################################### # 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 25605 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.050 _Assigned_chem_shift_list.Chem_shift_15N_err 0.010 _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' 1 $sample_1 isotropic 25605 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25605 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25605 1 4 '2D 1H-13C HSQC' 2 $sample_2 isotropic 25605 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 GLY H H 1 8.644 0.002 . 1 . . . A 2 GLY H . 25605 1 2 . 1 1 2 2 GLY HA2 H 1 4.007 0.011 . 2 . . . A 2 GLY HA2 . 25605 1 3 . 1 1 2 2 GLY HA3 H 1 4.026 0.008 . 2 . . . A 2 GLY HA3 . 25605 1 4 . 1 1 2 2 GLY CA C 13 44.988 0.073 . 1 . . . A 2 GLY CA . 25605 1 5 . 1 1 2 2 GLY N N 15 109.098 0.010 . 1 . . . A 2 GLY N . 25605 1 6 . 1 1 3 3 VAL H H 1 8.031 0.002 . 1 . . . A 3 VAL H . 25605 1 7 . 1 1 3 3 VAL HA H 1 4.048 0.004 . 1 . . . A 3 VAL HA . 25605 1 8 . 1 1 3 3 VAL HB H 1 1.909 0.010 . 1 . . . A 3 VAL HB . 25605 1 9 . 1 1 3 3 VAL HG11 H 1 0.825 0.008 . 1 . . . A 3 VAL HG11 . 25605 1 10 . 1 1 3 3 VAL HG12 H 1 0.825 0.008 . 1 . . . A 3 VAL HG12 . 25605 1 11 . 1 1 3 3 VAL HG13 H 1 0.825 0.008 . 1 . . . A 3 VAL HG13 . 25605 1 12 . 1 1 3 3 VAL HG21 H 1 0.738 0.004 . 1 . . . A 3 VAL HG21 . 25605 1 13 . 1 1 3 3 VAL HG22 H 1 0.738 0.004 . 1 . . . A 3 VAL HG22 . 25605 1 14 . 1 1 3 3 VAL HG23 H 1 0.738 0.004 . 1 . . . A 3 VAL HG23 . 25605 1 15 . 1 1 3 3 VAL CA C 13 61.915 0.050 . 1 . . . A 3 VAL CA . 25605 1 16 . 1 1 3 3 VAL CG1 C 13 20.959 0.050 . 1 . . . A 3 VAL CG1 . 25605 1 17 . 1 1 3 3 VAL CG2 C 13 20.623 0.050 . 1 . . . A 3 VAL CG2 . 25605 1 18 . 1 1 3 3 VAL N N 15 119.869 0.010 . 1 . . . A 3 VAL N . 25605 1 19 . 1 1 4 4 LYS H H 1 8.548 0.003 . 1 . . . A 4 LYS H . 25605 1 20 . 1 1 4 4 LYS HA H 1 4.273 0.002 . 1 . . . A 4 LYS HA . 25605 1 21 . 1 1 4 4 LYS HB2 H 1 1.795 0.003 . 1 . . . A 4 LYS HB2 . 25605 1 22 . 1 1 4 4 LYS HB3 H 1 1.795 0.003 . 1 . . . A 4 LYS HB3 . 25605 1 23 . 1 1 4 4 LYS HG2 H 1 1.351 0.004 . 2 . . . A 4 LYS HG2 . 25605 1 24 . 1 1 4 4 LYS HG3 H 1 1.357 0.010 . 2 . . . A 4 LYS HG3 . 25605 1 25 . 1 1 4 4 LYS HD2 H 1 1.654 0.003 . 1 . . . A 4 LYS HD2 . 25605 1 26 . 1 1 4 4 LYS HD3 H 1 1.654 0.003 . 1 . . . A 4 LYS HD3 . 25605 1 27 . 1 1 4 4 LYS HE2 H 1 2.957 0.006 . 2 . . . A 4 LYS HE2 . 25605 1 28 . 1 1 4 4 LYS HE3 H 1 2.958 0.005 . 2 . . . A 4 LYS HE3 . 25605 1 29 . 1 1 4 4 LYS HZ1 H 1 7.487 0.001 . 1 . . . A 4 LYS HZ1 . 25605 1 30 . 1 1 4 4 LYS HZ2 H 1 7.487 0.001 . 1 . . . A 4 LYS HZ2 . 25605 1 31 . 1 1 4 4 LYS HZ3 H 1 7.487 0.001 . 1 . . . A 4 LYS HZ3 . 25605 1 32 . 1 1 4 4 LYS CA C 13 56.197 0.050 . 1 . . . A 4 LYS CA . 25605 1 33 . 1 1 4 4 LYS CB C 13 30.638 0.050 . 1 . . . A 4 LYS CB . 25605 1 34 . 1 1 4 4 LYS CG C 13 25.084 0.050 . 1 . . . A 4 LYS CG . 25605 1 35 . 1 1 4 4 LYS CD C 13 29.065 0.050 . 1 . . . A 4 LYS CD . 25605 1 36 . 1 1 4 4 LYS CE C 13 41.972 0.050 . 1 . . . A 4 LYS CE . 25605 1 37 . 1 1 5 5 LEU H H 1 8.198 0.005 . 1 . . . A 5 LEU H . 25605 1 38 . 1 1 5 5 LEU HA H 1 4.983 0.008 . 1 . . . A 5 LEU HA . 25605 1 39 . 1 1 5 5 LEU HB2 H 1 1.575 0.002 . 1 . . . A 5 LEU HB2 . 25605 1 40 . 1 1 5 5 LEU HB3 H 1 0.898 0.001 . 1 . . . A 5 LEU HB3 . 25605 1 41 . 1 1 5 5 LEU HG H 1 1.289 0.006 . 1 . . . A 5 LEU HG . 25605 1 42 . 1 1 5 5 LEU HD11 H 1 0.583 0.003 . 1 . . . A 5 LEU HD11 . 25605 1 43 . 1 1 5 5 LEU HD12 H 1 0.583 0.003 . 1 . . . A 5 LEU HD12 . 25605 1 44 . 1 1 5 5 LEU HD13 H 1 0.583 0.003 . 1 . . . A 5 LEU HD13 . 25605 1 45 . 1 1 5 5 LEU HD21 H 1 0.000 0.003 . 1 . . . A 5 LEU HD21 . 25605 1 46 . 1 1 5 5 LEU HD22 H 1 0.000 0.003 . 1 . . . A 5 LEU HD22 . 25605 1 47 . 1 1 5 5 LEU HD23 H 1 0.000 0.003 . 1 . . . A 5 LEU HD23 . 25605 1 48 . 1 1 5 5 LEU CA C 13 53.265 0.050 . 1 . . . A 5 LEU CA . 25605 1 49 . 1 1 5 5 LEU CB C 13 44.504 0.004 . 1 . . . A 5 LEU CB . 25605 1 50 . 1 1 5 5 LEU CG C 13 26.249 0.050 . 1 . . . A 5 LEU CG . 25605 1 51 . 1 1 5 5 LEU CD1 C 13 25.475 0.050 . 1 . . . A 5 LEU CD1 . 25605 1 52 . 1 1 5 5 LEU CD2 C 13 22.415 0.050 . 1 . . . A 5 LEU CD2 . 25605 1 53 . 1 1 5 5 LEU N N 15 123.800 0.010 . 1 . . . A 5 LEU N . 25605 1 54 . 1 1 6 6 CYS H H 1 9.409 0.001 . 1 . . . A 6 CYS H . 25605 1 55 . 1 1 6 6 CYS HA H 1 4.907 0.004 . 1 . . . A 6 CYS HA . 25605 1 56 . 1 1 6 6 CYS HB2 H 1 2.747 0.004 . 1 . . . A 6 CYS HB2 . 25605 1 57 . 1 1 6 6 CYS HB3 H 1 2.833 0.002 . 1 . . . A 6 CYS HB3 . 25605 1 58 . 1 1 6 6 CYS CA C 13 58.402 0.050 . 1 . . . A 6 CYS CA . 25605 1 59 . 1 1 6 6 CYS N N 15 121.818 0.010 . 1 . . . A 6 CYS N . 25605 1 60 . 1 1 7 7 ASP H H 1 8.504 0.003 . 1 . . . A 7 ASP H . 25605 1 61 . 1 1 7 7 ASP HA H 1 5.290 0.005 . 1 . . . A 7 ASP HA . 25605 1 62 . 1 1 7 7 ASP HB2 H 1 2.400 0.012 . 1 . . . A 7 ASP HB2 . 25605 1 63 . 1 1 7 7 ASP HB3 H 1 2.188 0.005 . 1 . . . A 7 ASP HB3 . 25605 1 64 . 1 1 7 7 ASP CA C 13 54.035 0.050 . 1 . . . A 7 ASP CA . 25605 1 65 . 1 1 7 7 ASP CB C 13 42.047 0.010 . 1 . . . A 7 ASP CB . 25605 1 66 . 1 1 7 7 ASP N N 15 128.015 0.010 . 1 . . . A 7 ASP N . 25605 1 67 . 1 1 8 8 VAL H H 1 9.341 0.002 . 1 . . . A 8 VAL H . 25605 1 68 . 1 1 8 8 VAL HA H 1 4.777 0.011 . 1 . . . A 8 VAL HA . 25605 1 69 . 1 1 8 8 VAL HB H 1 1.877 0.005 . 1 . . . A 8 VAL HB . 25605 1 70 . 1 1 8 8 VAL HG11 H 1 0.820 0.004 . 1 . . . A 8 VAL HG11 . 25605 1 71 . 1 1 8 8 VAL HG12 H 1 0.820 0.004 . 1 . . . A 8 VAL HG12 . 25605 1 72 . 1 1 8 8 VAL HG13 H 1 0.820 0.004 . 1 . . . A 8 VAL HG13 . 25605 1 73 . 1 1 8 8 VAL HG21 H 1 0.720 0.009 . 1 . . . A 8 VAL HG21 . 25605 1 74 . 1 1 8 8 VAL HG22 H 1 0.720 0.009 . 1 . . . A 8 VAL HG22 . 25605 1 75 . 1 1 8 8 VAL HG23 H 1 0.720 0.009 . 1 . . . A 8 VAL HG23 . 25605 1 76 . 1 1 8 8 VAL CB C 13 30.752 0.050 . 1 . . . A 8 VAL CB . 25605 1 77 . 1 1 8 8 VAL CG1 C 13 20.396 0.050 . 1 . . . A 8 VAL CG1 . 25605 1 78 . 1 1 8 8 VAL CG2 C 13 19.868 0.050 . 1 . . . A 8 VAL CG2 . 25605 1 79 . 1 1 8 8 VAL N N 15 121.916 0.010 . 1 . . . A 8 VAL N . 25605 1 80 . 1 1 9 9 PRO HA H 1 3.739 0.007 . 1 . . . A 9 PRO HA . 25605 1 81 . 1 1 9 9 PRO HB2 H 1 1.946 0.002 . 2 . . . A 9 PRO HB2 . 25605 1 82 . 1 1 9 9 PRO HB3 H 1 1.744 0.006 . 2 . . . A 9 PRO HB3 . 25605 1 83 . 1 1 9 9 PRO HG2 H 1 1.894 0.005 . 2 . . . A 9 PRO HG2 . 25605 1 84 . 1 1 9 9 PRO HG3 H 1 2.117 0.001 . 2 . . . A 9 PRO HG3 . 25605 1 85 . 1 1 9 9 PRO HD2 H 1 3.725 0.006 . 2 . . . A 9 PRO HD2 . 25605 1 86 . 1 1 9 9 PRO HD3 H 1 3.866 0.005 . 2 . . . A 9 PRO HD3 . 25605 1 87 . 1 1 9 9 PRO CA C 13 63.759 0.050 . 1 . . . A 9 PRO CA . 25605 1 88 . 1 1 9 9 PRO CB C 13 31.589 0.065 . 1 . . . A 9 PRO CB . 25605 1 89 . 1 1 9 9 PRO CG C 13 27.912 0.021 . 1 . . . A 9 PRO CG . 25605 1 90 . 1 1 9 9 PRO CD C 13 50.651 0.013 . 1 . . . A 9 PRO CD . 25605 1 91 . 1 1 10 10 SER H H 1 7.948 0.002 . 1 . . . A 10 SER H . 25605 1 92 . 1 1 10 10 SER HA H 1 4.528 0.004 . 1 . . . A 10 SER HA . 25605 1 93 . 1 1 10 10 SER HB2 H 1 3.526 0.002 . 2 . . . A 10 SER HB2 . 25605 1 94 . 1 1 10 10 SER HB3 H 1 3.926 0.001 . 2 . . . A 10 SER HB3 . 25605 1 95 . 1 1 10 10 SER CA C 13 58.298 0.050 . 1 . . . A 10 SER CA . 25605 1 96 . 1 1 10 10 SER CB C 13 63.746 0.050 . 1 . . . A 10 SER CB . 25605 1 97 . 1 1 10 10 SER N N 15 116.537 0.010 . 1 . . . A 10 SER N . 25605 1 98 . 1 1 11 11 GLY H H 1 10.294 0.003 . 1 . . . A 11 GLY H . 25605 1 99 . 1 1 11 11 GLY HA2 H 1 3.868 0.001 . 2 . . . A 11 GLY HA2 . 25605 1 100 . 1 1 11 11 GLY HA3 H 1 4.290 0.003 . 2 . . . A 11 GLY HA3 . 25605 1 101 . 1 1 11 11 GLY CA C 13 45.168 0.005 . 1 . . . A 11 GLY CA . 25605 1 102 . 1 1 12 12 THR H H 1 8.184 0.001 . 1 . . . A 12 THR H . 25605 1 103 . 1 1 12 12 THR HA H 1 4.490 0.006 . 1 . . . A 12 THR HA . 25605 1 104 . 1 1 12 12 THR HB H 1 4.119 0.005 . 1 . . . A 12 THR HB . 25605 1 105 . 1 1 12 12 THR HG21 H 1 1.069 0.002 . 1 . . . A 12 THR HG21 . 25605 1 106 . 1 1 12 12 THR HG22 H 1 1.069 0.002 . 1 . . . A 12 THR HG22 . 25605 1 107 . 1 1 12 12 THR HG23 H 1 1.069 0.002 . 1 . . . A 12 THR HG23 . 25605 1 108 . 1 1 12 12 THR CA C 13 62.040 0.050 . 1 . . . A 12 THR CA . 25605 1 109 . 1 1 12 12 THR CB C 13 69.828 0.050 . 1 . . . A 12 THR CB . 25605 1 110 . 1 1 12 12 THR CG2 C 13 21.623 0.050 . 1 . . . A 12 THR CG2 . 25605 1 111 . 1 1 12 12 THR N N 15 119.855 0.010 . 1 . . . A 12 THR N . 25605 1 112 . 1 1 13 13 TRP H H 1 8.069 0.003 . 1 . . . A 13 TRP H . 25605 1 113 . 1 1 13 13 TRP HA H 1 4.168 0.004 . 1 . . . A 13 TRP HA . 25605 1 114 . 1 1 13 13 TRP HB2 H 1 3.165 0.004 . 1 . . . A 13 TRP HB2 . 25605 1 115 . 1 1 13 13 TRP HB3 H 1 3.082 0.005 . 1 . . . A 13 TRP HB3 . 25605 1 116 . 1 1 13 13 TRP HD1 H 1 7.049 0.004 . 1 . . . A 13 TRP HD1 . 25605 1 117 . 1 1 13 13 TRP HE1 H 1 8.749 0.001 . 1 . . . A 13 TRP HE1 . 25605 1 118 . 1 1 13 13 TRP HE3 H 1 7.387 0.005 . 1 . . . A 13 TRP HE3 . 25605 1 119 . 1 1 13 13 TRP HZ2 H 1 7.768 0.009 . 1 . . . A 13 TRP HZ2 . 25605 1 120 . 1 1 13 13 TRP HZ3 H 1 6.852 0.004 . 1 . . . A 13 TRP HZ3 . 25605 1 121 . 1 1 13 13 TRP HH2 H 1 7.169 0.002 . 1 . . . A 13 TRP HH2 . 25605 1 122 . 1 1 13 13 TRP CA C 13 60.197 0.050 . 1 . . . A 13 TRP CA . 25605 1 123 . 1 1 13 13 TRP CB C 13 28.530 0.065 . 1 . . . A 13 TRP CB . 25605 1 124 . 1 1 13 13 TRP CD1 C 13 128.435 0.050 . 1 . . . A 13 TRP CD1 . 25605 1 125 . 1 1 13 13 TRP CE3 C 13 120.452 0.050 . 1 . . . A 13 TRP CE3 . 25605 1 126 . 1 1 13 13 TRP CZ2 C 13 114.414 0.050 . 1 . . . A 13 TRP CZ2 . 25605 1 127 . 1 1 13 13 TRP CZ3 C 13 121.173 0.050 . 1 . . . A 13 TRP CZ3 . 25605 1 128 . 1 1 13 13 TRP CH2 C 13 123.989 0.050 . 1 . . . A 13 TRP CH2 . 25605 1 129 . 1 1 13 13 TRP N N 15 125.473 0.010 . 1 . . . A 13 TRP N . 25605 1 130 . 1 1 14 14 SER H H 1 7.441 0.004 . 1 . . . A 14 SER H . 25605 1 131 . 1 1 14 14 SER HA H 1 4.575 0.003 . 1 . . . A 14 SER HA . 25605 1 132 . 1 1 14 14 SER HB2 H 1 3.548 0.008 . 2 . . . A 14 SER HB2 . 25605 1 133 . 1 1 14 14 SER HB3 H 1 3.569 0.011 . 2 . . . A 14 SER HB3 . 25605 1 134 . 1 1 14 14 SER CB C 13 64.433 0.050 . 1 . . . A 14 SER CB . 25605 1 135 . 1 1 14 14 SER N N 15 122.343 0.010 . 1 . . . A 14 SER N . 25605 1 136 . 1 1 15 15 GLY H H 1 8.331 0.005 . 1 . . . A 15 GLY H . 25605 1 137 . 1 1 15 15 GLY HA2 H 1 3.879 0.005 . 2 . . . A 15 GLY HA2 . 25605 1 138 . 1 1 15 15 GLY HA3 H 1 4.068 0.003 . 2 . . . A 15 GLY HA3 . 25605 1 139 . 1 1 15 15 GLY CA C 13 44.122 0.056 . 1 . . . A 15 GLY CA . 25605 1 140 . 1 1 15 15 GLY N N 15 110.941 0.010 . 1 . . . A 15 GLY N . 25605 1 141 . 1 1 16 16 HIS H H 1 8.824 0.003 . 1 . . . A 16 HIS H . 25605 1 142 . 1 1 16 16 HIS HA H 1 4.527 0.004 . 1 . . . A 16 HIS HA . 25605 1 143 . 1 1 16 16 HIS HB2 H 1 3.228 0.002 . 2 . . . A 16 HIS HB2 . 25605 1 144 . 1 1 16 16 HIS HB3 H 1 3.325 0.003 . 2 . . . A 16 HIS HB3 . 25605 1 145 . 1 1 16 16 HIS HD2 H 1 7.327 0.007 . 1 . . . A 16 HIS HD2 . 25605 1 146 . 1 1 16 16 HIS HE1 H 1 8.665 0.001 . 1 . . . A 16 HIS HE1 . 25605 1 147 . 1 1 16 16 HIS CD2 C 13 119.923 0.050 . 1 . . . A 16 HIS CD2 . 25605 1 148 . 1 1 16 16 HIS CE1 C 13 136.655 0.050 . 1 . . . A 16 HIS CE1 . 25605 1 149 . 1 1 16 16 HIS N N 15 118.837 0.010 . 1 . . . A 16 HIS N . 25605 1 150 . 1 1 17 17 CYS H H 1 8.287 0.006 . 1 . . . A 17 CYS H . 25605 1 151 . 1 1 17 17 CYS HA H 1 4.736 0.006 . 1 . . . A 17 CYS HA . 25605 1 152 . 1 1 17 17 CYS HB2 H 1 1.869 0.005 . 1 . . . A 17 CYS HB2 . 25605 1 153 . 1 1 17 17 CYS HB3 H 1 2.906 0.006 . 1 . . . A 17 CYS HB3 . 25605 1 154 . 1 1 17 17 CYS CA C 13 55.028 0.050 . 1 . . . A 17 CYS CA . 25605 1 155 . 1 1 17 17 CYS N N 15 128.452 0.010 . 1 . . . A 17 CYS N . 25605 1 156 . 1 1 18 18 GLY H H 1 8.502 0.005 . 1 . . . A 18 GLY H . 25605 1 157 . 1 1 18 18 GLY HA2 H 1 3.846 0.003 . 2 . . . A 18 GLY HA2 . 25605 1 158 . 1 1 18 18 GLY HA3 H 1 4.261 0.003 . 2 . . . A 18 GLY HA3 . 25605 1 159 . 1 1 18 18 GLY CA C 13 45.098 0.064 . 1 . . . A 18 GLY CA . 25605 1 160 . 1 1 18 18 GLY N N 15 114.186 0.010 . 1 . . . A 18 GLY N . 25605 1 161 . 1 1 19 19 SER H H 1 7.228 0.005 . 1 . . . A 19 SER H . 25605 1 162 . 1 1 19 19 SER HA H 1 4.830 0.010 . 1 . . . A 19 SER HA . 25605 1 163 . 1 1 19 19 SER HB2 H 1 3.776 0.004 . 1 . . . A 19 SER HB2 . 25605 1 164 . 1 1 19 19 SER HB3 H 1 4.041 0.004 . 1 . . . A 19 SER HB3 . 25605 1 165 . 1 1 19 19 SER CB C 13 63.432 0.100 . 1 . . . A 19 SER CB . 25605 1 166 . 1 1 19 19 SER N N 15 112.984 0.010 . 1 . . . A 19 SER N . 25605 1 167 . 1 1 20 20 SER H H 1 9.478 0.001 . 1 . . . A 20 SER H . 25605 1 168 . 1 1 20 20 SER HA H 1 4.207 0.006 . 1 . . . A 20 SER HA . 25605 1 169 . 1 1 20 20 SER HB2 H 1 4.046 0.006 . 1 . . . A 20 SER HB2 . 25605 1 170 . 1 1 20 20 SER HB3 H 1 4.046 0.006 . 1 . . . A 20 SER HB3 . 25605 1 171 . 1 1 20 20 SER CA C 13 59.683 0.050 . 1 . . . A 20 SER CA . 25605 1 172 . 1 1 20 20 SER CB C 13 62.922 0.050 . 1 . . . A 20 SER CB . 25605 1 173 . 1 1 20 20 SER N N 15 129.026 0.010 . 1 . . . A 20 SER N . 25605 1 174 . 1 1 21 21 SER H H 1 8.524 0.003 . 1 . . . A 21 SER H . 25605 1 175 . 1 1 21 21 SER HA H 1 4.273 0.007 . 1 . . . A 21 SER HA . 25605 1 176 . 1 1 21 21 SER HB2 H 1 3.873 0.007 . 1 . . . A 21 SER HB2 . 25605 1 177 . 1 1 21 21 SER HB3 H 1 3.873 0.007 . 1 . . . A 21 SER HB3 . 25605 1 178 . 1 1 21 21 SER CA C 13 59.245 0.050 . 1 . . . A 21 SER CA . 25605 1 179 . 1 1 21 21 SER CB C 13 63.806 0.050 . 1 . . . A 21 SER CB . 25605 1 180 . 1 1 22 22 LYS H H 1 7.911 0.002 . 1 . . . A 22 LYS H . 25605 1 181 . 1 1 22 22 LYS HA H 1 4.256 0.008 . 1 . . . A 22 LYS HA . 25605 1 182 . 1 1 22 22 LYS HB2 H 1 2.077 0.003 . 2 . . . A 22 LYS HB2 . 25605 1 183 . 1 1 22 22 LYS HB3 H 1 2.193 0.002 . 2 . . . A 22 LYS HB3 . 25605 1 184 . 1 1 22 22 LYS HG2 H 1 1.617 0.003 . 2 . . . A 22 LYS HG2 . 25605 1 185 . 1 1 22 22 LYS HG3 H 1 1.719 0.003 . 2 . . . A 22 LYS HG3 . 25605 1 186 . 1 1 22 22 LYS HD2 H 1 1.843 0.003 . 2 . . . A 22 LYS HD2 . 25605 1 187 . 1 1 22 22 LYS HD3 H 1 1.846 0.003 . 2 . . . A 22 LYS HD3 . 25605 1 188 . 1 1 22 22 LYS HE2 H 1 3.038 0.003 . 1 . . . A 22 LYS HE2 . 25605 1 189 . 1 1 22 22 LYS HE3 H 1 3.038 0.003 . 1 . . . A 22 LYS HE3 . 25605 1 190 . 1 1 22 22 LYS HZ1 H 1 7.597 0.005 . 1 . . . A 22 LYS HZ1 . 25605 1 191 . 1 1 22 22 LYS HZ2 H 1 7.597 0.005 . 1 . . . A 22 LYS HZ2 . 25605 1 192 . 1 1 22 22 LYS HZ3 H 1 7.597 0.005 . 1 . . . A 22 LYS HZ3 . 25605 1 193 . 1 1 22 22 LYS CA C 13 56.886 0.050 . 1 . . . A 22 LYS CA . 25605 1 194 . 1 1 22 22 LYS N N 15 124.019 0.010 . 1 . . . A 22 LYS N . 25605 1 195 . 1 1 23 23 CYS H H 1 7.600 0.004 . 1 . . . A 23 CYS H . 25605 1 196 . 1 1 23 23 CYS HA H 1 4.234 0.011 . 1 . . . A 23 CYS HA . 25605 1 197 . 1 1 23 23 CYS HB2 H 1 2.324 0.003 . 1 . . . A 23 CYS HB2 . 25605 1 198 . 1 1 23 23 CYS HB3 H 1 2.324 0.003 . 1 . . . A 23 CYS HB3 . 25605 1 199 . 1 1 23 23 CYS CA C 13 61.269 0.050 . 1 . . . A 23 CYS CA . 25605 1 200 . 1 1 23 23 CYS N N 15 119.457 0.010 . 1 . . . A 23 CYS N . 25605 1 201 . 1 1 24 24 SER H H 1 8.528 0.003 . 1 . . . A 24 SER H . 25605 1 202 . 1 1 24 24 SER HA H 1 4.284 0.007 . 1 . . . A 24 SER HA . 25605 1 203 . 1 1 24 24 SER HB2 H 1 3.677 0.003 . 2 . . . A 24 SER HB2 . 25605 1 204 . 1 1 24 24 SER HB3 H 1 4.152 0.005 . 2 . . . A 24 SER HB3 . 25605 1 205 . 1 1 25 25 GLN H H 1 8.063 0.005 . 1 . . . A 25 GLN H . 25605 1 206 . 1 1 25 25 GLN HA H 1 3.995 0.002 . 1 . . . A 25 GLN HA . 25605 1 207 . 1 1 25 25 GLN HB2 H 1 2.255 0.006 . 1 . . . A 25 GLN HB2 . 25605 1 208 . 1 1 25 25 GLN HB3 H 1 2.255 0.006 . 1 . . . A 25 GLN HB3 . 25605 1 209 . 1 1 25 25 GLN HG2 H 1 2.452 0.003 . 2 . . . A 25 GLN HG2 . 25605 1 210 . 1 1 25 25 GLN HG3 H 1 2.573 0.005 . 2 . . . A 25 GLN HG3 . 25605 1 211 . 1 1 25 25 GLN HE21 H 1 6.906 0.002 . 2 . . . A 25 GLN HE21 . 25605 1 212 . 1 1 25 25 GLN HE22 H 1 7.676 0.005 . 2 . . . A 25 GLN HE22 . 25605 1 213 . 1 1 25 25 GLN CA C 13 55.020 0.050 . 1 . . . A 25 GLN CA . 25605 1 214 . 1 1 25 25 GLN CB C 13 28.399 0.050 . 1 . . . A 25 GLN CB . 25605 1 215 . 1 1 25 25 GLN CG C 13 33.484 0.008 . 1 . . . A 25 GLN CG . 25605 1 216 . 1 1 25 25 GLN N N 15 117.248 0.010 . 1 . . . A 25 GLN N . 25605 1 217 . 1 1 25 25 GLN NE2 N 15 112.827 0.010 . 1 . . . A 25 GLN NE2 . 25605 1 218 . 1 1 26 26 GLN H H 1 8.248 0.003 . 1 . . . A 26 GLN H . 25605 1 219 . 1 1 26 26 GLN HA H 1 4.176 0.002 . 1 . . . A 26 GLN HA . 25605 1 220 . 1 1 26 26 GLN HB2 H 1 2.538 0.006 . 1 . . . A 26 GLN HB2 . 25605 1 221 . 1 1 26 26 GLN HB3 H 1 2.402 0.010 . 1 . . . A 26 GLN HB3 . 25605 1 222 . 1 1 26 26 GLN HG2 H 1 2.452 0.002 . 2 . . . A 26 GLN HG2 . 25605 1 223 . 1 1 26 26 GLN HG3 H 1 2.531 0.007 . 2 . . . A 26 GLN HG3 . 25605 1 224 . 1 1 26 26 GLN HE21 H 1 7.870 0.002 . 1 . . . A 26 GLN HE21 . 25605 1 225 . 1 1 26 26 GLN HE22 H 1 6.646 0.003 . 1 . . . A 26 GLN HE22 . 25605 1 226 . 1 1 26 26 GLN CB C 13 27.792 0.003 . 1 . . . A 26 GLN CB . 25605 1 227 . 1 1 27 27 CYS H H 1 8.797 0.001 . 1 . . . A 27 CYS H . 25605 1 228 . 1 1 27 27 CYS HA H 1 4.335 0.004 . 1 . . . A 27 CYS HA . 25605 1 229 . 1 1 27 27 CYS HB2 H 1 3.125 0.002 . 2 . . . A 27 CYS HB2 . 25605 1 230 . 1 1 27 27 CYS HB3 H 1 3.131 0.009 . 2 . . . A 27 CYS HB3 . 25605 1 231 . 1 1 27 27 CYS N N 15 119.429 0.010 . 1 . . . A 27 CYS N . 25605 1 232 . 1 1 28 28 LYS H H 1 8.329 0.010 . 1 . . . A 28 LYS H . 25605 1 233 . 1 1 28 28 LYS HA H 1 4.355 0.003 . 1 . . . A 28 LYS HA . 25605 1 234 . 1 1 28 28 LYS HB2 H 1 1.819 0.003 . 1 . . . A 28 LYS HB2 . 25605 1 235 . 1 1 28 28 LYS HB3 H 1 1.819 0.003 . 1 . . . A 28 LYS HB3 . 25605 1 236 . 1 1 28 28 LYS HG2 H 1 1.481 0.004 . 1 . . . A 28 LYS HG2 . 25605 1 237 . 1 1 28 28 LYS HG3 H 1 1.481 0.004 . 1 . . . A 28 LYS HG3 . 25605 1 238 . 1 1 28 28 LYS HD2 H 1 1.631 0.002 . 1 . . . A 28 LYS HD2 . 25605 1 239 . 1 1 28 28 LYS HD3 H 1 1.631 0.002 . 1 . . . A 28 LYS HD3 . 25605 1 240 . 1 1 28 28 LYS HE2 H 1 2.919 0.003 . 1 . . . A 28 LYS HE2 . 25605 1 241 . 1 1 28 28 LYS HE3 H 1 2.919 0.003 . 1 . . . A 28 LYS HE3 . 25605 1 242 . 1 1 28 28 LYS HZ1 H 1 7.543 0.005 . 1 . . . A 28 LYS HZ1 . 25605 1 243 . 1 1 28 28 LYS HZ2 H 1 7.543 0.005 . 1 . . . A 28 LYS HZ2 . 25605 1 244 . 1 1 28 28 LYS HZ3 H 1 7.543 0.005 . 1 . . . A 28 LYS HZ3 . 25605 1 245 . 1 1 28 28 LYS N N 15 115.684 0.010 . 1 . . . A 28 LYS N . 25605 1 246 . 1 1 29 29 ASP H H 1 9.021 0.003 . 1 . . . A 29 ASP H . 25605 1 247 . 1 1 29 29 ASP HA H 1 4.492 0.004 . 1 . . . A 29 ASP HA . 25605 1 248 . 1 1 29 29 ASP HB2 H 1 2.837 0.002 . 2 . . . A 29 ASP HB2 . 25605 1 249 . 1 1 29 29 ASP HB3 H 1 2.901 0.008 . 2 . . . A 29 ASP HB3 . 25605 1 250 . 1 1 29 29 ASP N N 15 117.769 0.010 . 1 . . . A 29 ASP N . 25605 1 251 . 1 1 30 30 ARG H H 1 8.340 0.003 . 1 . . . A 30 ARG H . 25605 1 252 . 1 1 30 30 ARG HA H 1 4.490 0.004 . 1 . . . A 30 ARG HA . 25605 1 253 . 1 1 30 30 ARG HB2 H 1 2.035 0.008 . 1 . . . A 30 ARG HB2 . 25605 1 254 . 1 1 30 30 ARG HB3 H 1 2.035 0.008 . 1 . . . A 30 ARG HB3 . 25605 1 255 . 1 1 30 30 ARG HG2 H 1 1.666 0.008 . 2 . . . A 30 ARG HG2 . 25605 1 256 . 1 1 30 30 ARG HG3 H 1 1.765 0.003 . 2 . . . A 30 ARG HG3 . 25605 1 257 . 1 1 30 30 ARG HD2 H 1 3.193 0.002 . 1 . . . A 30 ARG HD2 . 25605 1 258 . 1 1 30 30 ARG HD3 H 1 3.193 0.002 . 1 . . . A 30 ARG HD3 . 25605 1 259 . 1 1 30 30 ARG HE H 1 7.364 0.001 . 1 . . . A 30 ARG HE . 25605 1 260 . 1 1 31 31 GLU H H 1 6.895 0.004 . 1 . . . A 31 GLU H . 25605 1 261 . 1 1 31 31 GLU HA H 1 4.389 0.003 . 1 . . . A 31 GLU HA . 25605 1 262 . 1 1 31 31 GLU HB2 H 1 2.232 0.002 . 2 . . . A 31 GLU HB2 . 25605 1 263 . 1 1 31 31 GLU HB3 H 1 2.285 0.005 . 2 . . . A 31 GLU HB3 . 25605 1 264 . 1 1 31 31 GLU HG2 H 1 2.675 0.005 . 2 . . . A 31 GLU HG2 . 25605 1 265 . 1 1 31 31 GLU HG3 H 1 2.753 0.006 . 2 . . . A 31 GLU HG3 . 25605 1 266 . 1 1 31 31 GLU N N 15 114.001 0.010 . 1 . . . A 31 GLU N . 25605 1 267 . 1 1 32 32 HIS H H 1 6.841 0.002 . 1 . . . A 32 HIS H . 25605 1 268 . 1 1 32 32 HIS HA H 1 4.394 0.003 . 1 . . . A 32 HIS HA . 25605 1 269 . 1 1 32 32 HIS HB2 H 1 3.353 0.004 . 1 . . . A 32 HIS HB2 . 25605 1 270 . 1 1 32 32 HIS HB3 H 1 3.353 0.004 . 1 . . . A 32 HIS HB3 . 25605 1 271 . 1 1 32 32 HIS HD2 H 1 7.116 0.006 . 1 . . . A 32 HIS HD2 . 25605 1 272 . 1 1 32 32 HIS HE1 H 1 8.571 0.009 . 1 . . . A 32 HIS HE1 . 25605 1 273 . 1 1 32 32 HIS CB C 13 28.445 0.050 . 1 . . . A 32 HIS CB . 25605 1 274 . 1 1 32 32 HIS CD2 C 13 119.572 0.050 . 1 . . . A 32 HIS CD2 . 25605 1 275 . 1 1 32 32 HIS CE1 C 13 135.943 0.050 . 1 . . . A 32 HIS CE1 . 25605 1 276 . 1 1 32 32 HIS N N 15 110.470 0.010 . 1 . . . A 32 HIS N . 25605 1 277 . 1 1 33 33 PHE H H 1 8.607 0.002 . 1 . . . A 33 PHE H . 25605 1 278 . 1 1 33 33 PHE HA H 1 4.883 0.007 . 1 . . . A 33 PHE HA . 25605 1 279 . 1 1 33 33 PHE HB2 H 1 2.690 0.004 . 1 . . . A 33 PHE HB2 . 25605 1 280 . 1 1 33 33 PHE HB3 H 1 3.536 0.006 . 1 . . . A 33 PHE HB3 . 25605 1 281 . 1 1 33 33 PHE HD1 H 1 7.447 0.008 . 3 . . . A 33 PHE HD1 . 25605 1 282 . 1 1 33 33 PHE HD2 H 1 7.447 0.008 . 3 . . . A 33 PHE HD2 . 25605 1 283 . 1 1 33 33 PHE HE1 H 1 7.375 0.009 . 3 . . . A 33 PHE HE1 . 25605 1 284 . 1 1 33 33 PHE HE2 H 1 7.375 0.009 . 3 . . . A 33 PHE HE2 . 25605 1 285 . 1 1 33 33 PHE CD1 C 13 131.849 0.050 . 3 . . . A 33 PHE CD1 . 25605 1 286 . 1 1 33 33 PHE CD2 C 13 131.849 0.050 . 3 . . . A 33 PHE CD2 . 25605 1 287 . 1 1 33 33 PHE CE1 C 13 130.264 0.050 . 3 . . . A 33 PHE CE1 . 25605 1 288 . 1 1 33 33 PHE CE2 C 13 130.264 0.050 . 3 . . . A 33 PHE CE2 . 25605 1 289 . 1 1 33 33 PHE N N 15 119.898 0.010 . 1 . . . A 33 PHE N . 25605 1 290 . 1 1 34 34 ALA H H 1 8.567 0.002 . 1 . . . A 34 ALA H . 25605 1 291 . 1 1 34 34 ALA HA H 1 3.996 0.001 . 1 . . . A 34 ALA HA . 25605 1 292 . 1 1 34 34 ALA HB1 H 1 1.263 0.003 . 1 . . . A 34 ALA HB1 . 25605 1 293 . 1 1 34 34 ALA HB2 H 1 1.263 0.003 . 1 . . . A 34 ALA HB2 . 25605 1 294 . 1 1 34 34 ALA HB3 H 1 1.263 0.003 . 1 . . . A 34 ALA HB3 . 25605 1 295 . 1 1 34 34 ALA CA C 13 58.732 0.050 . 1 . . . A 34 ALA CA . 25605 1 296 . 1 1 34 34 ALA CB C 13 18.729 0.067 . 1 . . . A 34 ALA CB . 25605 1 297 . 1 1 35 35 TYR H H 1 9.080 0.002 . 1 . . . A 35 TYR H . 25605 1 298 . 1 1 35 35 TYR HA H 1 4.336 0.011 . 1 . . . A 35 TYR HA . 25605 1 299 . 1 1 35 35 TYR HB2 H 1 3.135 0.010 . 1 . . . A 35 TYR HB2 . 25605 1 300 . 1 1 35 35 TYR HB3 H 1 2.726 0.007 . 1 . . . A 35 TYR HB3 . 25605 1 301 . 1 1 35 35 TYR HD1 H 1 7.296 0.006 . 3 . . . A 35 TYR HD1 . 25605 1 302 . 1 1 35 35 TYR HD2 H 1 7.296 0.006 . 3 . . . A 35 TYR HD2 . 25605 1 303 . 1 1 35 35 TYR HE1 H 1 6.829 0.003 . 3 . . . A 35 TYR HE1 . 25605 1 304 . 1 1 35 35 TYR HE2 H 1 6.829 0.003 . 3 . . . A 35 TYR HE2 . 25605 1 305 . 1 1 35 35 TYR CD1 C 13 133.351 0.050 . 3 . . . A 35 TYR CD1 . 25605 1 306 . 1 1 35 35 TYR CD2 C 13 133.351 0.050 . 3 . . . A 35 TYR CD2 . 25605 1 307 . 1 1 35 35 TYR CE1 C 13 117.810 0.050 . 3 . . . A 35 TYR CE1 . 25605 1 308 . 1 1 35 35 TYR CE2 C 13 117.810 0.050 . 3 . . . A 35 TYR CE2 . 25605 1 309 . 1 1 35 35 TYR N N 15 113.001 0.010 . 1 . . . A 35 TYR N . 25605 1 310 . 1 1 36 36 GLY H H 1 8.232 0.004 . 1 . . . A 36 GLY H . 25605 1 311 . 1 1 36 36 GLY HA2 H 1 3.598 0.005 . 2 . . . A 36 GLY HA2 . 25605 1 312 . 1 1 36 36 GLY HA3 H 1 4.178 0.002 . 2 . . . A 36 GLY HA3 . 25605 1 313 . 1 1 36 36 GLY CA C 13 45.137 0.050 . 1 . . . A 36 GLY CA . 25605 1 314 . 1 1 36 36 GLY N N 15 108.566 0.010 . 1 . . . A 36 GLY N . 25605 1 315 . 1 1 37 37 GLY H H 1 7.890 0.001 . 1 . . . A 37 GLY H . 25605 1 316 . 1 1 37 37 GLY HA2 H 1 4.383 0.009 . 2 . . . A 37 GLY HA2 . 25605 1 317 . 1 1 37 37 GLY HA3 H 1 4.571 0.005 . 2 . . . A 37 GLY HA3 . 25605 1 318 . 1 1 37 37 GLY CA C 13 46.598 0.022 . 1 . . . A 37 GLY CA . 25605 1 319 . 1 1 38 38 ALA H H 1 9.057 0.002 . 1 . . . A 38 ALA H . 25605 1 320 . 1 1 38 38 ALA HA H 1 4.298 0.006 . 1 . . . A 38 ALA HA . 25605 1 321 . 1 1 38 38 ALA HB1 H 1 1.389 0.003 . 1 . . . A 38 ALA HB1 . 25605 1 322 . 1 1 38 38 ALA HB2 H 1 1.389 0.003 . 1 . . . A 38 ALA HB2 . 25605 1 323 . 1 1 38 38 ALA HB3 H 1 1.389 0.003 . 1 . . . A 38 ALA HB3 . 25605 1 324 . 1 1 38 38 ALA CA C 13 53.232 0.050 . 1 . . . A 38 ALA CA . 25605 1 325 . 1 1 38 38 ALA CB C 13 21.884 0.050 . 1 . . . A 38 ALA CB . 25605 1 326 . 1 1 38 38 ALA N N 15 125.415 0.010 . 1 . . . A 38 ALA N . 25605 1 327 . 1 1 39 39 CYS H H 1 8.376 0.002 . 1 . . . A 39 CYS H . 25605 1 328 . 1 1 39 39 CYS HA H 1 5.452 0.005 . 1 . . . A 39 CYS HA . 25605 1 329 . 1 1 39 39 CYS HB2 H 1 2.662 0.001 . 1 . . . A 39 CYS HB2 . 25605 1 330 . 1 1 39 39 CYS HB3 H 1 2.513 0.005 . 1 . . . A 39 CYS HB3 . 25605 1 331 . 1 1 39 39 CYS CA C 13 52.231 0.050 . 1 . . . A 39 CYS CA . 25605 1 332 . 1 1 39 39 CYS N N 15 119.246 0.010 . 1 . . . A 39 CYS N . 25605 1 333 . 1 1 40 40 HIS H H 1 9.476 0.002 . 1 . . . A 40 HIS H . 25605 1 334 . 1 1 40 40 HIS HA H 1 4.865 0.005 . 1 . . . A 40 HIS HA . 25605 1 335 . 1 1 40 40 HIS HB2 H 1 3.036 0.006 . 2 . . . A 40 HIS HB2 . 25605 1 336 . 1 1 40 40 HIS HB3 H 1 3.039 0.011 . 2 . . . A 40 HIS HB3 . 25605 1 337 . 1 1 40 40 HIS HD2 H 1 6.722 0.001 . 1 . . . A 40 HIS HD2 . 25605 1 338 . 1 1 40 40 HIS HE1 H 1 8.314 0.005 . 1 . . . A 40 HIS HE1 . 25605 1 339 . 1 1 40 40 HIS CB C 13 31.749 0.050 . 1 . . . A 40 HIS CB . 25605 1 340 . 1 1 40 40 HIS N N 15 119.364 0.010 . 1 . . . A 40 HIS N . 25605 1 341 . 1 1 41 41 TYR H H 1 9.046 0.003 . 1 . . . A 41 TYR H . 25605 1 342 . 1 1 41 41 TYR HA H 1 4.531 0.002 . 1 . . . A 41 TYR HA . 25605 1 343 . 1 1 41 41 TYR HB2 H 1 3.022 0.008 . 1 . . . A 41 TYR HB2 . 25605 1 344 . 1 1 41 41 TYR HB3 H 1 2.842 0.012 . 1 . . . A 41 TYR HB3 . 25605 1 345 . 1 1 41 41 TYR HD1 H 1 6.980 0.008 . 3 . . . A 41 TYR HD1 . 25605 1 346 . 1 1 41 41 TYR HD2 H 1 6.980 0.008 . 3 . . . A 41 TYR HD2 . 25605 1 347 . 1 1 41 41 TYR HE1 H 1 6.782 0.005 . 3 . . . A 41 TYR HE1 . 25605 1 348 . 1 1 41 41 TYR HE2 H 1 6.782 0.005 . 3 . . . A 41 TYR HE2 . 25605 1 349 . 1 1 41 41 TYR CD1 C 13 133.315 0.050 . 3 . . . A 41 TYR CD1 . 25605 1 350 . 1 1 41 41 TYR CD2 C 13 133.315 0.050 . 3 . . . A 41 TYR CD2 . 25605 1 351 . 1 1 41 41 TYR CE1 C 13 117.853 0.050 . 3 . . . A 41 TYR CE1 . 25605 1 352 . 1 1 41 41 TYR CE2 C 13 117.853 0.050 . 3 . . . A 41 TYR CE2 . 25605 1 353 . 1 1 42 42 GLN H H 1 8.169 0.003 . 1 . . . A 42 GLN H . 25605 1 354 . 1 1 42 42 GLN HA H 1 4.085 0.003 . 1 . . . A 42 GLN HA . 25605 1 355 . 1 1 42 42 GLN HB2 H 1 1.946 0.003 . 2 . . . A 42 GLN HB2 . 25605 1 356 . 1 1 42 42 GLN HB3 H 1 1.947 0.004 . 2 . . . A 42 GLN HB3 . 25605 1 357 . 1 1 42 42 GLN HG2 H 1 2.195 0.006 . 2 . . . A 42 GLN HG2 . 25605 1 358 . 1 1 42 42 GLN HG3 H 1 2.337 0.004 . 2 . . . A 42 GLN HG3 . 25605 1 359 . 1 1 42 42 GLN HE21 H 1 6.972 0.003 . 2 . . . A 42 GLN HE21 . 25605 1 360 . 1 1 42 42 GLN HE22 H 1 7.750 0.002 . 2 . . . A 42 GLN HE22 . 25605 1 361 . 1 1 42 42 GLN CG C 13 34.049 0.006 . 1 . . . A 42 GLN CG . 25605 1 362 . 1 1 42 42 GLN N N 15 124.759 0.010 . 1 . . . A 42 GLN N . 25605 1 363 . 1 1 42 42 GLN NE2 N 15 112.488 0.012 . 1 . . . A 42 GLN NE2 . 25605 1 364 . 1 1 43 43 PHE H H 1 8.800 0.001 . 1 . . . A 43 PHE H . 25605 1 365 . 1 1 43 43 PHE HA H 1 4.096 0.003 . 1 . . . A 43 PHE HA . 25605 1 366 . 1 1 43 43 PHE HB2 H 1 2.891 0.005 . 2 . . . A 43 PHE HB2 . 25605 1 367 . 1 1 43 43 PHE HB3 H 1 3.257 0.004 . 2 . . . A 43 PHE HB3 . 25605 1 368 . 1 1 43 43 PHE HD1 H 1 7.381 0.003 . 3 . . . A 43 PHE HD1 . 25605 1 369 . 1 1 43 43 PHE HD2 H 1 7.381 0.003 . 3 . . . A 43 PHE HD2 . 25605 1 370 . 1 1 44 44 PRO HA H 1 3.948 0.003 . 1 . . . A 44 PRO HA . 25605 1 371 . 1 1 44 44 PRO HB2 H 1 1.982 0.007 . 2 . . . A 44 PRO HB2 . 25605 1 372 . 1 1 44 44 PRO HB3 H 1 0.673 0.009 . 2 . . . A 44 PRO HB3 . 25605 1 373 . 1 1 44 44 PRO HG2 H 1 1.473 0.004 . 2 . . . A 44 PRO HG2 . 25605 1 374 . 1 1 44 44 PRO HG3 H 1 1.662 0.004 . 2 . . . A 44 PRO HG3 . 25605 1 375 . 1 1 44 44 PRO HD2 H 1 3.280 0.008 . 2 . . . A 44 PRO HD2 . 25605 1 376 . 1 1 44 44 PRO HD3 H 1 3.286 0.010 . 2 . . . A 44 PRO HD3 . 25605 1 377 . 1 1 44 44 PRO CA C 13 64.712 0.050 . 1 . . . A 44 PRO CA . 25605 1 378 . 1 1 44 44 PRO CB C 13 33.500 0.006 . 1 . . . A 44 PRO CB . 25605 1 379 . 1 1 44 44 PRO CD C 13 48.629 0.035 . 1 . . . A 44 PRO CD . 25605 1 380 . 1 1 45 45 SER H H 1 8.392 0.003 . 1 . . . A 45 SER H . 25605 1 381 . 1 1 45 45 SER HA H 1 4.946 0.005 . 1 . . . A 45 SER HA . 25605 1 382 . 1 1 45 45 SER HB2 H 1 3.681 0.007 . 2 . . . A 45 SER HB2 . 25605 1 383 . 1 1 45 45 SER HB3 H 1 3.703 0.010 . 2 . . . A 45 SER HB3 . 25605 1 384 . 1 1 45 45 SER CA C 13 57.931 0.050 . 1 . . . A 45 SER CA . 25605 1 385 . 1 1 45 45 SER CB C 13 66.241 0.016 . 1 . . . A 45 SER CB . 25605 1 386 . 1 1 45 45 SER N N 15 120.658 0.010 . 1 . . . A 45 SER N . 25605 1 387 . 1 1 46 46 VAL H H 1 8.548 0.004 . 1 . . . A 46 VAL H . 25605 1 388 . 1 1 46 46 VAL HA H 1 4.342 0.003 . 1 . . . A 46 VAL HA . 25605 1 389 . 1 1 46 46 VAL HB H 1 1.921 0.004 . 1 . . . A 46 VAL HB . 25605 1 390 . 1 1 46 46 VAL HG11 H 1 1.137 0.004 . 1 . . . A 46 VAL HG11 . 25605 1 391 . 1 1 46 46 VAL HG12 H 1 1.137 0.004 . 1 . . . A 46 VAL HG12 . 25605 1 392 . 1 1 46 46 VAL HG13 H 1 1.137 0.004 . 1 . . . A 46 VAL HG13 . 25605 1 393 . 1 1 46 46 VAL HG21 H 1 0.903 0.002 . 1 . . . A 46 VAL HG21 . 25605 1 394 . 1 1 46 46 VAL HG22 H 1 0.903 0.002 . 1 . . . A 46 VAL HG22 . 25605 1 395 . 1 1 46 46 VAL HG23 H 1 0.903 0.002 . 1 . . . A 46 VAL HG23 . 25605 1 396 . 1 1 47 47 LYS H H 1 8.350 0.002 . 1 . . . A 47 LYS H . 25605 1 397 . 1 1 47 47 LYS HA H 1 4.559 0.004 . 1 . . . A 47 LYS HA . 25605 1 398 . 1 1 47 47 LYS HB2 H 1 1.422 0.004 . 2 . . . A 47 LYS HB2 . 25605 1 399 . 1 1 47 47 LYS HB3 H 1 1.684 0.002 . 2 . . . A 47 LYS HB3 . 25605 1 400 . 1 1 47 47 LYS HG2 H 1 1.245 0.003 . 2 . . . A 47 LYS HG2 . 25605 1 401 . 1 1 47 47 LYS HG3 H 1 1.350 0.004 . 2 . . . A 47 LYS HG3 . 25605 1 402 . 1 1 47 47 LYS HD3 H 1 1.549 0.005 . 2 . . . A 47 LYS HD3 . 25605 1 403 . 1 1 47 47 LYS HE2 H 1 2.906 0.004 . 1 . . . A 47 LYS HE2 . 25605 1 404 . 1 1 47 47 LYS HE3 H 1 2.906 0.004 . 1 . . . A 47 LYS HE3 . 25605 1 405 . 1 1 47 47 LYS CB C 13 33.327 0.050 . 1 . . . A 47 LYS CB . 25605 1 406 . 1 1 47 47 LYS CG C 13 25.127 0.050 . 1 . . . A 47 LYS CG . 25605 1 407 . 1 1 47 47 LYS CD C 13 29.262 0.050 . 1 . . . A 47 LYS CD . 25605 1 408 . 1 1 47 47 LYS CE C 13 41.709 0.050 . 1 . . . A 47 LYS CE . 25605 1 409 . 1 1 48 48 CYS H H 1 8.868 0.004 . 1 . . . A 48 CYS H . 25605 1 410 . 1 1 48 48 CYS HA H 1 4.653 0.006 . 1 . . . A 48 CYS HA . 25605 1 411 . 1 1 48 48 CYS HB2 H 1 1.683 0.003 . 2 . . . A 48 CYS HB2 . 25605 1 412 . 1 1 48 48 CYS HB3 H 1 2.148 0.001 . 2 . . . A 48 CYS HB3 . 25605 1 413 . 1 1 48 48 CYS N N 15 123.704 0.010 . 1 . . . A 48 CYS N . 25605 1 414 . 1 1 49 49 PHE H H 1 8.534 0.004 . 1 . . . A 49 PHE H . 25605 1 415 . 1 1 49 49 PHE HA H 1 4.773 0.006 . 1 . . . A 49 PHE HA . 25605 1 416 . 1 1 49 49 PHE HB2 H 1 2.806 0.003 . 1 . . . A 49 PHE HB2 . 25605 1 417 . 1 1 49 49 PHE HB3 H 1 2.555 0.002 . 1 . . . A 49 PHE HB3 . 25605 1 418 . 1 1 49 49 PHE HD1 H 1 6.824 0.005 . 3 . . . A 49 PHE HD1 . 25605 1 419 . 1 1 49 49 PHE HD2 H 1 6.824 0.005 . 3 . . . A 49 PHE HD2 . 25605 1 420 . 1 1 49 49 PHE HE1 H 1 7.213 0.004 . 3 . . . A 49 PHE HE1 . 25605 1 421 . 1 1 49 49 PHE HE2 H 1 7.213 0.004 . 3 . . . A 49 PHE HE2 . 25605 1 422 . 1 1 49 49 PHE CB C 13 41.036 0.088 . 1 . . . A 49 PHE CB . 25605 1 423 . 1 1 49 49 PHE CD1 C 13 131.323 0.050 . 3 . . . A 49 PHE CD1 . 25605 1 424 . 1 1 49 49 PHE CD2 C 13 131.323 0.050 . 3 . . . A 49 PHE CD2 . 25605 1 425 . 1 1 49 49 PHE CE1 C 13 131.505 0.050 . 3 . . . A 49 PHE CE1 . 25605 1 426 . 1 1 49 49 PHE CE2 C 13 131.505 0.050 . 3 . . . A 49 PHE CE2 . 25605 1 427 . 1 1 50 50 CYS H H 1 8.995 0.003 . 1 . . . A 50 CYS H . 25605 1 428 . 1 1 50 50 CYS HA H 1 5.366 0.002 . 1 . . . A 50 CYS HA . 25605 1 429 . 1 1 50 50 CYS HB2 H 1 2.451 0.004 . 2 . . . A 50 CYS HB2 . 25605 1 430 . 1 1 50 50 CYS HB3 H 1 1.396 0.008 . 2 . . . A 50 CYS HB3 . 25605 1 431 . 1 1 50 50 CYS CA C 13 51.653 0.050 . 1 . . . A 50 CYS CA . 25605 1 432 . 1 1 50 50 CYS N N 15 121.520 0.010 . 1 . . . A 50 CYS N . 25605 1 433 . 1 1 51 51 LYS H H 1 8.213 0.006 . 1 . . . A 51 LYS H . 25605 1 434 . 1 1 51 51 LYS HA H 1 4.994 0.008 . 1 . . . A 51 LYS HA . 25605 1 435 . 1 1 51 51 LYS HB2 H 1 1.372 0.003 . 2 . . . A 51 LYS HB2 . 25605 1 436 . 1 1 51 51 LYS HB3 H 1 1.373 0.003 . 2 . . . A 51 LYS HB3 . 25605 1 437 . 1 1 51 51 LYS HG2 H 1 1.123 0.004 . 1 . . . A 51 LYS HG2 . 25605 1 438 . 1 1 51 51 LYS HG3 H 1 1.123 0.004 . 1 . . . A 51 LYS HG3 . 25605 1 439 . 1 1 51 51 LYS HD2 H 1 1.378 0.002 . 2 . . . A 51 LYS HD2 . 25605 1 440 . 1 1 51 51 LYS HD3 H 1 1.535 0.009 . 2 . . . A 51 LYS HD3 . 25605 1 441 . 1 1 51 51 LYS HE2 H 1 2.772 0.009 . 1 . . . A 51 LYS HE2 . 25605 1 442 . 1 1 51 51 LYS HE3 H 1 2.772 0.009 . 1 . . . A 51 LYS HE3 . 25605 1 443 . 1 1 51 51 LYS HZ1 H 1 7.548 0.005 . 1 . . . A 51 LYS HZ1 . 25605 1 444 . 1 1 51 51 LYS HZ2 H 1 7.548 0.005 . 1 . . . A 51 LYS HZ2 . 25605 1 445 . 1 1 51 51 LYS HZ3 H 1 7.548 0.005 . 1 . . . A 51 LYS HZ3 . 25605 1 446 . 1 1 51 51 LYS CA C 13 54.366 0.050 . 1 . . . A 51 LYS CA . 25605 1 447 . 1 1 51 51 LYS CB C 13 35.300 0.050 . 1 . . . A 51 LYS CB . 25605 1 448 . 1 1 51 51 LYS CG C 13 25.210 0.050 . 1 . . . A 51 LYS CG . 25605 1 449 . 1 1 51 51 LYS CD C 13 29.060 0.050 . 1 . . . A 51 LYS CD . 25605 1 450 . 1 1 51 51 LYS CE C 13 41.912 0.050 . 1 . . . A 51 LYS CE . 25605 1 451 . 1 1 51 51 LYS N N 15 120.278 0.010 . 1 . . . A 51 LYS N . 25605 1 452 . 1 1 52 52 ARG H H 1 8.835 0.009 . 1 . . . A 52 ARG H . 25605 1 453 . 1 1 52 52 ARG HA H 1 4.882 0.008 . 1 . . . A 52 ARG HA . 25605 1 454 . 1 1 52 52 ARG HB2 H 1 1.977 0.003 . 1 . . . A 52 ARG HB2 . 25605 1 455 . 1 1 52 52 ARG HB3 H 1 1.851 0.001 . 1 . . . A 52 ARG HB3 . 25605 1 456 . 1 1 52 52 ARG HG2 H 1 1.563 0.006 . 2 . . . A 52 ARG HG2 . 25605 1 457 . 1 1 52 52 ARG HG3 H 1 1.596 0.011 . 2 . . . A 52 ARG HG3 . 25605 1 458 . 1 1 52 52 ARG HD2 H 1 3.213 0.006 . 2 . . . A 52 ARG HD2 . 25605 1 459 . 1 1 52 52 ARG HD3 H 1 3.230 0.012 . 2 . . . A 52 ARG HD3 . 25605 1 460 . 1 1 52 52 ARG HE H 1 7.198 0.001 . 1 . . . A 52 ARG HE . 25605 1 461 . 1 1 52 52 ARG CG C 13 26.069 0.050 . 1 . . . A 52 ARG CG . 25605 1 462 . 1 1 52 52 ARG N N 15 119.315 0.010 . 1 . . . A 52 ARG N . 25605 1 463 . 1 1 53 53 GLN H H 1 9.035 0.002 . 1 . . . A 53 GLN H . 25605 1 464 . 1 1 53 53 GLN HA H 1 4.538 0.005 . 1 . . . A 53 GLN HA . 25605 1 465 . 1 1 53 53 GLN HB2 H 1 2.045 0.004 . 2 . . . A 53 GLN HB2 . 25605 1 466 . 1 1 53 53 GLN HB3 H 1 2.158 0.002 . 2 . . . A 53 GLN HB3 . 25605 1 467 . 1 1 53 53 GLN HG2 H 1 2.430 0.002 . 1 . . . A 53 GLN HG2 . 25605 1 468 . 1 1 53 53 GLN HG3 H 1 2.430 0.002 . 1 . . . A 53 GLN HG3 . 25605 1 469 . 1 1 53 53 GLN HE21 H 1 7.066 0.005 . 2 . . . A 53 GLN HE21 . 25605 1 470 . 1 1 53 53 GLN HE22 H 1 7.701 0.005 . 2 . . . A 53 GLN HE22 . 25605 1 471 . 1 1 54 54 CYS H H 1 8.507 0.008 . 1 . . . A 54 CYS H . 25605 1 472 . 1 1 54 54 CYS HA H 1 4.578 0.002 . 1 . . . A 54 CYS HA . 25605 1 473 . 1 1 54 54 CYS HB2 H 1 3.156 0.005 . 1 . . . A 54 CYS HB2 . 25605 1 474 . 1 1 54 54 CYS HB3 H 1 3.156 0.005 . 1 . . . A 54 CYS HB3 . 25605 1 475 . 1 1 54 54 CYS N N 15 121.414 0.010 . 1 . . . A 54 CYS N . 25605 1 stop_ save_