ASN HA . 16436 1 140 . 1 1 23 23 ASN HB2 H 1 2.988 0.02 . 2 . . . . 23 ASN HB2 . 16436 1 141 . 1 1 23 23 ASN HB3 H 1 3.359 0.02 . 2 . . . . 23 ASN HB3 . 16436 1 142 . 1 1 23 23 ASN HD21 H 1 6.861 0.02 . 2 . . . . 23 ASN HD21 . 16436 1 143 . 1 1 23 23 ASN HD22 H 1 6.449 0.02 . 2 . . . . 23 ASN HD22 . 16436 1 144 . 1 1 24 24 SER H H 1 9.338 0.02 . 1 . . . . 24 SER H . 16436 1 145 . 1 1 24 24 SER HA H 1 3.904 0.02 . 1 . . . . 24 SER HA . 16436 1 146 . 1 1 25 25 CYS H H 1 8.018 0.02 . 1 . . . . 25 CYS H . 16436 1 147 . 1 1 25 25 CYS HA H 1 4.224 0.02 . 1 . . . . 25 CYS HA . 16436 1 148 . 1 1 25 25 CYS HB2 H 1 3.038 0.02 . 2 . . . . 25 CYS HB2 . 16436 1 149 . 1 1 25 25 CYS HB3 H 1 3.366 0.02 . 2 . . . . 25 CYS HB3 . 16436 1 150 . 1 1 26 26 ILE H H 1 8.121 0.02 . 1 . . . . 26 ILE H . 16436 1 151 . 1 1 26 26 ILE HA H 1 3.555 0.02 . 1 . . . . 26 ILE HA . 16436 1 152 . 1 1 26 26 ILE HB H 1 1.787 0.02 . 1 . . . . 26 ILE HB . 16436 1 153 . 1 1 26 26 ILE HG12 H 1 1.123 0.02 . 2 . . . . 26 ILE HG12 . 16436 1 154 . 1 1 26 26 ILE HG13 H 1 1.123 0.02 . 2 . . . . 26 ILE HG13 . 16436 1 155 . 1 1 26 26 ILE HG21 H 1 0.906 0.02 . 1 . . . . 26 ILE HG2 . 16436 1 156 . 1 1 26 26 ILE HG22 H 1 0.906 0.02 . 1 . . . . 26 ILE HG2 . 16436 1 157 . 1 1 26 26 ILE HG23 H 1 0.906 0.02 . 1 . . . . 26 ILE HG2 . 16436 1 158 . 1 1 27 27 ALA H H 1 7.235 0.02 . 1 . . . . 27 ALA H . 16436 1 159 . 1 1 27 27 ALA HA H 1 2.789 0.02 . 1 . . . . 27 ALA HA . 16436 1 160 . 1 1 27 27 ALA HB1 H 1 0.871 0.02 . 1 . . . . 27 ALA HB . 16436 1 161 . 1 1 27 27 ALA HB2 H 1 0.871 0.02 . 1 . . . . 27 ALA HB . 16436 1 162 . 1 1 27 27 ALA HB3 H 1 0.871 0.02 . 1 . . . . 27 ALA HB . 16436 1 163 . 1 1 28 28 ARG H H 1 7.934 0.02 . 1 . . . . 28 ARG H . 16436 1 164 . 1 1 28 28 ARG HA H 1 3.992 0.02 . 1 . . . . 28 ARG HA . 16436 1 165 . 1 1 28 28 ARG HB2 H 1 1.939 0.02 . 2 . . . . 28 ARG HB2 . 16436 1 166 . 1 1 28 28 ARG HB3 H 1 1.939 0.02 . 2 . . . . 28 ARG HB3 . 16436 1 167 . 1 1 28 28 ARG HD2 H 1 3.151 0.02 . 2 . . . . 28 ARG HD2 . 16436 1 168 . 1 1 28 28 ARG HD3 H 1 3.151 0.02 . 2 . . . . 28 ARG HD3 . 16436 1 169 . 1 1 28 28 ARG HE H 1 7.120 0.02 . 1 . . . . 28 ARG HE . 16436 1 170 . 1 1 28 28 ARG HG2 H 1 1.727 0.02 . 2 . . . . 28 ARG HG2 . 16436 1 171 . 1 1 28 28 ARG HG3 H 1 1.606 0.02 . 2 . . . . 28 ARG HG3 . 16436 1 172 . 1 1 29 29 CYS H H 1 8.485 0.02 . 1 . . . . 29 CYS H . 16436 1 173 . 1 1 29 29 CYS HA H 1 4.181 0.02 . 1 . . . . 29 CYS HA . 16436 1 174 . 1 1 29 29 CYS HB2 H 1 3.013 0.02 . 2 . . . . 29 CYS HB2 . 16436 1 175 . 1 1 29 29 CYS HB3 H 1 2.949 0.02 . 2 . . . . 29 CYS HB3 . 16436 1 176 . 1 1 30 30 ASN H H 1 7.464 0.02 . 1 . . . . 30 ASN H . 16436 1 177 . 1 1 30 30 ASN HA H 1 4.667 0.02 . 1 . . . . 30 ASN HA . 16436 1 178 . 1 1 30 30 ASN HB2 H 1 2.443 0.02 . 2 . . . . 30 ASN HB2 . 16436 1 179 . 1 1 30 30 ASN HB3 H 1 2.815 0.02 . 2 . . . . 30 ASN HB3 . 16436 1 180 . 1 1 30 30 ASN HD21 H 1 7.285 0.02 . 2 . . . . 30 ASN HD21 . 16436 1 181 . 1 1 30 30 ASN HD22 H 1 7.424 0.02 . 2 . . . . 30 ASN HD22 . 16436 1 182 . 1 1 31 31 GLY H H 1 7.884 0.02 . 1 . . . . 31 GLY H . 16436 1 183 . 1 1 31 31 GLY HA2 H 1 3.738 0.02 . 2 . . . . 31 GLY HA2 . 16436 1 184 . 1 1 31 31 GLY HA3 H 1 3.929 0.02 . 2 . . . . 31 GLY HA3 . 16436 1 185 . 1 1 32 32 VAL H H 1 7.270 0.02 . 1 . . . . 32 VAL H . 16436 1 186 . 1 1 32 32 VAL HA H 1 4.228 0.02 . 1 . . . . 32 VAL HA . 16436 1 187 . 1 1 32 32 VAL HB H 1 1.876 0.02 . 1 . . . . 32 VAL HB . 16436 1 188 . 1 1 32 32 VAL HG11 H 1 0.878 0.02 . 2 . . . . 32 VAL HG1 . 16436 1 189 . 1 1 32 32 VAL HG12 H 1 0.878 0.02 . 2 . . . . 32 VAL HG1 . 16436 1 190 . 1 1 32 32 VAL HG13 H 1 0.878 0.02 . 2 . . . . 32 VAL HG1 . 16436 1 191 . 1 1 32 32 VAL HG21 H 1 0.612 0.02 . 2 . . . . 32 VAL HG2 . 16436 1 192 . 1 1 32 32 VAL HG22 H 1 0.612 0.02 . 2 . . . . 32 VAL HG2 . 16436 1 193 . 1 1 32 32 VAL HG23 H 1 0.612 0.02 . 2 . . . . 32 VAL HG2 . 16436 1 194 . 1 1 33 33 SER H H 1 8.048 0.02 . 1 . . . . 33 SER H . 16436 1 195 . 1 1 33 33 SER HA H 1 4.410 0.02 . 1 . . . . 33 SER HA . 16436 1 196 . 1 1 33 33 SER HB2 H 1 3.800 0.02 . 2 . . . . 33 SER HB2 . 16436 1 197 . 1 1 33 33 SER HB3 H 1 3.780 0.02 . 2 . . . . 33 SER HB3 . 16436 1 198 . 1 1 34 34 ILE H H 1 8.571 0.02 . 1 . . . . 34 ILE H . 16436 1 199 . 1 1 34 34 ILE HA H 1 3.879 0.02 . 1 . . . . 34 ILE HA . 16436 1 200 . 1 1 34 34 ILE HB H 1 1.764 0.02 . 1 . . . . 34 ILE HB . 16436 1 201 . 1 1 34 34 ILE HD11 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16436 1 202 . 1 1 34 34 ILE HD12 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16436 1 203 . 1 1 34 34 ILE HD13 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16436 1 204 . 1 1 34 34 ILE HG12 H 1 1.382 0.02 . 2 . . . . 34 ILE HG12 . 16436 1 205 . 1 1 34 34 ILE HG13 H 1 0.940 0.02 . 2 . . . . 34 ILE HG13 . 16436 1 206 . 1 1 34 34 ILE HG21 H 1 0.775 0.02 . 1 . . . . 34 ILE HG2 . 16436 1 207 . 1 1 34 34 ILE HG22 H 1 0.775 0.02 . 1 . . . . 34 ILE HG2 . 16436 1 208 . 1 1 34 34 ILE HG23 H 1 0.775 0.02 . 1 . . . . 34 ILE HG2 . 16436 1 209 . 1 1 35 35 LYS H H 1 9.176 0.02 . 1 . . . . 35 LYS H . 16436 1 210 . 1 1 35 35 LYS HA H 1 4.251 0.02 . 1 . . . . 35 LYS HA . 16436 1 211 . 1 1 35 35 LYS HB2 H 1 1.387 0.02 . 2 . . . . 35 LYS HB2 . 16436 1 212 . 1 1 35 35 LYS HB3 H 1 1.595 0.02 . 2 . . . . 35 LYS HB3 . 16436 1 213 . 1 1 35 35 LYS HD2 H 1 1.253 0.02 . 2 . . . . 35 LYS HD2 . 16436 1 214 . 1 1 35 35 LYS HD3 H 1 1.297 0.02 . 2 . . . . 35 LYS HD3 . 16436 1 215 . 1 1 36 36 SER H H 1 7.744 0.02 . 1 . . . . 36 SER H . 16436 1 216 . 1 1 36 36 SER HA H 1 4.508 0.02 . 1 . . . . 36 SER HA . 16436 1 217 . 1 1 36 36 SER HB2 H 1 3.833 0.02 . 2 . . . . 36 SER HB2 . 16436 1 218 . 1 1 36 36 SER HB3 H 1 3.781 0.02 . 2 . . . . 36 SER HB3 . 16436 1 219 . 1 1 37 37 GLU H H 1 8.612 0.02 . 1 . . . . 37 GLU H . 16436 1 220 . 1 1 37 37 GLU HA H 1 4.314 0.02 . 1 . . . . 37 GLU HA . 16436 1 221 . 1 1 37 37 GLU HB2 H 1 2.165 0.02 . 2 . . . . 37 GLU HB2 . 16436 1 222 . 1 1 37 37 GLU HB3 H 1 1.925 0.02 . 2 . . . . 37 GLU HB3 . 16436 1 223 . 1 1 37 37 GLU HG2 H 1 2.513 0.02 . 2 . . . . 37 GLU HG2 . 16436 1 224 . 1 1 37 37 GLU HG3 H 1 2.417 0.02 . 2 . . . . 37 GLU HG3 . 16436 1 225 . 1 1 38 38 GLY H H 1 8.008 0.02 . 1 . . . . 38 GLY H . 16436 1 226 . 1 1 38 38 GLY HA2 H 1 3.489 0.02 . 2 . . . . 38 GLY HA2 . 16436 1 227 . 1 1 38 38 GLY HA3 H 1 4.234 0.02 . 2 . . . . 38 GLY HA3 . 16436 1 228 . 1 1 39 39 SER H H 1 7.780 0.02 . 1 . . . . 39 SER H . 16436 1 229 . 1 1 39 39 SER HA H 1 4.109 0.02 . 1 . . . . 39 SER HA . 16436 1 230 . 1 1 39 39 SER HB2 H 1 3.699 0.02 . 2 . . . . 39 SER HB2 . 16436 1 231 . 1 1 39 39 SER HB3 H 1 3.660 0.02 . 2 . . . . 39 SER HB3 . 16436 1 232 . 1 1 40 40 CYS H H 1 8.402 0.02 . 1 . . . . 40 CYS H . 16436 1 233 . 1 1 40 40 CYS HA H 1 4.627 0.02 . 1 . . . . 40 CYS HA . 16436 1 234 . 1 1 40 40 CYS HB2 H 1 2.442 0.02 . 2 . . . . 40 CYS HB2 . 16436 1 235 . 1 1 40 40 CYS HB3 H 1 3.040 0.02 . 2 . . . . 40 CYS HB3 . 16436 1 236 . 1 1 41 41 PRO HA H 1 4.408 0.02 . 1 . . . . 41 PRO HA . 16436 1 237 . 1 1 41 41 PRO HB2 H 1 2.226 0.02 . 2 . . . . 41 PRO HB2 . 16436 1 238 . 1 1 41 41 PRO HB3 H 1 1.860 0.02 . 2 . . . . 41 PRO HB3 . 16436 1 239 . 1 1 41 41 PRO HD2 H 1 3.591 0.02 . 2 . . . . 41 PRO HD2 . 16436 1 240 . 1 1 41 41 PRO HD3 H 1 3.697 0.02 . 2 . . . . 41 PRO HD3 . 16436 1 241 . 1 1 41 41 PRO HG2 H 1 1.959 0.02 . 2 . . . . 41 PRO HG2 . 16436 1 242 . 1 1 41 41 PRO HG3 H 1 1.959 0.02 . 2 . . . . 41 PRO HG3 . 16436 1 243 . 1 1 42 42 THR H H 1 8.192 0.02 . 1 . . . . 42 THR H . 16436 1 244 . 1 1 42 42 THR HA H 1 4.182 0.02 . 1 . . . . 42 THR HA . 16436 1 245 . 1 1 42 42 THR HB H 1 4.110 0.02 . 1 . . . . 42 THR HB . 16436 1 246 . 1 1 42 42 THR HG21 H 1 1.126 0.02 . 1 . . . . 42 THR HG2 . 16436 1 247 . 1 1 42 42 THR HG22 H 1 1.126 0.02 . 1 . . . . 42 THR HG2 . 16436 1 248 . 1 1 42 42 THR HG23 H 1 1.126 0.02 . 1 . . . . 42 THR HG2 . 16436 1 249 . 1 1 43 43 GLY H H 1 8.302 0.02 . 1 . . . . 43 GLY H . 16436 1 250 . 1 1 43 43 GLY HA2 H 1 3.900 0.02 . 2 . . . . 43 GLY HA2 . 16436 1 251 . 1 1 43 43 GLY HA3 H 1 3.900 0.02 . 2 . . . . 43 GLY HA3 . 16436 1 252 . 1 1 44 44 ILE H H 1 7.939 0.02 . 1 . . . . 44 ILE H . 16436 1 253 . 1 1 44 44 ILE HA H 1 4.235 0.02 . 1 . . . . 44 ILE HA . 16436 1 254 . 1 1 44 44 ILE HB H 1 1.847 0.02 . 1 . . . . 44 ILE HB . 16436 1 255 . 1 1 44 44 ILE HD11 H 1 0.774 0.02 . 1 . . . . 44 ILE HD1 . 16436 1 256 . 1 1 44 44 ILE HD12 H 1 0.774 0.02 . 1 . . . . 44 ILE HD1 . 16436 1 257 . 1 1 44 44 ILE HD13 H 1 0.774 0.02 . 1 . . . . 44 ILE HD1 . 16436 1 258 . 1 1 44 44 ILE HG12 H 1 1.343 0.02 . 2 . . . . 44 ILE HG12 . 16436 1 259 . 1 1 44 44 ILE HG13 H 1 1.123 0.02 . 2 . . . . 44 ILE HG13 . 16436 1 260 . 1 1 44 44 ILE HG21 H 1 0.845 0.02 . 1 . . . . 44 ILE HG2 . 16436 1 261 . 1 1 44 44 ILE HG22 H 1 0.845 0.02 . 1 . . . . 44 ILE HG2 . 16436 1 262 . 1 1 44 44 ILE HG23 H 1 0.845 0.02 . 1 . . . . 44 ILE HG2 . 16436 1 stop_ save_