################################### # 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 16705 _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 NOESY' . . . 16705 1 3 '2D 1H-15N HSQC' . . . 16705 1 4 '2D 1H-13C HSQC' . . . 16705 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 GLU HA H 1 4.039 0.008 . 1 . . . . 1 GLU HA . 16705 1 2 . 1 1 1 1 GLU HB2 H 1 2.141 0.001 . 1 . . . . 1 GLU HB2 . 16705 1 3 . 1 1 1 1 GLU HB3 H 1 2.141 0.001 . 1 . . . . 1 GLU HB3 . 16705 1 4 . 1 1 1 1 GLU HG2 H 1 2.537 0.004 . 1 . . . . 1 GLU HG2 . 16705 1 5 . 1 1 1 1 GLU HG3 H 1 2.537 0.004 . 1 . . . . 1 GLU HG3 . 16705 1 6 . 1 1 2 2 ALA H H 1 8.664 0.001 . 1 . . . . 2 ALA H . 16705 1 7 . 1 1 2 2 ALA HA H 1 4.318 0.010 . 1 . . . . 2 ALA HA . 16705 1 8 . 1 1 2 2 ALA HB1 H 1 1.350 0.003 . 1 . . . . 2 ALA QB . 16705 1 9 . 1 1 2 2 ALA HB2 H 1 1.350 0.003 . 1 . . . . 2 ALA QB . 16705 1 10 . 1 1 2 2 ALA HB3 H 1 1.350 0.003 . 1 . . . . 2 ALA QB . 16705 1 11 . 1 1 2 2 ALA CA C 13 52.355 0.2 . 1 . . . . 2 ALA CA . 16705 1 12 . 1 1 2 2 ALA CB C 13 19.296 0.2 . 1 . . . . 2 ALA CB . 16705 1 13 . 1 1 2 2 ALA N N 15 127.276 0.2 . 1 . . . . 2 ALA N . 16705 1 14 . 1 1 3 3 ALA H H 1 8.287 0.002 . 1 . . . . 3 ALA H . 16705 1 15 . 1 1 3 3 ALA HA H 1 4.288 0.010 . 1 . . . . 3 ALA HA . 16705 1 16 . 1 1 3 3 ALA HB1 H 1 1.317 0.002 . 1 . . . . 3 ALA QB . 16705 1 17 . 1 1 3 3 ALA HB2 H 1 1.317 0.002 . 1 . . . . 3 ALA QB . 16705 1 18 . 1 1 3 3 ALA HB3 H 1 1.317 0.002 . 1 . . . . 3 ALA QB . 16705 1 19 . 1 1 3 3 ALA CA C 13 52.097 0.2 . 1 . . . . 3 ALA CA . 16705 1 20 . 1 1 3 3 ALA CB C 13 19.401 0.2 . 1 . . . . 3 ALA CB . 16705 1 21 . 1 1 3 3 ALA N N 15 124.256 0.2 . 1 . . . . 3 ALA N . 16705 1 22 . 1 1 4 4 VAL H H 1 8.100 0.001 . 1 . . . . 4 VAL H . 16705 1 23 . 1 1 4 4 VAL HA H 1 3.959 0.007 . 1 . . . . 4 VAL HA . 16705 1 24 . 1 1 4 4 VAL HB H 1 1.944 0.004 . 1 . . . . 4 VAL HB . 16705 1 25 . 1 1 4 4 VAL HG11 H 1 0.867 0.005 . 2 . . . . 4 VAL QG1 . 16705 1 26 . 1 1 4 4 VAL HG12 H 1 0.867 0.005 . 2 . . . . 4 VAL QG1 . 16705 1 27 . 1 1 4 4 VAL HG13 H 1 0.867 0.005 . 2 . . . . 4 VAL QG1 . 16705 1 28 . 1 1 4 4 VAL HG21 H 1 0.851 0.001 . 2 . . . . 4 VAL QG2 . 16705 1 29 . 1 1 4 4 VAL HG22 H 1 0.851 0.001 . 2 . . . . 4 VAL QG2 . 16705 1 30 . 1 1 4 4 VAL HG23 H 1 0.851 0.001 . 2 . . . . 4 VAL QG2 . 16705 1 31 . 1 1 4 4 VAL CA C 13 62.161 0.2 . 1 . . . . 4 VAL CA . 16705 1 32 . 1 1 4 4 VAL CB C 13 32.625 0.2 . 1 . . . . 4 VAL CB . 16705 1 33 . 1 1 4 4 VAL CG1 C 13 21.091 0.2 . 1 . . . . 4 VAL CG1 . 16705 1 34 . 1 1 4 4 VAL CG2 C 13 20.332 0.2 . 1 . . . . 4 VAL CG2 . 16705 1 35 . 1 1 4 4 VAL N N 15 119.974 0.2 . 1 . . . . 4 VAL N . 16705 1 36 . 1 1 5 5 CYS H H 1 7.641 0.001 . 1 . . . . 5 CYS H . 16705 1 37 . 1 1 5 5 CYS HA H 1 4.598 0.036 . 1 . . . . 5 CYS HA . 16705 1 38 . 1 1 5 5 CYS HB2 H 1 2.026 0.003 . 1 . . . . 5 CYS HB2 . 16705 1 39 . 1 1 5 5 CYS HB3 H 1 0.628 0.003 . 1 . . . . 5 CYS HB3 . 16705 1 40 . 1 1 5 5 CYS CB C 13 35.024 0.2 . 1 . . . . 5 CYS CB . 16705 1 41 . 1 1 5 5 CYS N N 15 121.566 0.2 . 1 . . . . 5 CYS N . 16705 1 42 . 1 1 6 6 THR H H 1 8.369 0.002 . 1 . . . . 6 THR H . 16705 1 43 . 1 1 6 6 THR HA H 1 4.598 0.043 . 1 . . . . 6 THR HA . 16705 1 44 . 1 1 6 6 THR HB H 1 4.535 0.026 . 1 . . . . 6 THR HB . 16705 1 45 . 1 1 6 6 THR HG21 H 1 1.265 0.002 . 1 . . . . 6 THR QG2 . 16705 1 46 . 1 1 6 6 THR HG22 H 1 1.265 0.002 . 1 . . . . 6 THR QG2 . 16705 1 47 . 1 1 6 6 THR HG23 H 1 1.265 0.002 . 1 . . . . 6 THR QG2 . 16705 1 48 . 1 1 6 6 THR CG2 C 13 21.133 0.2 . 1 . . . . 6 THR CG2 . 16705 1 49 . 1 1 6 6 THR N N 15 112.404 0.2 . 1 . . . . 6 THR N . 16705 1 50 . 1 1 7 7 ALA H H 1 8.586 0.002 . 1 . . . . 7 ALA H . 16705 1 51 . 1 1 7 7 ALA HA H 1 4.841 0.034 . 1 . . . . 7 ALA HA . 16705 1 52 . 1 1 7 7 ALA HB1 H 1 1.525 0.002 . 1 . . . . 7 ALA QB . 16705 1 53 . 1 1 7 7 ALA HB2 H 1 1.525 0.002 . 1 . . . . 7 ALA QB . 16705 1 54 . 1 1 7 7 ALA HB3 H 1 1.525 0.002 . 1 . . . . 7 ALA QB . 16705 1 55 . 1 1 7 7 ALA CB C 13 18.570 0.2 . 1 . . . . 7 ALA CB . 16705 1 56 . 1 1 7 7 ALA N N 15 122.470 0.2 . 1 . . . . 7 ALA N . 16705 1 57 . 1 1 8 8 GLU H H 1 7.598 0.002 . 1 . . . . 8 GLU H . 16705 1 58 . 1 1 8 8 GLU HA H 1 4.107 0.008 . 1 . . . . 8 GLU HA . 16705 1 59 . 1 1 8 8 GLU HB2 H 1 1.964 0.002 . 1 . . . . 8 GLU HB2 . 16705 1 60 . 1 1 8 8 GLU HB3 H 1 2.069 0.005 . 1 . . . . 8 GLU HB3 . 16705 1 61 . 1 1 8 8 GLU HG2 H 1 2.482 0.002 . 2 . . . . 8 GLU HG2 . 16705 1 62 . 1 1 8 8 GLU HG3 H 1 2.377 0.004 . 2 . . . . 8 GLU HG3 . 16705 1 63 . 1 1 8 8 GLU CA C 13 57.141 0.2 . 1 . . . . 8 GLU CA . 16705 1 64 . 1 1 8 8 GLU CB C 13 28.623 0.2 . 1 . . . . 8 GLU CB . 16705 1 65 . 1 1 8 8 GLU CG C 13 32.736 0.006 . 1 . . . . 8 GLU CG . 16705 1 66 . 1 1 8 8 GLU N N 15 120.173 0.2 . 1 . . . . 8 GLU N . 16705 1 67 . 1 1 9 9 TRP H H 1 8.825 0.003 . 1 . . . . 9 TRP H . 16705 1 68 . 1 1 9 9 TRP HA H 1 4.981 0.016 . 1 . . . . 9 TRP HA . 16705 1 69 . 1 1 9 9 TRP HB2 H 1 3.397 0.003 . 1 . . . . 9 TRP HB2 . 16705 1 70 . 1 1 9 9 TRP HB3 H 1 3.200 0.003 . 1 . . . . 9 TRP HB3 . 16705 1 71 . 1 1 9 9 TRP HD1 H 1 7.234 0.004 . 1 . . . . 9 TRP HD1 . 16705 1 72 . 1 1 9 9 TRP HE1 H 1 10.154 0.001 . 1 . . . . 9 TRP HE1 . 16705 1 73 . 1 1 9 9 TRP HE3 H 1 7.739 0.002 . 1 . . . . 9 TRP HE3 . 16705 1 74 . 1 1 9 9 TRP HH2 H 1 7.113 0.002 . 1 . . . . 9 TRP HH2 . 16705 1 75 . 1 1 9 9 TRP HZ2 H 1 7.460 0.002 . 1 . . . . 9 TRP HZ2 . 16705 1 76 . 1 1 9 9 TRP HZ3 H 1 7.051 0.002 . 1 . . . . 9 TRP HZ3 . 16705 1 77 . 1 1 9 9 TRP CB C 13 29.331 0.017 . 1 . . . . 9 TRP CB . 16705 1 78 . 1 1 9 9 TRP N N 15 127.473 0.2 . 1 . . . . 9 TRP N . 16705 1 79 . 1 1 9 9 TRP NE1 N 15 129.283 0.2 . 1 . . . . 9 TRP NE1 . 16705 1 80 . 1 1 10 10 ASP H H 1 8.809 0.003 . 1 . . . . 10 ASP H . 16705 1 81 . 1 1 10 10 ASP HA H 1 4.683 0.02 . 1 . . . . 10 ASP HA . 16705 1 82 . 1 1 10 10 ASP HB2 H 1 2.713 0.001 . 1 . . . . 10 ASP HB2 . 16705 1 83 . 1 1 10 10 ASP HB3 H 1 2.713 0.001 . 1 . . . . 10 ASP HB3 . 16705 1 84 . 1 1 10 10 ASP CB C 13 37.762 0.2 . 1 . . . . 10 ASP CB . 16705 1 85 . 1 1 10 10 ASP N N 15 125.754 0.2 . 1 . . . . 10 ASP N . 16705 1 86 . 1 1 11 11 PRO HA H 1 4.088 0.006 . 1 . . . . 11 PRO HA . 16705 1 87 . 1 1 11 11 PRO HB2 H 1 1.018 0.002 . 1 . . . . 11 PRO HB2 . 16705 1 88 . 1 1 11 11 PRO HB3 H 1 0.729 0.003 . 1 . . . . 11 PRO HB3 . 16705 1 89 . 1 1 11 11 PRO HD2 H 1 3.200 0.003 . 1 . . . . 11 PRO HD2 . 16705 1 90 . 1 1 11 11 PRO HD3 H 1 1.176 0.003 . 1 . . . . 11 PRO HD3 . 16705 1 91 . 1 1 11 11 PRO HG2 H 1 1.527 0.003 . 1 . . . . 11 PRO HG2 . 16705 1 92 . 1 1 11 11 PRO HG3 H 1 1.395 0.002 . 1 . . . . 11 PRO HG3 . 16705 1 93 . 1 1 11 11 PRO CB C 13 33.175 0.2 . 1 . . . . 11 PRO CB . 16705 1 94 . 1 1 11 11 PRO CD C 13 49.055 0.2 . 1 . . . . 11 PRO CD . 16705 1 95 . 1 1 11 11 PRO CG C 13 27.704 0.006 . 1 . . . . 11 PRO CG . 16705 1 96 . 1 1 12 12 VAL H H 1 8.089 0.002 . 1 . . . . 12 VAL H . 16705 1 97 . 1 1 12 12 VAL HA H 1 4.444 0.014 . 1 . . . . 12 VAL HA . 16705 1 98 . 1 1 12 12 VAL HB H 1 1.830 0.004 . 1 . . . . 12 VAL HB . 16705 1 99 . 1 1 12 12 VAL HG11 H 1 0.848 0.004 . 1 . . . . 12 VAL QG1 . 16705 1 100 . 1 1 12 12 VAL HG12 H 1 0.848 0.004 . 1 . . . . 12 VAL QG1 . 16705 1 101 . 1 1 12 12 VAL HG13 H 1 0.848 0.004 . 1 . . . . 12 VAL QG1 . 16705 1 102 . 1 1 12 12 VAL HG21 H 1 0.605 0.002 . 1 . . . . 12 VAL QG2 . 16705 1 103 . 1 1 12 12 VAL HG22 H 1 0.605 0.002 . 1 . . . . 12 VAL QG2 . 16705 1 104 . 1 1 12 12 VAL HG23 H 1 0.605 0.002 . 1 . . . . 12 VAL QG2 . 16705 1 105 . 1 1 12 12 VAL CA C 13 59.493 0.2 . 1 . . . . 12 VAL CA . 16705 1 106 . 1 1 12 12 VAL CB C 13 35.316 0.2 . 1 . . . . 12 VAL CB . 16705 1 107 . 1 1 12 12 VAL CG1 C 13 22.666 0.2 . 1 . . . . 12 VAL CG1 . 16705 1 108 . 1 1 12 12 VAL CG2 C 13 20.618 0.2 . 1 . . . . 12 VAL CG2 . 16705 1 109 . 1 1 12 12 VAL N N 15 110.146 0.2 . 1 . . . . 12 VAL N . 16705 1 110 . 1 1 13 13 CYS H H 1 8.388 0.003 . 1 . . . . 13 CYS H . 16705 1 111 . 1 1 13 13 CYS HA H 1 5.216 0.008 . 1 . . . . 13 CYS HA . 16705 1 112 . 1 1 13 13 CYS HB2 H 1 2.403 0.002 . 1 . . . . 13 CYS HB2 . 16705 1 113 . 1 1 13 13 CYS HB3 H 1 1.303 0.002 . 1 . . . . 13 CYS HB3 . 16705 1 114 . 1 1 13 13 CYS CB C 13 38.464 0.2 . 1 . . . . 13 CYS CB . 16705 1 115 . 1 1 13 13 CYS N N 15 120.334 0.2 . 1 . . . . 13 CYS N . 16705 1 116 . 1 1 14 14 GLY H H 1 9.584 0.003 . 1 . . . . 14 GLY H . 16705 1 117 . 1 1 14 14 GLY HA2 H 1 4.662 0.02 . 1 . . . . 14 GLY HA2 . 16705 1 118 . 1 1 14 14 GLY HA3 H 1 4.147 0.006 . 1 . . . . 14 GLY HA3 . 16705 1 119 . 1 1 14 14 GLY CA C 13 45.725 0.2 . 1 . . . . 14 GLY CA . 16705 1 120 . 1 1 14 14 GLY N N 15 116.464 0.2 . 1 . . . . 14 GLY N . 16705 1 121 . 1 1 15 15 LYS H H 1 8.808 0.002 . 1 . . . . 15 LYS H . 16705 1 122 . 1 1 15 15 LYS HA H 1 4.003 0.006 . 1 . . . . 15 LYS HA . 16705 1 123 . 1 1 15 15 LYS HB2 H 1 1.999 0.003 . 2 . . . . 15 LYS HB2 . 16705 1 124 . 1 1 15 15 LYS HB3 H 1 1.720 0.003 . 2 . . . . 15 LYS HB3 . 16705 1 125 . 1 1 15 15 LYS HD2 H 1 1.670 0.002 . 2 . . . . 15 LYS HD2 . 16705 1 126 . 1 1 15 15 LYS HD3 H 1 1.611 0.002 . 2 . . . . 15 LYS HD3 . 16705 1 127 . 1 1 15 15 LYS HE2 H 1 2.977 0.003 . 1 . . . . 15 LYS HE2 . 16705 1 128 . 1 1 15 15 LYS HE3 H 1 2.977 0.003 . 1 . . . . 15 LYS HE3 . 16705 1 129 . 1 1 15 15 LYS HG2 H 1 1.232 0.004 . 1 . . . . 15 LYS HG2 . 16705 1 130 . 1 1 15 15 LYS HG3 H 1 1.232 0.004 . 1 . . . . 15 LYS HG3 . 16705 1 131 . 1 1 15 15 LYS HZ1 H 1 7.570 0.002 . 1 . . . . 15 LYS HZ1 . 16705 1 132 . 1 1 15 15 LYS HZ2 H 1 7.570 0.002 . 1 . . . . 15 LYS HZ2 . 16705 1 133 . 1 1 15 15 LYS HZ3 H 1 7.570 0.002 . 1 . . . . 15 LYS HZ3 . 16705 1 134 . 1 1 15 15 LYS CA C 13 59.119 0.2 . 1 . . . . 15 LYS CA . 16705 1 135 . 1 1 15 15 LYS CB C 13 32.338 0.006 . 1 . . . . 15 LYS CB . 16705 1 136 . 1 1 15 15 LYS CD C 13 29.377 0.006 . 1 . . . . 15 LYS CD . 16705 1 137 . 1 1 15 15 LYS CE C 13 41.940 0.2 . 1 . . . . 15 LYS CE . 16705 1 138 . 1 1 15 15 LYS CG C 13 26.668 0.2 . 1 . . . . 15 LYS CG . 16705 1 139 . 1 1 15 15 LYS N N 15 121.899 0.2 . 1 . . . . 15 LYS N . 16705 1 140 . 1 1 16 16 ASP H H 1 8.290 0.003 . 1 . . . . 16 ASP H . 16705 1 141 . 1 1 16 16 ASP HA H 1 4.427 0.013 . 1 . . . . 16 ASP HA . 16705 1 142 . 1 1 16 16 ASP HB2 H 1 3.014 0.008 . 2 . . . . 16 ASP HB2 . 16705 1 143 . 1 1 16 16 ASP HB3 H 1 2.694 0.005 . 2 . . . . 16 ASP HB3 . 16705 1 144 . 1 1 16 16 ASP CB C 13 39.904 0.012 . 1 . . . . 16 ASP CB . 16705 1 145 . 1 1 16 16 ASP N N 15 116.223 0.2 . 1 . . . . 16 ASP N . 16705 1 146 . 1 1 17 17 GLY H H 1 8.215 0.003 . 1 . . . . 17 GLY H . 16705 1 147 . 1 1 17 17 GLY HA2 H 1 4.127 0.009 . 2 . . . . 17 GLY HA2 . 16705 1 148 . 1 1 17 17 GLY HA3 H 1 3.712 0.002 . 2 . . . . 17 GLY HA3 . 16705 1 149 . 1 1 17 17 GLY CA C 13 45.848 0.2 . 1 . . . . 17 GLY CA . 16705 1 150 . 1 1 17 17 GLY N N 15 108.696 0.2 . 1 . . . . 17 GLY N . 16705 1 151 . 1 1 18 18 LYS H H 1 7.881 0.003 . 1 . . . . 18 LYS H . 16705 1 152 . 1 1 18 18 LYS HA H 1 4.389 0.015 . 1 . . . . 18 LYS HA . 16705 1 153 . 1 1 18 18 LYS HB2 H 1 1.774 0.002 . 2 . . . . 18 LYS HB2 . 16705 1 154 . 1 1 18 18 LYS HB3 H 1 1.411 0.007 . 2 . . . . 18 LYS HB3 . 16705 1 155 . 1 1 18 18 LYS HD2 H 1 1.543 0.003 . 2 . . . . 18 LYS HD2 . 16705 1 156 . 1 1 18 18 LYS HD3 H 1 1.473 0.003 . 2 . . . . 18 LYS HD3 . 16705 1 157 . 1 1 18 18 LYS HE2 H 1 2.791 0.002 . 1 . . . . 18 LYS HE2 . 16705 1 158 . 1 1 18 18 LYS HE3 H 1 2.791 0.002 . 1 . . . . 18 LYS HE3 . 16705 1 159 . 1 1 18 18 LYS HG2 H 1 1.106 0.001 . 2 . . . . 18 LYS HG2 . 16705 1 160 . 1 1 18 18 LYS HG3 H 1 0.928 0.002 . 2 . . . . 18 LYS HG3 . 16705 1 161 . 1 1 18 18 LYS HZ1 H 1 7.429 0.002 . 1 . . . . 18 LYS HZ1 . 16705 1 162 . 1 1 18 18 LYS HZ2 H 1 7.429 0.002 . 1 . . . . 18 LYS HZ2 . 16705 1 163 . 1 1 18 18 LYS HZ3 H 1 7.429 0.002 . 1 . . . . 18 LYS HZ3 . 16705 1 164 . 1 1 18 18 LYS CB C 13 33.631 0.035 . 1 . . . . 18 LYS CB . 16705 1 165 . 1 1 18 18 LYS CD C 13 29.032 0.012 . 1 . . . . 18 LYS CD . 16705 1 166 . 1 1 18 18 LYS CE C 13 42.303 0.2 . 1 . . . . 18 LYS CE . 16705 1 167 . 1 1 18 18 LYS CG C 13 25.498 0.2 . 1 . . . . 18 LYS CG . 16705 1 168 . 1 1 18 18 LYS N N 15 121.746 0.2 . 1 . . . . 18 LYS N . 16705 1 169 . 1 1 19 19 THR H H 1 8.285 0.002 . 1 . . . . 19 THR H . 16705 1 170 . 1 1 19 19 THR HA H 1 4.888 0.026 . 1 . . . . 19 THR HA . 16705 1 171 . 1 1 19 19 THR HB H 1 3.995 0.005 . 1 . . . . 19 THR HB . 16705 1 172 . 1 1 19 19 THR HG21 H 1 1.137 0.002 . 1 . . . . 19 THR QG2 . 16705 1 173 . 1 1 19 19 THR HG22 H 1 1.137 0.002 . 1 . . . . 19 THR QG2 . 16705 1 174 . 1 1 19 19 THR HG23 H 1 1.137 0.002 . 1 . . . . 19 THR QG2 . 16705 1 175 . 1 1 19 19 THR CB C 13 69.623 0.2 . 1 . . . . 19 THR CB . 16705 1 176 . 1 1 19 19 THR CG2 C 13 23.693 0.2 . 1 . . . . 19 THR CG2 . 16705 1 177 . 1 1 19 19 THR N N 15 121.680 0.2 . 1 . . . . 19 THR N . 16705 1 178 . 1 1 20 20 TYR H H 1 9.317 0.002 . 1 . . . . 20 TYR H . 16705 1 179 . 1 1 20 20 TYR HA H 1 4.523 0.018 . 1 . . . . 20 TYR HA . 16705 1 180 . 1 1 20 20 TYR HB2 H 1 2.570 0.002 . 1 . . . . 20 TYR HB2 . 16705 1 181 . 1 1 20 20 TYR HB3 H 1 2.893 0.002 . 1 . . . . 20 TYR HB3 . 16705 1 182 . 1 1 20 20 TYR HD1 H 1 6.977 0.002 . 1 . . . . 20 TYR HD1 . 16705 1 183 . 1 1 20 20 TYR HD2 H 1 6.977 0.002 . 1 . . . . 20 TYR HD2 . 16705 1 184 . 1 1 20 20 TYR HE1 H 1 7.143 0.004 . 1 . . . . 20 TYR HE1 . 16705 1 185 . 1 1 20 20 TYR HE2 H 1 7.143 0.004 . 1 . . . . 20 TYR HE2 . 16705 1 186 . 1 1 20 20 TYR CB C 13 41.694 0.2 . 1 . . . . 20 TYR CB . 16705 1 187 . 1 1 20 20 TYR N N 15 127.846 0.2 . 1 . . . . 20 TYR N . 16705 1 188 . 1 1 21 21 SER H H 1 9.090 0.001 . 1 . . . . 21 SER H . 16705 1 189 . 1 1 21 21 SER HA H 1 3.839 0.005 . 1 . . . . 21 SER HA . 16705 1 190 . 1 1 21 21 SER HB2 H 1 4.064 0.006 . 2 . . . . 21 SER HB2 . 16705 1 191 . 1 1 21 21 SER HB3 H 1 3.911 0.004 . 2 . . . . 21 SER HB3 . 16705 1 192 . 1 1 21 21 SER CA C 13 62.009 0.2 . 1 . . . . 21 SER CA . 16705 1 193 . 1 1 21 21 SER CB C 13 63.542 0.012 . 1 . . . . 21 SER CB . 16705 1 194 . 1 1 21 21 SER N N 15 116.925 0.2 . 1 . . . . 21 SER N . 16705 1 195 . 1 1 22 22 ASN H H 1 7.367 0.003 . 1 . . . . 22 ASN H . 16705 1 196 . 1 1 22 22 ASN HA H 1 4.843 0.029 . 1 . . . . 22 ASN HA . 16705 1 197 . 1 1 22 22 ASN HB2 H 1 3.462 0.003 . 1 . . . . 22 ASN HB2 . 16705 1 198 . 1 1 22 22 ASN HB3 H 1 3.029 0.003 . 1 . . . . 22 ASN HB3 . 16705 1 199 . 1 1 22 22 ASN HD21 H 1 8.577 0.003 . 2 . . . . 22 ASN HD21 . 16705 1 200 . 1 1 22 22 ASN HD22 H 1 6.640 0.003 . 2 . . . . 22 ASN HD22 . 16705 1 201 . 1 1 22 22 ASN CB C 13 40.053 0.003 . 1 . . . . 22 ASN CB . 16705 1 202 . 1 1 22 22 ASN N N 15 105.645 0.2 . 1 . . . . 22 ASN N . 16705 1 203 . 1 1 22 22 ASN ND2 N 15 117.018 0.003 . 1 . . . . 22 ASN ND2 . 16705 1 204 . 1 1 23 23 LEU H H 1 8.799 0.002 . 1 . . . . 23 LEU H . 16705 1 205 . 1 1 23 23 LEU HA H 1 3.875 0.004 . 1 . . . . 23 LEU HA . 16705 1 206 . 1 1 23 23 LEU HB2 H 1 1.665 0.001 . 2 . . . . 23 LEU HB2 . 16705 1 207 . 1 1 23 23 LEU HB3 H 1 1.576 0.004 . 2 . . . . 23 LEU HB3 . 16705 1 208 . 1 1 23 23 LEU HD11 H 1 0.923 0.003 . 2 . . . . 23 LEU QD1 . 16705 1 209 . 1 1 23 23 LEU HD12 H 1 0.923 0.003 . 2 . . . . 23 LEU QD1 . 16705 1 210 . 1 1 23 23 LEU HD13 H 1 0.923 0.003 . 2 . . . . 23 LEU QD1 . 16705 1 211 . 1 1 23 23 LEU HD21 H 1 0.876 0.003 . 2 . . . . 23 LEU QD2 . 16705 1 212 . 1 1 23 23 LEU HD22 H 1 0.876 0.003 . 2 . . . . 23 LEU QD2 . 16705 1 213 . 1 1 23 23 LEU HD23 H 1 0.876 0.003 . 2 . . . . 23 LEU QD2 . 16705 1 214 . 1 1 23 23 LEU HG H 1 1.728 0.003 . 1 . . . . 23 LEU HG . 16705 1 215 . 1 1 23 23 LEU CA C 13 57.632 0.2 . 1 . . . . 23 LEU CA . 16705 1 216 . 1 1 23 23 LEU CB C 13 42.888 0.011 . 1 . . . . 23 LEU CB . 16705 1 217 . 1 1 23 23 LEU CD1 C 13 24.656 0.2 . 1 . . . . 23 LEU CD1 . 16705 1 218 . 1 1 23 23 LEU CD2 C 13 25.241 0.2 . 1 . . . . 23 LEU CD2 . 16705 1 219 . 1 1 23 23 LEU CG C 13 26.540 0.2 . 1 . . . . 23 LEU CG . 16705 1 220 . 1 1 23 23 LEU N N 15 118.783 0.2 . 1 . . . . 23 LEU N . 16705 1 221 . 1 1 24 24 CYS H H 1 8.175 0.004 . 1 . . . . 24 CYS H . 16705 1 222 . 1 1 24 24 CYS HA H 1 4.149 0.005 . 1 . . . . 24 CYS HA . 16705 1 223 . 1 1 24 24 CYS HB2 H 1 3.211 0.002 . 2 . . . . 24 CYS HB2 . 16705 1 224 . 1 1 24 24 CYS HB3 H 1 2.743 0.002 . 2 . . . . 24 CYS HB3 . 16705 1 225 . 1 1 24 24 CYS CB C 13 35.094 0.012 . 1 . . . . 24 CYS CB . 16705 1 226 . 1 1 24 24 CYS N N 15 119.522 0.2 . 1 . . . . 24 CYS N . 16705 1 227 . 1 1 25 25 TRP H H 1 7.594 0.002 . 1 . . . . 25 TRP H . 16705 1 228 . 1 1 25 25 TRP HA H 1 4.384 0.010 . 1 . . . . 25 TRP HA . 16705 1 229 . 1 1 25 25 TRP HB2 H 1 3.767 0.004 . 1 . . . . 25 TRP HB2 . 16705 1 230 . 1 1 25 25 TRP HB3 H 1 3.236 0.006 . 1 . . . . 25 TRP HB3 . 16705 1 231 . 1 1 25 25 TRP HD1 H 1 7.366 0.004 . 1 . . . . 25 TRP HD1 . 16705 1 232 . 1 1 25 25 TRP HE1 H 1 9.787 0.002 . 1 . . . . 25 TRP HE1 . 16705 1 233 . 1 1 25 25 TRP HH2 H 1 7.181 0.001 . 1 . . . . 25 TRP HH2 . 16705 1 234 . 1 1 25 25 TRP HZ2 H 1 7.273 0.2 . 1 . . . . 25 TRP HZ2 . 16705 1 235 . 1 1 25 25 TRP HZ3 H 1 7.866 0.002 . 1 . . . . 25 TRP HZ3 . 16705 1 236 . 1 1 25 25 TRP CA C 13 59.903 0.2 . 1 . . . . 25 TRP CA . 16705 1 237 . 1 1 25 25 TRP CB C 13 30.471 0.012 . 1 . . . . 25 TRP CB . 16705 1 238 . 1 1 25 25 TRP N N 15 120.436 0.2 . 1 . . . . 25 TRP N . 16705 1 239 . 1 1 25 25 TRP NE1 N 15 127.891 0.2 . 1 . . . . 25 TRP NE1 . 16705 1 240 . 1 1 26 26 LEU H H 1 7.315 0.002 . 1 . . . . 26 LEU H . 16705 1 241 . 1 1 26 26 LEU HA H 1 2.947 0.003 . 1 . . . . 26 LEU HA . 16705 1 242 . 1 1 26 26 LEU HB2 H 1 1.765 0.004 . 1 . . . . 26 LEU HB2 . 16705 1 243 . 1 1 26 26 LEU HB3 H 1 0.985 0.002 . 1 . . . . 26 LEU HB3 . 16705 1 244 . 1 1 26 26 LEU HD11 H 1 0.349 0.003 . 1 . . . . 26 LEU QD1 . 16705 1 245 . 1 1 26 26 LEU HD12 H 1 0.349 0.003 . 1 . . . . 26 LEU QD1 . 16705 1 246 . 1 1 26 26 LEU HD13 H 1 0.349 0.003 . 1 . . . . 26 LEU QD1 . 16705 1 247 . 1 1 26 26 LEU HD21 H 1 0.608 0.003 . 1 . . . . 26 LEU QD2 . 16705 1 248 . 1 1 26 26 LEU HD22 H 1 0.608 0.003 . 1 . . . . 26 LEU QD2 . 16705 1 249 . 1 1 26 26 LEU HD23 H 1 0.608 0.003 . 1 . . . . 26 LEU QD2 . 16705 1 250 . 1 1 26 26 LEU HG H 1 1.325 0.004 . 1 . . . . 26 LEU HG . 16705 1 251 . 1 1 26 26 LEU CA C 13 58.604 0.2 . 1 . . . . 26 LEU CA . 16705 1 252 . 1 1 26 26 LEU CB C 13 41.361 0.005 . 1 . . . . 26 LEU CB . 16705 1 253 . 1 1 26 26 LEU CD1 C 13 26.294 0.2 . 1 . . . . 26 LEU CD1 . 16705 1 254 . 1 1 26 26 LEU CD2 C 13 26.949 0.2 . 1 . . . . 26 LEU CD2 . 16705 1 255 . 1 1 26 26 LEU CG C 13 25.838 0.2 . 1 . . . . 26 LEU CG . 16705 1 256 . 1 1 26 26 LEU N N 15 122.316 0.2 . 1 . . . . 26 LEU N . 16705 1 257 . 1 1 27 27 ASN H H 1 8.448 0.001 . 1 . . . . 27 ASN H . 16705 1 258 . 1 1 27 27 ASN HA H 1 4.422 0.008 . 1 . . . . 27 ASN HA . 16705 1 259 . 1 1 27 27 ASN HB2 H 1 2.907 0.003 . 2 . . . . 27 ASN HB2 . 16705 1 260 . 1 1 27 27 ASN HB3 H 1 2.773 0.008 . 2 . . . . 27 ASN HB3 . 16705 1 261 . 1 1 27 27 ASN HD21 H 1 7.495 0.001 . 1 . . . . 27 ASN HD21 . 16705 1 262 . 1 1 27 27 ASN HD22 H 1 6.595 0.002 . 1 . . . . 27 ASN HD22 . 16705 1 263 . 1 1 27 27 ASN CB C 13 37.692 0.023 . 1 . . . . 27 ASN CB . 16705 1 264 . 1 1 27 27 ASN N N 15 117.671 0.2 . 1 . . . . 27 ASN N . 16705 1 265 . 1 1 27 27 ASN ND2 N 15 110.283 0.015 . 1 . . . . 27 ASN ND2 . 16705 1 266 . 1 1 28 28 GLU H H 1 8.378 0.002 . 1 . . . . 28 GLU H . 16705 1 267 . 1 1 28 28 GLU HA H 1 4.046 0.006 . 1 . . . . 28 GLU HA . 16705 1 268 . 1 1 28 28 GLU HB2 H 1 2.303 0.003 . 2 . . . . 28 GLU HB2 . 16705 1 269 . 1 1 28 28 GLU HB3 H 1 2.169 0.003 . 2 . . . . 28 GLU HB3 . 16705 1 270 . 1 1 28 28 GLU HG2 H 1 2.573 0.004 . 2 . . . . 28 GLU HG2 . 16705 1 271 . 1 1 28 28 GLU HG3 H 1 2.534 0.004 . 2 . . . . 28 GLU HG3 . 16705 1 272 . 1 1 28 28 GLU CA C 13 58.779 0.2 . 1 . . . . 28 GLU CA . 16705 1 273 . 1 1 28 28 GLU CB C 13 27.915 0.006 . 1 . . . . 28 GLU CB . 16705 1 274 . 1 1 28 28 GLU CG C 13 33.397 0.2 . 1 . . . . 28 GLU CG . 16705 1 275 . 1 1 28 28 GLU N N 15 120.846 0.2 . 1 . . . . 28 GLU N . 16705 1 276 . 1 1 29 29 ALA H H 1 7.547 0.003 . 1 . . . . 29 ALA H . 16705 1 277 . 1 1 29 29 ALA HA H 1 4.348 0.014 . 1 . . . . 29 ALA HA . 16705 1 278 . 1 1 29 29 ALA HB1 H 1 1.659 0.002 . 1 . . . . 29 ALA QB . 16705 1 279 . 1 1 29 29 ALA HB2 H 1 1.659 0.002 . 1 . . . . 29 ALA QB . 16705 1 280 . 1 1 29 29 ALA HB3 H 1 1.659 0.002 . 1 . . . . 29 ALA QB . 16705 1 281 . 1 1 29 29 ALA CA C 13 53.186 0.2 . 1 . . . . 29 ALA CA . 16705 1 282 . 1 1 29 29 ALA CB C 13 19.483 0.2 . 1 . . . . 29 ALA CB . 16705 1 283 . 1 1 29 29 ALA N N 15 120.385 0.2 . 1 . . . . 29 ALA N . 16705 1 284 . 1 1 30 30 GLY H H 1 7.797 0.001 . 1 . . . . 30 GLY H . 16705 1 285 . 1 1 30 30 GLY HA2 H 1 3.939 0.009 . 2 . . . . 30 GLY HA2 . 16705 1 286 . 1 1 30 30 GLY HA3 H 1 3.829 0.001 . 2 . . . . 30 GLY HA3 . 16705 1 287 . 1 1 30 30 GLY CA C 13 46.165 0.011 . 1 . . . . 30 GLY CA . 16705 1 288 . 1 1 30 30 GLY N N 15 105.931 0.2 . 1 . . . . 30 GLY N . 16705 1 289 . 1 1 31 31 VAL H H 1 6.628 0.002 . 1 . . . . 31 VAL H . 16705 1 290 . 1 1 31 31 VAL HA H 1 4.089 0.007 . 1 . . . . 31 VAL HA . 16705 1 291 . 1 1 31 31 VAL HB H 1 1.738 0.003 . 1 . . . . 31 VAL HB . 16705 1 292 . 1 1 31 31 VAL HG11 H 1 0.903 0.002 . 1 . . . . 31 VAL QG1 . 16705 1 293 . 1 1 31 31 VAL HG12 H 1 0.903 0.002 . 1 . . . . 31 VAL QG1 . 16705 1 294 . 1 1 31 31 VAL HG13 H 1 0.903 0.002 . 1 . . . . 31 VAL QG1 . 16705 1 295 . 1 1 31 31 VAL HG21 H 1 1.085 0.002 . 1 . . . . 31 VAL QG2 . 16705 1 296 . 1 1 31 31 VAL HG22 H 1 1.085 0.002 . 1 . . . . 31 VAL QG2 . 16705 1 297 . 1 1 31 31 VAL HG23 H 1 1.085 0.002 . 1 . . . . 31 VAL QG2 . 16705 1 298 . 1 1 31 31 VAL CA C 13 62.805 0.2 . 1 . . . . 31 VAL CA . 16705 1 299 . 1 1 31 31 VAL CB C 13 34.088 0.2 . 1 . . . . 31 VAL CB . 16705 1 300 . 1 1 31 31 VAL CG1 C 13 20.197 0.2 . 1 . . . . 31 VAL CG1 . 16705 1 301 . 1 1 31 31 VAL CG2 C 13 21.098 0.2 . 1 . . . . 31 VAL CG2 . 16705 1 302 . 1 1 31 31 VAL N N 15 116.259 0.2 . 1 . . . . 31 VAL N . 16705 1 303 . 1 1 32 32 GLY H H 1 8.548 0.2 . 1 . . . . 32 GLY H . 16705 1 304 . 1 1 32 32 GLY HA2 H 1 3.914 0.007 . 1 . . . . 32 GLY HA2 . 16705 1 305 . 1 1 32 32 GLY HA3 H 1 3.674 0.004 . 1 . . . . 32 GLY HA3 . 16705 1 306 . 1 1 32 32 GLY CA C 13 44.596 0.012 . 1 . . . . 32 GLY CA . 16705 1 307 . 1 1 32 32 GLY N N 15 110.195 0.2 . 1 . . . . 32 GLY N . 16705 1 308 . 1 1 33 33 LEU H H 1 8.635 0.002 . 1 . . . . 33 LEU H . 16705 1 309 . 1 1 33 33 LEU HA H 1 3.953 0.005 . 1 . . . . 33 LEU HA . 16705 1 310 . 1 1 33 33 LEU HB2 H 1 1.799 0.002 . 2 . . . . 33 LEU HB2 . 16705 1 311 . 1 1 33 33 LEU HB3 H 1 1.222 0.002 . 2 . . . . 33 LEU HB3 . 16705 1 312 . 1 1 33 33 LEU HD11 H 1 0.602 0.002 . 1 . . . . 33 LEU QD1 . 16705 1 313 . 1 1 33 33 LEU HD12 H 1 0.602 0.002 . 1 . . . . 33 LEU QD1 . 16705 1 314 . 1 1 33 33 LEU HD13 H 1 0.602 0.002 . 1 . . . . 33 LEU QD1 . 16705 1 315 . 1 1 33 33 LEU HD21 H 1 0.786 0.003 . 1 . . . . 33 LEU QD2 . 16705 1 316 . 1 1 33 33 LEU HD22 H 1 0.786 0.003 . 1 . . . . 33 LEU QD2 . 16705 1 317 . 1 1 33 33 LEU HD23 H 1 0.786 0.003 . 1 . . . . 33 LEU QD2 . 16705 1 318 . 1 1 33 33 LEU HG H 1 1.042 0.002 . 1 . . . . 33 LEU HG . 16705 1 319 . 1 1 33 33 LEU CA C 13 55.901 0.2 . 1 . . . . 33 LEU CA . 16705 1 320 . 1 1 33 33 LEU CB C 13 43.028 0.012 . 1 . . . . 33 LEU CB . 16705 1 321 . 1 1 33 33 LEU CD1 C 13 24.574 0.2 . 1 . . . . 33 LEU CD1 . 16705 1 322 . 1 1 33 33 LEU CD2 C 13 26.025 0.2 . 1 . . . . 33 LEU CD2 . 16705 1 323 . 1 1 33 33 LEU CG C 13 27.090 0.2 . 1 . . . . 33 LEU CG . 16705 1 324 . 1 1 33 33 LEU N N 15 124.225 0.2 . 1 . . . . 33 LEU N . 16705 1 325 . 1 1 34 34 ASP H H 1 9.101 0.003 . 1 . . . . 34 ASP H . 16705 1 326 . 1 1 34 34 ASP HA H 1 4.840 0.034 . 1 . . . . 34 ASP HA . 16705 1 327 . 1 1 34 34 ASP HB2 H 1 2.441 0.003 . 1 . . . . 34 ASP HB2 . 16705 1 328 . 1 1 34 34 ASP HB3 H 1 2.062 0.001 . 1 . . . . 34 ASP HB3 . 16705 1 329 . 1 1 34 34 ASP CB C 13 41.361 0.005 . 1 . . . . 34 ASP CB . 16705 1 330 . 1 1 34 34 ASP N N 15 126.149 0.2 . 1 . . . . 34 ASP N . 16705 1 331 . 1 1 35 35 HIS H H 1 7.362 0.002 . 1 . . . . 35 HIS H . 16705 1 332 . 1 1 35 35 HIS HA H 1 4.860 0.031 . 1 . . . . 35 HIS HA . 16705 1 333 . 1 1 35 35 HIS HB2 H 1 3.503 0.003 . 2 . . . . 35 HIS HB2 . 16705 1 334 . 1 1 35 35 HIS HB3 H 1 3.272 0.001 . 2 . . . . 35 HIS HB3 . 16705 1 335 . 1 1 35 35 HIS HD2 H 1 8.466 0.002 . 1 . . . . 35 HIS HD2 . 16705 1 336 . 1 1 35 35 HIS HE1 H 1 7.196 0.004 . 1 . . . . 35 HIS HE1 . 16705 1 337 . 1 1 35 35 HIS CB C 13 30.232 0.006 . 1 . . . . 35 HIS CB . 16705 1 338 . 1 1 35 35 HIS N N 15 106.201 0.2 . 1 . . . . 35 HIS N . 16705 1 339 . 1 1 36 36 GLU H H 1 9.310 0.002 . 1 . . . . 36 GLU H . 16705 1 340 . 1 1 36 36 GLU HA H 1 4.234 0.008 . 1 . . . . 36 GLU HA . 16705 1 341 . 1 1 36 36 GLU HB2 H 1 2.312 0.003 . 2 . . . . 36 GLU HB2 . 16705 1 342 . 1 1 36 36 GLU HB3 H 1 2.111 0.004 . 2 . . . . 36 GLU HB3 . 16705 1 343 . 1 1 36 36 GLU HG2 H 1 2.622 0.002 . 2 . . . . 36 GLU HG2 . 16705 1 344 . 1 1 36 36 GLU HG3 H 1 2.483 0.004 . 2 . . . . 36 GLU HG3 . 16705 1 345 . 1 1 36 36 GLU CA C 13 57.422 0.2 . 1 . . . . 36 GLU CA . 16705 1 346 . 1 1 36 36 GLU CB C 13 28.810 0.012 . 1 . . . . 36 GLU CB . 16705 1 347 . 1 1 36 36 GLU CG C 13 33.269 0.011 . 1 . . . . 36 GLU CG . 16705 1 348 . 1 1 36 36 GLU N N 15 120.480 0.2 . 1 . . . . 36 GLU N . 16705 1 349 . 1 1 37 37 GLY H H 1 8.175 0.002 . 1 . . . . 37 GLY H . 16705 1 350 . 1 1 37 37 GLY HA2 H 1 4.504 0.023 . 2 . . . . 37 GLY HA2 . 16705 1 351 . 1 1 37 37 GLY HA3 H 1 3.503 0.004 . 2 . . . . 37 GLY HA3 . 16705 1 352 . 1 1 37 37 GLY CA C 13 44.561 0.2 . 1 . . . . 37 GLY CA . 16705 1 353 . 1 1 37 37 GLY N N 15 115.206 0.2 . 1 . . . . 37 GLY N . 16705 1 354 . 1 1 38 38 GLU H H 1 8.090 0.003 . 1 . . . . 38 GLU H . 16705 1 355 . 1 1 38 38 GLU HA H 1 3.890 0.005 . 1 . . . . 38 GLU HA . 16705 1 356 . 1 1 38 38 GLU HB2 H 1 2.060 0.006 . 2 . . . . 38 GLU HB2 . 16705 1 357 . 1 1 38 38 GLU HB3 H 1 1.907 0.002 . 2 . . . . 38 GLU HB3 . 16705 1 358 . 1 1 38 38 GLU HG2 H 1 2.399 0.003 . 1 . . . . 38 GLU HG2 . 16705 1 359 . 1 1 38 38 GLU HG3 H 1 2.399 0.003 . 1 . . . . 38 GLU HG3 . 16705 1 360 . 1 1 38 38 GLU CA C 13 55.947 0.2 . 1 . . . . 38 GLU CA . 16705 1 361 . 1 1 38 38 GLU CB C 13 29.313 0.2 . 1 . . . . 38 GLU CB . 16705 1 362 . 1 1 38 38 GLU CG C 13 33.865 0.2 . 1 . . . . 38 GLU CG . 16705 1 363 . 1 1 38 38 GLU N N 15 111.892 0.2 . 1 . . . . 38 GLU N . 16705 1 364 . 1 1 39 39 CYS H H 1 8.266 0.002 . 1 . . . . 39 CYS H . 16705 1 365 . 1 1 39 39 CYS HA H 1 4.430 0.009 . 1 . . . . 39 CYS HA . 16705 1 366 . 1 1 39 39 CYS HB2 H 1 2.978 0.002 . 2 . . . . 39 CYS HB2 . 16705 1 367 . 1 1 39 39 CYS HB3 H 1 2.489 0.002 . 2 . . . . 39 CYS HB3 . 16705 1 368 . 1 1 39 39 CYS CB C 13 37.341 0.012 . 1 . . . . 39 CYS CB . 16705 1 369 . 1 1 39 39 CYS N N 15 118.395 0.2 . 1 . . . . 39 CYS N . 16705 1 stop_ save_