################################### # 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 25122 _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 DQF-COSY' . . . 25122 1 2 '2D 1H-1H NOESY' . . . 25122 1 3 '2D 1H-1H TOCSY' . . . 25122 1 4 '2D 1H-13C HSQC aliphatic' . . . 25122 1 5 '2D 1H-13C HSQC aromatic' . . . 25122 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 LYS HA H 1 4.374 0.020 . 1 . . . A 1 LYS HA . 25122 1 2 . 1 1 1 1 LYS HB2 H 1 1.949 0.020 . 1 . . . A 1 LYS HB2 . 25122 1 3 . 1 1 1 1 LYS HB3 H 1 1.949 0.020 . 1 . . . A 1 LYS HB3 . 25122 1 4 . 1 1 1 1 LYS HG2 H 1 1.532 0.020 . 1 . . . A 1 LYS HG2 . 25122 1 5 . 1 1 1 1 LYS HG3 H 1 1.532 0.020 . 1 . . . A 1 LYS HG3 . 25122 1 6 . 1 1 1 1 LYS HD2 H 1 1.735 0.020 . 1 . . . A 1 LYS HD2 . 25122 1 7 . 1 1 1 1 LYS HD3 H 1 1.735 0.020 . 1 . . . A 1 LYS HD3 . 25122 1 8 . 1 1 1 1 LYS HE2 H 1 3.027 0.020 . 1 . . . A 1 LYS HE2 . 25122 1 9 . 1 1 1 1 LYS HE3 H 1 3.027 0.020 . 1 . . . A 1 LYS HE3 . 25122 1 10 . 1 1 1 1 LYS HZ1 H 1 7.657 0.020 . 1 . . . A 1 LYS HZ1 . 25122 1 11 . 1 1 1 1 LYS HZ2 H 1 7.657 0.020 . 1 . . . A 1 LYS HZ2 . 25122 1 12 . 1 1 1 1 LYS HZ3 H 1 7.657 0.020 . 1 . . . A 1 LYS HZ3 . 25122 1 13 . 1 1 1 1 LYS CA C 13 54.518 0.3 . 1 . . . A 1 LYS CA . 25122 1 14 . 1 1 1 1 LYS CB C 13 32.212 0.3 . 1 . . . A 1 LYS CB . 25122 1 15 . 1 1 1 1 LYS CG C 13 23.798 0.3 . 1 . . . A 1 LYS CG . 25122 1 16 . 1 1 1 1 LYS CD C 13 29.326 0.3 . 1 . . . A 1 LYS CD . 25122 1 17 . 1 1 1 1 LYS CE C 13 41.968 0.3 . 1 . . . A 1 LYS CE . 25122 1 18 . 1 1 2 2 PRO HA H 1 4.497 0.020 . 1 . . . A 2 PRO HA . 25122 1 19 . 1 1 2 2 PRO HB2 H 1 2.367 0.020 . 2 . . . A 2 PRO HB2 . 25122 1 20 . 1 1 2 2 PRO HB3 H 1 1.838 0.020 . 2 . . . A 2 PRO HB3 . 25122 1 21 . 1 1 2 2 PRO HG2 H 1 2.017 0.020 . 1 . . . A 2 PRO HG2 . 25122 1 22 . 1 1 2 2 PRO HG3 H 1 2.017 0.020 . 1 . . . A 2 PRO HG3 . 25122 1 23 . 1 1 2 2 PRO HD2 H 1 3.787 0.020 . 2 . . . A 2 PRO HD2 . 25122 1 24 . 1 1 2 2 PRO HD3 H 1 3.590 0.020 . 2 . . . A 2 PRO HD3 . 25122 1 25 . 1 1 2 2 PRO CA C 13 63.150 0.3 . 1 . . . A 2 PRO CA . 25122 1 26 . 1 1 2 2 PRO CB C 13 32.484 0.3 . 1 . . . A 2 PRO CB . 25122 1 27 . 1 1 2 2 PRO CG C 13 27.606 0.3 . 1 . . . A 2 PRO CG . 25122 1 28 . 1 1 2 2 PRO CD C 13 50.749 0.3 . 1 . . . A 2 PRO CD . 25122 1 29 . 1 1 3 3 LYS H H 1 8.726 0.020 . 1 . . . A 3 LYS H . 25122 1 30 . 1 1 3 3 LYS HA H 1 4.334 0.020 . 1 . . . A 3 LYS HA . 25122 1 31 . 1 1 3 3 LYS HB2 H 1 1.739 0.020 . 2 . . . A 3 LYS HB2 . 25122 1 32 . 1 1 3 3 LYS HB3 H 1 1.665 0.020 . 2 . . . A 3 LYS HB3 . 25122 1 33 . 1 1 3 3 LYS HG2 H 1 1.455 0.020 . 2 . . . A 3 LYS HG2 . 25122 1 34 . 1 1 3 3 LYS HG3 H 1 1.338 0.020 . 2 . . . A 3 LYS HG3 . 25122 1 35 . 1 1 3 3 LYS HD2 H 1 1.595 0.020 . 1 . . . A 3 LYS HD2 . 25122 1 36 . 1 1 3 3 LYS HD3 H 1 1.595 0.020 . 1 . . . A 3 LYS HD3 . 25122 1 37 . 1 1 3 3 LYS HE2 H 1 2.902 0.020 . 1 . . . A 3 LYS HE2 . 25122 1 38 . 1 1 3 3 LYS HE3 H 1 2.902 0.020 . 1 . . . A 3 LYS HE3 . 25122 1 39 . 1 1 3 3 LYS HZ1 H 1 7.603 0.020 . 1 . . . A 3 LYS HZ1 . 25122 1 40 . 1 1 3 3 LYS HZ2 H 1 7.603 0.020 . 1 . . . A 3 LYS HZ2 . 25122 1 41 . 1 1 3 3 LYS HZ3 H 1 7.603 0.020 . 1 . . . A 3 LYS HZ3 . 25122 1 42 . 1 1 3 3 LYS CA C 13 56.331 0.3 . 1 . . . A 3 LYS CA . 25122 1 43 . 1 1 3 3 LYS CB C 13 33.376 0.3 . 1 . . . A 3 LYS CB . 25122 1 44 . 1 1 3 3 LYS CG C 13 25.000 0.3 . 1 . . . A 3 LYS CG . 25122 1 45 . 1 1 3 3 LYS CD C 13 29.196 0.3 . 1 . . . A 3 LYS CD . 25122 1 46 . 1 1 3 3 LYS CE C 13 42.064 0.3 . 1 . . . A 3 LYS CE . 25122 1 47 . 1 1 4 4 CYS H H 1 8.164 0.020 . 1 . . . A 4 CYS H . 25122 1 48 . 1 1 4 4 CYS HA H 1 5.230 0.020 . 1 . . . A 4 CYS HA . 25122 1 49 . 1 1 4 4 CYS HB2 H 1 3.022 0.020 . 1 . . . A 4 CYS HB2 . 25122 1 50 . 1 1 4 4 CYS HB3 H 1 3.022 0.020 . 1 . . . A 4 CYS HB3 . 25122 1 51 . 1 1 4 4 CYS CA C 13 53.995 0.3 . 1 . . . A 4 CYS CA . 25122 1 52 . 1 1 4 4 CYS CB C 13 45.331 0.3 . 1 . . . A 4 CYS CB . 25122 1 53 . 1 1 5 5 GLY H H 1 9.544 0.020 . 1 . . . A 5 GLY H . 25122 1 54 . 1 1 5 5 GLY HA2 H 1 4.359 0.020 . 2 . . . A 5 GLY HA2 . 25122 1 55 . 1 1 5 5 GLY HA3 H 1 4.209 0.020 . 2 . . . A 5 GLY HA3 . 25122 1 56 . 1 1 5 5 GLY CA C 13 48.681 0.3 . 1 . . . A 5 GLY CA . 25122 1 57 . 1 1 6 6 LEU H H 1 6.355 0.020 . 1 . . . A 6 LEU H . 25122 1 58 . 1 1 6 6 LEU HA H 1 4.704 0.020 . 1 . . . A 6 LEU HA . 25122 1 59 . 1 1 6 6 LEU HB2 H 1 1.483 0.020 . 2 . . . A 6 LEU HB2 . 25122 1 60 . 1 1 6 6 LEU HB3 H 1 0.904 0.020 . 2 . . . A 6 LEU HB3 . 25122 1 61 . 1 1 6 6 LEU HG H 1 1.333 0.020 . 1 . . . A 6 LEU HG . 25122 1 62 . 1 1 6 6 LEU HD11 H 1 0.604 0.020 . 2 . . . A 6 LEU HD11 . 25122 1 63 . 1 1 6 6 LEU HD12 H 1 0.604 0.020 . 2 . . . A 6 LEU HD12 . 25122 1 64 . 1 1 6 6 LEU HD13 H 1 0.604 0.020 . 2 . . . A 6 LEU HD13 . 25122 1 65 . 1 1 6 6 LEU HD21 H 1 0.753 0.020 . 2 . . . A 6 LEU HD21 . 25122 1 66 . 1 1 6 6 LEU HD22 H 1 0.753 0.020 . 2 . . . A 6 LEU HD22 . 25122 1 67 . 1 1 6 6 LEU HD23 H 1 0.753 0.020 . 2 . . . A 6 LEU HD23 . 25122 1 68 . 1 1 6 6 LEU CA C 13 52.646 0.3 . 1 . . . A 6 LEU CA . 25122 1 69 . 1 1 6 6 LEU CB C 13 42.987 0.3 . 1 . . . A 6 LEU CB . 25122 1 70 . 1 1 6 6 LEU CG C 13 27.236 0.3 . 1 . . . A 6 LEU CG . 25122 1 71 . 1 1 6 6 LEU CD1 C 13 25.128 0.3 . 1 . . . A 6 LEU CD1 . 25122 1 72 . 1 1 6 6 LEU CD2 C 13 22.715 0.3 . 1 . . . A 6 LEU CD2 . 25122 1 73 . 1 1 7 7 CYS H H 1 8.277 0.020 . 1 . . . A 7 CYS H . 25122 1 74 . 1 1 7 7 CYS HA H 1 4.077 0.020 . 1 . . . A 7 CYS HA . 25122 1 75 . 1 1 7 7 CYS HB2 H 1 3.060 0.020 . 2 . . . A 7 CYS HB2 . 25122 1 76 . 1 1 7 7 CYS HB3 H 1 2.746 0.020 . 2 . . . A 7 CYS HB3 . 25122 1 77 . 1 1 7 7 CYS CA C 13 57.158 0.3 . 1 . . . A 7 CYS CA . 25122 1 78 . 1 1 7 7 CYS CB C 13 38.748 0.3 . 1 . . . A 7 CYS CB . 25122 1 79 . 1 1 8 8 ARG H H 1 9.053 0.020 . 1 . . . A 8 ARG H . 25122 1 80 . 1 1 8 8 ARG HA H 1 3.844 0.020 . 1 . . . A 8 ARG HA . 25122 1 81 . 1 1 8 8 ARG HB2 H 1 2.344 0.020 . 2 . . . A 8 ARG HB2 . 25122 1 82 . 1 1 8 8 ARG HB3 H 1 1.956 0.020 . 2 . . . A 8 ARG HB3 . 25122 1 83 . 1 1 8 8 ARG HG2 H 1 1.622 0.020 . 1 . . . A 8 ARG HG2 . 25122 1 84 . 1 1 8 8 ARG HG3 H 1 1.622 0.020 . 1 . . . A 8 ARG HG3 . 25122 1 85 . 1 1 8 8 ARG HD2 H 1 3.223 0.020 . 1 . . . A 8 ARG HD2 . 25122 1 86 . 1 1 8 8 ARG HD3 H 1 3.223 0.020 . 1 . . . A 8 ARG HD3 . 25122 1 87 . 1 1 8 8 ARG CA C 13 59.504 0.3 . 1 . . . A 8 ARG CA . 25122 1 88 . 1 1 8 8 ARG CB C 13 27.840 0.3 . 1 . . . A 8 ARG CB . 25122 1 89 . 1 1 8 8 ARG CG C 13 28.289 0.3 . 1 . . . A 8 ARG CG . 25122 1 90 . 1 1 8 8 ARG CD C 13 43.377 0.3 . 1 . . . A 8 ARG CD . 25122 1 91 . 1 1 9 9 TYR H H 1 8.548 0.020 . 1 . . . A 9 TYR H . 25122 1 92 . 1 1 9 9 TYR HA H 1 4.762 0.020 . 1 . . . A 9 TYR HA . 25122 1 93 . 1 1 9 9 TYR HB2 H 1 3.175 0.020 . 1 . . . A 9 TYR HB2 . 25122 1 94 . 1 1 9 9 TYR HB3 H 1 3.175 0.020 . 1 . . . A 9 TYR HB3 . 25122 1 95 . 1 1 9 9 TYR HD1 H 1 7.069 0.020 . 1 . . . A 9 TYR HD1 . 25122 1 96 . 1 1 9 9 TYR HD2 H 1 7.069 0.020 . 1 . . . A 9 TYR HD2 . 25122 1 97 . 1 1 9 9 TYR HE1 H 1 6.827 0.020 . 1 . . . A 9 TYR HE1 . 25122 1 98 . 1 1 9 9 TYR HE2 H 1 6.827 0.020 . 1 . . . A 9 TYR HE2 . 25122 1 99 . 1 1 9 9 TYR CA C 13 56.807 0.3 . 1 . . . A 9 TYR CA . 25122 1 100 . 1 1 9 9 TYR CB C 13 39.997 0.3 . 1 . . . A 9 TYR CB . 25122 1 101 . 1 1 9 9 TYR CD1 C 13 132.746 0.3 . 1 . . . A 9 TYR CD1 . 25122 1 102 . 1 1 9 9 TYR CD2 C 13 132.746 0.3 . 1 . . . A 9 TYR CD2 . 25122 1 103 . 1 1 9 9 TYR CE1 C 13 118.100 0.3 . 1 . . . A 9 TYR CE1 . 25122 1 104 . 1 1 9 9 TYR CE2 C 13 118.100 0.3 . 1 . . . A 9 TYR CE2 . 25122 1 105 . 1 1 10 10 ARG H H 1 8.678 0.020 . 1 . . . A 10 ARG H . 25122 1 106 . 1 1 10 10 ARG HA H 1 4.819 0.020 . 1 . . . A 10 ARG HA . 25122 1 107 . 1 1 10 10 ARG HB2 H 1 2.045 0.020 . 1 . . . A 10 ARG HB2 . 25122 1 108 . 1 1 10 10 ARG HB3 H 1 2.045 0.020 . 1 . . . A 10 ARG HB3 . 25122 1 109 . 1 1 10 10 ARG HG2 H 1 1.978 0.020 . 2 . . . A 10 ARG HG2 . 25122 1 110 . 1 1 10 10 ARG HG3 H 1 1.804 0.020 . 2 . . . A 10 ARG HG3 . 25122 1 111 . 1 1 10 10 ARG HD2 H 1 3.296 0.020 . 1 . . . A 10 ARG HD2 . 25122 1 112 . 1 1 10 10 ARG HD3 H 1 3.296 0.020 . 1 . . . A 10 ARG HD3 . 25122 1 113 . 1 1 10 10 ARG CB C 13 30.284 0.3 . 1 . . . A 10 ARG CB . 25122 1 114 . 1 1 10 10 ARG CG C 13 26.466 0.3 . 1 . . . A 10 ARG CG . 25122 1 115 . 1 1 10 10 ARG CD C 13 43.384 0.3 . 1 . . . A 10 ARG CD . 25122 1 116 . 1 1 11 11 CYS H H 1 7.889 0.020 . 1 . . . A 11 CYS H . 25122 1 117 . 1 1 11 11 CYS HA H 1 4.384 0.020 . 1 . . . A 11 CYS HA . 25122 1 118 . 1 1 11 11 CYS HB2 H 1 3.247 0.020 . 2 . . . A 11 CYS HB2 . 25122 1 119 . 1 1 11 11 CYS HB3 H 1 3.170 0.020 . 2 . . . A 11 CYS HB3 . 25122 1 120 . 1 1 11 11 CYS CA C 13 55.732 0.3 . 1 . . . A 11 CYS CA . 25122 1 121 . 1 1 11 11 CYS CB C 13 40.017 0.3 . 1 . . . A 11 CYS CB . 25122 1 122 . 1 1 12 12 CYS H H 1 9.242 0.020 . 1 . . . A 12 CYS H . 25122 1 123 . 1 1 12 12 CYS HB2 H 1 3.346 0.020 . 2 . . . A 12 CYS HB2 . 25122 1 124 . 1 1 12 12 CYS HB3 H 1 2.878 0.020 . 2 . . . A 12 CYS HB3 . 25122 1 125 . 1 1 12 12 CYS CB C 13 39.225 0.3 . 1 . . . A 12 CYS CB . 25122 1 126 . 1 1 13 13 SER H H 1 9.390 0.020 . 1 . . . A 13 SER H . 25122 1 127 . 1 1 13 13 SER HA H 1 4.084 0.020 . 1 . . . A 13 SER HA . 25122 1 128 . 1 1 13 13 SER HB2 H 1 3.990 0.020 . 2 . . . A 13 SER HB2 . 25122 1 129 . 1 1 13 13 SER HB3 H 1 3.848 0.020 . 2 . . . A 13 SER HB3 . 25122 1 130 . 1 1 13 13 SER CA C 13 59.982 0.3 . 1 . . . A 13 SER CA . 25122 1 131 . 1 1 13 13 SER CB C 13 61.752 0.3 . 1 . . . A 13 SER CB . 25122 1 132 . 1 1 14 14 GLY H H 1 8.245 0.020 . 1 . . . A 14 GLY H . 25122 1 133 . 1 1 14 14 GLY HA2 H 1 4.015 0.020 . 2 . . . A 14 GLY HA2 . 25122 1 134 . 1 1 14 14 GLY HA3 H 1 4.010 0.020 . 2 . . . A 14 GLY HA3 . 25122 1 135 . 1 1 14 14 GLY CA C 13 44.893 0.3 . 1 . . . A 14 GLY CA . 25122 1 136 . 1 1 15 15 GLY H H 1 7.870 0.020 . 1 . . . A 15 GLY H . 25122 1 137 . 1 1 15 15 GLY HA2 H 1 4.222 0.020 . 2 . . . A 15 GLY HA2 . 25122 1 138 . 1 1 15 15 GLY HA3 H 1 4.059 0.020 . 2 . . . A 15 GLY HA3 . 25122 1 139 . 1 1 15 15 GLY CA C 13 44.309 0.3 . 1 . . . A 15 GLY CA . 25122 1 140 . 1 1 16 16 CYS H H 1 8.751 0.020 . 1 . . . A 16 CYS H . 25122 1 141 . 1 1 16 16 CYS HA H 1 4.865 0.020 . 1 . . . A 16 CYS HA . 25122 1 142 . 1 1 16 16 CYS HB2 H 1 3.190 0.020 . 2 . . . A 16 CYS HB2 . 25122 1 143 . 1 1 16 16 CYS HB3 H 1 2.448 0.020 . 2 . . . A 16 CYS HB3 . 25122 1 144 . 1 1 16 16 CYS CB C 13 46.306 0.3 . 1 . . . A 16 CYS CB . 25122 1 145 . 1 1 17 17 SER H H 1 9.676 0.020 . 1 . . . A 17 SER H . 25122 1 146 . 1 1 17 17 SER HA H 1 4.370 0.020 . 1 . . . A 17 SER HA . 25122 1 147 . 1 1 17 17 SER HB2 H 1 3.900 0.020 . 1 . . . A 17 SER HB2 . 25122 1 148 . 1 1 17 17 SER HB3 H 1 3.900 0.020 . 1 . . . A 17 SER HB3 . 25122 1 149 . 1 1 17 17 SER CA C 13 60.383 0.3 . 1 . . . A 17 SER CA . 25122 1 150 . 1 1 17 17 SER CB C 13 63.143 0.3 . 1 . . . A 17 SER CB . 25122 1 151 . 1 1 18 18 SER H H 1 7.584 0.020 . 1 . . . A 18 SER H . 25122 1 152 . 1 1 18 18 SER HA H 1 4.588 0.020 . 1 . . . A 18 SER HA . 25122 1 153 . 1 1 18 18 SER HB2 H 1 3.844 0.020 . 2 . . . A 18 SER HB2 . 25122 1 154 . 1 1 18 18 SER HB3 H 1 3.675 0.020 . 2 . . . A 18 SER HB3 . 25122 1 155 . 1 1 18 18 SER CA C 13 58.071 0.3 . 1 . . . A 18 SER CA . 25122 1 156 . 1 1 18 18 SER CB C 13 65.980 0.3 . 1 . . . A 18 SER CB . 25122 1 157 . 1 1 19 19 GLY H H 1 8.248 0.020 . 1 . . . A 19 GLY H . 25122 1 158 . 1 1 19 19 GLY HA2 H 1 4.030 0.020 . 2 . . . A 19 GLY HA2 . 25122 1 159 . 1 1 19 19 GLY HA3 H 1 3.804 0.020 . 2 . . . A 19 GLY HA3 . 25122 1 160 . 1 1 19 19 GLY CA C 13 45.178 0.3 . 1 . . . A 19 GLY CA . 25122 1 161 . 1 1 20 20 LYS H H 1 8.045 0.020 . 1 . . . A 20 LYS H . 25122 1 162 . 1 1 20 20 LYS HA H 1 4.617 0.020 . 1 . . . A 20 LYS HA . 25122 1 163 . 1 1 20 20 LYS HB2 H 1 1.750 0.020 . 2 . . . A 20 LYS HB2 . 25122 1 164 . 1 1 20 20 LYS HB3 H 1 1.683 0.020 . 2 . . . A 20 LYS HB3 . 25122 1 165 . 1 1 20 20 LYS HG2 H 1 1.389 0.020 . 1 . . . A 20 LYS HG2 . 25122 1 166 . 1 1 20 20 LYS HG3 H 1 1.389 0.020 . 1 . . . A 20 LYS HG3 . 25122 1 167 . 1 1 20 20 LYS HD2 H 1 1.637 0.020 . 1 . . . A 20 LYS HD2 . 25122 1 168 . 1 1 20 20 LYS HD3 H 1 1.637 0.020 . 1 . . . A 20 LYS HD3 . 25122 1 169 . 1 1 20 20 LYS HE2 H 1 2.942 0.020 . 1 . . . A 20 LYS HE2 . 25122 1 170 . 1 1 20 20 LYS HE3 H 1 2.942 0.020 . 1 . . . A 20 LYS HE3 . 25122 1 171 . 1 1 20 20 LYS HZ1 H 1 7.600 0.020 . 1 . . . A 20 LYS HZ1 . 25122 1 172 . 1 1 20 20 LYS HZ2 H 1 7.600 0.020 . 1 . . . A 20 LYS HZ2 . 25122 1 173 . 1 1 20 20 LYS HZ3 H 1 7.600 0.020 . 1 . . . A 20 LYS HZ3 . 25122 1 174 . 1 1 20 20 LYS CA C 13 53.902 0.3 . 1 . . . A 20 LYS CA . 25122 1 175 . 1 1 20 20 LYS CB C 13 35.978 0.3 . 1 . . . A 20 LYS CB . 25122 1 176 . 1 1 20 20 LYS CG C 13 24.528 0.3 . 1 . . . A 20 LYS CG . 25122 1 177 . 1 1 20 20 LYS CD C 13 29.250 0.3 . 1 . . . A 20 LYS CD . 25122 1 178 . 1 1 20 20 LYS CE C 13 42.153 0.3 . 1 . . . A 20 LYS CE . 25122 1 179 . 1 1 21 21 CYS H H 1 9.289 0.020 . 1 . . . A 21 CYS H . 25122 1 180 . 1 1 21 21 CYS HA H 1 4.518 0.020 . 1 . . . A 21 CYS HA . 25122 1 181 . 1 1 21 21 CYS HB2 H 1 3.080 0.020 . 2 . . . A 21 CYS HB2 . 25122 1 182 . 1 1 21 21 CYS HB3 H 1 2.819 0.020 . 2 . . . A 21 CYS HB3 . 25122 1 183 . 1 1 21 21 CYS CA C 13 58.036 0.3 . 1 . . . A 21 CYS CA . 25122 1 184 . 1 1 21 21 CYS CB C 13 40.579 0.3 . 1 . . . A 21 CYS CB . 25122 1 185 . 1 1 22 22 VAL H H 1 9.531 0.020 . 1 . . . A 22 VAL H . 25122 1 186 . 1 1 22 22 VAL HA H 1 4.274 0.020 . 1 . . . A 22 VAL HA . 25122 1 187 . 1 1 22 22 VAL HB H 1 2.030 0.020 . 1 . . . A 22 VAL HB . 25122 1 188 . 1 1 22 22 VAL HG11 H 1 0.964 0.020 . 1 . . . A 22 VAL HG11 . 25122 1 189 . 1 1 22 22 VAL HG12 H 1 0.964 0.020 . 1 . . . A 22 VAL HG12 . 25122 1 190 . 1 1 22 22 VAL HG13 H 1 0.964 0.020 . 1 . . . A 22 VAL HG13 . 25122 1 191 . 1 1 22 22 VAL HG21 H 1 0.964 0.020 . 1 . . . A 22 VAL HG21 . 25122 1 192 . 1 1 22 22 VAL HG22 H 1 0.964 0.020 . 1 . . . A 22 VAL HG22 . 25122 1 193 . 1 1 22 22 VAL HG23 H 1 0.964 0.020 . 1 . . . A 22 VAL HG23 . 25122 1 194 . 1 1 22 22 VAL CA C 13 62.232 0.3 . 1 . . . A 22 VAL CA . 25122 1 195 . 1 1 22 22 VAL CB C 13 34.834 0.3 . 1 . . . A 22 VAL CB . 25122 1 196 . 1 1 22 22 VAL CG1 C 13 20.867 0.3 . 1 . . . A 22 VAL CG1 . 25122 1 197 . 1 1 22 22 VAL CG2 C 13 20.867 0.3 . 1 . . . A 22 VAL CG2 . 25122 1 198 . 1 1 23 23 ASN H H 1 9.697 0.020 . 1 . . . A 23 ASN H . 25122 1 199 . 1 1 23 23 ASN HA H 1 4.383 0.020 . 1 . . . A 23 ASN HA . 25122 1 200 . 1 1 23 23 ASN HB2 H 1 3.119 0.020 . 2 . . . A 23 ASN HB2 . 25122 1 201 . 1 1 23 23 ASN HB3 H 1 2.800 0.020 . 2 . . . A 23 ASN HB3 . 25122 1 202 . 1 1 23 23 ASN HD21 H 1 7.006 0.020 . 1 . . . A 23 ASN HD21 . 25122 1 203 . 1 1 23 23 ASN HD22 H 1 7.812 0.020 . 1 . . . A 23 ASN HD22 . 25122 1 204 . 1 1 23 23 ASN CA C 13 54.267 0.3 . 1 . . . A 23 ASN CA . 25122 1 205 . 1 1 23 23 ASN CB C 13 37.274 0.3 . 1 . . . A 23 ASN CB . 25122 1 206 . 1 1 24 24 GLY H H 1 8.451 0.020 . 1 . . . A 24 GLY H . 25122 1 207 . 1 1 24 24 GLY HA2 H 1 4.170 0.020 . 2 . . . A 24 GLY HA2 . 25122 1 208 . 1 1 24 24 GLY HA3 H 1 3.577 0.020 . 2 . . . A 24 GLY HA3 . 25122 1 209 . 1 1 24 24 GLY CA C 13 46.215 0.3 . 1 . . . A 24 GLY CA . 25122 1 210 . 1 1 25 25 ALA H H 1 8.037 0.020 . 1 . . . A 25 ALA H . 25122 1 211 . 1 1 25 25 ALA HA H 1 5.070 0.020 . 1 . . . A 25 ALA HA . 25122 1 212 . 1 1 25 25 ALA HB1 H 1 1.209 0.020 . 1 . . . A 25 ALA HB1 . 25122 1 213 . 1 1 25 25 ALA HB2 H 1 1.209 0.020 . 1 . . . A 25 ALA HB2 . 25122 1 214 . 1 1 25 25 ALA HB3 H 1 1.209 0.020 . 1 . . . A 25 ALA HB3 . 25122 1 215 . 1 1 25 25 ALA CB C 13 22.146 0.3 . 1 . . . A 25 ALA CB . 25122 1 216 . 1 1 26 26 CYS H H 1 8.901 0.020 . 1 . . . A 26 CYS H . 25122 1 217 . 1 1 26 26 CYS HA H 1 4.752 0.020 . 1 . . . A 26 CYS HA . 25122 1 218 . 1 1 26 26 CYS HB2 H 1 3.430 0.020 . 2 . . . A 26 CYS HB2 . 25122 1 219 . 1 1 26 26 CYS HB3 H 1 2.926 0.020 . 2 . . . A 26 CYS HB3 . 25122 1 220 . 1 1 26 26 CYS CA C 13 55.273 0.3 . 1 . . . A 26 CYS CA . 25122 1 221 . 1 1 26 26 CYS CB C 13 40.496 0.3 . 1 . . . A 26 CYS CB . 25122 1 222 . 1 1 27 27 ASP H H 1 9.766 0.020 . 1 . . . A 27 ASP H . 25122 1 223 . 1 1 27 27 ASP HA H 1 4.886 0.020 . 1 . . . A 27 ASP HA . 25122 1 224 . 1 1 27 27 ASP HB2 H 1 3.136 0.020 . 2 . . . A 27 ASP HB2 . 25122 1 225 . 1 1 27 27 ASP HB3 H 1 2.830 0.020 . 2 . . . A 27 ASP HB3 . 25122 1 226 . 1 1 27 27 ASP CB C 13 40.549 0.3 . 1 . . . A 27 ASP CB . 25122 1 227 . 1 1 28 28 CYS H H 1 9.651 0.020 . 1 . . . A 28 CYS H . 25122 1 228 . 1 1 28 28 CYS HA H 1 4.762 0.020 . 1 . . . A 28 CYS HA . 25122 1 229 . 1 1 28 28 CYS HB2 H 1 3.669 0.020 . 2 . . . A 28 CYS HB2 . 25122 1 230 . 1 1 28 28 CYS HB3 H 1 3.059 0.020 . 2 . . . A 28 CYS HB3 . 25122 1 231 . 1 1 28 28 CYS CA C 13 53.834 0.3 . 1 . . . A 28 CYS CA . 25122 1 232 . 1 1 28 28 CYS CB C 13 41.376 0.3 . 1 . . . A 28 CYS CB . 25122 1 233 . 1 1 29 29 SER H H 1 8.585 0.020 . 1 . . . A 29 SER H . 25122 1 234 . 1 1 29 29 SER HA H 1 4.322 0.020 . 1 . . . A 29 SER HA . 25122 1 235 . 1 1 29 29 SER HB2 H 1 3.957 0.020 . 1 . . . A 29 SER HB2 . 25122 1 236 . 1 1 29 29 SER HB3 H 1 3.957 0.020 . 1 . . . A 29 SER HB3 . 25122 1 237 . 1 1 29 29 SER CA C 13 59.527 0.3 . 1 . . . A 29 SER CA . 25122 1 238 . 1 1 29 29 SER CB C 13 63.903 0.3 . 1 . . . A 29 SER CB . 25122 1 stop_ save_