################################### # 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 18440 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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-13C HSQC aliphatic' . . . 18440 1 2 '2D 1H-13C HSQC aromatic' . . . 18440 1 6 '2D 1H-1H NOESY' . . . 18440 1 7 '2D 1H-1H TOCSY' . . . 18440 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 CYS HA H 1 4.773 0.005 . 1 . . . A 2 CYS HA . 18440 1 2 . 1 1 2 2 CYS HB2 H 1 2.993 0.005 . 2 . . . A 2 CYS HB2 . 18440 1 3 . 1 1 2 2 CYS HB3 H 1 2.936 0.005 . 2 . . . A 2 CYS HB3 . 18440 1 4 . 1 1 2 2 CYS CB C 13 40.326 0.100 . 1 . . . A 2 CYS CB . 18440 1 5 . 1 1 3 3 TRP H H 1 8.320 0.005 . 1 . . . A 3 TRP H . 18440 1 6 . 1 1 3 3 TRP HA H 1 4.946 0.005 . 1 . . . A 3 TRP HA . 18440 1 7 . 1 1 3 3 TRP HB2 H 1 3.222 0.005 . 2 . . . A 3 TRP HB2 . 18440 1 8 . 1 1 3 3 TRP HB3 H 1 2.999 0.005 . 2 . . . A 3 TRP HB3 . 18440 1 9 . 1 1 3 3 TRP HD1 H 1 7.064 0.005 . 1 . . . A 3 TRP HD1 . 18440 1 10 . 1 1 3 3 TRP HE1 H 1 9.961 0.005 . 1 . . . A 3 TRP HE1 . 18440 1 11 . 1 1 3 3 TRP HE3 H 1 7.471 0.005 . 1 . . . A 3 TRP HE3 . 18440 1 12 . 1 1 3 3 TRP HZ2 H 1 7.425 0.005 . 1 . . . A 3 TRP HZ2 . 18440 1 13 . 1 1 3 3 TRP HZ3 H 1 7.056 0.005 . 1 . . . A 3 TRP HZ3 . 18440 1 14 . 1 1 3 3 TRP HH2 H 1 7.173 0.005 . 1 . . . A 3 TRP HH2 . 18440 1 15 . 1 1 3 3 TRP CA C 13 52.486 0.100 . 1 . . . A 3 TRP CA . 18440 1 16 . 1 1 3 3 TRP CB C 13 28.198 0.100 . 1 . . . A 3 TRP CB . 18440 1 17 . 1 1 4 4 ARG H H 1 8.730 0.005 . 1 . . . A 4 ARG H . 18440 1 18 . 1 1 4 4 ARG HA H 1 4.244 0.005 . 1 . . . A 4 ARG HA . 18440 1 19 . 1 1 4 4 ARG HB2 H 1 1.883 0.005 . 2 . . . A 4 ARG HB2 . 18440 1 20 . 1 1 4 4 ARG HB3 H 1 1.712 0.005 . 2 . . . A 4 ARG HB3 . 18440 1 21 . 1 1 4 4 ARG HG2 H 1 1.669 0.005 . 2 . . . A 4 ARG HG2 . 18440 1 22 . 1 1 4 4 ARG HG3 H 1 1.604 0.005 . 2 . . . A 4 ARG HG3 . 18440 1 23 . 1 1 4 4 ARG HD2 H 1 3.188 0.005 . 1 . . . A 4 ARG HD2 . 18440 1 24 . 1 1 4 4 ARG HD3 H 1 3.188 0.005 . 1 . . . A 4 ARG HD3 . 18440 1 25 . 1 1 4 4 ARG HE H 1 7.308 0.005 . 1 . . . A 4 ARG HE . 18440 1 26 . 1 1 4 4 ARG CA C 13 54.012 0.100 . 1 . . . A 4 ARG CA . 18440 1 27 . 1 1 4 4 ARG CB C 13 27.947 0.100 . 1 . . . A 4 ARG CB . 18440 1 28 . 1 1 4 4 ARG CG C 13 24.815 0.100 . 1 . . . A 4 ARG CG . 18440 1 29 . 1 1 4 4 ARG CD C 13 40.618 0.100 . 1 . . . A 4 ARG CD . 18440 1 30 . 1 1 5 5 ALA H H 1 8.787 0.005 . 1 . . . A 5 ALA H . 18440 1 31 . 1 1 5 5 ALA HA H 1 4.060 0.005 . 1 . . . A 5 ALA HA . 18440 1 32 . 1 1 5 5 ALA HB1 H 1 1.398 0.005 . 1 . . . A 5 ALA HB1 . 18440 1 33 . 1 1 5 5 ALA HB2 H 1 1.398 0.005 . 1 . . . A 5 ALA HB2 . 18440 1 34 . 1 1 5 5 ALA HB3 H 1 1.398 0.005 . 1 . . . A 5 ALA HB3 . 18440 1 35 . 1 1 5 5 ALA CA C 13 51.375 0.100 . 1 . . . A 5 ALA CA . 18440 1 36 . 1 1 5 5 ALA CB C 13 16.150 0.100 . 1 . . . A 5 ALA CB . 18440 1 37 . 1 1 6 6 GLU H H 1 8.728 0.005 . 1 . . . A 6 GLU H . 18440 1 38 . 1 1 6 6 GLU HA H 1 4.156 0.005 . 1 . . . A 6 GLU HA . 18440 1 39 . 1 1 6 6 GLU HB2 H 1 2.133 0.005 . 2 . . . A 6 GLU HB2 . 18440 1 40 . 1 1 6 6 GLU HB3 H 1 2.048 0.005 . 2 . . . A 6 GLU HB3 . 18440 1 41 . 1 1 6 6 GLU HG2 H 1 2.266 0.005 . 2 . . . A 6 GLU HG2 . 18440 1 42 . 1 1 6 6 GLU HG3 H 1 2.209 0.005 . 2 . . . A 6 GLU HG3 . 18440 1 43 . 1 1 6 6 GLU CA C 13 54.180 0.100 . 1 . . . A 6 GLU CA . 18440 1 44 . 1 1 6 6 GLU CB C 13 25.639 0.100 . 1 . . . A 6 GLU CB . 18440 1 45 . 1 1 6 6 GLU CG C 13 32.988 0.100 . 1 . . . A 6 GLU CG . 18440 1 46 . 1 1 7 7 SER H H 1 7.879 0.005 . 1 . . . A 7 SER H . 18440 1 47 . 1 1 7 7 SER HA H 1 4.457 0.005 . 1 . . . A 7 SER HA . 18440 1 48 . 1 1 7 7 SER HB2 H 1 4.294 0.005 . 2 . . . A 7 SER HB2 . 18440 1 49 . 1 1 7 7 SER HB3 H 1 3.953 0.005 . 2 . . . A 7 SER HB3 . 18440 1 50 . 1 1 7 7 SER CA C 13 56.367 0.100 . 1 . . . A 7 SER CA . 18440 1 51 . 1 1 7 7 SER CB C 13 62.874 0.100 . 1 . . . A 7 SER CB . 18440 1 52 . 1 1 8 8 ASP H H 1 8.846 0.005 . 1 . . . A 8 ASP H . 18440 1 53 . 1 1 8 8 ASP HA H 1 4.326 0.005 . 1 . . . A 8 ASP HA . 18440 1 54 . 1 1 8 8 ASP HB2 H 1 2.566 0.005 . 1 . . . A 8 ASP HB2 . 18440 1 55 . 1 1 8 8 ASP HB3 H 1 2.566 0.005 . 1 . . . A 8 ASP HB3 . 18440 1 56 . 1 1 8 8 ASP CA C 13 54.012 0.100 . 1 . . . A 8 ASP CA . 18440 1 57 . 1 1 8 8 ASP CB C 13 37.841 0.100 . 1 . . . A 8 ASP CB . 18440 1 58 . 1 1 9 9 GLU H H 1 8.729 0.005 . 1 . . . A 9 GLU H . 18440 1 59 . 1 1 9 9 GLU HA H 1 3.676 0.005 . 1 . . . A 9 GLU HA . 18440 1 60 . 1 1 9 9 GLU HB2 H 1 1.094 0.005 . 2 . . . A 9 GLU HB2 . 18440 1 61 . 1 1 9 9 GLU HB3 H 1 1.617 0.005 . 2 . . . A 9 GLU HB3 . 18440 1 62 . 1 1 9 9 GLU HG2 H 1 1.935 0.005 . 1 . . . A 9 GLU HG2 . 18440 1 63 . 1 1 9 9 GLU HG3 H 1 1.935 0.005 . 1 . . . A 9 GLU HG3 . 18440 1 64 . 1 1 9 9 GLU CA C 13 56.844 0.100 . 1 . . . A 9 GLU CA . 18440 1 65 . 1 1 9 9 GLU CB C 13 25.776 0.100 . 1 . . . A 9 GLU CB . 18440 1 66 . 1 1 9 9 GLU CG C 13 33.462 0.100 . 1 . . . A 9 GLU CG . 18440 1 67 . 1 1 10 10 ALA H H 1 7.727 0.005 . 1 . . . A 10 ALA H . 18440 1 68 . 1 1 10 10 ALA HA H 1 3.557 0.005 . 1 . . . A 10 ALA HA . 18440 1 69 . 1 1 10 10 ALA HB1 H 1 1.312 0.005 . 1 . . . A 10 ALA HB1 . 18440 1 70 . 1 1 10 10 ALA HB2 H 1 1.312 0.005 . 1 . . . A 10 ALA HB2 . 18440 1 71 . 1 1 10 10 ALA HB3 H 1 1.312 0.005 . 1 . . . A 10 ALA HB3 . 18440 1 72 . 1 1 10 10 ALA CA C 13 51.718 0.100 . 1 . . . A 10 ALA CA . 18440 1 73 . 1 1 10 10 ALA CB C 13 16.387 0.100 . 1 . . . A 10 ALA CB . 18440 1 74 . 1 1 11 11 ARG H H 1 7.641 0.005 . 1 . . . A 11 ARG H . 18440 1 75 . 1 1 11 11 ARG HA H 1 3.887 0.005 . 1 . . . A 11 ARG HA . 18440 1 76 . 1 1 11 11 ARG HB2 H 1 1.798 0.005 . 1 . . . A 11 ARG HB2 . 18440 1 77 . 1 1 11 11 ARG HB3 H 1 1.798 0.005 . 1 . . . A 11 ARG HB3 . 18440 1 78 . 1 1 11 11 ARG HG2 H 1 1.658 0.005 . 2 . . . A 11 ARG HG2 . 18440 1 79 . 1 1 11 11 ARG HG3 H 1 1.528 0.005 . 2 . . . A 11 ARG HG3 . 18440 1 80 . 1 1 11 11 ARG HD2 H 1 3.107 0.005 . 1 . . . A 11 ARG HD2 . 18440 1 81 . 1 1 11 11 ARG HD3 H 1 3.107 0.005 . 1 . . . A 11 ARG HD3 . 18440 1 82 . 1 1 11 11 ARG HE H 1 7.132 0.005 . 1 . . . A 11 ARG HE . 18440 1 83 . 1 1 11 11 ARG CA C 13 55.778 0.100 . 1 . . . A 11 ARG CA . 18440 1 84 . 1 1 11 11 ARG CB C 13 27.348 0.100 . 1 . . . A 11 ARG CB . 18440 1 85 . 1 1 11 11 ARG CG C 13 25.049 0.100 . 1 . . . A 11 ARG CG . 18440 1 86 . 1 1 11 11 ARG CD C 13 40.677 0.100 . 1 . . . A 11 ARG CD . 18440 1 87 . 1 1 12 12 ARG H H 1 7.834 0.005 . 1 . . . A 12 ARG H . 18440 1 88 . 1 1 12 12 ARG HA H 1 4.043 0.005 . 1 . . . A 12 ARG HA . 18440 1 89 . 1 1 12 12 ARG HB2 H 1 1.736 0.005 . 1 . . . A 12 ARG HB2 . 18440 1 90 . 1 1 12 12 ARG HB3 H 1 1.736 0.005 . 1 . . . A 12 ARG HB3 . 18440 1 91 . 1 1 12 12 ARG HG2 H 1 1.652 0.005 . 2 . . . A 12 ARG HG2 . 18440 1 92 . 1 1 12 12 ARG HG3 H 1 1.529 0.005 . 2 . . . A 12 ARG HG3 . 18440 1 93 . 1 1 12 12 ARG HD2 H 1 3.102 0.005 . 1 . . . A 12 ARG HD2 . 18440 1 94 . 1 1 12 12 ARG HD3 H 1 3.102 0.005 . 1 . . . A 12 ARG HD3 . 18440 1 95 . 1 1 12 12 ARG HE H 1 7.289 0.005 . 1 . . . A 12 ARG HE . 18440 1 96 . 1 1 12 12 ARG CA C 13 55.358 0.100 . 1 . . . A 12 ARG CA . 18440 1 97 . 1 1 12 12 ARG CB C 13 27.548 0.100 . 1 . . . A 12 ARG CB . 18440 1 98 . 1 1 12 12 ARG CG C 13 24.713 0.100 . 1 . . . A 12 ARG CG . 18440 1 99 . 1 1 12 12 ARG CD C 13 40.647 0.100 . 1 . . . A 12 ARG CD . 18440 1 100 . 1 1 13 13 CYS H H 1 7.788 0.005 . 1 . . . A 13 CYS H . 18440 1 101 . 1 1 13 13 CYS HA H 1 4.505 0.005 . 1 . . . A 13 CYS HA . 18440 1 102 . 1 1 13 13 CYS HB2 H 1 3.011 0.005 . 1 . . . A 13 CYS HB2 . 18440 1 103 . 1 1 13 13 CYS HB3 H 1 3.011 0.005 . 1 . . . A 13 CYS HB3 . 18440 1 104 . 1 1 13 13 CYS CA C 13 54.573 0.100 . 1 . . . A 13 CYS CA . 18440 1 105 . 1 1 13 13 CYS CB C 13 38.616 0.100 . 1 . . . A 13 CYS CB . 18440 1 106 . 1 1 14 14 TYR H H 1 8.089 0.005 . 1 . . . A 14 TYR H . 18440 1 107 . 1 1 14 14 TYR HA H 1 4.269 0.005 . 1 . . . A 14 TYR HA . 18440 1 108 . 1 1 14 14 TYR HB2 H 1 2.997 0.005 . 1 . . . A 14 TYR HB2 . 18440 1 109 . 1 1 14 14 TYR HB3 H 1 2.997 0.005 . 1 . . . A 14 TYR HB3 . 18440 1 110 . 1 1 14 14 TYR HD1 H 1 7.051 0.005 . 1 . . . A 14 TYR HD1 . 18440 1 111 . 1 1 14 14 TYR HD2 H 1 7.051 0.005 . 1 . . . A 14 TYR HD2 . 18440 1 112 . 1 1 14 14 TYR HE1 H 1 6.772 0.005 . 1 . . . A 14 TYR HE1 . 18440 1 113 . 1 1 14 14 TYR HE2 H 1 6.772 0.005 . 1 . . . A 14 TYR HE2 . 18440 1 114 . 1 1 14 14 TYR CA C 13 56.928 0.100 . 1 . . . A 14 TYR CA . 18440 1 115 . 1 1 14 14 TYR CB C 13 35.313 0.100 . 1 . . . A 14 TYR CB . 18440 1 116 . 1 1 15 15 ASN H H 1 7.822 0.005 . 1 . . . A 15 ASN H . 18440 1 117 . 1 1 15 15 ASN HA H 1 4.520 0.005 . 1 . . . A 15 ASN HA . 18440 1 118 . 1 1 15 15 ASN HB2 H 1 2.888 0.005 . 2 . . . A 15 ASN HB2 . 18440 1 119 . 1 1 15 15 ASN HB3 H 1 2.574 0.005 . 2 . . . A 15 ASN HB3 . 18440 1 120 . 1 1 15 15 ASN HD21 H 1 7.478 0.005 . 2 . . . A 15 ASN HD21 . 18440 1 121 . 1 1 15 15 ASN HD22 H 1 6.819 0.005 . 2 . . . A 15 ASN HD22 . 18440 1 122 . 1 1 15 15 ASN CA C 13 50.646 0.100 . 1 . . . A 15 ASN CA . 18440 1 123 . 1 1 15 15 ASN CB C 13 36.263 0.100 . 1 . . . A 15 ASN CB . 18440 1 124 . 1 1 16 16 ASP H H 1 7.640 0.005 . 1 . . . A 16 ASP H . 18440 1 125 . 1 1 16 16 ASP HA H 1 5.080 0.005 . 1 . . . A 16 ASP HA . 18440 1 126 . 1 1 16 16 ASP HB2 H 1 3.094 0.005 . 2 . . . A 16 ASP HB2 . 18440 1 127 . 1 1 16 16 ASP HB3 H 1 2.565 0.005 . 2 . . . A 16 ASP HB3 . 18440 1 128 . 1 1 16 16 ASP CA C 13 48.031 0.100 . 1 . . . A 16 ASP CA . 18440 1 129 . 1 1 16 16 ASP CB C 13 40.317 0.100 . 1 . . . A 16 ASP CB . 18440 1 130 . 1 1 17 17 PRO HA H 1 4.400 0.005 . 1 . . . A 17 PRO HA . 18440 1 131 . 1 1 17 17 PRO HB2 H 1 1.936 0.005 . 2 . . . A 17 PRO HB2 . 18440 1 132 . 1 1 17 17 PRO HB3 H 1 2.365 0.005 . 2 . . . A 17 PRO HB3 . 18440 1 133 . 1 1 17 17 PRO HG2 H 1 2.000 0.005 . 1 . . . A 17 PRO HG2 . 18440 1 134 . 1 1 17 17 PRO HD2 H 1 3.954 0.005 . 2 . . . A 17 PRO HD2 . 18440 1 135 . 1 1 17 17 PRO HD3 H 1 3.910 0.005 . 2 . . . A 17 PRO HD3 . 18440 1 136 . 1 1 17 17 PRO CA C 13 61.584 0.100 . 1 . . . A 17 PRO CA . 18440 1 137 . 1 1 17 17 PRO CB C 13 29.626 0.100 . 1 . . . A 17 PRO CB . 18440 1 138 . 1 1 17 17 PRO CG C 13 24.450 0.100 . 1 . . . A 17 PRO CG . 18440 1 139 . 1 1 17 17 PRO CD C 13 48.476 0.100 . 1 . . . A 17 PRO CD . 18440 1 140 . 1 1 18 18 LYS H H 1 8.278 0.005 . 1 . . . A 18 LYS H . 18440 1 141 . 1 1 18 18 LYS HA H 1 4.235 0.005 . 1 . . . A 18 LYS HA . 18440 1 142 . 1 1 18 18 LYS HB2 H 1 1.808 0.005 . 2 . . . A 18 LYS HB2 . 18440 1 143 . 1 1 18 18 LYS HB3 H 1 1.852 0.005 . 2 . . . A 18 LYS HB3 . 18440 1 144 . 1 1 18 18 LYS HG2 H 1 1.418 0.005 . 2 . . . A 18 LYS HG2 . 18440 1 145 . 1 1 18 18 LYS HG3 H 1 1.363 0.005 . 2 . . . A 18 LYS HG3 . 18440 1 146 . 1 1 18 18 LYS HD2 H 1 1.662 0.005 . 1 . . . A 18 LYS HD2 . 18440 1 147 . 1 1 18 18 LYS HD3 H 1 1.662 0.005 . 1 . . . A 18 LYS HD3 . 18440 1 148 . 1 1 18 18 LYS HE2 H 1 2.967 0.005 . 1 . . . A 18 LYS HE2 . 18440 1 149 . 1 1 18 18 LYS HE3 H 1 2.967 0.005 . 1 . . . A 18 LYS HE3 . 18440 1 150 . 1 1 18 18 LYS CA C 13 53.310 0.100 . 1 . . . A 18 LYS CA . 18440 1 151 . 1 1 18 18 LYS CB C 13 29.145 0.100 . 1 . . . A 18 LYS CB . 18440 1 152 . 1 1 18 18 LYS CG C 13 22.326 0.100 . 1 . . . A 18 LYS CG . 18440 1 153 . 1 1 18 18 LYS CD C 13 26.011 0.100 . 1 . . . A 18 LYS CD . 18440 1 154 . 1 1 18 18 LYS CE C 13 39.507 0.100 . 1 . . . A 18 LYS CE . 18440 1 155 . 1 1 19 19 CYS H H 1 7.968 0.005 . 1 . . . A 19 CYS H . 18440 1 156 . 1 1 19 19 CYS HA H 1 4.500 0.005 . 1 . . . A 19 CYS HA . 18440 1 157 . 1 1 19 19 CYS HB2 H 1 3.570 0.005 . 2 . . . A 19 CYS HB2 . 18440 1 158 . 1 1 19 19 CYS HB3 H 1 3.535 0.005 . 2 . . . A 19 CYS HB3 . 18440 1 159 . 1 1 19 19 CYS CA C 13 54.152 0.100 . 1 . . . A 19 CYS CA . 18440 1 160 . 1 1 19 19 CYS CB C 13 41.021 0.100 . 1 . . . A 19 CYS CB . 18440 1 161 . 1 1 20 20 SER H H 1 8.649 0.005 . 1 . . . A 20 SER H . 18440 1 162 . 1 1 20 20 SER HA H 1 4.478 0.005 . 1 . . . A 20 SER HA . 18440 1 163 . 1 1 20 20 SER HB2 H 1 3.969 0.005 . 2 . . . A 20 SER HB2 . 18440 1 164 . 1 1 20 20 SER HB3 H 1 3.822 0.005 . 2 . . . A 20 SER HB3 . 18440 1 165 . 1 1 20 20 SER CA C 13 55.358 0.100 . 1 . . . A 20 SER CA . 18440 1 166 . 1 1 20 20 SER CB C 13 61.163 0.100 . 1 . . . A 20 SER CB . 18440 1 167 . 1 1 21 21 ASP H H 1 7.969 0.005 . 1 . . . A 21 ASP H . 18440 1 168 . 1 1 21 21 ASP HA H 1 4.622 0.005 . 1 . . . A 21 ASP HA . 18440 1 169 . 1 1 21 21 ASP HB2 H 1 2.700 0.005 . 1 . . . A 21 ASP HB2 . 18440 1 170 . 1 1 21 21 ASP HB3 H 1 2.700 0.005 . 1 . . . A 21 ASP HB3 . 18440 1 171 . 1 1 21 21 ASP CB C 13 38.777 0.100 . 1 . . . A 21 ASP CB . 18440 1 172 . 1 1 22 22 SER H H 1 8.122 0.005 . 1 . . . A 22 SER H . 18440 1 173 . 1 1 22 22 SER HA H 1 4.482 0.005 . 1 . . . A 22 SER HA . 18440 1 174 . 1 1 22 22 SER HB2 H 1 3.761 0.005 . 2 . . . A 22 SER HB2 . 18440 1 175 . 1 1 22 22 SER HB3 H 1 3.737 0.005 . 2 . . . A 22 SER HB3 . 18440 1 176 . 1 1 22 22 SER CA C 13 55.498 0.100 . 1 . . . A 22 SER CA . 18440 1 177 . 1 1 22 22 SER CB C 13 61.780 0.100 . 1 . . . A 22 SER CB . 18440 1 178 . 1 1 23 23 VAL H H 1 7.746 0.005 . 1 . . . A 23 VAL H . 18440 1 179 . 1 1 23 23 VAL HA H 1 4.207 0.005 . 1 . . . A 23 VAL HA . 18440 1 180 . 1 1 23 23 VAL HB H 1 1.897 0.005 . 1 . . . A 23 VAL HB . 18440 1 181 . 1 1 23 23 VAL HG11 H 1 0.962 0.005 . 2 . . . A 23 VAL HG11 . 18440 1 182 . 1 1 23 23 VAL HG12 H 1 0.962 0.005 . 2 . . . A 23 VAL HG12 . 18440 1 183 . 1 1 23 23 VAL HG13 H 1 0.962 0.005 . 2 . . . A 23 VAL HG13 . 18440 1 184 . 1 1 23 23 VAL HG21 H 1 0.917 0.005 . 2 . . . A 23 VAL HG21 . 18440 1 185 . 1 1 23 23 VAL HG22 H 1 0.917 0.005 . 2 . . . A 23 VAL HG22 . 18440 1 186 . 1 1 23 23 VAL HG23 H 1 0.917 0.005 . 2 . . . A 23 VAL HG23 . 18440 1 187 . 1 1 23 23 VAL CA C 13 58.948 0.100 . 1 . . . A 23 VAL CA . 18440 1 188 . 1 1 23 23 VAL CG1 C 13 18.798 0.100 . 1 . . . A 23 VAL CG1 . 18440 1 189 . 1 1 23 23 VAL CG2 C 13 18.554 0.100 . 1 . . . A 23 VAL CG2 . 18440 1 190 . 1 1 24 24 CYS H H 1 8.640 0.005 . 1 . . . A 24 CYS H . 18440 1 191 . 1 1 24 24 CYS HA H 1 4.511 0.005 . 1 . . . A 24 CYS HA . 18440 1 192 . 1 1 24 24 CYS HB2 H 1 3.229 0.005 . 2 . . . A 24 CYS HB2 . 18440 1 193 . 1 1 24 24 CYS HB3 H 1 2.704 0.005 . 2 . . . A 24 CYS HB3 . 18440 1 194 . 1 1 24 24 CYS CA C 13 52.441 0.100 . 1 . . . A 24 CYS CA . 18440 1 195 . 1 1 24 24 CYS CB C 13 38.017 0.100 . 1 . . . A 24 CYS CB . 18440 1 196 . 1 1 25 25 LYS H H 1 8.098 0.005 . 1 . . . A 25 LYS H . 18440 1 197 . 1 1 25 25 LYS HA H 1 4.141 0.005 . 1 . . . A 25 LYS HA . 18440 1 198 . 1 1 25 25 LYS HB2 H 1 1.801 0.005 . 2 . . . A 25 LYS HB2 . 18440 1 199 . 1 1 25 25 LYS HB3 H 1 1.672 0.005 . 2 . . . A 25 LYS HB3 . 18440 1 200 . 1 1 25 25 LYS HG2 H 1 1.386 0.005 . 1 . . . A 25 LYS HG2 . 18440 1 201 . 1 1 25 25 LYS HG3 H 1 1.386 0.005 . 1 . . . A 25 LYS HG3 . 18440 1 202 . 1 1 25 25 LYS HD2 H 1 1.615 0.005 . 1 . . . A 25 LYS HD2 . 18440 1 203 . 1 1 25 25 LYS HD3 H 1 1.615 0.005 . 1 . . . A 25 LYS HD3 . 18440 1 204 . 1 1 25 25 LYS HE2 H 1 2.966 0.005 . 1 . . . A 25 LYS HE2 . 18440 1 205 . 1 1 25 25 LYS HE3 H 1 2.966 0.005 . 1 . . . A 25 LYS HE3 . 18440 1 206 . 1 1 25 25 LYS CA C 13 55.077 0.100 . 1 . . . A 25 LYS CA . 18440 1 207 . 1 1 25 25 LYS CB C 13 31.194 0.100 . 1 . . . A 25 LYS CB . 18440 1 208 . 1 1 25 25 LYS CG C 13 22.109 0.100 . 1 . . . A 25 LYS CG . 18440 1 209 . 1 1 25 25 LYS CD C 13 26.410 0.100 . 1 . . . A 25 LYS CD . 18440 1 210 . 1 1 25 25 LYS CE C 13 39.230 0.100 . 1 . . . A 25 LYS CE . 18440 1 stop_ save_