################################### # 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 25452 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 25452 1 2 '2D 1H-1H NOESY' . . . 25452 1 3 '2D 1H-13C HSQC' . . . 25452 1 4 '2D DQF-COSY' . . . 25452 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $CARA . . 25452 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 CYS HA H 1 4.418 0.020 . 1 . . . A 1 CYS HA . 25452 1 2 . 1 1 1 1 CYS HB2 H 1 3.118 0.020 . 1 . . . A 1 CYS HB2 . 25452 1 3 . 1 1 1 1 CYS HB3 H 1 3.219 0.020 . 1 . . . A 1 CYS HB3 . 25452 1 4 . 1 1 1 1 CYS CA C 13 54.258 0.3 . 1 . . . A 1 CYS CA . 25452 1 5 . 1 1 1 1 CYS CB C 13 41.807 0.3 . 1 . . . A 1 CYS CB . 25452 1 6 . 1 1 2 2 ALA H H 1 9.549 0.020 . 1 . . . A 2 ALA H . 25452 1 7 . 1 1 2 2 ALA HA H 1 4.738 0.020 . 1 . . . A 2 ALA HA . 25452 1 8 . 1 1 2 2 ALA HB1 H 1 1.426 0.020 . 1 . . . A 2 ALA HB1 . 25452 1 9 . 1 1 2 2 ALA HB2 H 1 1.426 0.020 . 1 . . . A 2 ALA HB2 . 25452 1 10 . 1 1 2 2 ALA HB3 H 1 1.426 0.020 . 1 . . . A 2 ALA HB3 . 25452 1 11 . 1 1 2 2 ALA CA C 13 51.709 0.3 . 1 . . . A 2 ALA CA . 25452 1 12 . 1 1 2 2 ALA CB C 13 21.586 0.3 . 1 . . . A 2 ALA CB . 25452 1 13 . 1 1 3 3 SER H H 1 9.174 0.020 . 1 . . . A 3 SER H . 25452 1 14 . 1 1 3 3 SER HA H 1 4.413 0.020 . 1 . . . A 3 SER HA . 25452 1 15 . 1 1 3 3 SER HB2 H 1 3.797 0.020 . 1 . . . A 3 SER HB2 . 25452 1 16 . 1 1 3 3 SER HB3 H 1 3.977 0.020 . 1 . . . A 3 SER HB3 . 25452 1 17 . 1 1 3 3 SER CA C 13 58.103 0.3 . 1 . . . A 3 SER CA . 25452 1 18 . 1 1 3 3 SER CB C 13 64.407 0.3 . 1 . . . A 3 SER CB . 25452 1 19 . 1 1 4 4 LYS H H 1 8.275 0.020 . 1 . . . A 4 LYS H . 25452 1 20 . 1 1 4 4 LYS HA H 1 3.751 0.020 . 1 . . . A 4 LYS HA . 25452 1 21 . 1 1 4 4 LYS HB2 H 1 1.784 0.020 . 2 . . . A 4 LYS HB2 . 25452 1 22 . 1 1 4 4 LYS HB3 H 1 1.681 0.020 . 2 . . . A 4 LYS HB3 . 25452 1 23 . 1 1 4 4 LYS HG2 H 1 1.361 0.020 . 1 . . . A 4 LYS HG2 . 25452 1 24 . 1 1 4 4 LYS HG3 H 1 1.361 0.020 . 1 . . . A 4 LYS HG3 . 25452 1 25 . 1 1 4 4 LYS HD2 H 1 1.697 0.020 . 1 . . . A 4 LYS HD2 . 25452 1 26 . 1 1 4 4 LYS HD3 H 1 1.697 0.020 . 1 . . . A 4 LYS HD3 . 25452 1 27 . 1 1 4 4 LYS HE2 H 1 2.963 0.020 . 1 . . . A 4 LYS HE2 . 25452 1 28 . 1 1 4 4 LYS HE3 H 1 2.963 0.020 . 1 . . . A 4 LYS HE3 . 25452 1 29 . 1 1 4 4 LYS CA C 13 59.020 0.3 . 1 . . . A 4 LYS CA . 25452 1 30 . 1 1 4 4 LYS CG C 13 24.589 0.3 . 1 . . . A 4 LYS CG . 25452 1 31 . 1 1 4 4 LYS CD C 13 29.279 0.3 . 1 . . . A 4 LYS CD . 25452 1 32 . 1 1 4 4 LYS CE C 13 42.161 0.3 . 1 . . . A 4 LYS CE . 25452 1 33 . 1 1 5 5 ASN H H 1 9.046 0.020 . 1 . . . A 5 ASN H . 25452 1 34 . 1 1 5 5 ASN HA H 1 4.366 0.020 . 1 . . . A 5 ASN HA . 25452 1 35 . 1 1 5 5 ASN HB2 H 1 3.154 0.020 . 2 . . . A 5 ASN HB2 . 25452 1 36 . 1 1 5 5 ASN HB3 H 1 3.128 0.020 . 2 . . . A 5 ASN HB3 . 25452 1 37 . 1 1 5 5 ASN HD21 H 1 7.782 0.020 . 2 . . . A 5 ASN HD21 . 25452 1 38 . 1 1 5 5 ASN HD22 H 1 7.066 0.020 . 2 . . . A 5 ASN HD22 . 25452 1 39 . 1 1 5 5 ASN CA C 13 55.761 0.3 . 1 . . . A 5 ASN CA . 25452 1 40 . 1 1 5 5 ASN CB C 13 38.046 0.3 . 1 . . . A 5 ASN CB . 25452 1 41 . 1 1 6 6 GLU H H 1 8.024 0.020 . 1 . . . A 6 GLU H . 25452 1 42 . 1 1 6 6 GLU HA H 1 4.461 0.020 . 1 . . . A 6 GLU HA . 25452 1 43 . 1 1 6 6 GLU HB2 H 1 2.317 0.020 . 1 . . . A 6 GLU HB2 . 25452 1 44 . 1 1 6 6 GLU HB3 H 1 2.093 0.020 . 1 . . . A 6 GLU HB3 . 25452 1 45 . 1 1 6 6 GLU HG2 H 1 2.241 0.020 . 2 . . . A 6 GLU HG2 . 25452 1 46 . 1 1 6 6 GLU HG3 H 1 2.199 0.020 . 2 . . . A 6 GLU HG3 . 25452 1 47 . 1 1 6 6 GLU CA C 13 55.983 0.3 . 1 . . . A 6 GLU CA . 25452 1 48 . 1 1 6 6 GLU CB C 13 31.173 0.3 . 1 . . . A 6 GLU CB . 25452 1 49 . 1 1 6 6 GLU CG C 13 37.551 0.3 . 1 . . . A 6 GLU CG . 25452 1 50 . 1 1 7 7 ARG H H 1 8.466 0.020 . 1 . . . A 7 ARG H . 25452 1 51 . 1 1 7 7 ARG HA H 1 4.641 0.020 . 1 . . . A 7 ARG HA . 25452 1 52 . 1 1 7 7 ARG HB2 H 1 1.841 0.020 . 2 . . . A 7 ARG HB2 . 25452 1 53 . 1 1 7 7 ARG HB3 H 1 1.802 0.020 . 2 . . . A 7 ARG HB3 . 25452 1 54 . 1 1 7 7 ARG HG2 H 1 1.802 0.020 . 2 . . . A 7 ARG HG2 . 25452 1 55 . 1 1 7 7 ARG HG3 H 1 1.634 0.020 . 2 . . . A 7 ARG HG3 . 25452 1 56 . 1 1 7 7 ARG HD2 H 1 3.287 0.020 . 1 . . . A 7 ARG HD2 . 25452 1 57 . 1 1 7 7 ARG HD3 H 1 3.287 0.020 . 1 . . . A 7 ARG HD3 . 25452 1 58 . 1 1 7 7 ARG HE H 1 7.350 0.020 . 1 . . . A 7 ARG HE . 25452 1 59 . 1 1 7 7 ARG CA C 13 57.262 0.3 . 1 . . . A 7 ARG CA . 25452 1 60 . 1 1 7 7 ARG CB C 13 30.703 0.3 . 1 . . . A 7 ARG CB . 25452 1 61 . 1 1 7 7 ARG CG C 13 28.058 0.3 . 1 . . . A 7 ARG CG . 25452 1 62 . 1 1 7 7 ARG CD C 13 43.583 0.3 . 1 . . . A 7 ARG CD . 25452 1 63 . 1 1 8 8 CYS H H 1 7.408 0.020 . 1 . . . A 8 CYS H . 25452 1 64 . 1 1 8 8 CYS HA H 1 5.089 0.020 . 1 . . . A 8 CYS HA . 25452 1 65 . 1 1 8 8 CYS HB2 H 1 3.284 0.020 . 2 . . . A 8 CYS HB2 . 25452 1 66 . 1 1 8 8 CYS HB3 H 1 3.028 0.020 . 2 . . . A 8 CYS HB3 . 25452 1 67 . 1 1 8 8 CYS CA C 13 52.465 0.3 . 1 . . . A 8 CYS CA . 25452 1 68 . 1 1 8 8 CYS CB C 13 48.107 0.3 . 1 . . . A 8 CYS CB . 25452 1 69 . 1 1 9 9 GLY H H 1 8.194 0.020 . 1 . . . A 9 GLY H . 25452 1 70 . 1 1 9 9 GLY HA2 H 1 3.885 0.020 . 1 . . . A 9 GLY HA2 . 25452 1 71 . 1 1 9 9 GLY HA3 H 1 3.194 0.020 . 1 . . . A 9 GLY HA3 . 25452 1 72 . 1 1 9 9 GLY CA C 13 43.986 0.3 . 1 . . . A 9 GLY CA . 25452 1 73 . 1 1 10 10 ASN H H 1 8.083 0.020 . 1 . . . A 10 ASN H . 25452 1 74 . 1 1 10 10 ASN HA H 1 4.715 0.020 . 1 . . . A 10 ASN HA . 25452 1 75 . 1 1 10 10 ASN HB2 H 1 2.209 0.020 . 1 . . . A 10 ASN HB2 . 25452 1 76 . 1 1 10 10 ASN HB3 H 1 3.087 0.020 . 1 . . . A 10 ASN HB3 . 25452 1 77 . 1 1 10 10 ASN HD21 H 1 7.025 0.020 . 1 . . . A 10 ASN HD21 . 25452 1 78 . 1 1 10 10 ASN HD22 H 1 7.428 0.020 . 1 . . . A 10 ASN HD22 . 25452 1 79 . 1 1 10 10 ASN CA C 13 52.895 0.3 . 1 . . . A 10 ASN CA . 25452 1 80 . 1 1 10 10 ASN CB C 13 42.114 0.3 . 1 . . . A 10 ASN CB . 25452 1 81 . 1 1 11 11 ALA H H 1 9.249 0.020 . 1 . . . A 11 ALA H . 25452 1 82 . 1 1 11 11 ALA HA H 1 4.194 0.020 . 1 . . . A 11 ALA HA . 25452 1 83 . 1 1 11 11 ALA HB1 H 1 1.506 0.020 . 1 . . . A 11 ALA HB1 . 25452 1 84 . 1 1 11 11 ALA HB2 H 1 1.506 0.020 . 1 . . . A 11 ALA HB2 . 25452 1 85 . 1 1 11 11 ALA HB3 H 1 1.506 0.020 . 1 . . . A 11 ALA HB3 . 25452 1 86 . 1 1 11 11 ALA CA C 13 55.288 0.3 . 1 . . . A 11 ALA CA . 25452 1 87 . 1 1 11 11 ALA CB C 13 18.639 0.3 . 1 . . . A 11 ALA CB . 25452 1 88 . 1 1 12 12 LEU H H 1 8.145 0.020 . 1 . . . A 12 LEU H . 25452 1 89 . 1 1 12 12 LEU HA H 1 4.092 0.020 . 1 . . . A 12 LEU HA . 25452 1 90 . 1 1 12 12 LEU HB2 H 1 1.646 0.020 . 2 . . . A 12 LEU HB2 . 25452 1 91 . 1 1 12 12 LEU HB3 H 1 1.389 0.020 . 2 . . . A 12 LEU HB3 . 25452 1 92 . 1 1 12 12 LEU HG H 1 1.431 0.020 . 1 . . . A 12 LEU HG . 25452 1 93 . 1 1 12 12 LEU HD11 H 1 0.922 0.020 . 2 . . . A 12 LEU HD11 . 25452 1 94 . 1 1 12 12 LEU HD12 H 1 0.922 0.020 . 2 . . . A 12 LEU HD12 . 25452 1 95 . 1 1 12 12 LEU HD13 H 1 0.922 0.020 . 2 . . . A 12 LEU HD13 . 25452 1 96 . 1 1 12 12 LEU HD21 H 1 0.820 0.020 . 2 . . . A 12 LEU HD21 . 25452 1 97 . 1 1 12 12 LEU HD22 H 1 0.820 0.020 . 2 . . . A 12 LEU HD22 . 25452 1 98 . 1 1 12 12 LEU HD23 H 1 0.820 0.020 . 2 . . . A 12 LEU HD23 . 25452 1 99 . 1 1 12 12 LEU CA C 13 57.320 0.3 . 1 . . . A 12 LEU CA . 25452 1 100 . 1 1 12 12 LEU CB C 13 41.383 0.3 . 1 . . . A 12 LEU CB . 25452 1 101 . 1 1 12 12 LEU CG C 13 27.204 0.3 . 1 . . . A 12 LEU CG . 25452 1 102 . 1 1 12 12 LEU CD1 C 13 24.476 0.3 . 1 . . . A 12 LEU CD1 . 25452 1 103 . 1 1 12 12 LEU CD2 C 13 23.724 0.3 . 1 . . . A 12 LEU CD2 . 25452 1 104 . 1 1 13 13 TYR H H 1 7.616 0.020 . 1 . . . A 13 TYR H . 25452 1 105 . 1 1 13 13 TYR HA H 1 4.515 0.020 . 1 . . . A 13 TYR HA . 25452 1 106 . 1 1 13 13 TYR HB2 H 1 2.625 0.020 . 1 . . . A 13 TYR HB2 . 25452 1 107 . 1 1 13 13 TYR HB3 H 1 3.288 0.020 . 1 . . . A 13 TYR HB3 . 25452 1 108 . 1 1 13 13 TYR HD1 H 1 6.933 0.020 . 1 . . . A 13 TYR HD1 . 25452 1 109 . 1 1 13 13 TYR HD2 H 1 6.933 0.020 . 1 . . . A 13 TYR HD2 . 25452 1 110 . 1 1 13 13 TYR HE1 H 1 6.777 0.020 . 1 . . . A 13 TYR HE1 . 25452 1 111 . 1 1 13 13 TYR HE2 H 1 6.777 0.020 . 1 . . . A 13 TYR HE2 . 25452 1 112 . 1 1 13 13 TYR CA C 13 57.712 0.3 . 1 . . . A 13 TYR CA . 25452 1 113 . 1 1 13 13 TYR CB C 13 39.718 0.3 . 1 . . . A 13 TYR CB . 25452 1 114 . 1 1 13 13 TYR CD1 C 13 130.229 0.3 . 1 . . . A 13 TYR CD1 . 25452 1 115 . 1 1 13 13 TYR CD2 C 13 130.229 0.3 . 1 . . . A 13 TYR CD2 . 25452 1 116 . 1 1 13 13 TYR CE1 C 13 115.123 0.3 . 1 . . . A 13 TYR CE1 . 25452 1 117 . 1 1 13 13 TYR CE2 C 13 115.123 0.3 . 1 . . . A 13 TYR CE2 . 25452 1 118 . 1 1 14 14 GLY H H 1 7.825 0.020 . 1 . . . A 14 GLY H . 25452 1 119 . 1 1 14 14 GLY HA2 H 1 3.959 0.020 . 1 . . . A 14 GLY HA2 . 25452 1 120 . 1 1 14 14 GLY HA3 H 1 4.077 0.020 . 1 . . . A 14 GLY HA3 . 25452 1 121 . 1 1 14 14 GLY CA C 13 46.708 0.3 . 1 . . . A 14 GLY CA . 25452 1 122 . 1 1 15 15 THR H H 1 7.618 0.020 . 1 . . . A 15 THR H . 25452 1 123 . 1 1 15 15 THR HA H 1 4.690 0.020 . 1 . . . A 15 THR HA . 25452 1 124 . 1 1 15 15 THR HB H 1 4.427 0.020 . 1 . . . A 15 THR HB . 25452 1 125 . 1 1 15 15 THR HG21 H 1 1.278 0.020 . 1 . . . A 15 THR HG21 . 25452 1 126 . 1 1 15 15 THR HG22 H 1 1.278 0.020 . 1 . . . A 15 THR HG22 . 25452 1 127 . 1 1 15 15 THR HG23 H 1 1.278 0.020 . 1 . . . A 15 THR HG23 . 25452 1 128 . 1 1 15 15 THR CA C 13 60.074 0.3 . 1 . . . A 15 THR CA . 25452 1 129 . 1 1 15 15 THR CB C 13 71.665 0.3 . 1 . . . A 15 THR CB . 25452 1 130 . 1 1 15 15 THR CG2 C 13 23.070 0.3 . 1 . . . A 15 THR CG2 . 25452 1 131 . 1 1 16 16 LYS H H 1 8.873 0.020 . 1 . . . A 16 LYS H . 25452 1 132 . 1 1 16 16 LYS HA H 1 4.556 0.020 . 1 . . . A 16 LYS HA . 25452 1 133 . 1 1 16 16 LYS HB2 H 1 1.819 0.020 . 2 . . . A 16 LYS HB2 . 25452 1 134 . 1 1 16 16 LYS HB3 H 1 1.728 0.020 . 2 . . . A 16 LYS HB3 . 25452 1 135 . 1 1 16 16 LYS HG2 H 1 1.479 0.020 . 2 . . . A 16 LYS HG2 . 25452 1 136 . 1 1 16 16 LYS HG3 H 1 1.382 0.020 . 2 . . . A 16 LYS HG3 . 25452 1 137 . 1 1 16 16 LYS HD2 H 1 1.663 0.020 . 1 . . . A 16 LYS HD2 . 25452 1 138 . 1 1 16 16 LYS HD3 H 1 1.663 0.020 . 1 . . . A 16 LYS HD3 . 25452 1 139 . 1 1 16 16 LYS HE2 H 1 2.984 0.020 . 1 . . . A 16 LYS HE2 . 25452 1 140 . 1 1 16 16 LYS HE3 H 1 2.984 0.020 . 1 . . . A 16 LYS HE3 . 25452 1 141 . 1 1 16 16 LYS CA C 13 54.782 0.3 . 1 . . . A 16 LYS CA . 25452 1 142 . 1 1 16 16 LYS CB C 13 34.305 0.3 . 1 . . . A 16 LYS CB . 25452 1 143 . 1 1 16 16 LYS CG C 13 25.125 0.3 . 1 . . . A 16 LYS CG . 25452 1 144 . 1 1 16 16 LYS CD C 13 29.165 0.3 . 1 . . . A 16 LYS CD . 25452 1 145 . 1 1 16 16 LYS CE C 13 42.259 0.3 . 1 . . . A 16 LYS CE . 25452 1 146 . 1 1 17 17 GLY H H 1 8.283 0.020 . 1 . . . A 17 GLY H . 25452 1 147 . 1 1 17 17 GLY HA2 H 1 3.856 0.020 . 1 . . . A 17 GLY HA2 . 25452 1 148 . 1 1 17 17 GLY HA3 H 1 4.108 0.020 . 1 . . . A 17 GLY HA3 . 25452 1 149 . 1 1 17 17 GLY CA C 13 44.600 0.3 . 1 . . . A 17 GLY CA . 25452 1 150 . 1 1 18 18 PRO HA H 1 4.579 0.020 . 1 . . . A 18 PRO HA . 25452 1 151 . 1 1 18 18 PRO HB2 H 1 2.038 0.020 . 1 . . . A 18 PRO HB2 . 25452 1 152 . 1 1 18 18 PRO HB3 H 1 2.367 0.020 . 1 . . . A 18 PRO HB3 . 25452 1 153 . 1 1 18 18 PRO HG2 H 1 2.119 0.020 . 1 . . . A 18 PRO HG2 . 25452 1 154 . 1 1 18 18 PRO HG3 H 1 2.033 0.020 . 1 . . . A 18 PRO HG3 . 25452 1 155 . 1 1 18 18 PRO HD2 H 1 3.343 0.020 . 1 . . . A 18 PRO HD2 . 25452 1 156 . 1 1 18 18 PRO HD3 H 1 3.524 0.020 . 1 . . . A 18 PRO HD3 . 25452 1 157 . 1 1 18 18 PRO CA C 13 62.799 0.3 . 1 . . . A 18 PRO CA . 25452 1 158 . 1 1 18 18 PRO CB C 13 33.234 0.3 . 1 . . . A 18 PRO CB . 25452 1 159 . 1 1 18 18 PRO CG C 13 27.308 0.3 . 1 . . . A 18 PRO CG . 25452 1 160 . 1 1 18 18 PRO CD C 13 49.768 0.3 . 1 . . . A 18 PRO CD . 25452 1 161 . 1 1 19 19 GLY H H 1 8.535 0.020 . 1 . . . A 19 GLY H . 25452 1 162 . 1 1 19 19 GLY HA2 H 1 4.504 0.020 . 1 . . . A 19 GLY HA2 . 25452 1 163 . 1 1 19 19 GLY HA3 H 1 3.726 0.020 . 1 . . . A 19 GLY HA3 . 25452 1 164 . 1 1 19 19 GLY CA C 13 43.985 0.3 . 1 . . . A 19 GLY CA . 25452 1 165 . 1 1 20 20 CYS H H 1 9.178 0.020 . 1 . . . A 20 CYS H . 25452 1 166 . 1 1 20 20 CYS HA H 1 4.982 0.020 . 1 . . . A 20 CYS HA . 25452 1 167 . 1 1 20 20 CYS HB2 H 1 2.512 0.020 . 1 . . . A 20 CYS HB2 . 25452 1 168 . 1 1 20 20 CYS HB3 H 1 3.221 0.020 . 1 . . . A 20 CYS HB3 . 25452 1 169 . 1 1 20 20 CYS CA C 13 55.904 0.3 . 1 . . . A 20 CYS CA . 25452 1 170 . 1 1 20 20 CYS CB C 13 39.643 0.3 . 1 . . . A 20 CYS CB . 25452 1 171 . 1 1 21 21 CYS H H 1 9.959 0.020 . 1 . . . A 21 CYS H . 25452 1 172 . 1 1 21 21 CYS HA H 1 4.434 0.020 . 1 . . . A 21 CYS HA . 25452 1 173 . 1 1 21 21 CYS HB2 H 1 2.771 0.020 . 1 . . . A 21 CYS HB2 . 25452 1 174 . 1 1 21 21 CYS HB3 H 1 3.242 0.020 . 1 . . . A 21 CYS HB3 . 25452 1 175 . 1 1 21 21 CYS CA C 13 56.857 0.3 . 1 . . . A 21 CYS CA . 25452 1 176 . 1 1 21 21 CYS CB C 13 39.151 0.3 . 1 . . . A 21 CYS CB . 25452 1 177 . 1 1 22 22 ASN H H 1 8.699 0.020 . 1 . . . A 22 ASN H . 25452 1 178 . 1 1 22 22 ASN HA H 1 4.831 0.020 . 1 . . . A 22 ASN HA . 25452 1 179 . 1 1 22 22 ASN HB2 H 1 2.696 0.020 . 2 . . . A 22 ASN HB2 . 25452 1 180 . 1 1 22 22 ASN HB3 H 1 2.646 0.020 . 2 . . . A 22 ASN HB3 . 25452 1 181 . 1 1 22 22 ASN HD21 H 1 7.719 0.020 . 1 . . . A 22 ASN HD21 . 25452 1 182 . 1 1 22 22 ASN HD22 H 1 6.895 0.020 . 1 . . . A 22 ASN HD22 . 25452 1 183 . 1 1 22 22 ASN CA C 13 52.786 0.3 . 1 . . . A 22 ASN CA . 25452 1 184 . 1 1 22 22 ASN CB C 13 41.225 0.3 . 1 . . . A 22 ASN CB . 25452 1 185 . 1 1 23 23 GLY H H 1 8.394 0.020 . 1 . . . A 23 GLY H . 25452 1 186 . 1 1 23 23 GLY HA2 H 1 3.865 0.020 . 1 . . . A 23 GLY HA2 . 25452 1 187 . 1 1 23 23 GLY HA3 H 1 4.080 0.020 . 1 . . . A 23 GLY HA3 . 25452 1 188 . 1 1 23 23 GLY CA C 13 45.394 0.3 . 1 . . . A 23 GLY CA . 25452 1 189 . 1 1 24 24 LYS H H 1 8.189 0.020 . 1 . . . A 24 LYS H . 25452 1 190 . 1 1 24 24 LYS HA H 1 4.488 0.020 . 1 . . . A 24 LYS HA . 25452 1 191 . 1 1 24 24 LYS HB2 H 1 1.710 0.020 . 2 . . . A 24 LYS HB2 . 25452 1 192 . 1 1 24 24 LYS HB3 H 1 1.620 0.020 . 2 . . . A 24 LYS HB3 . 25452 1 193 . 1 1 24 24 LYS HG2 H 1 1.456 0.020 . 2 . . . A 24 LYS HG2 . 25452 1 194 . 1 1 24 24 LYS HG3 H 1 1.372 0.020 . 2 . . . A 24 LYS HG3 . 25452 1 195 . 1 1 24 24 LYS HD2 H 1 1.710 0.020 . 1 . . . A 24 LYS HD2 . 25452 1 196 . 1 1 24 24 LYS HD3 H 1 1.710 0.020 . 1 . . . A 24 LYS HD3 . 25452 1 197 . 1 1 24 24 LYS HE2 H 1 2.987 0.020 . 1 . . . A 24 LYS HE2 . 25452 1 198 . 1 1 24 24 LYS HE3 H 1 2.987 0.020 . 1 . . . A 24 LYS HE3 . 25452 1 199 . 1 1 24 24 LYS CA C 13 55.015 0.3 . 1 . . . A 24 LYS CA . 25452 1 200 . 1 1 24 24 LYS CB C 13 35.233 0.3 . 1 . . . A 24 LYS CB . 25452 1 201 . 1 1 24 24 LYS CG C 13 25.077 0.3 . 1 . . . A 24 LYS CG . 25452 1 202 . 1 1 24 24 LYS CD C 13 29.122 0.3 . 1 . . . A 24 LYS CD . 25452 1 203 . 1 1 24 24 LYS CE C 13 42.287 0.3 . 1 . . . A 24 LYS CE . 25452 1 204 . 1 1 25 25 CYS H H 1 8.928 0.020 . 1 . . . A 25 CYS H . 25452 1 205 . 1 1 25 25 CYS HA H 1 4.701 0.020 . 1 . . . A 25 CYS HA . 25452 1 206 . 1 1 25 25 CYS HB2 H 1 3.169 0.020 . 2 . . . A 25 CYS HB2 . 25452 1 207 . 1 1 25 25 CYS HB3 H 1 2.910 0.020 . 2 . . . A 25 CYS HB3 . 25452 1 208 . 1 1 25 25 CYS CA C 13 55.336 0.3 . 1 . . . A 25 CYS CA . 25452 1 209 . 1 1 25 25 CYS CB C 13 38.089 0.3 . 1 . . . A 25 CYS CB . 25452 1 210 . 1 1 26 26 ILE H H 1 8.272 0.020 . 1 . . . A 26 ILE H . 25452 1 211 . 1 1 26 26 ILE HA H 1 4.249 0.020 . 1 . . . A 26 ILE HA . 25452 1 212 . 1 1 26 26 ILE HB H 1 2.018 0.020 . 1 . . . A 26 ILE HB . 25452 1 213 . 1 1 26 26 ILE HG12 H 1 1.481 0.020 . 2 . . . A 26 ILE HG12 . 25452 1 214 . 1 1 26 26 ILE HG13 H 1 1.326 0.020 . 2 . . . A 26 ILE HG13 . 25452 1 215 . 1 1 26 26 ILE HG21 H 1 0.864 0.020 . 1 . . . A 26 ILE HG21 . 25452 1 216 . 1 1 26 26 ILE HG22 H 1 0.864 0.020 . 1 . . . A 26 ILE HG22 . 25452 1 217 . 1 1 26 26 ILE HG23 H 1 0.864 0.020 . 1 . . . A 26 ILE HG23 . 25452 1 218 . 1 1 26 26 ILE HD11 H 1 0.783 0.020 . 1 . . . A 26 ILE HD11 . 25452 1 219 . 1 1 26 26 ILE HD12 H 1 0.783 0.020 . 1 . . . A 26 ILE HD12 . 25452 1 220 . 1 1 26 26 ILE HD13 H 1 0.783 0.020 . 1 . . . A 26 ILE HD13 . 25452 1 221 . 1 1 26 26 ILE CA C 13 60.017 0.3 . 1 . . . A 26 ILE CA . 25452 1 222 . 1 1 26 26 ILE CB C 13 38.295 0.3 . 1 . . . A 26 ILE CB . 25452 1 223 . 1 1 26 26 ILE CG1 C 13 26.967 0.3 . 1 . . . A 26 ILE CG1 . 25452 1 224 . 1 1 26 26 ILE CG2 C 13 17.262 0.3 . 1 . . . A 26 ILE CG2 . 25452 1 225 . 1 1 26 26 ILE CD1 C 13 11.790 0.3 . 1 . . . A 26 ILE CD1 . 25452 1 226 . 1 1 27 27 CYS H H 1 8.782 0.020 . 1 . . . A 27 CYS H . 25452 1 227 . 1 1 27 27 CYS HA H 1 5.292 0.020 . 1 . . . A 27 CYS HA . 25452 1 228 . 1 1 27 27 CYS HB2 H 1 2.139 0.020 . 2 . . . A 27 CYS HB2 . 25452 1 229 . 1 1 27 27 CYS HB3 H 1 1.505 0.020 . 2 . . . A 27 CYS HB3 . 25452 1 230 . 1 1 27 27 CYS CA C 13 54.607 0.3 . 1 . . . A 27 CYS CA . 25452 1 231 . 1 1 27 27 CYS CB C 13 46.328 0.3 . 1 . . . A 27 CYS CB . 25452 1 232 . 1 1 28 28 ARG H H 1 8.644 0.020 . 1 . . . A 28 ARG H . 25452 1 233 . 1 1 28 28 ARG HA H 1 4.566 0.020 . 1 . . . A 28 ARG HA . 25452 1 234 . 1 1 28 28 ARG HB2 H 1 1.867 0.020 . 2 . . . A 28 ARG HB2 . 25452 1 235 . 1 1 28 28 ARG HB3 H 1 1.807 0.020 . 2 . . . A 28 ARG HB3 . 25452 1 236 . 1 1 28 28 ARG HG2 H 1 1.672 0.020 . 2 . . . A 28 ARG HG2 . 25452 1 237 . 1 1 28 28 ARG HG3 H 1 1.591 0.020 . 2 . . . A 28 ARG HG3 . 25452 1 238 . 1 1 28 28 ARG HD2 H 1 3.202 0.020 . 1 . . . A 28 ARG HD2 . 25452 1 239 . 1 1 28 28 ARG HD3 H 1 3.202 0.020 . 1 . . . A 28 ARG HD3 . 25452 1 240 . 1 1 28 28 ARG HE H 1 7.284 0.020 . 1 . . . A 28 ARG HE . 25452 1 241 . 1 1 28 28 ARG CA C 13 55.129 0.3 . 1 . . . A 28 ARG CA . 25452 1 242 . 1 1 28 28 ARG CB C 13 32.925 0.3 . 1 . . . A 28 ARG CB . 25452 1 243 . 1 1 28 28 ARG CG C 13 27.169 0.3 . 1 . . . A 28 ARG CG . 25452 1 244 . 1 1 28 28 ARG CD C 13 43.481 0.3 . 1 . . . A 28 ARG CD . 25452 1 245 . 1 1 29 29 THR H H 1 8.551 0.020 . 1 . . . A 29 THR H . 25452 1 246 . 1 1 29 29 THR HA H 1 4.573 0.020 . 1 . . . A 29 THR HA . 25452 1 247 . 1 1 29 29 THR HB H 1 4.082 0.020 . 1 . . . A 29 THR HB . 25452 1 248 . 1 1 29 29 THR HG21 H 1 1.184 0.020 . 1 . . . A 29 THR HG21 . 25452 1 249 . 1 1 29 29 THR HG22 H 1 1.184 0.020 . 1 . . . A 29 THR HG22 . 25452 1 250 . 1 1 29 29 THR HG23 H 1 1.184 0.020 . 1 . . . A 29 THR HG23 . 25452 1 251 . 1 1 29 29 THR CA C 13 62.315 0.3 . 1 . . . A 29 THR CA . 25452 1 252 . 1 1 29 29 THR CB C 13 69.965 0.3 . 1 . . . A 29 THR CB . 25452 1 253 . 1 1 29 29 THR CG2 C 13 22.022 0.3 . 1 . . . A 29 THR CG2 . 25452 1 254 . 1 1 30 30 VAL H H 1 8.578 0.020 . 1 . . . A 30 VAL H . 25452 1 255 . 1 1 30 30 VAL HA H 1 4.444 0.020 . 1 . . . A 30 VAL HA . 25452 1 256 . 1 1 30 30 VAL HB H 1 2.103 0.020 . 1 . . . A 30 VAL HB . 25452 1 257 . 1 1 30 30 VAL HG11 H 1 0.994 0.020 . 2 . . . A 30 VAL HG11 . 25452 1 258 . 1 1 30 30 VAL HG12 H 1 0.994 0.020 . 2 . . . A 30 VAL HG12 . 25452 1 259 . 1 1 30 30 VAL HG13 H 1 0.994 0.020 . 2 . . . A 30 VAL HG13 . 25452 1 260 . 1 1 30 30 VAL HG21 H 1 0.952 0.020 . 2 . . . A 30 VAL HG21 . 25452 1 261 . 1 1 30 30 VAL HG22 H 1 0.952 0.020 . 2 . . . A 30 VAL HG22 . 25452 1 262 . 1 1 30 30 VAL HG23 H 1 0.952 0.020 . 2 . . . A 30 VAL HG23 . 25452 1 263 . 1 1 30 30 VAL CA C 13 60.186 0.3 . 1 . . . A 30 VAL CA . 25452 1 264 . 1 1 30 30 VAL CB C 13 32.749 0.3 . 1 . . . A 30 VAL CB . 25452 1 265 . 1 1 30 30 VAL CG1 C 13 21.426 0.3 . 1 . . . A 30 VAL CG1 . 25452 1 266 . 1 1 30 30 VAL CG2 C 13 20.968 0.3 . 1 . . . A 30 VAL CG2 . 25452 1 267 . 1 1 31 31 PRO HA H 1 4.351 0.020 . 1 . . . A 31 PRO HA . 25452 1 268 . 1 1 31 31 PRO HB2 H 1 1.932 0.020 . 1 . . . A 31 PRO HB2 . 25452 1 269 . 1 1 31 31 PRO HB3 H 1 2.335 0.020 . 1 . . . A 31 PRO HB3 . 25452 1 270 . 1 1 31 31 PRO HG2 H 1 2.106 0.020 . 1 . . . A 31 PRO HG2 . 25452 1 271 . 1 1 31 31 PRO HG3 H 1 2.017 0.020 . 1 . . . A 31 PRO HG3 . 25452 1 272 . 1 1 31 31 PRO HD2 H 1 3.745 0.020 . 1 . . . A 31 PRO HD2 . 25452 1 273 . 1 1 31 31 PRO HD3 H 1 3.976 0.020 . 1 . . . A 31 PRO HD3 . 25452 1 274 . 1 1 31 31 PRO CA C 13 64.468 0.3 . 1 . . . A 31 PRO CA . 25452 1 275 . 1 1 31 31 PRO CB C 13 32.294 0.3 . 1 . . . A 31 PRO CB . 25452 1 276 . 1 1 31 31 PRO CG C 13 27.792 0.3 . 1 . . . A 31 PRO CG . 25452 1 277 . 1 1 31 31 PRO CD C 13 51.388 0.3 . 1 . . . A 31 PRO CD . 25452 1 278 . 1 1 32 32 ARG H H 1 8.658 0.020 . 1 . . . A 32 ARG H . 25452 1 279 . 1 1 32 32 ARG HA H 1 4.135 0.020 . 1 . . . A 32 ARG HA . 25452 1 280 . 1 1 32 32 ARG HB2 H 1 2.011 0.020 . 2 . . . A 32 ARG HB2 . 25452 1 281 . 1 1 32 32 ARG HB3 H 1 1.928 0.020 . 2 . . . A 32 ARG HB3 . 25452 1 282 . 1 1 32 32 ARG HG2 H 1 1.623 0.020 . 1 . . . A 32 ARG HG2 . 25452 1 283 . 1 1 32 32 ARG HG3 H 1 1.623 0.020 . 1 . . . A 32 ARG HG3 . 25452 1 284 . 1 1 32 32 ARG HD2 H 1 3.232 0.020 . 1 . . . A 32 ARG HD2 . 25452 1 285 . 1 1 32 32 ARG HD3 H 1 3.232 0.020 . 1 . . . A 32 ARG HD3 . 25452 1 286 . 1 1 32 32 ARG HE H 1 7.329 0.020 . 1 . . . A 32 ARG HE . 25452 1 287 . 1 1 32 32 ARG CA C 13 57.993 0.3 . 1 . . . A 32 ARG CA . 25452 1 288 . 1 1 32 32 ARG CB C 13 29.785 0.3 . 1 . . . A 32 ARG CB . 25452 1 289 . 1 1 32 32 ARG CG C 13 27.823 0.3 . 1 . . . A 32 ARG CG . 25452 1 290 . 1 1 32 32 ARG CD C 13 43.280 0.3 . 1 . . . A 32 ARG CD . 25452 1 291 . 1 1 33 33 LYS H H 1 8.200 0.020 . 1 . . . A 33 LYS H . 25452 1 292 . 1 1 33 33 LYS HA H 1 4.395 0.020 . 1 . . . A 33 LYS HA . 25452 1 293 . 1 1 33 33 LYS HB2 H 1 1.952 0.020 . 2 . . . A 33 LYS HB2 . 25452 1 294 . 1 1 33 33 LYS HB3 H 1 1.731 0.020 . 2 . . . A 33 LYS HB3 . 25452 1 295 . 1 1 33 33 LYS HG2 H 1 1.505 0.020 . 2 . . . A 33 LYS HG2 . 25452 1 296 . 1 1 33 33 LYS HG3 H 1 1.435 0.020 . 2 . . . A 33 LYS HG3 . 25452 1 297 . 1 1 33 33 LYS HD2 H 1 1.676 0.020 . 1 . . . A 33 LYS HD2 . 25452 1 298 . 1 1 33 33 LYS HD3 H 1 1.676 0.020 . 1 . . . A 33 LYS HD3 . 25452 1 299 . 1 1 33 33 LYS HE2 H 1 2.985 0.020 . 1 . . . A 33 LYS HE2 . 25452 1 300 . 1 1 33 33 LYS HE3 H 1 2.985 0.020 . 1 . . . A 33 LYS HE3 . 25452 1 301 . 1 1 33 33 LYS CA C 13 56.622 0.3 . 1 . . . A 33 LYS CA . 25452 1 302 . 1 1 33 33 LYS CB C 13 33.815 0.3 . 1 . . . A 33 LYS CB . 25452 1 303 . 1 1 33 33 LYS CG C 13 25.310 0.3 . 1 . . . A 33 LYS CG . 25452 1 304 . 1 1 33 33 LYS CD C 13 29.641 0.3 . 1 . . . A 33 LYS CD . 25452 1 305 . 1 1 33 33 LYS CE C 13 42.273 0.3 . 1 . . . A 33 LYS CE . 25452 1 306 . 1 1 34 34 GLY H H 1 8.501 0.020 . 1 . . . A 34 GLY H . 25452 1 307 . 1 1 34 34 GLY HA2 H 1 4.011 0.020 . 2 . . . A 34 GLY HA2 . 25452 1 308 . 1 1 34 34 GLY HA3 H 1 3.861 0.020 . 2 . . . A 34 GLY HA3 . 25452 1 309 . 1 1 34 34 GLY CA C 13 46.119 0.3 . 1 . . . A 34 GLY CA . 25452 1 310 . 1 1 35 35 VAL H H 1 7.317 0.020 . 1 . . . A 35 VAL H . 25452 1 311 . 1 1 35 35 VAL HA H 1 4.417 0.020 . 1 . . . A 35 VAL HA . 25452 1 312 . 1 1 35 35 VAL HB H 1 2.129 0.020 . 1 . . . A 35 VAL HB . 25452 1 313 . 1 1 35 35 VAL HG11 H 1 0.945 0.020 . 2 . . . A 35 VAL HG11 . 25452 1 314 . 1 1 35 35 VAL HG12 H 1 0.945 0.020 . 2 . . . A 35 VAL HG12 . 25452 1 315 . 1 1 35 35 VAL HG13 H 1 0.945 0.020 . 2 . . . A 35 VAL HG13 . 25452 1 316 . 1 1 35 35 VAL HG21 H 1 0.851 0.020 . 2 . . . A 35 VAL HG21 . 25452 1 317 . 1 1 35 35 VAL HG22 H 1 0.851 0.020 . 2 . . . A 35 VAL HG22 . 25452 1 318 . 1 1 35 35 VAL HG23 H 1 0.851 0.020 . 2 . . . A 35 VAL HG23 . 25452 1 319 . 1 1 35 35 VAL CA C 13 60.474 0.3 . 1 . . . A 35 VAL CA . 25452 1 320 . 1 1 35 35 VAL CB C 13 34.629 0.3 . 1 . . . A 35 VAL CB . 25452 1 321 . 1 1 35 35 VAL CG1 C 13 21.376 0.3 . 1 . . . A 35 VAL CG1 . 25452 1 322 . 1 1 35 35 VAL CG2 C 13 19.756 0.3 . 1 . . . A 35 VAL CG2 . 25452 1 323 . 1 1 36 36 ASN H H 1 8.789 0.020 . 1 . . . A 36 ASN H . 25452 1 324 . 1 1 36 36 ASN HA H 1 5.145 0.020 . 1 . . . A 36 ASN HA . 25452 1 325 . 1 1 36 36 ASN HB2 H 1 2.739 0.020 . 2 . . . A 36 ASN HB2 . 25452 1 326 . 1 1 36 36 ASN HB3 H 1 2.494 0.020 . 2 . . . A 36 ASN HB3 . 25452 1 327 . 1 1 36 36 ASN HD21 H 1 7.712 0.020 . 2 . . . A 36 ASN HD21 . 25452 1 328 . 1 1 36 36 ASN HD22 H 1 7.166 0.020 . 2 . . . A 36 ASN HD22 . 25452 1 329 . 1 1 36 36 ASN CA C 13 53.013 0.3 . 1 . . . A 36 ASN CA . 25452 1 330 . 1 1 36 36 ASN CB C 13 40.500 0.3 . 1 . . . A 36 ASN CB . 25452 1 331 . 1 1 37 37 SER H H 1 8.774 0.020 . 1 . . . A 37 SER H . 25452 1 332 . 1 1 37 37 SER HA H 1 4.656 0.020 . 1 . . . A 37 SER HA . 25452 1 333 . 1 1 37 37 SER HB2 H 1 3.793 0.020 . 2 . . . A 37 SER HB2 . 25452 1 334 . 1 1 37 37 SER HB3 H 1 3.714 0.020 . 2 . . . A 37 SER HB3 . 25452 1 335 . 1 1 37 37 SER CA C 13 57.429 0.3 . 1 . . . A 37 SER CA . 25452 1 336 . 1 1 37 37 SER CB C 13 64.251 0.3 . 1 . . . A 37 SER CB . 25452 1 337 . 1 1 38 38 CYS H H 1 8.973 0.020 . 1 . . . A 38 CYS H . 25452 1 338 . 1 1 38 38 CYS HA H 1 5.566 0.020 . 1 . . . A 38 CYS HA . 25452 1 339 . 1 1 38 38 CYS HB2 H 1 2.847 0.020 . 1 . . . A 38 CYS HB2 . 25452 1 340 . 1 1 38 38 CYS HB3 H 1 3.501 0.020 . 1 . . . A 38 CYS HB3 . 25452 1 341 . 1 1 38 38 CYS CA C 13 55.624 0.3 . 1 . . . A 38 CYS CA . 25452 1 342 . 1 1 38 38 CYS CB C 13 48.350 0.3 . 1 . . . A 38 CYS CB . 25452 1 343 . 1 1 39 39 ARG H H 1 8.787 0.020 . 1 . . . A 39 ARG H . 25452 1 344 . 1 1 39 39 ARG HA H 1 5.120 0.020 . 1 . . . A 39 ARG HA . 25452 1 345 . 1 1 39 39 ARG HB2 H 1 1.607 0.020 . 2 . . . A 39 ARG HB2 . 25452 1 346 . 1 1 39 39 ARG HB3 H 1 1.362 0.020 . 2 . . . A 39 ARG HB3 . 25452 1 347 . 1 1 39 39 ARG HG2 H 1 1.472 0.020 . 2 . . . A 39 ARG HG2 . 25452 1 348 . 1 1 39 39 ARG HG3 H 1 1.361 0.020 . 2 . . . A 39 ARG HG3 . 25452 1 349 . 1 1 39 39 ARG HD2 H 1 3.104 0.020 . 2 . . . A 39 ARG HD2 . 25452 1 350 . 1 1 39 39 ARG HD3 H 1 2.956 0.020 . 2 . . . A 39 ARG HD3 . 25452 1 351 . 1 1 39 39 ARG HE H 1 7.408 0.020 . 1 . . . A 39 ARG HE . 25452 1 352 . 1 1 39 39 ARG CA C 13 54.635 0.3 . 1 . . . A 39 ARG CA . 25452 1 353 . 1 1 39 39 ARG CB C 13 36.013 0.3 . 1 . . . A 39 ARG CB . 25452 1 354 . 1 1 39 39 ARG CG C 13 28.027 0.3 . 1 . . . A 39 ARG CG . 25452 1 355 . 1 1 39 39 ARG CD C 13 43.359 0.3 . 1 . . . A 39 ARG CD . 25452 1 356 . 1 1 40 40 CYS H H 1 8.580 0.020 . 1 . . . A 40 CYS H . 25452 1 357 . 1 1 40 40 CYS HA H 1 4.925 0.020 . 1 . . . A 40 CYS HA . 25452 1 358 . 1 1 40 40 CYS HB2 H 1 3.130 0.020 . 1 . . . A 40 CYS HB2 . 25452 1 359 . 1 1 40 40 CYS HB3 H 1 3.187 0.020 . 1 . . . A 40 CYS HB3 . 25452 1 360 . 1 1 40 40 CYS CA C 13 56.037 0.3 . 1 . . . A 40 CYS CA . 25452 1 361 . 1 1 40 40 CYS CB C 13 39.651 0.3 . 1 . . . A 40 CYS CB . 25452 1 stop_ save_