################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 "C' shifts from the HNCO otherwise shifts were extracted from the HSQC spectra" _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-15N HSQC' . . . 34293 1 2 '2D 1H-13C HSQC aliphatic' . . . 34293 1 3 '2D 1H-13C HSQC aromatic' . . . 34293 1 4 '3D HNCO' . . . 34293 1 5 '3D HNCACB' . . . 34293 1 6 '3D HN(CO)CA' . . . 34293 1 7 '3D CBCA(CO)NH' . . . 34293 1 8 '3D HBHA(CO)NH' . . . 34293 1 9 '3D HCCH-TOCSY' . . . 34293 1 10 '3D HCCH-TOCSY' . . . 34293 1 11 '3D 1H-15N NOESY' . . . 34293 1 12 '3D 1H-13C NOESY aliphatic' . . . 34293 1 13 '3D 1H-13C NOESY aromatic' . . . 34293 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 3.796 0.020 . 1 . . . . A 1 ASN HA . 34293 1 2 . 1 1 1 1 ASN HB2 H 1 2.547 0.020 . 2 . . . . A 1 ASN HB2 . 34293 1 3 . 1 1 1 1 ASN HB3 H 1 2.666 0.020 . 2 . . . . A 1 ASN HB3 . 34293 1 4 . 1 1 1 1 ASN HD21 H 1 7.577 0.020 . 1 . . . . A 1 ASN HD21 . 34293 1 5 . 1 1 1 1 ASN HD22 H 1 6.855 0.020 . 1 . . . . A 1 ASN HD22 . 34293 1 6 . 1 1 1 1 ASN CA C 13 54.307 0.3 . 1 . . . . A 1 ASN CA . 34293 1 7 . 1 1 1 1 ASN CB C 13 41.981 0.3 . 1 . . . . A 1 ASN CB . 34293 1 8 . 1 1 1 1 ASN ND2 N 15 113.260 0.3 . 1 . . . . A 1 ASN ND2 . 34293 1 9 . 1 1 2 2 GLU HA H 1 4.272 0.020 . 1 . . . . A 2 GLU HA . 34293 1 10 . 1 1 2 2 GLU HB2 H 1 1.897 0.020 . 2 . . . . A 2 GLU HB2 . 34293 1 11 . 1 1 2 2 GLU HB3 H 1 1.999 0.020 . 2 . . . . A 2 GLU HB3 . 34293 1 12 . 1 1 2 2 GLU HG2 H 1 2.227 0.020 . 1 . . . . A 2 GLU HG2 . 34293 1 13 . 1 1 2 2 GLU HG3 H 1 2.227 0.020 . 1 . . . . A 2 GLU HG3 . 34293 1 14 . 1 1 2 2 GLU C C 13 175.902 0.3 . 1 . . . . A 2 GLU C . 34293 1 15 . 1 1 2 2 GLU CA C 13 56.306 0.3 . 1 . . . . A 2 GLU CA . 34293 1 16 . 1 1 2 2 GLU CB C 13 30.510 0.3 . 1 . . . . A 2 GLU CB . 34293 1 17 . 1 1 2 2 GLU CG C 13 36.231 0.3 . 1 . . . . A 2 GLU CG . 34293 1 18 . 1 1 3 3 LEU H H 1 8.424 0.020 . 1 . . . . A 3 LEU H . 34293 1 19 . 1 1 3 3 LEU HA H 1 4.361 0.020 . 1 . . . . A 3 LEU HA . 34293 1 20 . 1 1 3 3 LEU HB2 H 1 1.426 0.020 . 2 . . . . A 3 LEU HB2 . 34293 1 21 . 1 1 3 3 LEU HB3 H 1 1.542 0.020 . 2 . . . . A 3 LEU HB3 . 34293 1 22 . 1 1 3 3 LEU HG H 1 1.485 0.020 . 1 . . . . A 3 LEU HG . 34293 1 23 . 1 1 3 3 LEU HD11 H 1 0.762 0.020 . 2 . . . . A 3 LEU HD11 . 34293 1 24 . 1 1 3 3 LEU HD12 H 1 0.762 0.020 . 2 . . . . A 3 LEU HD12 . 34293 1 25 . 1 1 3 3 LEU HD13 H 1 0.762 0.020 . 2 . . . . A 3 LEU HD13 . 34293 1 26 . 1 1 3 3 LEU HD21 H 1 0.807 0.020 . 2 . . . . A 3 LEU HD21 . 34293 1 27 . 1 1 3 3 LEU HD22 H 1 0.807 0.020 . 2 . . . . A 3 LEU HD22 . 34293 1 28 . 1 1 3 3 LEU HD23 H 1 0.807 0.020 . 2 . . . . A 3 LEU HD23 . 34293 1 29 . 1 1 3 3 LEU C C 13 175.754 0.3 . 1 . . . . A 3 LEU C . 34293 1 30 . 1 1 3 3 LEU CA C 13 54.727 0.3 . 1 . . . . A 3 LEU CA . 34293 1 31 . 1 1 3 3 LEU CB C 13 42.745 0.3 . 1 . . . . A 3 LEU CB . 34293 1 32 . 1 1 3 3 LEU CG C 13 26.902 0.3 . 1 . . . . A 3 LEU CG . 34293 1 33 . 1 1 3 3 LEU CD1 C 13 23.748 0.3 . 1 . . . . A 3 LEU CD1 . 34293 1 34 . 1 1 3 3 LEU CD2 C 13 24.783 0.3 . 1 . . . . A 3 LEU CD2 . 34293 1 35 . 1 1 3 3 LEU N N 15 123.999 0.3 . 1 . . . . A 3 LEU N . 34293 1 36 . 1 1 4 4 ARG H H 1 8.196 0.020 . 1 . . . . A 4 ARG H . 34293 1 37 . 1 1 4 4 ARG HA H 1 4.434 0.020 . 1 . . . . A 4 ARG HA . 34293 1 38 . 1 1 4 4 ARG HB2 H 1 1.675 0.020 . 2 . . . . A 4 ARG HB2 . 34293 1 39 . 1 1 4 4 ARG HB3 H 1 1.791 0.020 . 2 . . . . A 4 ARG HB3 . 34293 1 40 . 1 1 4 4 ARG HG2 H 1 1.511 0.020 . 2 . . . . A 4 ARG HG2 . 34293 1 41 . 1 1 4 4 ARG HG3 H 1 1.634 0.020 . 2 . . . . A 4 ARG HG3 . 34293 1 42 . 1 1 4 4 ARG HD2 H 1 3.160 0.020 . 1 . . . . A 4 ARG HD2 . 34293 1 43 . 1 1 4 4 ARG HD3 H 1 3.160 0.020 . 1 . . . . A 4 ARG HD3 . 34293 1 44 . 1 1 4 4 ARG C C 13 174.065 0.3 . 1 . . . . A 4 ARG C . 34293 1 45 . 1 1 4 4 ARG CA C 13 54.479 0.3 . 1 . . . . A 4 ARG CA . 34293 1 46 . 1 1 4 4 ARG CB C 13 32.069 0.3 . 1 . . . . A 4 ARG CB . 34293 1 47 . 1 1 4 4 ARG CG C 13 26.501 0.3 . 1 . . . . A 4 ARG CG . 34293 1 48 . 1 1 4 4 ARG CD C 13 43.289 0.3 . 1 . . . . A 4 ARG CD . 34293 1 49 . 1 1 4 4 ARG N N 15 122.374 0.3 . 1 . . . . A 4 ARG N . 34293 1 50 . 1 1 5 5 CYS H H 1 8.784 0.020 . 1 . . . . A 5 CYS H . 34293 1 51 . 1 1 5 5 CYS HA H 1 3.844 0.020 . 1 . . . . A 5 CYS HA . 34293 1 52 . 1 1 5 5 CYS HB2 H 1 2.970 0.020 . 1 . . . . A 5 CYS HB2 . 34293 1 53 . 1 1 5 5 CYS HB3 H 1 2.970 0.020 . 1 . . . . A 5 CYS HB3 . 34293 1 54 . 1 1 5 5 CYS C C 13 175.804 0.3 . 1 . . . . A 5 CYS C . 34293 1 55 . 1 1 5 5 CYS CA C 13 60.555 0.3 . 1 . . . . A 5 CYS CA . 34293 1 56 . 1 1 5 5 CYS CB C 13 29.260 0.3 . 1 . . . . A 5 CYS CB . 34293 1 57 . 1 1 5 5 CYS N N 15 124.455 0.3 . 1 . . . . A 5 CYS N . 34293 1 58 . 1 1 6 6 GLY H H 1 8.631 0.020 . 1 . . . . A 6 GLY H . 34293 1 59 . 1 1 6 6 GLY HA2 H 1 3.036 0.020 . 2 . . . . A 6 GLY HA2 . 34293 1 60 . 1 1 6 6 GLY HA3 H 1 3.886 0.020 . 2 . . . . A 6 GLY HA3 . 34293 1 61 . 1 1 6 6 GLY C C 13 173.728 0.3 . 1 . . . . A 6 GLY C . 34293 1 62 . 1 1 6 6 GLY CA C 13 46.363 0.3 . 1 . . . . A 6 GLY CA . 34293 1 63 . 1 1 6 6 GLY N N 15 115.425 0.3 . 1 . . . . A 6 GLY N . 34293 1 64 . 1 1 7 7 CYS H H 1 8.873 0.020 . 1 . . . . A 7 CYS H . 34293 1 65 . 1 1 7 7 CYS HA H 1 4.946 0.020 . 1 . . . . A 7 CYS HA . 34293 1 66 . 1 1 7 7 CYS HB2 H 1 3.035 0.020 . 2 . . . . A 7 CYS HB2 . 34293 1 67 . 1 1 7 7 CYS HB3 H 1 3.899 0.020 . 2 . . . . A 7 CYS HB3 . 34293 1 68 . 1 1 7 7 CYS CA C 13 57.163 0.3 . 1 . . . . A 7 CYS CA . 34293 1 69 . 1 1 7 7 CYS CB C 13 29.814 0.3 . 1 . . . . A 7 CYS CB . 34293 1 70 . 1 1 7 7 CYS N N 15 130.065 0.3 . 1 . . . . A 7 CYS N . 34293 1 71 . 1 1 8 8 PRO HA H 1 4.192 0.020 . 1 . . . . A 8 PRO HA . 34293 1 72 . 1 1 8 8 PRO HB2 H 1 1.928 0.020 . 2 . . . . A 8 PRO HB2 . 34293 1 73 . 1 1 8 8 PRO HB3 H 1 2.293 0.020 . 2 . . . . A 8 PRO HB3 . 34293 1 74 . 1 1 8 8 PRO HG2 H 1 2.051 0.020 . 2 . . . . A 8 PRO HG2 . 34293 1 75 . 1 1 8 8 PRO HG3 H 1 2.209 0.020 . 2 . . . . A 8 PRO HG3 . 34293 1 76 . 1 1 8 8 PRO HD2 H 1 4.023 0.020 . 2 . . . . A 8 PRO HD2 . 34293 1 77 . 1 1 8 8 PRO HD3 H 1 4.232 0.020 . 2 . . . . A 8 PRO HD3 . 34293 1 78 . 1 1 8 8 PRO C C 13 176.926 0.3 . 1 . . . . A 8 PRO C . 34293 1 79 . 1 1 8 8 PRO CA C 13 65.045 0.3 . 1 . . . . A 8 PRO CA . 34293 1 80 . 1 1 8 8 PRO CB C 13 32.073 0.3 . 1 . . . . A 8 PRO CB . 34293 1 81 . 1 1 8 8 PRO CG C 13 27.596 0.3 . 1 . . . . A 8 PRO CG . 34293 1 82 . 1 1 8 8 PRO CD C 13 51.460 0.3 . 1 . . . . A 8 PRO CD . 34293 1 83 . 1 1 9 9 ASP H H 1 8.479 0.020 . 1 . . . . A 9 ASP H . 34293 1 84 . 1 1 9 9 ASP HA H 1 4.381 0.020 . 1 . . . . A 9 ASP HA . 34293 1 85 . 1 1 9 9 ASP HB2 H 1 2.655 0.020 . 2 . . . . A 9 ASP HB2 . 34293 1 86 . 1 1 9 9 ASP HB3 H 1 2.878 0.020 . 2 . . . . A 9 ASP HB3 . 34293 1 87 . 1 1 9 9 ASP C C 13 174.791 0.3 . 1 . . . . A 9 ASP C . 34293 1 88 . 1 1 9 9 ASP CA C 13 54.921 0.3 . 1 . . . . A 9 ASP CA . 34293 1 89 . 1 1 9 9 ASP CB C 13 40.410 0.3 . 1 . . . . A 9 ASP CB . 34293 1 90 . 1 1 9 9 ASP N N 15 115.408 0.3 . 1 . . . . A 9 ASP N . 34293 1 91 . 1 1 10 10 CYS H H 1 8.301 0.020 . 1 . . . . A 10 CYS H . 34293 1 92 . 1 1 10 10 CYS HA H 1 4.539 0.020 . 1 . . . . A 10 CYS HA . 34293 1 93 . 1 1 10 10 CYS HB2 H 1 2.935 0.020 . 2 . . . . A 10 CYS HB2 . 34293 1 94 . 1 1 10 10 CYS HB3 H 1 3.295 0.020 . 2 . . . . A 10 CYS HB3 . 34293 1 95 . 1 1 10 10 CYS CA C 13 57.840 0.3 . 1 . . . . A 10 CYS CA . 34293 1 96 . 1 1 10 10 CYS CB C 13 32.297 0.3 . 1 . . . . A 10 CYS CB . 34293 1 97 . 1 1 10 10 CYS N N 15 120.406 0.3 . 1 . . . . A 10 CYS N . 34293 1 98 . 1 1 11 11 HIS H H 1 8.815 0.020 . 1 . . . . A 11 HIS H . 34293 1 99 . 1 1 11 11 HIS HA H 1 4.895 0.020 . 1 . . . . A 11 HIS HA . 34293 1 100 . 1 1 11 11 HIS HB2 H 1 3.038 0.020 . 2 . . . . A 11 HIS HB2 . 34293 1 101 . 1 1 11 11 HIS HB3 H 1 3.297 0.020 . 2 . . . . A 11 HIS HB3 . 34293 1 102 . 1 1 11 11 HIS HD2 H 1 6.960 0.020 . 1 . . . . A 11 HIS HD2 . 34293 1 103 . 1 1 11 11 HIS HE1 H 1 7.582 0.020 . 1 . . . . A 11 HIS HE1 . 34293 1 104 . 1 1 11 11 HIS C C 13 174.764 0.3 . 1 . . . . A 11 HIS C . 34293 1 105 . 1 1 11 11 HIS CA C 13 55.418 0.3 . 1 . . . . A 11 HIS CA . 34293 1 106 . 1 1 11 11 HIS CB C 13 31.043 0.3 . 1 . . . . A 11 HIS CB . 34293 1 107 . 1 1 11 11 HIS CD2 C 13 119.418 0.3 . 1 . . . . A 11 HIS CD2 . 34293 1 108 . 1 1 11 11 HIS CE1 C 13 138.259 0.3 . 1 . . . . A 11 HIS CE1 . 34293 1 109 . 1 1 11 11 HIS N N 15 131.603 0.3 . 1 . . . . A 11 HIS N . 34293 1 110 . 1 1 11 11 HIS ND1 N 15 222.056 0.3 . 1 . . . . A 11 HIS ND1 . 34293 1 111 . 1 1 11 11 HIS NE2 N 15 178.223 0.3 . 1 . . . . A 11 HIS NE2 . 34293 1 112 . 1 1 12 12 CYS H H 1 8.428 0.020 . 1 . . . . A 12 CYS H . 34293 1 113 . 1 1 12 12 CYS HA H 1 4.205 0.020 . 1 . . . . A 12 CYS HA . 34293 1 114 . 1 1 12 12 CYS HB2 H 1 2.854 0.020 . 2 . . . . A 12 CYS HB2 . 34293 1 115 . 1 1 12 12 CYS HB3 H 1 3.473 0.020 . 2 . . . . A 12 CYS HB3 . 34293 1 116 . 1 1 12 12 CYS C C 13 174.504 0.3 . 1 . . . . A 12 CYS C . 34293 1 117 . 1 1 12 12 CYS CA C 13 60.343 0.3 . 1 . . . . A 12 CYS CA . 34293 1 118 . 1 1 12 12 CYS CB C 13 29.683 0.3 . 1 . . . . A 12 CYS CB . 34293 1 119 . 1 1 12 12 CYS N N 15 126.099 0.3 . 1 . . . . A 12 CYS N . 34293 1 120 . 1 1 13 13 LYS H H 1 8.615 0.020 . 1 . . . . A 13 LYS H . 34293 1 121 . 1 1 13 13 LYS HA H 1 4.284 0.020 . 1 . . . . A 13 LYS HA . 34293 1 122 . 1 1 13 13 LYS HB2 H 1 1.762 0.020 . 2 . . . . A 13 LYS HB2 . 34293 1 123 . 1 1 13 13 LYS HB3 H 1 1.806 0.020 . 2 . . . . A 13 LYS HB3 . 34293 1 124 . 1 1 13 13 LYS HG2 H 1 1.420 0.020 . 2 . . . . A 13 LYS HG2 . 34293 1 125 . 1 1 13 13 LYS HG3 H 1 1.509 0.020 . 2 . . . . A 13 LYS HG3 . 34293 1 126 . 1 1 13 13 LYS HD2 H 1 1.684 0.020 . 1 . . . . A 13 LYS HD2 . 34293 1 127 . 1 1 13 13 LYS HD3 H 1 1.684 0.020 . 1 . . . . A 13 LYS HD3 . 34293 1 128 . 1 1 13 13 LYS HE2 H 1 3.015 0.020 . 1 . . . . A 13 LYS HE2 . 34293 1 129 . 1 1 13 13 LYS HE3 H 1 3.015 0.020 . 1 . . . . A 13 LYS HE3 . 34293 1 130 . 1 1 13 13 LYS C C 13 176.186 0.3 . 1 . . . . A 13 LYS C . 34293 1 131 . 1 1 13 13 LYS CA C 13 56.668 0.3 . 1 . . . . A 13 LYS CA . 34293 1 132 . 1 1 13 13 LYS CB C 13 32.593 0.3 . 1 . . . . A 13 LYS CB . 34293 1 133 . 1 1 13 13 LYS CG C 13 24.852 0.3 . 1 . . . . A 13 LYS CG . 34293 1 134 . 1 1 13 13 LYS CD C 13 28.930 0.3 . 1 . . . . A 13 LYS CD . 34293 1 135 . 1 1 13 13 LYS CE C 13 42.200 0.3 . 1 . . . . A 13 LYS CE . 34293 1 136 . 1 1 13 13 LYS N N 15 129.770 0.3 . 1 . . . . A 13 LYS N . 34293 1 137 . 1 1 14 14 VAL H H 1 8.421 0.020 . 1 . . . . A 14 VAL H . 34293 1 138 . 1 1 14 14 VAL HA H 1 3.875 0.020 . 1 . . . . A 14 VAL HA . 34293 1 139 . 1 1 14 14 VAL HB H 1 1.730 0.020 . 1 . . . . A 14 VAL HB . 34293 1 140 . 1 1 14 14 VAL HG11 H 1 0.562 0.020 . 2 . . . . A 14 VAL HG11 . 34293 1 141 . 1 1 14 14 VAL HG12 H 1 0.562 0.020 . 2 . . . . A 14 VAL HG12 . 34293 1 142 . 1 1 14 14 VAL HG13 H 1 0.562 0.020 . 2 . . . . A 14 VAL HG13 . 34293 1 143 . 1 1 14 14 VAL HG21 H 1 0.700 0.020 . 2 . . . . A 14 VAL HG21 . 34293 1 144 . 1 1 14 14 VAL HG22 H 1 0.700 0.020 . 2 . . . . A 14 VAL HG22 . 34293 1 145 . 1 1 14 14 VAL HG23 H 1 0.700 0.020 . 2 . . . . A 14 VAL HG23 . 34293 1 146 . 1 1 14 14 VAL C C 13 174.864 0.3 . 1 . . . . A 14 VAL C . 34293 1 147 . 1 1 14 14 VAL CA C 13 61.748 0.3 . 1 . . . . A 14 VAL CA . 34293 1 148 . 1 1 14 14 VAL CB C 13 32.253 0.3 . 1 . . . . A 14 VAL CB . 34293 1 149 . 1 1 14 14 VAL CG1 C 13 20.586 0.3 . 1 . . . . A 14 VAL CG1 . 34293 1 150 . 1 1 14 14 VAL CG2 C 13 22.182 0.3 . 1 . . . . A 14 VAL CG2 . 34293 1 151 . 1 1 14 14 VAL N N 15 123.913 0.3 . 1 . . . . A 14 VAL N . 34293 1 152 . 1 1 15 15 ASP H H 1 8.665 0.020 . 1 . . . . A 15 ASP H . 34293 1 153 . 1 1 15 15 ASP HA H 1 4.796 0.020 . 1 . . . . A 15 ASP HA . 34293 1 154 . 1 1 15 15 ASP HB2 H 1 2.606 0.020 . 2 . . . . A 15 ASP HB2 . 34293 1 155 . 1 1 15 15 ASP HB3 H 1 2.837 0.020 . 2 . . . . A 15 ASP HB3 . 34293 1 156 . 1 1 15 15 ASP C C 13 173.443 0.3 . 1 . . . . A 15 ASP C . 34293 1 157 . 1 1 15 15 ASP CA C 13 51.108 0.3 . 1 . . . . A 15 ASP CA . 34293 1 158 . 1 1 15 15 ASP CB C 13 42.067 0.3 . 1 . . . . A 15 ASP CB . 34293 1 159 . 1 1 15 15 ASP N N 15 129.999 0.3 . 1 . . . . A 15 ASP N . 34293 1 160 . 1 1 16 16 PRO HA H 1 4.057 0.020 . 1 . . . . A 16 PRO HA . 34293 1 161 . 1 1 16 16 PRO HB2 H 1 1.960 0.020 . 2 . . . . A 16 PRO HB2 . 34293 1 162 . 1 1 16 16 PRO HB3 H 1 2.279 0.020 . 2 . . . . A 16 PRO HB3 . 34293 1 163 . 1 1 16 16 PRO HG2 H 1 2.071 0.020 . 1 . . . . A 16 PRO HG2 . 34293 1 164 . 1 1 16 16 PRO HG3 H 1 2.071 0.020 . 1 . . . . A 16 PRO HG3 . 34293 1 165 . 1 1 16 16 PRO HD2 H 1 3.973 0.020 . 1 . . . . A 16 PRO HD2 . 34293 1 166 . 1 1 16 16 PRO HD3 H 1 3.973 0.020 . 1 . . . . A 16 PRO HD3 . 34293 1 167 . 1 1 16 16 PRO C C 13 177.889 0.3 . 1 . . . . A 16 PRO C . 34293 1 168 . 1 1 16 16 PRO CA C 13 64.568 0.3 . 1 . . . . A 16 PRO CA . 34293 1 169 . 1 1 16 16 PRO CB C 13 32.200 0.3 . 1 . . . . A 16 PRO CB . 34293 1 170 . 1 1 16 16 PRO CG C 13 27.427 0.3 . 1 . . . . A 16 PRO CG . 34293 1 171 . 1 1 16 16 PRO CD C 13 50.808 0.3 . 1 . . . . A 16 PRO CD . 34293 1 172 . 1 1 17 17 GLU H H 1 8.473 0.020 . 1 . . . . A 17 GLU H . 34293 1 173 . 1 1 17 17 GLU HA H 1 4.240 0.020 . 1 . . . . A 17 GLU HA . 34293 1 174 . 1 1 17 17 GLU HB2 H 1 1.905 0.020 . 2 . . . . A 17 GLU HB2 . 34293 1 175 . 1 1 17 17 GLU HB3 H 1 2.121 0.020 . 2 . . . . A 17 GLU HB3 . 34293 1 176 . 1 1 17 17 GLU HG2 H 1 2.190 0.020 . 2 . . . . A 17 GLU HG2 . 34293 1 177 . 1 1 17 17 GLU HG3 H 1 2.294 0.020 . 2 . . . . A 17 GLU HG3 . 34293 1 178 . 1 1 17 17 GLU C C 13 176.853 0.3 . 1 . . . . A 17 GLU C . 34293 1 179 . 1 1 17 17 GLU CA C 13 56.773 0.3 . 1 . . . . A 17 GLU CA . 34293 1 180 . 1 1 17 17 GLU CB C 13 29.953 0.3 . 1 . . . . A 17 GLU CB . 34293 1 181 . 1 1 17 17 GLU CG C 13 36.822 0.3 . 1 . . . . A 17 GLU CG . 34293 1 182 . 1 1 17 17 GLU N N 15 115.350 0.3 . 1 . . . . A 17 GLU N . 34293 1 183 . 1 1 18 18 ARG H H 1 8.124 0.020 . 1 . . . . A 18 ARG H . 34293 1 184 . 1 1 18 18 ARG HA H 1 4.370 0.020 . 1 . . . . A 18 ARG HA . 34293 1 185 . 1 1 18 18 ARG HB2 H 1 1.546 0.020 . 2 . . . . A 18 ARG HB2 . 34293 1 186 . 1 1 18 18 ARG HB3 H 1 1.958 0.020 . 2 . . . . A 18 ARG HB3 . 34293 1 187 . 1 1 18 18 ARG HG2 H 1 1.480 0.020 . 2 . . . . A 18 ARG HG2 . 34293 1 188 . 1 1 18 18 ARG HG3 H 1 1.546 0.020 . 2 . . . . A 18 ARG HG3 . 34293 1 189 . 1 1 18 18 ARG HD2 H 1 3.212 0.020 . 1 . . . . A 18 ARG HD2 . 34293 1 190 . 1 1 18 18 ARG HD3 H 1 3.212 0.020 . 1 . . . . A 18 ARG HD3 . 34293 1 191 . 1 1 18 18 ARG C C 13 173.917 0.3 . 1 . . . . A 18 ARG C . 34293 1 192 . 1 1 18 18 ARG CA C 13 54.810 0.3 . 1 . . . . A 18 ARG CA . 34293 1 193 . 1 1 18 18 ARG CB C 13 30.929 0.3 . 1 . . . . A 18 ARG CB . 34293 1 194 . 1 1 18 18 ARG CG C 13 27.432 0.3 . 1 . . . . A 18 ARG CG . 34293 1 195 . 1 1 18 18 ARG CD C 13 43.431 0.3 . 1 . . . . A 18 ARG CD . 34293 1 196 . 1 1 18 18 ARG N N 15 121.780 0.3 . 1 . . . . A 18 ARG N . 34293 1 197 . 1 1 19 19 VAL H H 1 7.575 0.020 . 1 . . . . A 19 VAL H . 34293 1 198 . 1 1 19 19 VAL HA H 1 3.862 0.020 . 1 . . . . A 19 VAL HA . 34293 1 199 . 1 1 19 19 VAL HB H 1 1.890 0.020 . 1 . . . . A 19 VAL HB . 34293 1 200 . 1 1 19 19 VAL HG11 H 1 0.812 0.020 . 2 . . . . A 19 VAL HG11 . 34293 1 201 . 1 1 19 19 VAL HG12 H 1 0.812 0.020 . 2 . . . . A 19 VAL HG12 . 34293 1 202 . 1 1 19 19 VAL HG13 H 1 0.812 0.020 . 2 . . . . A 19 VAL HG13 . 34293 1 203 . 1 1 19 19 VAL HG21 H 1 0.868 0.020 . 2 . . . . A 19 VAL HG21 . 34293 1 204 . 1 1 19 19 VAL HG22 H 1 0.868 0.020 . 2 . . . . A 19 VAL HG22 . 34293 1 205 . 1 1 19 19 VAL HG23 H 1 0.868 0.020 . 2 . . . . A 19 VAL HG23 . 34293 1 206 . 1 1 19 19 VAL C C 13 175.148 0.3 . 1 . . . . A 19 VAL C . 34293 1 207 . 1 1 19 19 VAL CA C 13 62.574 0.3 . 1 . . . . A 19 VAL CA . 34293 1 208 . 1 1 19 19 VAL CB C 13 32.782 0.3 . 1 . . . . A 19 VAL CB . 34293 1 209 . 1 1 19 19 VAL CG1 C 13 21.122 0.3 . 1 . . . . A 19 VAL CG1 . 34293 1 210 . 1 1 19 19 VAL CG2 C 13 22.111 0.3 . 1 . . . . A 19 VAL CG2 . 34293 1 211 . 1 1 19 19 VAL N N 15 121.683 0.3 . 1 . . . . A 19 VAL N . 34293 1 212 . 1 1 20 20 PHE H H 1 8.174 0.020 . 1 . . . . A 20 PHE H . 34293 1 213 . 1 1 20 20 PHE HA H 1 4.528 0.020 . 1 . . . . A 20 PHE HA . 34293 1 214 . 1 1 20 20 PHE HB2 H 1 2.703 0.020 . 2 . . . . A 20 PHE HB2 . 34293 1 215 . 1 1 20 20 PHE HB3 H 1 2.805 0.020 . 2 . . . . A 20 PHE HB3 . 34293 1 216 . 1 1 20 20 PHE HD1 H 1 7.114 0.020 . 3 . . . . A 20 PHE HD1 . 34293 1 217 . 1 1 20 20 PHE HD2 H 1 7.277 0.020 . 3 . . . . A 20 PHE HD2 . 34293 1 218 . 1 1 20 20 PHE HE1 H 1 7.269 0.020 . 1 . . . . A 20 PHE HE1 . 34293 1 219 . 1 1 20 20 PHE HE2 H 1 7.269 0.020 . 1 . . . . A 20 PHE HE2 . 34293 1 220 . 1 1 20 20 PHE C C 13 174.710 0.3 . 1 . . . . A 20 PHE C . 34293 1 221 . 1 1 20 20 PHE CA C 13 57.318 0.3 . 1 . . . . A 20 PHE CA . 34293 1 222 . 1 1 20 20 PHE CB C 13 39.295 0.3 . 1 . . . . A 20 PHE CB . 34293 1 223 . 1 1 20 20 PHE CD1 C 13 131.541 0.3 . 1 . . . . A 20 PHE CD1 . 34293 1 224 . 1 1 20 20 PHE CD2 C 13 131.494 0.3 . 1 . . . . A 20 PHE CD2 . 34293 1 225 . 1 1 20 20 PHE CE1 C 13 129.761 0.3 . 1 . . . . A 20 PHE CE1 . 34293 1 226 . 1 1 20 20 PHE CE2 C 13 129.761 0.3 . 1 . . . . A 20 PHE CE2 . 34293 1 227 . 1 1 20 20 PHE N N 15 127.021 0.3 . 1 . . . . A 20 PHE N . 34293 1 228 . 1 1 21 21 ASN H H 1 8.495 0.020 . 1 . . . . A 21 ASN H . 34293 1 229 . 1 1 21 21 ASN HA H 1 5.589 0.020 . 1 . . . . A 21 ASN HA . 34293 1 230 . 1 1 21 21 ASN HB2 H 1 2.536 0.020 . 2 . . . . A 21 ASN HB2 . 34293 1 231 . 1 1 21 21 ASN HB3 H 1 2.614 0.020 . 2 . . . . A 21 ASN HB3 . 34293 1 232 . 1 1 21 21 ASN HD21 H 1 7.269 0.020 . 1 . . . . A 21 ASN HD21 . 34293 1 233 . 1 1 21 21 ASN HD22 H 1 6.640 0.020 . 1 . . . . A 21 ASN HD22 . 34293 1 234 . 1 1 21 21 ASN CA C 13 52.900 0.3 . 1 . . . . A 21 ASN CA . 34293 1 235 . 1 1 21 21 ASN CB C 13 40.877 0.3 . 1 . . . . A 21 ASN CB . 34293 1 236 . 1 1 21 21 ASN N N 15 123.492 0.3 . 1 . . . . A 21 ASN N . 34293 1 237 . 1 1 21 21 ASN ND2 N 15 111.995 0.3 . 1 . . . . A 21 ASN ND2 . 34293 1 238 . 1 1 22 22 HIS HA H 1 4.746 0.020 . 1 . . . . A 22 HIS HA . 34293 1 239 . 1 1 22 22 HIS HB2 H 1 3.033 0.020 . 2 . . . . A 22 HIS HB2 . 34293 1 240 . 1 1 22 22 HIS HB3 H 1 3.132 0.020 . 2 . . . . A 22 HIS HB3 . 34293 1 241 . 1 1 22 22 HIS HD2 H 1 6.966 0.020 . 1 . . . . A 22 HIS HD2 . 34293 1 242 . 1 1 22 22 HIS HE1 H 1 7.755 0.020 . 1 . . . . A 22 HIS HE1 . 34293 1 243 . 1 1 22 22 HIS CA C 13 57.339 0.3 . 1 . . . . A 22 HIS CA . 34293 1 244 . 1 1 22 22 HIS CB C 13 33.387 0.3 . 1 . . . . A 22 HIS CB . 34293 1 245 . 1 1 22 22 HIS CD2 C 13 120.261 0.3 . 1 . . . . A 22 HIS CD2 . 34293 1 246 . 1 1 22 22 HIS CE1 C 13 138.880 0.3 . 1 . . . . A 22 HIS CE1 . 34293 1 247 . 1 1 22 22 HIS ND1 N 15 216.638 0.3 . 1 . . . . A 22 HIS ND1 . 34293 1 248 . 1 1 22 22 HIS NE2 N 15 177.084 0.3 . 1 . . . . A 22 HIS NE2 . 34293 1 249 . 1 1 23 23 ASP HA H 1 4.178 0.020 . 1 . . . . A 23 ASP HA . 34293 1 250 . 1 1 23 23 ASP HB2 H 1 2.066 0.020 . 2 . . . . A 23 ASP HB2 . 34293 1 251 . 1 1 23 23 ASP HB3 H 1 2.887 0.020 . 2 . . . . A 23 ASP HB3 . 34293 1 252 . 1 1 23 23 ASP C C 13 175.326 0.3 . 1 . . . . A 23 ASP C . 34293 1 253 . 1 1 23 23 ASP CA C 13 54.866 0.3 . 1 . . . . A 23 ASP CA . 34293 1 254 . 1 1 23 23 ASP CB C 13 39.725 0.3 . 1 . . . . A 23 ASP CB . 34293 1 255 . 1 1 24 24 GLY H H 1 8.458 0.020 . 1 . . . . A 24 GLY H . 34293 1 256 . 1 1 24 24 GLY HA2 H 1 3.598 0.020 . 2 . . . . A 24 GLY HA2 . 34293 1 257 . 1 1 24 24 GLY HA3 H 1 4.140 0.020 . 2 . . . . A 24 GLY HA3 . 34293 1 258 . 1 1 24 24 GLY C C 13 173.701 0.3 . 1 . . . . A 24 GLY C . 34293 1 259 . 1 1 24 24 GLY CA C 13 45.499 0.3 . 1 . . . . A 24 GLY CA . 34293 1 260 . 1 1 24 24 GLY N N 15 104.257 0.3 . 1 . . . . A 24 GLY N . 34293 1 261 . 1 1 25 25 GLU H H 1 7.864 0.020 . 1 . . . . A 25 GLU H . 34293 1 262 . 1 1 25 25 GLU HA H 1 4.585 0.020 . 1 . . . . A 25 GLU HA . 34293 1 263 . 1 1 25 25 GLU HB2 H 1 1.891 0.020 . 2 . . . . A 25 GLU HB2 . 34293 1 264 . 1 1 25 25 GLU HB3 H 1 1.926 0.020 . 2 . . . . A 25 GLU HB3 . 34293 1 265 . 1 1 25 25 GLU HG2 H 1 2.127 0.020 . 1 . . . . A 25 GLU HG2 . 34293 1 266 . 1 1 25 25 GLU HG3 H 1 2.127 0.020 . 1 . . . . A 25 GLU HG3 . 34293 1 267 . 1 1 25 25 GLU C C 13 173.660 0.3 . 1 . . . . A 25 GLU C . 34293 1 268 . 1 1 25 25 GLU CA C 13 54.094 0.3 . 1 . . . . A 25 GLU CA . 34293 1 269 . 1 1 25 25 GLU CB C 13 32.470 0.3 . 1 . . . . A 25 GLU CB . 34293 1 270 . 1 1 25 25 GLU CG C 13 35.865 0.3 . 1 . . . . A 25 GLU CG . 34293 1 271 . 1 1 25 25 GLU N N 15 121.129 0.3 . 1 . . . . A 25 GLU N . 34293 1 272 . 1 1 26 26 ALA H H 1 8.413 0.020 . 1 . . . . A 26 ALA H . 34293 1 273 . 1 1 26 26 ALA HA H 1 4.672 0.020 . 1 . . . . A 26 ALA HA . 34293 1 274 . 1 1 26 26 ALA HB1 H 1 1.221 0.020 . 1 . . . . A 26 ALA HB1 . 34293 1 275 . 1 1 26 26 ALA HB2 H 1 1.221 0.020 . 1 . . . . A 26 ALA HB2 . 34293 1 276 . 1 1 26 26 ALA HB3 H 1 1.221 0.020 . 1 . . . . A 26 ALA HB3 . 34293 1 277 . 1 1 26 26 ALA C C 13 176.236 0.3 . 1 . . . . A 26 ALA C . 34293 1 278 . 1 1 26 26 ALA CA C 13 51.350 0.3 . 1 . . . . A 26 ALA CA . 34293 1 279 . 1 1 26 26 ALA CB C 13 21.397 0.3 . 1 . . . . A 26 ALA CB . 34293 1 280 . 1 1 26 26 ALA N N 15 125.040 0.3 . 1 . . . . A 26 ALA N . 34293 1 281 . 1 1 27 27 TYR H H 1 8.551 0.020 . 1 . . . . A 27 TYR H . 34293 1 282 . 1 1 27 27 TYR HA H 1 5.544 0.020 . 1 . . . . A 27 TYR HA . 34293 1 283 . 1 1 27 27 TYR HB2 H 1 3.014 0.020 . 2 . . . . A 27 TYR HB2 . 34293 1 284 . 1 1 27 27 TYR HB3 H 1 3.039 0.020 . 2 . . . . A 27 TYR HB3 . 34293 1 285 . 1 1 27 27 TYR HD1 H 1 7.235 0.020 . 1 . . . . A 27 TYR HD1 . 34293 1 286 . 1 1 27 27 TYR HD2 H 1 7.235 0.020 . 1 . . . . A 27 TYR HD2 . 34293 1 287 . 1 1 27 27 TYR HE1 H 1 6.819 0.020 . 1 . . . . A 27 TYR HE1 . 34293 1 288 . 1 1 27 27 TYR HE2 H 1 6.819 0.020 . 1 . . . . A 27 TYR HE2 . 34293 1 289 . 1 1 27 27 TYR C C 13 175.511 0.3 . 1 . . . . A 27 TYR C . 34293 1 290 . 1 1 27 27 TYR CA C 13 56.553 0.3 . 1 . . . . A 27 TYR CA . 34293 1 291 . 1 1 27 27 TYR CB C 13 43.009 0.3 . 1 . . . . A 27 TYR CB . 34293 1 292 . 1 1 27 27 TYR CD1 C 13 133.733 0.3 . 1 . . . . A 27 TYR CD1 . 34293 1 293 . 1 1 27 27 TYR CD2 C 13 133.733 0.3 . 1 . . . . A 27 TYR CD2 . 34293 1 294 . 1 1 27 27 TYR CE1 C 13 118.320 0.3 . 1 . . . . A 27 TYR CE1 . 34293 1 295 . 1 1 27 27 TYR N N 15 115.945 0.3 . 1 . . . . A 27 TYR N . 34293 1 296 . 1 1 28 28 CYS H H 1 9.832 0.020 . 1 . . . . A 28 CYS H . 34293 1 297 . 1 1 28 28 CYS HA H 1 4.520 0.020 . 1 . . . . A 28 CYS HA . 34293 1 298 . 1 1 28 28 CYS HB2 H 1 2.667 0.020 . 2 . . . . A 28 CYS HB2 . 34293 1 299 . 1 1 28 28 CYS HB3 H 1 3.248 0.020 . 2 . . . . A 28 CYS HB3 . 34293 1 300 . 1 1 28 28 CYS C C 13 175.153 0.3 . 1 . . . . A 28 CYS C . 34293 1 301 . 1 1 28 28 CYS CA C 13 59.259 0.3 . 1 . . . . A 28 CYS CA . 34293 1 302 . 1 1 28 28 CYS CB C 13 31.478 0.3 . 1 . . . . A 28 CYS CB . 34293 1 303 . 1 1 28 28 CYS N N 15 120.215 0.3 . 1 . . . . A 28 CYS N . 34293 1 304 . 1 1 29 29 SER H H 1 7.202 0.020 . 1 . . . . A 29 SER H . 34293 1 305 . 1 1 29 29 SER HA H 1 4.130 0.020 . 1 . . . . A 29 SER HA . 34293 1 306 . 1 1 29 29 SER HB2 H 1 3.832 0.020 . 1 . . . . A 29 SER HB2 . 34293 1 307 . 1 1 29 29 SER HB3 H 1 3.832 0.020 . 1 . . . . A 29 SER HB3 . 34293 1 308 . 1 1 29 29 SER C C 13 172.708 0.3 . 1 . . . . A 29 SER C . 34293 1 309 . 1 1 29 29 SER CA C 13 56.858 0.3 . 1 . . . . A 29 SER CA . 34293 1 310 . 1 1 29 29 SER CB C 13 64.261 0.3 . 1 . . . . A 29 SER CB . 34293 1 311 . 1 1 29 29 SER N N 15 111.108 0.3 . 1 . . . . A 29 SER N . 34293 1 312 . 1 1 30 30 GLN H H 1 8.221 0.020 . 1 . . . . A 30 GLN H . 34293 1 313 . 1 1 30 30 GLN HA H 1 3.023 0.020 . 1 . . . . A 30 GLN HA . 34293 1 314 . 1 1 30 30 GLN HB2 H 1 1.599 0.020 . 1 . . . . A 30 GLN HB2 . 34293 1 315 . 1 1 30 30 GLN HB3 H 1 1.599 0.020 . 1 . . . . A 30 GLN HB3 . 34293 1 316 . 1 1 30 30 GLN HG2 H 1 1.976 0.020 . 1 . . . . A 30 GLN HG2 . 34293 1 317 . 1 1 30 30 GLN HG3 H 1 1.976 0.020 . 1 . . . . A 30 GLN HG3 . 34293 1 318 . 1 1 30 30 GLN HE21 H 1 7.781 0.020 . 1 . . . . A 30 GLN HE21 . 34293 1 319 . 1 1 30 30 GLN HE22 H 1 6.630 0.020 . 1 . . . . A 30 GLN HE22 . 34293 1 320 . 1 1 30 30 GLN C C 13 176.698 0.3 . 1 . . . . A 30 GLN C . 34293 1 321 . 1 1 30 30 GLN CA C 13 58.298 0.3 . 1 . . . . A 30 GLN CA . 34293 1 322 . 1 1 30 30 GLN CB C 13 27.420 0.3 . 1 . . . . A 30 GLN CB . 34293 1 323 . 1 1 30 30 GLN CG C 13 32.492 0.3 . 1 . . . . A 30 GLN CG . 34293 1 324 . 1 1 30 30 GLN N N 15 123.341 0.3 . 1 . . . . A 30 GLN N . 34293 1 325 . 1 1 30 30 GLN NE2 N 15 111.768 0.3 . 1 . . . . A 30 GLN NE2 . 34293 1 326 . 1 1 31 31 ALA H H 1 7.917 0.020 . 1 . . . . A 31 ALA H . 34293 1 327 . 1 1 31 31 ALA HA H 1 3.692 0.020 . 1 . . . . A 31 ALA HA . 34293 1 328 . 1 1 31 31 ALA HB1 H 1 1.001 0.020 . 1 . . . . A 31 ALA HB1 . 34293 1 329 . 1 1 31 31 ALA HB2 H 1 1.001 0.020 . 1 . . . . A 31 ALA HB2 . 34293 1 330 . 1 1 31 31 ALA HB3 H 1 1.001 0.020 . 1 . . . . A 31 ALA HB3 . 34293 1 331 . 1 1 31 31 ALA C C 13 179.031 0.3 . 1 . . . . A 31 ALA C . 34293 1 332 . 1 1 31 31 ALA CA C 13 55.103 0.3 . 1 . . . . A 31 ALA CA . 34293 1 333 . 1 1 31 31 ALA CB C 13 18.655 0.3 . 1 . . . . A 31 ALA CB . 34293 1 334 . 1 1 31 31 ALA N N 15 119.119 0.3 . 1 . . . . A 31 ALA N . 34293 1 335 . 1 1 32 32 CYS H H 1 7.140 0.020 . 1 . . . . A 32 CYS H . 34293 1 336 . 1 1 32 32 CYS HA H 1 3.510 0.020 . 1 . . . . A 32 CYS HA . 34293 1 337 . 1 1 32 32 CYS HB2 H 1 2.720 0.020 . 2 . . . . A 32 CYS HB2 . 34293 1 338 . 1 1 32 32 CYS HB3 H 1 3.205 0.020 . 2 . . . . A 32 CYS HB3 . 34293 1 339 . 1 1 32 32 CYS C C 13 177.037 0.3 . 1 . . . . A 32 CYS C . 34293 1 340 . 1 1 32 32 CYS CA C 13 61.879 0.3 . 1 . . . . A 32 CYS CA . 34293 1 341 . 1 1 32 32 CYS CB C 13 31.715 0.3 . 1 . . . . A 32 CYS CB . 34293 1 342 . 1 1 32 32 CYS N N 15 113.624 0.3 . 1 . . . . A 32 CYS N . 34293 1 343 . 1 1 33 33 ALA H H 1 7.479 0.020 . 1 . . . . A 33 ALA H . 34293 1 344 . 1 1 33 33 ALA HA H 1 1.857 0.020 . 1 . . . . A 33 ALA HA . 34293 1 345 . 1 1 33 33 ALA HB1 H 1 0.903 0.020 . 1 . . . . A 33 ALA HB1 . 34293 1 346 . 1 1 33 33 ALA HB2 H 1 0.903 0.020 . 1 . . . . A 33 ALA HB2 . 34293 1 347 . 1 1 33 33 ALA HB3 H 1 0.903 0.020 . 1 . . . . A 33 ALA HB3 . 34293 1 348 . 1 1 33 33 ALA C C 13 177.924 0.3 . 1 . . . . A 33 ALA C . 34293 1 349 . 1 1 33 33 ALA CA C 13 54.338 0.3 . 1 . . . . A 33 ALA CA . 34293 1 350 . 1 1 33 33 ALA CB C 13 18.820 0.3 . 1 . . . . A 33 ALA CB . 34293 1 351 . 1 1 33 33 ALA N N 15 123.961 0.3 . 1 . . . . A 33 ALA N . 34293 1 352 . 1 1 34 34 GLU H H 1 7.467 0.020 . 1 . . . . A 34 GLU H . 34293 1 353 . 1 1 34 34 GLU HA H 1 3.887 0.020 . 1 . . . . A 34 GLU HA . 34293 1 354 . 1 1 34 34 GLU HB2 H 1 1.466 0.020 . 2 . . . . A 34 GLU HB2 . 34293 1 355 . 1 1 34 34 GLU HB3 H 1 1.952 0.020 . 2 . . . . A 34 GLU HB3 . 34293 1 356 . 1 1 34 34 GLU HG2 H 1 1.867 0.020 . 2 . . . . A 34 GLU HG2 . 34293 1 357 . 1 1 34 34 GLU HG3 H 1 2.129 0.020 . 2 . . . . A 34 GLU HG3 . 34293 1 358 . 1 1 34 34 GLU C C 13 175.263 0.3 . 1 . . . . A 34 GLU C . 34293 1 359 . 1 1 34 34 GLU CA C 13 55.305 0.3 . 1 . . . . A 34 GLU CA . 34293 1 360 . 1 1 34 34 GLU CB C 13 29.118 0.3 . 1 . . . . A 34 GLU CB . 34293 1 361 . 1 1 34 34 GLU CG C 13 36.878 0.3 . 1 . . . . A 34 GLU CG . 34293 1 362 . 1 1 34 34 GLU N N 15 112.311 0.3 . 1 . . . . A 34 GLU N . 34293 1 363 . 1 1 35 35 GLN H H 1 7.378 0.020 . 1 . . . . A 35 GLN H . 34293 1 364 . 1 1 35 35 GLN HA H 1 3.876 0.020 . 1 . . . . A 35 GLN HA . 34293 1 365 . 1 1 35 35 GLN HB2 H 1 2.159 0.020 . 2 . . . . A 35 GLN HB2 . 34293 1 366 . 1 1 35 35 GLN HB3 H 1 2.266 0.020 . 2 . . . . A 35 GLN HB3 . 34293 1 367 . 1 1 35 35 GLN HG2 H 1 2.110 0.020 . 2 . . . . A 35 GLN HG2 . 34293 1 368 . 1 1 35 35 GLN HG3 H 1 2.277 0.020 . 2 . . . . A 35 GLN HG3 . 34293 1 369 . 1 1 35 35 GLN HE21 H 1 7.537 0.020 . 1 . . . . A 35 GLN HE21 . 34293 1 370 . 1 1 35 35 GLN HE22 H 1 6.662 0.020 . 1 . . . . A 35 GLN HE22 . 34293 1 371 . 1 1 35 35 GLN C C 13 175.191 0.3 . 1 . . . . A 35 GLN C . 34293 1 372 . 1 1 35 35 GLN CA C 13 57.085 0.3 . 1 . . . . A 35 GLN CA . 34293 1 373 . 1 1 35 35 GLN CB C 13 25.140 0.3 . 1 . . . . A 35 GLN CB . 34293 1 374 . 1 1 35 35 GLN CG C 13 34.197 0.3 . 1 . . . . A 35 GLN CG . 34293 1 375 . 1 1 35 35 GLN N N 15 112.915 0.3 . 1 . . . . A 35 GLN N . 34293 1 376 . 1 1 35 35 GLN NE2 N 15 112.578 0.3 . 1 . . . . A 35 GLN NE2 . 34293 1 377 . 1 1 36 36 HIS H H 1 8.440 0.020 . 1 . . . . A 36 HIS H . 34293 1 378 . 1 1 36 36 HIS HA H 1 3.732 0.020 . 1 . . . . A 36 HIS HA . 34293 1 379 . 1 1 36 36 HIS HB2 H 1 2.745 0.020 . 2 . . . . A 36 HIS HB2 . 34293 1 380 . 1 1 36 36 HIS HB3 H 1 3.385 0.020 . 2 . . . . A 36 HIS HB3 . 34293 1 381 . 1 1 36 36 HIS HD2 H 1 6.847 0.020 . 1 . . . . A 36 HIS HD2 . 34293 1 382 . 1 1 36 36 HIS HE1 H 1 7.476 0.020 . 1 . . . . A 36 HIS HE1 . 34293 1 383 . 1 1 36 36 HIS CA C 13 56.650 0.3 . 1 . . . . A 36 HIS CA . 34293 1 384 . 1 1 36 36 HIS CB C 13 27.051 0.3 . 1 . . . . A 36 HIS CB . 34293 1 385 . 1 1 36 36 HIS CD2 C 13 127.934 0.3 . 1 . . . . A 36 HIS CD2 . 34293 1 386 . 1 1 36 36 HIS CE1 C 13 138.999 0.3 . 1 . . . . A 36 HIS CE1 . 34293 1 387 . 1 1 36 36 HIS N N 15 111.038 0.3 . 1 . . . . A 36 HIS N . 34293 1 388 . 1 1 36 36 HIS ND1 N 15 174.256 0.3 . 1 . . . . A 36 HIS ND1 . 34293 1 389 . 1 1 36 36 HIS NE2 N 15 223.655 0.3 . 1 . . . . A 36 HIS NE2 . 34293 1 390 . 1 1 37 37 PRO HA H 1 4.309 0.020 . 1 . . . . A 37 PRO HA . 34293 1 391 . 1 1 37 37 PRO HB2 H 1 1.877 0.020 . 2 . . . . A 37 PRO HB2 . 34293 1 392 . 1 1 37 37 PRO HB3 H 1 2.198 0.020 . 2 . . . . A 37 PRO HB3 . 34293 1 393 . 1 1 37 37 PRO HG2 H 1 1.938 0.020 . 2 . . . . A 37 PRO HG2 . 34293 1 394 . 1 1 37 37 PRO HG3 H 1 2.061 0.020 . 2 . . . . A 37 PRO HG3 . 34293 1 395 . 1 1 37 37 PRO HD2 H 1 3.434 0.020 . 2 . . . . A 37 PRO HD2 . 34293 1 396 . 1 1 37 37 PRO HD3 H 1 3.530 0.020 . 2 . . . . A 37 PRO HD3 . 34293 1 397 . 1 1 37 37 PRO CA C 13 64.496 0.3 . 1 . . . . A 37 PRO CA . 34293 1 398 . 1 1 37 37 PRO CB C 13 31.299 0.3 . 1 . . . . A 37 PRO CB . 34293 1 399 . 1 1 37 37 PRO CG C 13 27.345 0.3 . 1 . . . . A 37 PRO CG . 34293 1 400 . 1 1 37 37 PRO CD C 13 50.597 0.3 . 1 . . . . A 37 PRO CD . 34293 1 401 . 1 1 38 38 ASN HA H 1 4.750 0.020 . 1 . . . . A 38 ASN HA . 34293 1 402 . 1 1 38 38 ASN HB2 H 1 2.588 0.020 . 2 . . . . A 38 ASN HB2 . 34293 1 403 . 1 1 38 38 ASN HB3 H 1 2.906 0.020 . 2 . . . . A 38 ASN HB3 . 34293 1 404 . 1 1 38 38 ASN HD21 H 1 7.867 0.020 . 1 . . . . A 38 ASN HD21 . 34293 1 405 . 1 1 38 38 ASN HD22 H 1 6.952 0.020 . 1 . . . . A 38 ASN HD22 . 34293 1 406 . 1 1 38 38 ASN C C 13 175.788 0.3 . 1 . . . . A 38 ASN C . 34293 1 407 . 1 1 38 38 ASN CA C 13 52.830 0.3 . 1 . . . . A 38 ASN CA . 34293 1 408 . 1 1 38 38 ASN CB C 13 38.918 0.3 . 1 . . . . A 38 ASN CB . 34293 1 409 . 1 1 38 38 ASN ND2 N 15 115.614 0.3 . 1 . . . . A 38 ASN ND2 . 34293 1 410 . 1 1 39 39 GLY H H 1 8.016 0.020 . 1 . . . . A 39 GLY H . 34293 1 411 . 1 1 39 39 GLY HA2 H 1 3.651 0.020 . 2 . . . . A 39 GLY HA2 . 34293 1 412 . 1 1 39 39 GLY HA3 H 1 3.934 0.020 . 2 . . . . A 39 GLY HA3 . 34293 1 413 . 1 1 39 39 GLY CA C 13 46.053 0.3 . 1 . . . . A 39 GLY CA . 34293 1 414 . 1 1 39 39 GLY N N 15 107.510 0.3 . 1 . . . . A 39 GLY N . 34293 1 415 . 1 1 40 40 GLU HA H 1 4.284 0.020 . 1 . . . . A 40 GLU HA . 34293 1 416 . 1 1 40 40 GLU HB2 H 1 1.807 0.020 . 2 . . . . A 40 GLU HB2 . 34293 1 417 . 1 1 40 40 GLU HB3 H 1 1.965 0.020 . 2 . . . . A 40 GLU HB3 . 34293 1 418 . 1 1 40 40 GLU HG2 H 1 2.231 0.020 . 2 . . . . A 40 GLU HG2 . 34293 1 419 . 1 1 40 40 GLU HG3 H 1 2.403 0.020 . 2 . . . . A 40 GLU HG3 . 34293 1 420 . 1 1 40 40 GLU CA C 13 54.882 0.3 . 1 . . . . A 40 GLU CA . 34293 1 421 . 1 1 40 40 GLU CB C 13 27.054 0.3 . 1 . . . . A 40 GLU CB . 34293 1 422 . 1 1 40 40 GLU CG C 13 35.927 0.3 . 1 . . . . A 40 GLU CG . 34293 1 423 . 1 1 41 41 PRO HA H 1 4.392 0.020 . 1 . . . . A 41 PRO HA . 34293 1 424 . 1 1 41 41 PRO HB2 H 1 2.196 0.020 . 2 . . . . A 41 PRO HB2 . 34293 1 425 . 1 1 41 41 PRO HB3 H 1 2.150 0.020 . 2 . . . . A 41 PRO HB3 . 34293 1 426 . 1 1 41 41 PRO HG2 H 1 1.893 0.020 . 2 . . . . A 41 PRO HG2 . 34293 1 427 . 1 1 41 41 PRO HG3 H 1 1.960 0.020 . 2 . . . . A 41 PRO HG3 . 34293 1 428 . 1 1 41 41 PRO HD2 H 1 3.610 0.020 . 2 . . . . A 41 PRO HD2 . 34293 1 429 . 1 1 41 41 PRO HD3 H 1 3.895 0.020 . 2 . . . . A 41 PRO HD3 . 34293 1 430 . 1 1 41 41 PRO C C 13 177.122 0.3 . 1 . . . . A 41 PRO C . 34293 1 431 . 1 1 41 41 PRO CA C 13 62.864 0.3 . 1 . . . . A 41 PRO CA . 34293 1 432 . 1 1 41 41 PRO CB C 13 32.678 0.3 . 1 . . . . A 41 PRO CB . 34293 1 433 . 1 1 41 41 PRO CG C 13 26.954 0.3 . 1 . . . . A 41 PRO CG . 34293 1 434 . 1 1 41 41 PRO CD C 13 50.841 0.3 . 1 . . . . A 41 PRO CD . 34293 1 435 . 1 1 42 42 CYS H H 1 9.078 0.020 . 1 . . . . A 42 CYS H . 34293 1 436 . 1 1 42 42 CYS HA H 1 4.772 0.020 . 1 . . . . A 42 CYS HA . 34293 1 437 . 1 1 42 42 CYS HB2 H 1 2.727 0.020 . 2 . . . . A 42 CYS HB2 . 34293 1 438 . 1 1 42 42 CYS HB3 H 1 3.726 0.020 . 2 . . . . A 42 CYS HB3 . 34293 1 439 . 1 1 42 42 CYS CA C 13 57.562 0.3 . 1 . . . . A 42 CYS CA . 34293 1 440 . 1 1 42 42 CYS CB C 13 30.286 0.3 . 1 . . . . A 42 CYS CB . 34293 1 441 . 1 1 42 42 CYS N N 15 120.026 0.3 . 1 . . . . A 42 CYS N . 34293 1 442 . 1 1 43 43 PRO HA H 1 4.358 0.020 . 1 . . . . A 43 PRO HA . 34293 1 443 . 1 1 43 43 PRO HB2 H 1 2.036 0.020 . 2 . . . . A 43 PRO HB2 . 34293 1 444 . 1 1 43 43 PRO HB3 H 1 2.437 0.020 . 2 . . . . A 43 PRO HB3 . 34293 1 445 . 1 1 43 43 PRO HG2 H 1 2.103 0.020 . 1 . . . . A 43 PRO HG2 . 34293 1 446 . 1 1 43 43 PRO HG3 H 1 2.103 0.020 . 1 . . . . A 43 PRO HG3 . 34293 1 447 . 1 1 43 43 PRO HD2 H 1 3.739 0.020 . 2 . . . . A 43 PRO HD2 . 34293 1 448 . 1 1 43 43 PRO HD3 H 1 4.231 0.020 . 2 . . . . A 43 PRO HD3 . 34293 1 449 . 1 1 43 43 PRO C C 13 177.039 0.3 . 1 . . . . A 43 PRO C . 34293 1 450 . 1 1 43 43 PRO CA C 13 64.488 0.3 . 1 . . . . A 43 PRO CA . 34293 1 451 . 1 1 43 43 PRO CB C 13 32.497 0.3 . 1 . . . . A 43 PRO CB . 34293 1 452 . 1 1 43 43 PRO CG C 13 27.426 0.3 . 1 . . . . A 43 PRO CG . 34293 1 453 . 1 1 43 43 PRO CD C 13 51.715 0.3 . 1 . . . . A 43 PRO CD . 34293 1 454 . 1 1 44 44 ALA H H 1 7.971 0.020 . 1 . . . . A 44 ALA H . 34293 1 455 . 1 1 44 44 ALA HA H 1 4.918 0.020 . 1 . . . . A 44 ALA HA . 34293 1 456 . 1 1 44 44 ALA HB1 H 1 1.386 0.020 . 1 . . . . A 44 ALA HB1 . 34293 1 457 . 1 1 44 44 ALA HB2 H 1 1.386 0.020 . 1 . . . . A 44 ALA HB2 . 34293 1 458 . 1 1 44 44 ALA HB3 H 1 1.386 0.020 . 1 . . . . A 44 ALA HB3 . 34293 1 459 . 1 1 44 44 ALA CA C 13 49.502 0.3 . 1 . . . . A 44 ALA CA . 34293 1 460 . 1 1 44 44 ALA CB C 13 18.738 0.3 . 1 . . . . A 44 ALA CB . 34293 1 461 . 1 1 44 44 ALA N N 15 124.122 0.3 . 1 . . . . A 44 ALA N . 34293 1 462 . 1 1 45 45 PRO HA H 1 4.037 0.020 . 1 . . . . A 45 PRO HA . 34293 1 463 . 1 1 45 45 PRO HB2 H 1 1.958 0.020 . 2 . . . . A 45 PRO HB2 . 34293 1 464 . 1 1 45 45 PRO HB3 H 1 2.326 0.020 . 2 . . . . A 45 PRO HB3 . 34293 1 465 . 1 1 45 45 PRO HG2 H 1 2.026 0.020 . 1 . . . . A 45 PRO HG2 . 34293 1 466 . 1 1 45 45 PRO HG3 H 1 2.026 0.020 . 1 . . . . A 45 PRO HG3 . 34293 1 467 . 1 1 45 45 PRO HD2 H 1 3.876 0.020 . 2 . . . . A 45 PRO HD2 . 34293 1 468 . 1 1 45 45 PRO HD3 H 1 4.154 0.020 . 2 . . . . A 45 PRO HD3 . 34293 1 469 . 1 1 45 45 PRO C C 13 176.563 0.3 . 1 . . . . A 45 PRO C . 34293 1 470 . 1 1 45 45 PRO CA C 13 64.222 0.3 . 1 . . . . A 45 PRO CA . 34293 1 471 . 1 1 45 45 PRO CB C 13 31.999 0.3 . 1 . . . . A 45 PRO CB . 34293 1 472 . 1 1 45 45 PRO CG C 13 27.382 0.3 . 1 . . . . A 45 PRO CG . 34293 1 473 . 1 1 45 45 PRO CD C 13 51.074 0.3 . 1 . . . . A 45 PRO CD . 34293 1 474 . 1 1 46 46 ASP H H 1 8.270 0.020 . 1 . . . . A 46 ASP H . 34293 1 475 . 1 1 46 46 ASP HA H 1 4.480 0.020 . 1 . . . . A 46 ASP HA . 34293 1 476 . 1 1 46 46 ASP HB2 H 1 2.645 0.020 . 2 . . . . A 46 ASP HB2 . 34293 1 477 . 1 1 46 46 ASP HB3 H 1 2.814 0.020 . 2 . . . . A 46 ASP HB3 . 34293 1 478 . 1 1 46 46 ASP C C 13 174.464 0.3 . 1 . . . . A 46 ASP C . 34293 1 479 . 1 1 46 46 ASP CA C 13 52.646 0.3 . 1 . . . . A 46 ASP CA . 34293 1 480 . 1 1 46 46 ASP CB C 13 39.997 0.3 . 1 . . . . A 46 ASP CB . 34293 1 481 . 1 1 46 46 ASP N N 15 114.083 0.3 . 1 . . . . A 46 ASP N . 34293 1 482 . 1 1 47 47 CYS H H 1 7.234 0.020 . 1 . . . . A 47 CYS H . 34293 1 483 . 1 1 47 47 CYS HB2 H 1 2.920 0.020 . 1 . . . . A 47 CYS HB2 . 34293 1 484 . 1 1 47 47 CYS HB3 H 1 2.920 0.020 . 1 . . . . A 47 CYS HB3 . 34293 1 485 . 1 1 47 47 CYS N N 15 122.163 0.3 . 1 . . . . A 47 CYS N . 34293 1 486 . 1 1 48 48 HIS HA H 1 4.709 0.020 . 1 . . . . A 48 HIS HA . 34293 1 487 . 1 1 48 48 HIS HB2 H 1 3.179 0.020 . 1 . . . . A 48 HIS HB2 . 34293 1 488 . 1 1 48 48 HIS HB3 H 1 3.179 0.020 . 1 . . . . A 48 HIS HB3 . 34293 1 489 . 1 1 48 48 HIS HD2 H 1 6.936 0.020 . 1 . . . . A 48 HIS HD2 . 34293 1 490 . 1 1 48 48 HIS HE1 H 1 7.971 0.020 . 1 . . . . A 48 HIS HE1 . 34293 1 491 . 1 1 48 48 HIS CA C 13 57.802 0.3 . 1 . . . . A 48 HIS CA . 34293 1 492 . 1 1 48 48 HIS CB C 13 28.083 0.3 . 1 . . . . A 48 HIS CB . 34293 1 493 . 1 1 48 48 HIS CD2 C 13 121.367 0.3 . 1 . . . . A 48 HIS CD2 . 34293 1 494 . 1 1 48 48 HIS CE1 C 13 137.795 0.3 . 1 . . . . A 48 HIS CE1 . 34293 1 495 . 1 1 48 48 HIS ND1 N 15 190.727 0.3 . 1 . . . . A 48 HIS ND1 . 34293 1 496 . 1 1 48 48 HIS NE2 N 15 179.410 0.3 . 1 . . . . A 48 HIS NE2 . 34293 1 497 . 1 1 49 49 CYS HA H 1 4.269 0.020 . 1 . . . . A 49 CYS HA . 34293 1 498 . 1 1 49 49 CYS HB2 H 1 2.653 0.020 . 2 . . . . A 49 CYS HB2 . 34293 1 499 . 1 1 49 49 CYS HB3 H 1 3.617 0.020 . 2 . . . . A 49 CYS HB3 . 34293 1 500 . 1 1 49 49 CYS C C 13 173.443 0.3 . 1 . . . . A 49 CYS C . 34293 1 501 . 1 1 49 49 CYS CA C 13 59.983 0.3 . 1 . . . . A 49 CYS CA . 34293 1 502 . 1 1 49 49 CYS CB C 13 30.777 0.3 . 1 . . . . A 49 CYS CB . 34293 1 503 . 1 1 50 50 GLU H H 1 9.462 0.020 . 1 . . . . A 50 GLU H . 34293 1 504 . 1 1 50 50 GLU HA H 1 3.368 0.020 . 1 . . . . A 50 GLU HA . 34293 1 505 . 1 1 50 50 GLU HB2 H 1 1.204 0.020 . 2 . . . . A 50 GLU HB2 . 34293 1 506 . 1 1 50 50 GLU HB3 H 1 1.393 0.020 . 2 . . . . A 50 GLU HB3 . 34293 1 507 . 1 1 50 50 GLU HG2 H 1 1.854 0.020 . 2 . . . . A 50 GLU HG2 . 34293 1 508 . 1 1 50 50 GLU HG3 H 1 2.170 0.020 . 2 . . . . A 50 GLU HG3 . 34293 1 509 . 1 1 50 50 GLU C C 13 175.402 0.3 . 1 . . . . A 50 GLU C . 34293 1 510 . 1 1 50 50 GLU CA C 13 56.073 0.3 . 1 . . . . A 50 GLU CA . 34293 1 511 . 1 1 50 50 GLU CB C 13 28.762 0.3 . 1 . . . . A 50 GLU CB . 34293 1 512 . 1 1 50 50 GLU CG C 13 34.895 0.3 . 1 . . . . A 50 GLU CG . 34293 1 513 . 1 1 50 50 GLU N N 15 124.906 0.3 . 1 . . . . A 50 GLU N . 34293 1 514 . 1 1 51 51 ARG H H 1 7.614 0.020 . 1 . . . . A 51 ARG H . 34293 1 515 . 1 1 51 51 ARG HA H 1 4.288 0.020 . 1 . . . . A 51 ARG HA . 34293 1 516 . 1 1 51 51 ARG HB2 H 1 1.830 0.020 . 1 . . . . A 51 ARG HB2 . 34293 1 517 . 1 1 51 51 ARG HB3 H 1 1.830 0.020 . 1 . . . . A 51 ARG HB3 . 34293 1 518 . 1 1 51 51 ARG HG2 H 1 1.562 0.020 . 1 . . . . A 51 ARG HG2 . 34293 1 519 . 1 1 51 51 ARG HG3 H 1 1.562 0.020 . 1 . . . . A 51 ARG HG3 . 34293 1 520 . 1 1 51 51 ARG HD2 H 1 3.091 0.020 . 2 . . . . A 51 ARG HD2 . 34293 1 521 . 1 1 51 51 ARG HD3 H 1 3.122 0.020 . 2 . . . . A 51 ARG HD3 . 34293 1 522 . 1 1 51 51 ARG C C 13 175.061 0.3 . 1 . . . . A 51 ARG C . 34293 1 523 . 1 1 51 51 ARG CA C 13 56.099 0.3 . 1 . . . . A 51 ARG CA . 34293 1 524 . 1 1 51 51 ARG CB C 13 30.500 0.3 . 1 . . . . A 51 ARG CB . 34293 1 525 . 1 1 51 51 ARG CG C 13 27.048 0.3 . 1 . . . . A 51 ARG CG . 34293 1 526 . 1 1 51 51 ARG CD C 13 43.588 0.3 . 1 . . . . A 51 ARG CD . 34293 1 527 . 1 1 51 51 ARG N N 15 121.840 0.3 . 1 . . . . A 51 ARG N . 34293 1 528 . 1 1 52 52 SER H H 1 7.789 0.020 . 1 . . . . A 52 SER H . 34293 1 529 . 1 1 52 52 SER HA H 1 4.227 0.020 . 1 . . . . A 52 SER HA . 34293 1 530 . 1 1 52 52 SER HB2 H 1 3.817 0.020 . 1 . . . . A 52 SER HB2 . 34293 1 531 . 1 1 52 52 SER HB3 H 1 3.817 0.020 . 1 . . . . A 52 SER HB3 . 34293 1 532 . 1 1 52 52 SER CA C 13 59.975 0.3 . 1 . . . . A 52 SER CA . 34293 1 533 . 1 1 52 52 SER CB C 13 64.809 0.3 . 1 . . . . A 52 SER CB . 34293 1 534 . 1 1 52 52 SER N N 15 122.170 0.3 . 1 . . . . A 52 SER N . 34293 1 stop_ save_