################################### # 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 34574 _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 . _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' . . . 34574 1 2 '2D 1H-1H NOESY' . . . 34574 1 3 '2D 1H-13C HSQC aliphatic' . . . 34574 1 4 '2D 1H-15N HSQC' . . . 34574 1 5 '2D 1H-1H COSY' . . . 34574 1 6 '2D 1H-1H NOESY' . . . 34574 1 7 '2D 1H-13C HSQC aliphatic' . . . 34574 1 8 '2D 1H-1H TOCSY' . . . 34574 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 CYS HA H 1 4.647 0.020 . 1 . . . . A 1 CYS HA . 34574 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.309 0.020 . 2 . . . . A 1 CYS HB2 . 34574 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.219 0.020 . 2 . . . . A 1 CYS HB3 . 34574 1 4 . 1 . 1 1 1 CYS CA C 13 53.896 0.400 . 1 . . . . A 1 CYS CA . 34574 1 5 . 1 . 1 1 1 CYS CB C 13 41.052 0.400 . 1 . . . . A 1 CYS CB . 34574 1 6 . 1 . 1 2 2 ILE H H 1 9.273 0.020 . 1 . . . . A 2 ILE H . 34574 1 7 . 1 . 1 2 2 ILE HA H 1 4.196 0.020 . 1 . . . . A 2 ILE HA . 34574 1 8 . 1 . 1 2 2 ILE HB H 1 1.730 0.020 . 1 . . . . A 2 ILE HB . 34574 1 9 . 1 . 1 2 2 ILE HG12 H 1 1.607 0.020 . 2 . . . . A 2 ILE HG12 . 34574 1 10 . 1 . 1 2 2 ILE HG13 H 1 1.160 0.020 . 2 . . . . A 2 ILE HG13 . 34574 1 11 . 1 . 1 2 2 ILE HG21 H 1 1.057 0.020 . 1 . . . . A 2 ILE HG21 . 34574 1 12 . 1 . 1 2 2 ILE HG22 H 1 1.057 0.020 . 1 . . . . A 2 ILE HG22 . 34574 1 13 . 1 . 1 2 2 ILE HG23 H 1 1.057 0.020 . 1 . . . . A 2 ILE HG23 . 34574 1 14 . 1 . 1 2 2 ILE HD11 H 1 0.941 0.020 . 1 . . . . A 2 ILE HD11 . 34574 1 15 . 1 . 1 2 2 ILE HD12 H 1 0.941 0.020 . 1 . . . . A 2 ILE HD12 . 34574 1 16 . 1 . 1 2 2 ILE HD13 H 1 0.941 0.020 . 1 . . . . A 2 ILE HD13 . 34574 1 17 . 1 . 1 2 2 ILE CA C 13 61.055 0.400 . 1 . . . . A 2 ILE CA . 34574 1 18 . 1 . 1 2 2 ILE CB C 13 38.415 0.400 . 1 . . . . A 2 ILE CB . 34574 1 19 . 1 . 1 2 2 ILE CG1 C 13 27.120 0.400 . 1 . . . . A 2 ILE CG1 . 34574 1 20 . 1 . 1 2 2 ILE CG2 C 13 18.789 0.400 . 1 . . . . A 2 ILE CG2 . 34574 1 21 . 1 . 1 2 2 ILE CD1 C 13 12.527 0.400 . 1 . . . . A 2 ILE CD1 . 34574 1 22 . 1 . 1 2 2 ILE N N 15 121.979 0.400 . 1 . . . . A 2 ILE N . 34574 1 23 . 1 . 1 3 3 GLN H H 1 8.715 0.020 . 1 . . . . A 3 GLN H . 34574 1 24 . 1 . 1 3 3 GLN HA H 1 4.047 0.020 . 1 . . . . A 3 GLN HA . 34574 1 25 . 1 . 1 3 3 GLN HB2 H 1 2.245 0.020 . 2 . . . . A 3 GLN HB2 . 34574 1 26 . 1 . 1 3 3 GLN HB3 H 1 1.841 0.020 . 2 . . . . A 3 GLN HB3 . 34574 1 27 . 1 . 1 3 3 GLN HG2 H 1 2.526 0.020 . 2 . . . . A 3 GLN HG2 . 34574 1 28 . 1 . 1 3 3 GLN HG3 H 1 2.526 0.020 . 2 . . . . A 3 GLN HG3 . 34574 1 29 . 1 . 1 3 3 GLN HE21 H 1 7.618 0.020 . 2 . . . . A 3 GLN HE21 . 34574 1 30 . 1 . 1 3 3 GLN HE22 H 1 6.912 0.020 . 2 . . . . A 3 GLN HE22 . 34574 1 31 . 1 . 1 3 3 GLN CA C 13 55.541 0.400 . 1 . . . . A 3 GLN CA . 34574 1 32 . 1 . 1 3 3 GLN CB C 13 29.483 0.400 . 1 . . . . A 3 GLN CB . 34574 1 33 . 1 . 1 3 3 GLN CG C 13 33.623 0.400 . 1 . . . . A 3 GLN CG . 34574 1 34 . 1 . 1 3 3 GLN N N 15 127.955 0.400 . 1 . . . . A 3 GLN N . 34574 1 35 . 1 . 1 3 3 GLN NE2 N 15 113.019 0.400 . 1 . . . . A 3 GLN NE2 . 34574 1 36 . 1 . 1 4 4 ARG H H 1 8.143 0.020 . 1 . . . . A 4 ARG H . 34574 1 37 . 1 . 1 4 4 ARG HA H 1 3.709 0.020 . 1 . . . . A 4 ARG HA . 34574 1 38 . 1 . 1 4 4 ARG HB2 H 1 1.682 0.020 . 2 . . . . A 4 ARG HB2 . 34574 1 39 . 1 . 1 4 4 ARG HB3 H 1 1.682 0.020 . 2 . . . . A 4 ARG HB3 . 34574 1 40 . 1 . 1 4 4 ARG HG2 H 1 1.337 0.020 . 2 . . . . A 4 ARG HG2 . 34574 1 41 . 1 . 1 4 4 ARG HG3 H 1 1.337 0.020 . 2 . . . . A 4 ARG HG3 . 34574 1 42 . 1 . 1 4 4 ARG HD2 H 1 3.091 0.020 . 2 . . . . A 4 ARG HD2 . 34574 1 43 . 1 . 1 4 4 ARG HD3 H 1 3.019 0.020 . 2 . . . . A 4 ARG HD3 . 34574 1 44 . 1 . 1 4 4 ARG HE H 1 7.160 0.020 . 1 . . . . A 4 ARG HE . 34574 1 45 . 1 . 1 4 4 ARG CA C 13 56.865 0.400 . 1 . . . . A 4 ARG CA . 34574 1 46 . 1 . 1 4 4 ARG CD C 13 42.936 0.400 . 1 . . . . A 4 ARG CD . 34574 1 47 . 1 . 1 4 4 ARG N N 15 118.524 0.400 . 1 . . . . A 4 ARG N . 34574 1 48 . 1 . 1 4 4 ARG NE N 15 84.036 0.400 . 1 . . . . A 4 ARG NE . 34574 1 49 . 1 . 1 5 5 HIS H H 1 9.368 0.020 . 1 . . . . A 5 HIS H . 34574 1 50 . 1 . 1 5 5 HIS HA H 1 4.337 0.020 . 1 . . . . A 5 HIS HA . 34574 1 51 . 1 . 1 5 5 HIS HB2 H 1 3.529 0.020 . 2 . . . . A 5 HIS HB2 . 34574 1 52 . 1 . 1 5 5 HIS HB3 H 1 3.696 0.020 . 2 . . . . A 5 HIS HB3 . 34574 1 53 . 1 . 1 5 5 HIS HD2 H 1 7.302 0.020 . 1 . . . . A 5 HIS HD2 . 34574 1 54 . 1 . 1 5 5 HIS HE1 H 1 8.706 0.020 . 1 . . . . A 5 HIS HE1 . 34574 1 55 . 1 . 1 5 5 HIS CA C 13 56.701 0.400 . 1 . . . . A 5 HIS CA . 34574 1 56 . 1 . 1 5 5 HIS CB C 13 26.469 0.400 . 1 . . . . A 5 HIS CB . 34574 1 57 . 1 . 1 5 5 HIS N N 15 112.570 0.400 . 1 . . . . A 5 HIS N . 34574 1 58 . 1 . 1 6 6 ARG H H 1 7.616 0.020 . 1 . . . . A 6 ARG H . 34574 1 59 . 1 . 1 6 6 ARG HA H 1 4.714 0.020 . 1 . . . . A 6 ARG HA . 34574 1 60 . 1 . 1 6 6 ARG HB2 H 1 2.103 0.020 . 2 . . . . A 6 ARG HB2 . 34574 1 61 . 1 . 1 6 6 ARG HB3 H 1 1.915 0.020 . 2 . . . . A 6 ARG HB3 . 34574 1 62 . 1 . 1 6 6 ARG HG2 H 1 1.672 0.020 . 2 . . . . A 6 ARG HG2 . 34574 1 63 . 1 . 1 6 6 ARG HG3 H 1 1.550 0.020 . 2 . . . . A 6 ARG HG3 . 34574 1 64 . 1 . 1 6 6 ARG HD2 H 1 3.208 0.020 . 2 . . . . A 6 ARG HD2 . 34574 1 65 . 1 . 1 6 6 ARG HD3 H 1 3.208 0.020 . 2 . . . . A 6 ARG HD3 . 34574 1 66 . 1 . 1 6 6 ARG HE H 1 7.223 0.020 . 1 . . . . A 6 ARG HE . 34574 1 67 . 1 . 1 6 6 ARG CB C 13 30.771 0.400 . 1 . . . . A 6 ARG CB . 34574 1 68 . 1 . 1 6 6 ARG CG C 13 26.958 0.400 . 1 . . . . A 6 ARG CG . 34574 1 69 . 1 . 1 6 6 ARG CD C 13 42.583 0.400 . 1 . . . . A 6 ARG CD . 34574 1 70 . 1 . 1 6 6 ARG N N 15 117.715 0.400 . 1 . . . . A 6 ARG N . 34574 1 71 . 1 . 1 6 6 ARG NE N 15 85.225 0.400 . 1 . . . . A 6 ARG NE . 34574 1 72 . 1 . 1 7 7 SER H H 1 8.186 0.020 . 1 . . . . A 7 SER H . 34574 1 73 . 1 . 1 7 7 SER HA H 1 4.829 0.020 . 1 . . . . A 7 SER HA . 34574 1 74 . 1 . 1 7 7 SER HB2 H 1 3.896 0.020 . 2 . . . . A 7 SER HB2 . 34574 1 75 . 1 . 1 7 7 SER HB3 H 1 3.854 0.020 . 2 . . . . A 7 SER HB3 . 34574 1 76 . 1 . 1 7 7 SER CB C 13 63.435 0.400 . 1 . . . . A 7 SER CB . 34574 1 77 . 1 . 1 8 8 CYS H H 1 7.544 0.020 . 1 . . . . A 8 CYS H . 34574 1 78 . 1 . 1 8 8 CYS HA H 1 4.883 0.020 . 1 . . . . A 8 CYS HA . 34574 1 79 . 1 . 1 8 8 CYS HB2 H 1 3.157 0.020 . 2 . . . . A 8 CYS HB2 . 34574 1 80 . 1 . 1 8 8 CYS HB3 H 1 3.058 0.020 . 2 . . . . A 8 CYS HB3 . 34574 1 81 . 1 . 1 8 8 CYS CB C 13 46.724 0.400 . 1 . . . . A 8 CYS CB . 34574 1 82 . 1 . 1 8 8 CYS N N 15 116.764 0.400 . 1 . . . . A 8 CYS N . 34574 1 83 . 1 . 1 9 9 ARG H H 1 9.222 0.020 . 1 . . . . A 9 ARG H . 34574 1 84 . 1 . 1 9 9 ARG HA H 1 4.520 0.020 . 1 . . . . A 9 ARG HA . 34574 1 85 . 1 . 1 9 9 ARG HB2 H 1 1.885 0.020 . 2 . . . . A 9 ARG HB2 . 34574 1 86 . 1 . 1 9 9 ARG HB3 H 1 1.885 0.020 . 2 . . . . A 9 ARG HB3 . 34574 1 87 . 1 . 1 9 9 ARG HG2 H 1 1.679 0.020 . 2 . . . . A 9 ARG HG2 . 34574 1 88 . 1 . 1 9 9 ARG HG3 H 1 1.679 0.020 . 2 . . . . A 9 ARG HG3 . 34574 1 89 . 1 . 1 9 9 ARG HD2 H 1 3.238 0.020 . 2 . . . . A 9 ARG HD2 . 34574 1 90 . 1 . 1 9 9 ARG HD3 H 1 3.238 0.020 . 2 . . . . A 9 ARG HD3 . 34574 1 91 . 1 . 1 9 9 ARG HE H 1 7.323 0.020 . 1 . . . . A 9 ARG HE . 34574 1 92 . 1 . 1 9 9 ARG CB C 13 31.796 0.400 . 1 . . . . A 9 ARG CB . 34574 1 93 . 1 . 1 9 9 ARG CD C 13 42.729 0.400 . 1 . . . . A 9 ARG CD . 34574 1 94 . 1 . 1 9 9 ARG NE N 15 85.027 0.400 . 1 . . . . A 9 ARG NE . 34574 1 95 . 1 . 1 10 10 LYS H H 1 8.000 0.020 . 1 . . . . A 10 LYS H . 34574 1 96 . 1 . 1 10 10 LYS HA H 1 4.774 0.020 . 1 . . . . A 10 LYS HA . 34574 1 97 . 1 . 1 10 10 LYS HB2 H 1 2.031 0.020 . 2 . . . . A 10 LYS HB2 . 34574 1 98 . 1 . 1 10 10 LYS HB3 H 1 1.759 0.020 . 2 . . . . A 10 LYS HB3 . 34574 1 99 . 1 . 1 10 10 LYS HG2 H 1 1.396 0.020 . 2 . . . . A 10 LYS HG2 . 34574 1 100 . 1 . 1 10 10 LYS HG3 H 1 1.396 0.020 . 2 . . . . A 10 LYS HG3 . 34574 1 101 . 1 . 1 10 10 LYS HD2 H 1 1.691 0.020 . 2 . . . . A 10 LYS HD2 . 34574 1 102 . 1 . 1 10 10 LYS HD3 H 1 1.691 0.020 . 2 . . . . A 10 LYS HD3 . 34574 1 103 . 1 . 1 10 10 LYS HE2 H 1 2.971 0.020 . 2 . . . . A 10 LYS HE2 . 34574 1 104 . 1 . 1 10 10 LYS HE3 H 1 2.971 0.020 . 2 . . . . A 10 LYS HE3 . 34574 1 105 . 1 . 1 10 10 LYS CB C 13 35.464 0.400 . 1 . . . . A 10 LYS CB . 34574 1 106 . 1 . 1 10 10 LYS CG C 13 23.878 0.400 . 1 . . . . A 10 LYS CG . 34574 1 107 . 1 . 1 10 10 LYS CD C 13 28.923 0.400 . 1 . . . . A 10 LYS CD . 34574 1 108 . 1 . 1 10 10 LYS CE C 13 41.697 0.400 . 1 . . . . A 10 LYS CE . 34574 1 109 . 1 . 1 10 10 LYS N N 15 117.414 0.400 . 1 . . . . A 10 LYS N . 34574 1 110 . 1 . 1 11 11 SER H H 1 9.218 0.020 . 1 . . . . A 11 SER H . 34574 1 111 . 1 . 1 11 11 SER HA H 1 4.105 0.020 . 1 . . . . A 11 SER HA . 34574 1 112 . 1 . 1 11 11 SER CA C 13 62.372 0.400 . 1 . . . . A 11 SER CA . 34574 1 113 . 1 . 1 12 12 SER H H 1 8.365 0.020 . 1 . . . . A 12 SER H . 34574 1 114 . 1 . 1 12 12 SER HA H 1 4.262 0.020 . 1 . . . . A 12 SER HA . 34574 1 115 . 1 . 1 12 12 SER HB2 H 1 4.043 0.020 . 2 . . . . A 12 SER HB2 . 34574 1 116 . 1 . 1 12 12 SER HB3 H 1 3.906 0.020 . 2 . . . . A 12 SER HB3 . 34574 1 117 . 1 . 1 12 12 SER CA C 13 59.671 0.400 . 1 . . . . A 12 SER CA . 34574 1 118 . 1 . 1 12 12 SER CB C 13 61.961 0.400 . 1 . . . . A 12 SER CB . 34574 1 119 . 1 . 1 12 12 SER N N 15 114.957 0.400 . 1 . . . . A 12 SER N . 34574 1 120 . 1 . 1 13 13 GLU H H 1 7.585 0.020 . 1 . . . . A 13 GLU H . 34574 1 121 . 1 . 1 13 13 GLU HA H 1 4.301 0.020 . 1 . . . . A 13 GLU HA . 34574 1 122 . 1 . 1 13 13 GLU HB2 H 1 2.182 0.020 . 2 . . . . A 13 GLU HB2 . 34574 1 123 . 1 . 1 13 13 GLU HB3 H 1 2.412 0.020 . 2 . . . . A 13 GLU HB3 . 34574 1 124 . 1 . 1 13 13 GLU HG2 H 1 2.304 0.020 . 2 . . . . A 13 GLU HG2 . 34574 1 125 . 1 . 1 13 13 GLU HG3 H 1 2.433 0.020 . 2 . . . . A 13 GLU HG3 . 34574 1 126 . 1 . 1 13 13 GLU CA C 13 56.405 0.400 . 1 . . . . A 13 GLU CA . 34574 1 127 . 1 . 1 13 13 GLU CB C 13 30.939 0.400 . 1 . . . . A 13 GLU CB . 34574 1 128 . 1 . 1 13 13 GLU CG C 13 35.888 0.400 . 1 . . . . A 13 GLU CG . 34574 1 129 . 1 . 1 14 14 CYS H H 1 7.794 0.020 . 1 . . . . A 14 CYS H . 34574 1 130 . 1 . 1 14 14 CYS HA H 1 4.903 0.020 . 1 . . . . A 14 CYS HA . 34574 1 131 . 1 . 1 14 14 CYS HB2 H 1 3.273 0.020 . 2 . . . . A 14 CYS HB2 . 34574 1 132 . 1 . 1 14 14 CYS HB3 H 1 2.840 0.020 . 2 . . . . A 14 CYS HB3 . 34574 1 133 . 1 . 1 14 14 CYS CB C 13 39.385 0.400 . 1 . . . . A 14 CYS CB . 34574 1 134 . 1 . 1 15 15 CYS H H 1 9.299 0.020 . 1 . . . . A 15 CYS H . 34574 1 135 . 1 . 1 15 15 CYS HA H 1 4.657 0.020 . 1 . . . . A 15 CYS HA . 34574 1 136 . 1 . 1 15 15 CYS HB2 H 1 3.307 0.020 . 2 . . . . A 15 CYS HB2 . 34574 1 137 . 1 . 1 15 15 CYS HB3 H 1 2.582 0.020 . 2 . . . . A 15 CYS HB3 . 34574 1 138 . 1 . 1 15 15 CYS CB C 13 40.218 0.400 . 1 . . . . A 15 CYS CB . 34574 1 139 . 1 . 1 15 15 CYS N N 15 120.727 0.400 . 1 . . . . A 15 CYS N . 34574 1 140 . 1 . 1 16 16 GLY H H 1 9.040 0.020 . 1 . . . . A 16 GLY H . 34574 1 141 . 1 . 1 16 16 GLY HA2 H 1 3.865 0.020 . 2 . . . . A 16 GLY HA2 . 34574 1 142 . 1 . 1 16 16 GLY HA3 H 1 3.865 0.020 . 2 . . . . A 16 GLY HA3 . 34574 1 143 . 1 . 1 16 16 GLY CA C 13 45.831 0.400 . 1 . . . . A 16 GLY CA . 34574 1 144 . 1 . 1 16 16 GLY N N 15 111.945 0.400 . 1 . . . . A 16 GLY N . 34574 1 145 . 1 . 1 17 17 CYS H H 1 8.697 0.020 . 1 . . . . A 17 CYS H . 34574 1 146 . 1 . 1 17 17 CYS HA H 1 4.825 0.020 . 1 . . . . A 17 CYS HA . 34574 1 147 . 1 . 1 17 17 CYS HB2 H 1 3.201 0.020 . 2 . . . . A 17 CYS HB2 . 34574 1 148 . 1 . 1 17 17 CYS HB3 H 1 3.158 0.020 . 2 . . . . A 17 CYS HB3 . 34574 1 149 . 1 . 1 17 17 CYS CB C 13 39.235 0.400 . 1 . . . . A 17 CYS CB . 34574 1 150 . 1 . 1 17 17 CYS N N 15 121.139 0.400 . 1 . . . . A 17 CYS N . 34574 1 151 . 1 . 1 18 18 SER H H 1 7.692 0.020 . 1 . . . . A 18 SER H . 34574 1 152 . 1 . 1 18 18 SER HA H 1 5.040 0.020 . 1 . . . . A 18 SER HA . 34574 1 153 . 1 . 1 18 18 SER HB2 H 1 3.761 0.020 . 2 . . . . A 18 SER HB2 . 34574 1 154 . 1 . 1 18 18 SER HB3 H 1 3.502 0.020 . 2 . . . . A 18 SER HB3 . 34574 1 155 . 1 . 1 18 18 SER CB C 13 66.411 0.400 . 1 . . . . A 18 SER CB . 34574 1 156 . 1 . 1 18 18 SER N N 15 119.427 0.400 . 1 . . . . A 18 SER N . 34574 1 157 . 1 . 1 19 19 VAL H H 1 8.760 0.020 . 1 . . . . A 19 VAL H . 34574 1 158 . 1 . 1 19 19 VAL HA H 1 4.519 0.020 . 1 . . . . A 19 VAL HA . 34574 1 159 . 1 . 1 19 19 VAL HB H 1 1.982 0.020 . 1 . . . . A 19 VAL HB . 34574 1 160 . 1 . 1 19 19 VAL HG11 H 1 0.891 0.020 . 2 . . . . A 19 VAL HG11 . 34574 1 161 . 1 . 1 19 19 VAL HG12 H 1 0.891 0.020 . 2 . . . . A 19 VAL HG12 . 34574 1 162 . 1 . 1 19 19 VAL HG13 H 1 0.891 0.020 . 2 . . . . A 19 VAL HG13 . 34574 1 163 . 1 . 1 19 19 VAL HG21 H 1 0.829 0.020 . 2 . . . . A 19 VAL HG21 . 34574 1 164 . 1 . 1 19 19 VAL HG22 H 1 0.829 0.020 . 2 . . . . A 19 VAL HG22 . 34574 1 165 . 1 . 1 19 19 VAL HG23 H 1 0.829 0.020 . 2 . . . . A 19 VAL HG23 . 34574 1 166 . 1 . 1 19 19 VAL CB C 13 35.115 0.400 . 1 . . . . A 19 VAL CB . 34574 1 167 . 1 . 1 19 19 VAL CG1 C 13 21.015 0.400 . 2 . . . . A 19 VAL CG1 . 34574 1 168 . 1 . 1 19 19 VAL CG2 C 13 19.076 0.400 . 2 . . . . A 19 VAL CG2 . 34574 1 169 . 1 . 1 19 19 VAL N N 15 115.258 0.400 . 1 . . . . A 19 VAL N . 34574 1 170 . 1 . 1 20 20 CYS H H 1 8.843 0.020 . 1 . . . . A 20 CYS H . 34574 1 171 . 1 . 1 20 20 CYS HA H 1 4.809 0.020 . 1 . . . . A 20 CYS HA . 34574 1 172 . 1 . 1 20 20 CYS HB2 H 1 2.804 0.020 . 2 . . . . A 20 CYS HB2 . 34574 1 173 . 1 . 1 20 20 CYS HB3 H 1 2.473 0.020 . 2 . . . . A 20 CYS HB3 . 34574 1 174 . 1 . 1 20 20 CYS CB C 13 39.144 0.400 . 1 . . . . A 20 CYS CB . 34574 1 175 . 1 . 1 20 20 CYS N N 15 118.569 0.400 . 1 . . . . A 20 CYS N . 34574 1 176 . 1 . 1 21 21 GLN H H 1 8.729 0.020 . 1 . . . . A 21 GLN H . 34574 1 177 . 1 . 1 21 21 GLN HA H 1 4.633 0.020 . 1 . . . . A 21 GLN HA . 34574 1 178 . 1 . 1 21 21 GLN HB2 H 1 2.112 0.020 . 2 . . . . A 21 GLN HB2 . 34574 1 179 . 1 . 1 21 21 GLN HB3 H 1 1.849 0.020 . 2 . . . . A 21 GLN HB3 . 34574 1 180 . 1 . 1 21 21 GLN HG2 H 1 2.318 0.020 . 2 . . . . A 21 GLN HG2 . 34574 1 181 . 1 . 1 21 21 GLN HG3 H 1 2.318 0.020 . 2 . . . . A 21 GLN HG3 . 34574 1 182 . 1 . 1 21 21 GLN HE21 H 1 7.558 0.020 . 2 . . . . A 21 GLN HE21 . 34574 1 183 . 1 . 1 21 21 GLN HE22 H 1 6.889 0.020 . 2 . . . . A 21 GLN HE22 . 34574 1 184 . 1 . 1 21 21 GLN CA C 13 54.672 0.400 . 1 . . . . A 21 GLN CA . 34574 1 185 . 1 . 1 21 21 GLN CB C 13 31.523 0.400 . 1 . . . . A 21 GLN CB . 34574 1 186 . 1 . 1 21 21 GLN CG C 13 33.779 0.400 . 1 . . . . A 21 GLN CG . 34574 1 187 . 1 . 1 21 21 GLN N N 15 130.587 0.400 . 1 . . . . A 21 GLN N . 34574 1 188 . 1 . 1 21 21 GLN NE2 N 15 112.899 0.400 . 1 . . . . A 21 GLN NE2 . 34574 1 189 . 1 . 1 22 22 CYS H H 1 9.083 0.020 . 1 . . . . A 22 CYS H . 34574 1 190 . 1 . 1 22 22 CYS HA H 1 4.789 0.020 . 1 . . . . A 22 CYS HA . 34574 1 191 . 1 . 1 22 22 CYS HB2 H 1 3.109 0.020 . 2 . . . . A 22 CYS HB2 . 34574 1 192 . 1 . 1 22 22 CYS HB3 H 1 3.022 0.020 . 2 . . . . A 22 CYS HB3 . 34574 1 193 . 1 . 1 22 22 CYS CB C 13 45.133 0.400 . 1 . . . . A 22 CYS CB . 34574 1 194 . 1 . 1 22 22 CYS N N 15 127.619 0.400 . 1 . . . . A 22 CYS N . 34574 1 195 . 1 . 1 23 23 ASN H H 1 8.851 0.020 . 1 . . . . A 23 ASN H . 34574 1 196 . 1 . 1 23 23 ASN HA H 1 4.744 0.020 . 1 . . . . A 23 ASN HA . 34574 1 197 . 1 . 1 23 23 ASN HB2 H 1 3.638 0.020 . 2 . . . . A 23 ASN HB2 . 34574 1 198 . 1 . 1 23 23 ASN HB3 H 1 3.089 0.020 . 2 . . . . A 23 ASN HB3 . 34574 1 199 . 1 . 1 23 23 ASN HD21 H 1 7.920 0.020 . 2 . . . . A 23 ASN HD21 . 34574 1 200 . 1 . 1 23 23 ASN HD22 H 1 7.452 0.020 . 2 . . . . A 23 ASN HD22 . 34574 1 201 . 1 . 1 23 23 ASN CB C 13 37.579 0.400 . 1 . . . . A 23 ASN CB . 34574 1 202 . 1 . 1 23 23 ASN ND2 N 15 111.851 0.400 . 1 . . . . A 23 ASN ND2 . 34574 1 203 . 1 . 1 24 24 LEU H H 1 8.081 0.020 . 1 . . . . A 24 LEU H . 34574 1 204 . 1 . 1 24 24 LEU HA H 1 3.978 0.020 . 1 . . . . A 24 LEU HA . 34574 1 205 . 1 . 1 24 24 LEU HB2 H 1 1.136 0.020 . 2 . . . . A 24 LEU HB2 . 34574 1 206 . 1 . 1 24 24 LEU HB3 H 1 1.328 0.020 . 2 . . . . A 24 LEU HB3 . 34574 1 207 . 1 . 1 24 24 LEU HG H 1 1.333 0.020 . 1 . . . . A 24 LEU HG . 34574 1 208 . 1 . 1 24 24 LEU HD11 H 1 0.739 0.020 . 2 . . . . A 24 LEU HD11 . 34574 1 209 . 1 . 1 24 24 LEU HD12 H 1 0.739 0.020 . 2 . . . . A 24 LEU HD12 . 34574 1 210 . 1 . 1 24 24 LEU HD13 H 1 0.739 0.020 . 2 . . . . A 24 LEU HD13 . 34574 1 211 . 1 . 1 24 24 LEU HD21 H 1 0.770 0.020 . 2 . . . . A 24 LEU HD21 . 34574 1 212 . 1 . 1 24 24 LEU HD22 H 1 0.770 0.020 . 2 . . . . A 24 LEU HD22 . 34574 1 213 . 1 . 1 24 24 LEU HD23 H 1 0.770 0.020 . 2 . . . . A 24 LEU HD23 . 34574 1 214 . 1 . 1 24 24 LEU CA C 13 57.213 0.400 . 1 . . . . A 24 LEU CA . 34574 1 215 . 1 . 1 24 24 LEU CB C 13 41.167 0.400 . 1 . . . . A 24 LEU CB . 34574 1 216 . 1 . 1 24 24 LEU CD1 C 13 23.375 0.400 . 2 . . . . A 24 LEU CD1 . 34574 1 217 . 1 . 1 24 24 LEU CD2 C 13 24.205 0.400 . 2 . . . . A 24 LEU CD2 . 34574 1 218 . 1 . 1 24 24 LEU N N 15 118.080 0.400 . 1 . . . . A 24 LEU N . 34574 1 219 . 1 . 1 25 25 PHE H H 1 7.640 0.020 . 1 . . . . A 25 PHE H . 34574 1 220 . 1 . 1 25 25 PHE HA H 1 4.748 0.020 . 1 . . . . A 25 PHE HA . 34574 1 221 . 1 . 1 25 25 PHE HB2 H 1 2.827 0.020 . 2 . . . . A 25 PHE HB2 . 34574 1 222 . 1 . 1 25 25 PHE HB3 H 1 3.525 0.020 . 2 . . . . A 25 PHE HB3 . 34574 1 223 . 1 . 1 25 25 PHE HD1 H 1 7.208 0.020 . 1 . . . . A 25 PHE HD1 . 34574 1 224 . 1 . 1 25 25 PHE HD2 H 1 7.208 0.020 . 1 . . . . A 25 PHE HD2 . 34574 1 225 . 1 . 1 25 25 PHE HE1 H 1 7.380 0.020 . 1 . . . . A 25 PHE HE1 . 34574 1 226 . 1 . 1 25 25 PHE HE2 H 1 7.380 0.020 . 1 . . . . A 25 PHE HE2 . 34574 1 227 . 1 . 1 25 25 PHE HZ H 1 7.324 0.020 . 1 . . . . A 25 PHE HZ . 34574 1 228 . 1 . 1 25 25 PHE CB C 13 38.433 0.400 . 1 . . . . A 25 PHE CB . 34574 1 229 . 1 . 1 25 25 PHE N N 15 116.305 0.400 . 1 . . . . A 25 PHE N . 34574 1 230 . 1 . 1 26 26 GLY H H 1 8.282 0.020 . 1 . . . . A 26 GLY H . 34574 1 231 . 1 . 1 26 26 GLY HA2 H 1 4.218 0.020 . 2 . . . . A 26 GLY HA2 . 34574 1 232 . 1 . 1 26 26 GLY HA3 H 1 3.706 0.020 . 2 . . . . A 26 GLY HA3 . 34574 1 233 . 1 . 1 26 26 GLY CA C 13 45.798 0.400 . 1 . . . . A 26 GLY CA . 34574 1 234 . 1 . 1 26 26 GLY N N 15 108.060 0.400 . 1 . . . . A 26 GLY N . 34574 1 235 . 1 . 1 27 27 GLN H H 1 7.733 0.020 . 1 . . . . A 27 GLN H . 34574 1 236 . 1 . 1 27 27 GLN HA H 1 4.769 0.020 . 1 . . . . A 27 GLN HA . 34574 1 237 . 1 . 1 27 27 GLN HB2 H 1 2.253 0.020 . 2 . . . . A 27 GLN HB2 . 34574 1 238 . 1 . 1 27 27 GLN HB3 H 1 1.946 0.020 . 2 . . . . A 27 GLN HB3 . 34574 1 239 . 1 . 1 27 27 GLN HG2 H 1 2.356 0.020 . 2 . . . . A 27 GLN HG2 . 34574 1 240 . 1 . 1 27 27 GLN HG3 H 1 2.356 0.020 . 2 . . . . A 27 GLN HG3 . 34574 1 241 . 1 . 1 27 27 GLN HE21 H 1 6.854 0.020 . 2 . . . . A 27 GLN HE21 . 34574 1 242 . 1 . 1 27 27 GLN HE22 H 1 7.479 0.020 . 2 . . . . A 27 GLN HE22 . 34574 1 243 . 1 . 1 27 27 GLN CB C 13 30.922 0.400 . 1 . . . . A 27 GLN CB . 34574 1 244 . 1 . 1 27 27 GLN CG C 13 32.965 0.400 . 1 . . . . A 27 GLN CG . 34574 1 245 . 1 . 1 27 27 GLN N N 15 117.113 0.400 . 1 . . . . A 27 GLN N . 34574 1 246 . 1 . 1 27 27 GLN NE2 N 15 112.199 0.400 . 1 . . . . A 27 GLN NE2 . 34574 1 247 . 1 . 1 28 28 ASN H H 1 9.019 0.020 . 1 . . . . A 28 ASN H . 34574 1 248 . 1 . 1 28 28 ASN HA H 1 4.374 0.020 . 1 . . . . A 28 ASN HA . 34574 1 249 . 1 . 1 28 28 ASN HB2 H 1 3.111 0.020 . 2 . . . . A 28 ASN HB2 . 34574 1 250 . 1 . 1 28 28 ASN HB3 H 1 2.707 0.020 . 2 . . . . A 28 ASN HB3 . 34574 1 251 . 1 . 1 28 28 ASN HD21 H 1 6.869 0.020 . 2 . . . . A 28 ASN HD21 . 34574 1 252 . 1 . 1 28 28 ASN HD22 H 1 7.392 0.020 . 2 . . . . A 28 ASN HD22 . 34574 1 253 . 1 . 1 28 28 ASN CA C 13 53.334 0.400 . 1 . . . . A 28 ASN CA . 34574 1 254 . 1 . 1 28 28 ASN CB C 13 36.802 0.400 . 1 . . . . A 28 ASN CB . 34574 1 255 . 1 . 1 28 28 ASN N N 15 118.223 0.400 . 1 . . . . A 28 ASN N . 34574 1 256 . 1 . 1 28 28 ASN ND2 N 15 111.200 0.400 . 1 . . . . A 28 ASN ND2 . 34574 1 257 . 1 . 1 29 29 CYS H H 1 8.413 0.020 . 1 . . . . A 29 CYS H . 34574 1 258 . 1 . 1 29 29 CYS HA H 1 4.843 0.020 . 1 . . . . A 29 CYS HA . 34574 1 259 . 1 . 1 29 29 CYS HB2 H 1 3.478 0.020 . 2 . . . . A 29 CYS HB2 . 34574 1 260 . 1 . 1 29 29 CYS HB3 H 1 2.780 0.020 . 2 . . . . A 29 CYS HB3 . 34574 1 261 . 1 . 1 29 29 CYS CB C 13 44.908 0.400 . 1 . . . . A 29 CYS CB . 34574 1 262 . 1 . 1 29 29 CYS N N 15 118.286 0.400 . 1 . . . . A 29 CYS N . 34574 1 263 . 1 . 1 30 30 GLN H H 1 8.571 0.020 . 1 . . . . A 30 GLN H . 34574 1 264 . 1 . 1 30 30 GLN HA H 1 5.180 0.020 . 1 . . . . A 30 GLN HA . 34574 1 265 . 1 . 1 30 30 GLN HB2 H 1 1.755 0.020 . 2 . . . . A 30 GLN HB2 . 34574 1 266 . 1 . 1 30 30 GLN HB3 H 1 1.701 0.020 . 2 . . . . A 30 GLN HB3 . 34574 1 267 . 1 . 1 30 30 GLN HG2 H 1 2.107 0.020 . 2 . . . . A 30 GLN HG2 . 34574 1 268 . 1 . 1 30 30 GLN HG3 H 1 2.208 0.020 . 2 . . . . A 30 GLN HG3 . 34574 1 269 . 1 . 1 30 30 GLN HE21 H 1 7.275 0.020 . 2 . . . . A 30 GLN HE21 . 34574 1 270 . 1 . 1 30 30 GLN HE22 H 1 6.695 0.020 . 2 . . . . A 30 GLN HE22 . 34574 1 271 . 1 . 1 30 30 GLN CB C 13 33.603 0.400 . 1 . . . . A 30 GLN CB . 34574 1 272 . 1 . 1 30 30 GLN CG C 13 33.064 0.400 . 1 . . . . A 30 GLN CG . 34574 1 273 . 1 . 1 30 30 GLN N N 15 121.979 0.400 . 1 . . . . A 30 GLN N . 34574 1 274 . 1 . 1 30 30 GLN NE2 N 15 110.210 0.400 . 1 . . . . A 30 GLN NE2 . 34574 1 275 . 1 . 1 31 31 CYS H H 1 8.122 0.020 . 1 . . . . A 31 CYS H . 34574 1 276 . 1 . 1 31 31 CYS HA H 1 5.087 0.020 . 1 . . . . A 31 CYS HA . 34574 1 277 . 1 . 1 31 31 CYS HB2 H 1 3.076 0.020 . 2 . . . . A 31 CYS HB2 . 34574 1 278 . 1 . 1 31 31 CYS HB3 H 1 2.947 0.020 . 2 . . . . A 31 CYS HB3 . 34574 1 279 . 1 . 1 31 31 CYS CB C 13 39.385 0.400 . 1 . . . . A 31 CYS CB . 34574 1 280 . 1 . 1 31 31 CYS N N 15 120.363 0.400 . 1 . . . . A 31 CYS N . 34574 1 281 . 1 . 1 32 32 LYS H H 1 9.719 0.020 . 1 . . . . A 32 LYS H . 34574 1 282 . 1 . 1 32 32 LYS HA H 1 4.773 0.020 . 1 . . . . A 32 LYS HA . 34574 1 283 . 1 . 1 32 32 LYS HB2 H 1 1.730 0.020 . 2 . . . . A 32 LYS HB2 . 34574 1 284 . 1 . 1 32 32 LYS HB3 H 1 1.987 0.020 . 2 . . . . A 32 LYS HB3 . 34574 1 285 . 1 . 1 32 32 LYS HG2 H 1 1.542 0.020 . 2 . . . . A 32 LYS HG2 . 34574 1 286 . 1 . 1 32 32 LYS HG3 H 1 1.464 0.020 . 2 . . . . A 32 LYS HG3 . 34574 1 287 . 1 . 1 32 32 LYS HD2 H 1 1.679 0.020 . 2 . . . . A 32 LYS HD2 . 34574 1 288 . 1 . 1 32 32 LYS HD3 H 1 1.679 0.020 . 2 . . . . A 32 LYS HD3 . 34574 1 289 . 1 . 1 32 32 LYS HE2 H 1 2.952 0.020 . 2 . . . . A 32 LYS HE2 . 34574 1 290 . 1 . 1 32 32 LYS HE3 H 1 2.952 0.020 . 2 . . . . A 32 LYS HE3 . 34574 1 291 . 1 . 1 32 32 LYS CB C 13 36.328 0.400 . 1 . . . . A 32 LYS CB . 34574 1 292 . 1 . 1 32 32 LYS CG C 13 24.399 0.400 . 1 . . . . A 32 LYS CG . 34574 1 293 . 1 . 1 32 32 LYS CD C 13 26.893 0.400 . 1 . . . . A 32 LYS CD . 34574 1 294 . 1 . 1 32 32 LYS CE C 13 41.754 0.400 . 1 . . . . A 32 LYS CE . 34574 1 295 . 1 . 1 32 32 LYS N N 15 126.031 0.400 . 1 . . . . A 32 LYS N . 34574 1 296 . 1 . 1 33 33 SER H H 1 8.646 0.020 . 1 . . . . A 33 SER H . 34574 1 297 . 1 . 1 33 33 SER HA H 1 4.485 0.020 . 1 . . . . A 33 SER HA . 34574 1 298 . 1 . 1 33 33 SER HB2 H 1 3.977 0.020 . 2 . . . . A 33 SER HB2 . 34574 1 299 . 1 . 1 33 33 SER HB3 H 1 3.898 0.020 . 2 . . . . A 33 SER HB3 . 34574 1 300 . 1 . 1 33 33 SER CA C 13 58.671 0.400 . 1 . . . . A 33 SER CA . 34574 1 301 . 1 . 1 33 33 SER CB C 13 63.592 0.400 . 1 . . . . A 33 SER CB . 34574 1 302 . 1 . 1 33 33 SER N N 15 116.368 0.400 . 1 . . . . A 33 SER N . 34574 1 303 . 1 . 1 34 34 GLY H H 1 8.531 0.020 . 1 . . . . A 34 GLY H . 34574 1 304 . 1 . 1 34 34 GLY HA2 H 1 4.146 0.020 . 2 . . . . A 34 GLY HA2 . 34574 1 305 . 1 . 1 34 34 GLY HA3 H 1 3.856 0.020 . 2 . . . . A 34 GLY HA3 . 34574 1 306 . 1 . 1 34 34 GLY CA C 13 44.976 0.400 . 1 . . . . A 34 GLY CA . 34574 1 307 . 1 . 1 34 34 GLY N N 15 111.682 0.400 . 1 . . . . A 34 GLY N . 34574 1 308 . 1 . 1 35 35 GLY H H 1 8.280 0.020 . 1 . . . . A 35 GLY H . 34574 1 309 . 1 . 1 35 35 GLY HA2 H 1 3.851 0.020 . 2 . . . . A 35 GLY HA2 . 34574 1 310 . 1 . 1 35 35 GLY HA3 H 1 4.052 0.020 . 2 . . . . A 35 GLY HA3 . 34574 1 311 . 1 . 1 35 35 GLY CA C 13 45.009 0.400 . 1 . . . . A 35 GLY CA . 34574 1 312 . 1 . 1 35 35 GLY N N 15 108.075 0.400 . 1 . . . . A 35 GLY N . 34574 1 313 . 1 . 1 36 36 LEU H H 1 8.185 0.020 . 1 . . . . A 36 LEU H . 34574 1 314 . 1 . 1 36 36 LEU HA H 1 4.385 0.020 . 1 . . . . A 36 LEU HA . 34574 1 315 . 1 . 1 36 36 LEU HB2 H 1 1.636 0.020 . 2 . . . . A 36 LEU HB2 . 34574 1 316 . 1 . 1 36 36 LEU HB3 H 1 1.686 0.020 . 2 . . . . A 36 LEU HB3 . 34574 1 317 . 1 . 1 36 36 LEU HD11 H 1 0.935 0.020 . 2 . . . . A 36 LEU HD11 . 34574 1 318 . 1 . 1 36 36 LEU HD12 H 1 0.935 0.020 . 2 . . . . A 36 LEU HD12 . 34574 1 319 . 1 . 1 36 36 LEU HD13 H 1 0.935 0.020 . 2 . . . . A 36 LEU HD13 . 34574 1 320 . 1 . 1 36 36 LEU HD21 H 1 0.891 0.020 . 2 . . . . A 36 LEU HD21 . 34574 1 321 . 1 . 1 36 36 LEU HD22 H 1 0.891 0.020 . 2 . . . . A 36 LEU HD22 . 34574 1 322 . 1 . 1 36 36 LEU HD23 H 1 0.891 0.020 . 2 . . . . A 36 LEU HD23 . 34574 1 323 . 1 . 1 36 36 LEU CA C 13 55.114 0.400 . 1 . . . . A 36 LEU CA . 34574 1 324 . 1 . 1 36 36 LEU CB C 13 41.915 0.400 . 1 . . . . A 36 LEU CB . 34574 1 325 . 1 . 1 36 36 LEU CD1 C 13 24.664 0.400 . 2 . . . . A 36 LEU CD1 . 34574 1 326 . 1 . 1 36 36 LEU CD2 C 13 22.864 0.400 . 2 . . . . A 36 LEU CD2 . 34574 1 327 . 1 . 1 37 37 ILE H H 1 7.890 0.020 . 1 . . . . A 37 ILE H . 34574 1 328 . 1 . 1 37 37 ILE HA H 1 4.159 0.020 . 1 . . . . A 37 ILE HA . 34574 1 329 . 1 . 1 37 37 ILE HB H 1 1.899 0.020 . 1 . . . . A 37 ILE HB . 34574 1 330 . 1 . 1 37 37 ILE HG12 H 1 1.453 0.020 . 2 . . . . A 37 ILE HG12 . 34574 1 331 . 1 . 1 37 37 ILE HG13 H 1 1.187 0.020 . 2 . . . . A 37 ILE HG13 . 34574 1 332 . 1 . 1 37 37 ILE HG21 H 1 0.914 0.020 . 1 . . . . A 37 ILE HG21 . 34574 1 333 . 1 . 1 37 37 ILE HG22 H 1 0.914 0.020 . 1 . . . . A 37 ILE HG22 . 34574 1 334 . 1 . 1 37 37 ILE HG23 H 1 0.914 0.020 . 1 . . . . A 37 ILE HG23 . 34574 1 335 . 1 . 1 37 37 ILE HD11 H 1 0.862 0.020 . 1 . . . . A 37 ILE HD11 . 34574 1 336 . 1 . 1 37 37 ILE HD12 H 1 0.862 0.020 . 1 . . . . A 37 ILE HD12 . 34574 1 337 . 1 . 1 37 37 ILE HD13 H 1 0.862 0.020 . 1 . . . . A 37 ILE HD13 . 34574 1 338 . 1 . 1 37 37 ILE CA C 13 60.838 0.400 . 1 . . . . A 37 ILE CA . 34574 1 339 . 1 . 1 37 37 ILE CB C 13 38.424 0.400 . 1 . . . . A 37 ILE CB . 34574 1 340 . 1 . 1 37 37 ILE CG1 C 13 26.920 0.400 . 1 . . . . A 37 ILE CG1 . 34574 1 341 . 1 . 1 37 37 ILE CG2 C 13 17.225 0.400 . 1 . . . . A 37 ILE CG2 . 34574 1 342 . 1 . 1 37 37 ILE CD1 C 13 12.596 0.400 . 1 . . . . A 37 ILE CD1 . 34574 1 343 . 1 . 1 37 37 ILE N N 15 118.989 0.400 . 1 . . . . A 37 ILE N . 34574 1 344 . 1 . 1 38 38 ALA H H 1 8.073 0.020 . 1 . . . . A 38 ALA H . 34574 1 345 . 1 . 1 38 38 ALA HA H 1 4.452 0.020 . 1 . . . . A 38 ALA HA . 34574 1 346 . 1 . 1 38 38 ALA HB1 H 1 1.381 0.020 . 1 . . . . A 38 ALA HB1 . 34574 1 347 . 1 . 1 38 38 ALA HB2 H 1 1.381 0.020 . 1 . . . . A 38 ALA HB2 . 34574 1 348 . 1 . 1 38 38 ALA HB3 H 1 1.381 0.020 . 1 . . . . A 38 ALA HB3 . 34574 1 349 . 1 . 1 38 38 ALA CA C 13 51.748 0.400 . 1 . . . . A 38 ALA CA . 34574 1 350 . 1 . 1 38 38 ALA CB C 13 19.122 0.400 . 1 . . . . A 38 ALA CB . 34574 1 351 . 1 . 1 38 38 ALA N N 15 126.085 0.400 . 1 . . . . A 38 ALA N . 34574 1 352 . 1 . 1 39 39 CYS H H 1 8.051 0.020 . 1 . . . . A 39 CYS H . 34574 1 353 . 1 . 1 39 39 CYS HA H 1 4.588 0.020 . 1 . . . . A 39 CYS HA . 34574 1 354 . 1 . 1 39 39 CYS HB2 H 1 3.250 0.020 . 2 . . . . A 39 CYS HB2 . 34574 1 355 . 1 . 1 39 39 CYS HB3 H 1 3.166 0.020 . 2 . . . . A 39 CYS HB3 . 34574 1 356 . 1 . 1 39 39 CYS CA C 13 56.341 0.400 . 1 . . . . A 39 CYS CA . 34574 1 357 . 1 . 1 39 39 CYS CB C 13 42.363 0.400 . 1 . . . . A 39 CYS CB . 34574 1 358 . 1 . 1 39 39 CYS N N 15 121.647 0.400 . 1 . . . . A 39 CYS N . 34574 1 stop_ save_