################################### # 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 30067 _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 $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 2 '2D 1H-13C HSQC aliphatic' . . . 30067 1 3 '2D 1H-13C HSQC aromatic' . . . 30067 1 6 '3D 1H-15N NOESY' . . . 30067 1 7 '3D 1H-15N TOCSY' . . . 30067 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 $software_5 . . 30067 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 4.51 0.02 . 1 . . . A 1 CYS HA . 30067 1 2 . 1 1 1 1 CYS HB2 H 1 3.45 0.02 . 2 . . . A 1 CYS HB2 . 30067 1 3 . 1 1 1 1 CYS HB3 H 1 3.82 0.02 . 2 . . . A 1 CYS HB3 . 30067 1 4 . 1 1 1 1 CYS CA C 13 55.0 0.2 . 1 . . . A 1 CYS CA . 30067 1 5 . 1 1 1 1 CYS CB C 13 48.3 0.2 . 1 . . . A 1 CYS CB . 30067 1 6 . 1 1 2 2 LYS H H 1 9.02 0.02 . 1 . . . A 2 LYS H . 30067 1 7 . 1 1 2 2 LYS HA H 1 5.47 0.02 . 1 . . . A 2 LYS HA . 30067 1 8 . 1 1 2 2 LYS HB2 H 1 1.83 0.02 . 2 . . . A 2 LYS HB2 . 30067 1 9 . 1 1 2 2 LYS HB3 H 1 1.76 0.02 . 2 . . . A 2 LYS HB3 . 30067 1 10 . 1 1 2 2 LYS HG2 H 1 1.39 0.02 . 2 . . . A 2 LYS HG2 . 30067 1 11 . 1 1 2 2 LYS HG3 H 1 1.39 0.02 . 2 . . . A 2 LYS HG3 . 30067 1 12 . 1 1 2 2 LYS HD2 H 1 1.65 0.02 . 2 . . . A 2 LYS HD2 . 30067 1 13 . 1 1 2 2 LYS HD3 H 1 1.65 0.02 . 2 . . . A 2 LYS HD3 . 30067 1 14 . 1 1 2 2 LYS HE2 H 1 2.91 0.02 . 2 . . . A 2 LYS HE2 . 30067 1 15 . 1 1 2 2 LYS HE3 H 1 2.91 0.02 . 2 . . . A 2 LYS HE3 . 30067 1 16 . 1 1 2 2 LYS CA C 13 55.5 0.2 . 1 . . . A 2 LYS CA . 30067 1 17 . 1 1 2 2 LYS CB C 13 27.4 0.2 . 1 . . . A 2 LYS CB . 30067 1 18 . 1 1 2 2 LYS CG C 13 25.2 0.2 . 1 . . . A 2 LYS CG . 30067 1 19 . 1 1 2 2 LYS CD C 13 29.2 0.2 . 1 . . . A 2 LYS CD . 30067 1 20 . 1 1 2 2 LYS N N 15 123.0 0.2 . 1 . . . A 2 LYS N . 30067 1 21 . 1 1 3 3 GLN H H 1 8.70 0.02 . 1 . . . A 3 GLN H . 30067 1 22 . 1 1 3 3 GLN HA H 1 4.72 0.02 . 1 . . . A 3 GLN HA . 30067 1 23 . 1 1 3 3 GLN HB2 H 1 2.10 0.02 . 2 . . . A 3 GLN HB2 . 30067 1 24 . 1 1 3 3 GLN HB3 H 1 1.72 0.02 . 2 . . . A 3 GLN HB3 . 30067 1 25 . 1 1 3 3 GLN HG2 H 1 2.34 0.02 . 2 . . . A 3 GLN HG2 . 30067 1 26 . 1 1 3 3 GLN HG3 H 1 2.10 0.02 . 2 . . . A 3 GLN HG3 . 30067 1 27 . 1 1 3 3 GLN HE21 H 1 7.03 0.02 . 2 . . . A 3 GLN HE21 . 30067 1 28 . 1 1 3 3 GLN HE22 H 1 6.80 0.02 . 2 . . . A 3 GLN HE22 . 30067 1 29 . 1 1 3 3 GLN CA C 13 55.0 0.2 . 1 . . . A 3 GLN CA . 30067 1 30 . 1 1 3 3 GLN CB C 13 29.1 0.2 . 1 . . . A 3 GLN CB . 30067 1 31 . 1 1 3 3 GLN CG C 13 33.7 0.2 . 1 . . . A 3 GLN CG . 30067 1 32 . 1 1 3 3 GLN N N 15 121.1 0.2 . 1 . . . A 3 GLN N . 30067 1 33 . 1 1 3 3 GLN NE2 N 15 109.4 0.2 . 1 . . . A 3 GLN NE2 . 30067 1 34 . 1 1 4 4 ARG H H 1 8.79 0.02 . 1 . . . A 4 ARG H . 30067 1 35 . 1 1 4 4 ARG HA H 1 5.52 0.02 . 1 . . . A 4 ARG HA . 30067 1 36 . 1 1 4 4 ARG HB2 H 1 1.88 0.02 . 2 . . . A 4 ARG HB2 . 30067 1 37 . 1 1 4 4 ARG HB3 H 1 1.73 0.02 . 2 . . . A 4 ARG HB3 . 30067 1 38 . 1 1 4 4 ARG HG2 H 1 1.59 0.02 . 2 . . . A 4 ARG HG2 . 30067 1 39 . 1 1 4 4 ARG HG3 H 1 1.54 0.02 . 2 . . . A 4 ARG HG3 . 30067 1 40 . 1 1 4 4 ARG HD2 H 1 3.21 0.02 . 2 . . . A 4 ARG HD2 . 30067 1 41 . 1 1 4 4 ARG HD3 H 1 3.21 0.02 . 2 . . . A 4 ARG HD3 . 30067 1 42 . 1 1 4 4 ARG HE H 1 7.25 0.02 . 1 . . . A 4 ARG HE . 30067 1 43 . 1 1 4 4 ARG CA C 13 54.9 0.2 . 1 . . . A 4 ARG CA . 30067 1 44 . 1 1 4 4 ARG CB C 13 32.3 0.2 . 1 . . . A 4 ARG CB . 30067 1 45 . 1 1 4 4 ARG CG C 13 27.7 0.2 . 1 . . . A 4 ARG CG . 30067 1 46 . 1 1 4 4 ARG N N 15 123.2 0.2 . 1 . . . A 4 ARG N . 30067 1 47 . 1 1 4 4 ARG NE N 15 84.5 0.2 . 1 . . . A 4 ARG NE . 30067 1 48 . 1 1 5 5 ARG H H 1 8.61 0.02 . 1 . . . A 5 ARG H . 30067 1 49 . 1 1 5 5 ARG HA H 1 4.95 0.02 . 1 . . . A 5 ARG HA . 30067 1 50 . 1 1 5 5 ARG HB2 H 1 2.17 0.02 . 2 . . . A 5 ARG HB2 . 30067 1 51 . 1 1 5 5 ARG HB3 H 1 1.61 0.02 . 2 . . . A 5 ARG HB3 . 30067 1 52 . 1 1 5 5 ARG HG2 H 1 1.49 0.02 . 2 . . . A 5 ARG HG2 . 30067 1 53 . 1 1 5 5 ARG HG3 H 1 1.70 0.02 . 2 . . . A 5 ARG HG3 . 30067 1 54 . 1 1 5 5 ARG HD2 H 1 3.60 0.02 . 2 . . . A 5 ARG HD2 . 30067 1 55 . 1 1 5 5 ARG HD3 H 1 3.33 0.02 . 2 . . . A 5 ARG HD3 . 30067 1 56 . 1 1 5 5 ARG HE H 1 7.23 0.02 . 1 . . . A 5 ARG HE . 30067 1 57 . 1 1 5 5 ARG CA C 13 53.1 0.2 . 1 . . . A 5 ARG CA . 30067 1 58 . 1 1 5 5 ARG CB C 13 35.7 0.2 . 1 . . . A 5 ARG CB . 30067 1 59 . 1 1 5 5 ARG CG C 13 25.3 0.2 . 1 . . . A 5 ARG CG . 30067 1 60 . 1 1 5 5 ARG CD C 13 42.6 0.2 . 1 . . . A 5 ARG CD . 30067 1 61 . 1 1 5 5 ARG N N 15 122.7 0.2 . 1 . . . A 5 ARG N . 30067 1 62 . 1 1 5 5 ARG NE N 15 83.9 0.2 . 1 . . . A 5 ARG NE . 30067 1 63 . 1 1 6 6 ARG H H 1 8.82 0.02 . 1 . . . A 6 ARG H . 30067 1 64 . 1 1 6 6 ARG HA H 1 5.25 0.02 . 1 . . . A 6 ARG HA . 30067 1 65 . 1 1 6 6 ARG HB2 H 1 1.87 0.02 . 2 . . . A 6 ARG HB2 . 30067 1 66 . 1 1 6 6 ARG HB3 H 1 1.78 0.02 . 2 . . . A 6 ARG HB3 . 30067 1 67 . 1 1 6 6 ARG HG2 H 1 1.72 0.02 . 2 . . . A 6 ARG HG2 . 30067 1 68 . 1 1 6 6 ARG HG3 H 1 1.61 0.02 . 2 . . . A 6 ARG HG3 . 30067 1 69 . 1 1 6 6 ARG CA C 13 55.4 0.2 . 1 . . . A 6 ARG CA . 30067 1 70 . 1 1 6 6 ARG CB C 13 32.3 0.2 . 1 . . . A 6 ARG CB . 30067 1 71 . 1 1 6 6 ARG CG C 13 27.6 0.2 . 1 . . . A 6 ARG CG . 30067 1 72 . 1 1 6 6 ARG N N 15 122.0 0.2 . 1 . . . A 6 ARG N . 30067 1 73 . 1 1 7 7 TYR H H 1 8.51 0.02 . 1 . . . A 7 TYR H . 30067 1 74 . 1 1 7 7 TYR HA H 1 4.40 0.02 . 1 . . . A 7 TYR HA . 30067 1 75 . 1 1 7 7 TYR HB2 H 1 2.47 0.02 . 2 . . . A 7 TYR HB2 . 30067 1 76 . 1 1 7 7 TYR HB3 H 1 2.81 0.02 . 2 . . . A 7 TYR HB3 . 30067 1 77 . 1 1 7 7 TYR HD1 H 1 6.42 0.02 . 3 . . . A 7 TYR HD1 . 30067 1 78 . 1 1 7 7 TYR HD2 H 1 6.42 0.02 . 3 . . . A 7 TYR HD2 . 30067 1 79 . 1 1 7 7 TYR HE1 H 1 6.36 0.02 . 3 . . . A 7 TYR HE1 . 30067 1 80 . 1 1 7 7 TYR HE2 H 1 6.36 0.02 . 3 . . . A 7 TYR HE2 . 30067 1 81 . 1 1 7 7 TYR CA C 13 56.7 0.2 . 1 . . . A 7 TYR CA . 30067 1 82 . 1 1 7 7 TYR CB C 13 43.2 0.2 . 1 . . . A 7 TYR CB . 30067 1 83 . 1 1 7 7 TYR N N 15 123.9 0.2 . 1 . . . A 7 TYR N . 30067 1 84 . 1 1 8 8 ARG H H 1 7.47 0.02 . 1 . . . A 8 ARG H . 30067 1 85 . 1 1 8 8 ARG HA H 1 5.08 0.02 . 1 . . . A 8 ARG HA . 30067 1 86 . 1 1 8 8 ARG HB2 H 1 1.60 0.02 . 2 . . . A 8 ARG HB2 . 30067 1 87 . 1 1 8 8 ARG HB3 H 1 1.43 0.02 . 2 . . . A 8 ARG HB3 . 30067 1 88 . 1 1 8 8 ARG HG2 H 1 1.49 0.02 . 2 . . . A 8 ARG HG2 . 30067 1 89 . 1 1 8 8 ARG HG3 H 1 1.38 0.02 . 2 . . . A 8 ARG HG3 . 30067 1 90 . 1 1 8 8 ARG HD2 H 1 3.12 0.02 . 2 . . . A 8 ARG HD2 . 30067 1 91 . 1 1 8 8 ARG HD3 H 1 3.12 0.02 . 2 . . . A 8 ARG HD3 . 30067 1 92 . 1 1 8 8 ARG CA C 13 53.8 0.2 . 1 . . . A 8 ARG CA . 30067 1 93 . 1 1 8 8 ARG CB C 13 30.4 0.2 . 1 . . . A 8 ARG CB . 30067 1 94 . 1 1 8 8 ARG CG C 13 26.9 0.2 . 1 . . . A 8 ARG CG . 30067 1 95 . 1 1 8 8 ARG N N 15 127.3 0.2 . 1 . . . A 8 ARG N . 30067 1 96 . 1 1 8 8 ARG NE N 15 84.6 0.2 . 1 . . . A 8 ARG NE . 30067 1 97 . 1 1 9 9 GLY H H 1 8.08 0.02 . 1 . . . A 9 GLY H . 30067 1 98 . 1 1 9 9 GLY HA2 H 1 4.11 0.02 . 2 . . . A 9 GLY HA2 . 30067 1 99 . 1 1 9 9 GLY HA3 H 1 4.11 0.02 . 2 . . . A 9 GLY HA3 . 30067 1 100 . 1 1 9 9 GLY CA C 13 45.1 0.2 . 1 . . . A 9 GLY CA . 30067 1 101 . 1 1 9 9 GLY N N 15 113.3 0.2 . 1 . . . A 9 GLY N . 30067 1 102 . 1 1 10 10 SER H H 1 8.38 0.02 . 1 . . . A 10 SER H . 30067 1 103 . 1 1 10 10 SER HA H 1 4.59 0.02 . 1 . . . A 10 SER HA . 30067 1 104 . 1 1 10 10 SER HB2 H 1 4.45 0.02 . 2 . . . A 10 SER HB2 . 30067 1 105 . 1 1 10 10 SER HB3 H 1 4.08 0.02 . 2 . . . A 10 SER HB3 . 30067 1 106 . 1 1 10 10 SER CA C 13 57.2 0.2 . 1 . . . A 10 SER CA . 30067 1 107 . 1 1 10 10 SER CB C 13 65.1 0.2 . 1 . . . A 10 SER CB . 30067 1 108 . 1 1 10 10 SER N N 15 112.5 0.2 . 1 . . . A 10 SER N . 30067 1 109 . 1 1 11 11 GLU H H 1 9.14 0.02 . 1 . . . A 11 GLU H . 30067 1 110 . 1 1 11 11 GLU CA C 13 58.3 0.2 . 1 . . . A 11 GLU CA . 30067 1 111 . 1 1 11 11 GLU N N 15 120.2 0.2 . 1 . . . A 11 GLU N . 30067 1 112 . 1 1 12 12 GLU H H 1 8.66 0.02 . 1 . . . A 12 GLU H . 30067 1 113 . 1 1 12 12 GLU HA H 1 4.14 0.02 . 1 . . . A 12 GLU HA . 30067 1 114 . 1 1 12 12 GLU HB2 H 1 2.00 0.02 . 2 . . . A 12 GLU HB2 . 30067 1 115 . 1 1 12 12 GLU HB3 H 1 2.16 0.02 . 2 . . . A 12 GLU HB3 . 30067 1 116 . 1 1 12 12 GLU HG2 H 1 2.43 0.02 . 2 . . . A 12 GLU HG2 . 30067 1 117 . 1 1 12 12 GLU HG3 H 1 2.40 0.02 . 2 . . . A 12 GLU HG3 . 30067 1 118 . 1 1 12 12 GLU CA C 13 59.5 0.2 . 1 . . . A 12 GLU CA . 30067 1 119 . 1 1 12 12 GLU CB C 13 29.0 0.2 . 1 . . . A 12 GLU CB . 30067 1 120 . 1 1 12 12 GLU CG C 13 35.3 0.2 . 1 . . . A 12 GLU CG . 30067 1 121 . 1 1 12 12 GLU N N 15 117.9 0.2 . 1 . . . A 12 GLU N . 30067 1 122 . 1 1 13 13 GLU H H 1 7.89 0.02 . 1 . . . A 13 GLU H . 30067 1 123 . 1 1 13 13 GLU HA H 1 4.02 0.02 . 1 . . . A 13 GLU HA . 30067 1 124 . 1 1 13 13 GLU HB2 H 1 2.27 0.02 . 2 . . . A 13 GLU HB2 . 30067 1 125 . 1 1 13 13 GLU HB3 H 1 2.18 0.02 . 2 . . . A 13 GLU HB3 . 30067 1 126 . 1 1 13 13 GLU HG2 H 1 2.53 0.02 . 2 . . . A 13 GLU HG2 . 30067 1 127 . 1 1 13 13 GLU HG3 H 1 2.53 0.02 . 2 . . . A 13 GLU HG3 . 30067 1 128 . 1 1 13 13 GLU CA C 13 59.2 0.2 . 1 . . . A 13 GLU CA . 30067 1 129 . 1 1 13 13 GLU CG C 13 34.7 0.2 . 1 . . . A 13 GLU CG . 30067 1 130 . 1 1 13 13 GLU N N 15 120.6 0.2 . 1 . . . A 13 GLU N . 30067 1 131 . 1 1 14 14 CYS H H 1 9.30 0.02 . 1 . . . A 14 CYS H . 30067 1 132 . 1 1 14 14 CYS HA H 1 3.62 0.02 . 1 . . . A 14 CYS HA . 30067 1 133 . 1 1 14 14 CYS HB2 H 1 3.27 0.02 . 2 . . . A 14 CYS HB2 . 30067 1 134 . 1 1 14 14 CYS HB3 H 1 3.75 0.02 . 2 . . . A 14 CYS HB3 . 30067 1 135 . 1 1 14 14 CYS CA C 13 59.0 0.2 . 1 . . . A 14 CYS CA . 30067 1 136 . 1 1 14 14 CYS N N 15 120.2 0.2 . 1 . . . A 14 CYS N . 30067 1 137 . 1 1 15 15 ARG H H 1 8.25 0.02 . 1 . . . A 15 ARG H . 30067 1 138 . 1 1 15 15 ARG HA H 1 4.13 0.02 . 1 . . . A 15 ARG HA . 30067 1 139 . 1 1 15 15 ARG HB2 H 1 2.01 0.02 . 2 . . . A 15 ARG HB2 . 30067 1 140 . 1 1 15 15 ARG HB3 H 1 2.01 0.02 . 2 . . . A 15 ARG HB3 . 30067 1 141 . 1 1 15 15 ARG HG2 H 1 1.88 0.02 . 2 . . . A 15 ARG HG2 . 30067 1 142 . 1 1 15 15 ARG HG3 H 1 1.68 0.02 . 2 . . . A 15 ARG HG3 . 30067 1 143 . 1 1 15 15 ARG HD2 H 1 3.30 0.02 . 2 . . . A 15 ARG HD2 . 30067 1 144 . 1 1 15 15 ARG HD3 H 1 3.30 0.02 . 2 . . . A 15 ARG HD3 . 30067 1 145 . 1 1 15 15 ARG HE H 1 7.50 0.02 . 1 . . . A 15 ARG HE . 30067 1 146 . 1 1 15 15 ARG CA C 13 59.5 0.2 . 1 . . . A 15 ARG CA . 30067 1 147 . 1 1 15 15 ARG CB C 13 32.9 0.2 . 1 . . . A 15 ARG CB . 30067 1 148 . 1 1 15 15 ARG N N 15 119.7 0.2 . 1 . . . A 15 ARG N . 30067 1 149 . 1 1 15 15 ARG NE N 15 84.1 0.2 . 1 . . . A 15 ARG NE . 30067 1 150 . 1 1 16 16 LYS H H 1 8.02 0.02 . 1 . . . A 16 LYS H . 30067 1 151 . 1 1 16 16 LYS HA H 1 4.08 0.02 . 1 . . . A 16 LYS HA . 30067 1 152 . 1 1 16 16 LYS HB2 H 1 1.99 0.02 . 2 . . . A 16 LYS HB2 . 30067 1 153 . 1 1 16 16 LYS HB3 H 1 1.97 0.02 . 2 . . . A 16 LYS HB3 . 30067 1 154 . 1 1 16 16 LYS HG2 H 1 1.81 0.02 . 2 . . . A 16 LYS HG2 . 30067 1 155 . 1 1 16 16 LYS HG3 H 1 1.66 0.02 . 2 . . . A 16 LYS HG3 . 30067 1 156 . 1 1 16 16 LYS CA C 13 59.3 0.2 . 1 . . . A 16 LYS CA . 30067 1 157 . 1 1 16 16 LYS CB C 13 31.3 0.2 . 1 . . . A 16 LYS CB . 30067 1 158 . 1 1 16 16 LYS CG C 13 27.5 0.2 . 1 . . . A 16 LYS CG . 30067 1 159 . 1 1 16 16 LYS N N 15 120.2 0.2 . 1 . . . A 16 LYS N . 30067 1 160 . 1 1 17 17 TYR H H 1 8.04 0.02 . 1 . . . A 17 TYR H . 30067 1 161 . 1 1 17 17 TYR HA H 1 4.18 0.02 . 1 . . . A 17 TYR HA . 30067 1 162 . 1 1 17 17 TYR HB2 H 1 2.45 0.02 . 2 . . . A 17 TYR HB2 . 30067 1 163 . 1 1 17 17 TYR HB3 H 1 2.45 0.02 . 2 . . . A 17 TYR HB3 . 30067 1 164 . 1 1 17 17 TYR HD1 H 1 6.70 0.02 . 3 . . . A 17 TYR HD1 . 30067 1 165 . 1 1 17 17 TYR HD2 H 1 6.70 0.02 . 3 . . . A 17 TYR HD2 . 30067 1 166 . 1 1 17 17 TYR HE1 H 1 6.59 0.02 . 3 . . . A 17 TYR HE1 . 30067 1 167 . 1 1 17 17 TYR HE2 H 1 6.59 0.02 . 3 . . . A 17 TYR HE2 . 30067 1 168 . 1 1 17 17 TYR CA C 13 60.6 0.2 . 1 . . . A 17 TYR CA . 30067 1 169 . 1 1 17 17 TYR CB C 13 38.8 0.2 . 1 . . . A 17 TYR CB . 30067 1 170 . 1 1 17 17 TYR N N 15 120.8 0.2 . 1 . . . A 17 TYR N . 30067 1 171 . 1 1 18 18 ALA H H 1 8.12 0.02 . 1 . . . A 18 ALA H . 30067 1 172 . 1 1 18 18 ALA HA H 1 3.54 0.02 . 1 . . . A 18 ALA HA . 30067 1 173 . 1 1 18 18 ALA HB1 H 1 1.52 0.02 . 1 . . . A 18 ALA HB1 . 30067 1 174 . 1 1 18 18 ALA HB2 H 1 1.52 0.02 . 1 . . . A 18 ALA HB2 . 30067 1 175 . 1 1 18 18 ALA HB3 H 1 1.52 0.02 . 1 . . . A 18 ALA HB3 . 30067 1 176 . 1 1 18 18 ALA CA C 13 55.5 0.2 . 1 . . . A 18 ALA CA . 30067 1 177 . 1 1 18 18 ALA CB C 13 18.3 0.2 . 1 . . . A 18 ALA CB . 30067 1 178 . 1 1 18 18 ALA N N 15 120.6 0.2 . 1 . . . A 18 ALA N . 30067 1 179 . 1 1 19 19 GLU H H 1 8.10 0.02 . 1 . . . A 19 GLU H . 30067 1 180 . 1 1 19 19 GLU HA H 1 4.04 0.02 . 1 . . . A 19 GLU HA . 30067 1 181 . 1 1 19 19 GLU HB2 H 1 2.16 0.02 . 2 . . . A 19 GLU HB2 . 30067 1 182 . 1 1 19 19 GLU HB3 H 1 2.16 0.02 . 2 . . . A 19 GLU HB3 . 30067 1 183 . 1 1 19 19 GLU HG2 H 1 2.43 0.02 . 2 . . . A 19 GLU HG2 . 30067 1 184 . 1 1 19 19 GLU HG3 H 1 2.43 0.02 . 2 . . . A 19 GLU HG3 . 30067 1 185 . 1 1 19 19 GLU CA C 13 59.2 0.2 . 1 . . . A 19 GLU CA . 30067 1 186 . 1 1 19 19 GLU CB C 13 28.3 0.2 . 1 . . . A 19 GLU CB . 30067 1 187 . 1 1 19 19 GLU CG C 13 35.4 0.2 . 1 . . . A 19 GLU CG . 30067 1 188 . 1 1 19 19 GLU N N 15 118.3 0.2 . 1 . . . A 19 GLU N . 30067 1 189 . 1 1 20 20 GLU H H 1 8.22 0.02 . 1 . . . A 20 GLU H . 30067 1 190 . 1 1 20 20 GLU HA H 1 4.06 0.02 . 1 . . . A 20 GLU HA . 30067 1 191 . 1 1 20 20 GLU HB2 H 1 2.19 0.02 . 2 . . . A 20 GLU HB2 . 30067 1 192 . 1 1 20 20 GLU HB3 H 1 2.06 0.02 . 2 . . . A 20 GLU HB3 . 30067 1 193 . 1 1 20 20 GLU HG2 H 1 2.41 0.02 . 2 . . . A 20 GLU HG2 . 30067 1 194 . 1 1 20 20 GLU HG3 H 1 2.47 0.02 . 2 . . . A 20 GLU HG3 . 30067 1 195 . 1 1 20 20 GLU CA C 13 59.1 0.2 . 1 . . . A 20 GLU CA . 30067 1 196 . 1 1 20 20 GLU N N 15 120.4 0.2 . 1 . . . A 20 GLU N . 30067 1 197 . 1 1 21 21 LEU H H 1 8.47 0.02 . 1 . . . A 21 LEU H . 30067 1 198 . 1 1 21 21 LEU HA H 1 3.97 0.02 . 1 . . . A 21 LEU HA . 30067 1 199 . 1 1 21 21 LEU HB2 H 1 1.23 0.02 . 2 . . . A 21 LEU HB2 . 30067 1 200 . 1 1 21 21 LEU HB3 H 1 1.34 0.02 . 2 . . . A 21 LEU HB3 . 30067 1 201 . 1 1 21 21 LEU HG H 1 1.26 0.02 . 1 . . . A 21 LEU HG . 30067 1 202 . 1 1 21 21 LEU HD11 H 1 0.66 0.02 . 2 . . . A 21 LEU HD11 . 30067 1 203 . 1 1 21 21 LEU HD12 H 1 0.66 0.02 . 2 . . . A 21 LEU HD12 . 30067 1 204 . 1 1 21 21 LEU HD13 H 1 0.66 0.02 . 2 . . . A 21 LEU HD13 . 30067 1 205 . 1 1 21 21 LEU HD21 H 1 0.66 0.02 . 2 . . . A 21 LEU HD21 . 30067 1 206 . 1 1 21 21 LEU HD22 H 1 0.66 0.02 . 2 . . . A 21 LEU HD22 . 30067 1 207 . 1 1 21 21 LEU HD23 H 1 0.66 0.02 . 2 . . . A 21 LEU HD23 . 30067 1 208 . 1 1 21 21 LEU CA C 13 57.4 0.2 . 1 . . . A 21 LEU CA . 30067 1 209 . 1 1 21 21 LEU CB C 13 41.5 0.2 . 1 . . . A 21 LEU CB . 30067 1 210 . 1 1 21 21 LEU CG C 13 26.7 0.2 . 1 . . . A 21 LEU CG . 30067 1 211 . 1 1 21 21 LEU CD1 C 13 24.2 0.2 . 2 . . . A 21 LEU CD1 . 30067 1 212 . 1 1 21 21 LEU CD2 C 13 24.2 0.2 . 2 . . . A 21 LEU CD2 . 30067 1 213 . 1 1 21 21 LEU N N 15 120.4 0.2 . 1 . . . A 21 LEU N . 30067 1 214 . 1 1 22 22 SER H H 1 8.48 0.02 . 1 . . . A 22 SER H . 30067 1 215 . 1 1 22 22 SER HA H 1 4.41 0.02 . 1 . . . A 22 SER HA . 30067 1 216 . 1 1 22 22 SER HB2 H 1 4.09 0.02 . 2 . . . A 22 SER HB2 . 30067 1 217 . 1 1 22 22 SER HB3 H 1 3.99 0.02 . 2 . . . A 22 SER HB3 . 30067 1 218 . 1 1 22 22 SER CA C 13 61.4 0.2 . 1 . . . A 22 SER CA . 30067 1 219 . 1 1 22 22 SER CB C 13 63.0 0.2 . 1 . . . A 22 SER CB . 30067 1 220 . 1 1 22 22 SER N N 15 118.2 0.2 . 1 . . . A 22 SER N . 30067 1 221 . 1 1 23 23 ARG H H 1 7.83 0.02 . 1 . . . A 23 ARG H . 30067 1 222 . 1 1 23 23 ARG HA H 1 4.10 0.02 . 1 . . . A 23 ARG HA . 30067 1 223 . 1 1 23 23 ARG HB2 H 1 1.99 0.02 . 2 . . . A 23 ARG HB2 . 30067 1 224 . 1 1 23 23 ARG HB3 H 1 1.99 0.02 . 2 . . . A 23 ARG HB3 . 30067 1 225 . 1 1 23 23 ARG HG2 H 1 1.83 0.02 . 2 . . . A 23 ARG HG2 . 30067 1 226 . 1 1 23 23 ARG HG3 H 1 1.69 0.02 . 2 . . . A 23 ARG HG3 . 30067 1 227 . 1 1 23 23 ARG HD2 H 1 3.26 0.02 . 2 . . . A 23 ARG HD2 . 30067 1 228 . 1 1 23 23 ARG HD3 H 1 3.26 0.02 . 2 . . . A 23 ARG HD3 . 30067 1 229 . 1 1 23 23 ARG HE H 1 7.41 0.02 . 1 . . . A 23 ARG HE . 30067 1 230 . 1 1 23 23 ARG CA C 13 59.3 0.2 . 1 . . . A 23 ARG CA . 30067 1 231 . 1 1 23 23 ARG CB C 13 30.0 0.2 . 1 . . . A 23 ARG CB . 30067 1 232 . 1 1 23 23 ARG CG C 13 27.4 0.2 . 1 . . . A 23 ARG CG . 30067 1 233 . 1 1 23 23 ARG N N 15 121.3 0.2 . 1 . . . A 23 ARG N . 30067 1 234 . 1 1 23 23 ARG NE N 15 84.1 0.2 . 1 . . . A 23 ARG NE . 30067 1 235 . 1 1 24 24 ARG H H 1 8.03 0.02 . 1 . . . A 24 ARG H . 30067 1 236 . 1 1 24 24 ARG HA H 1 4.20 0.02 . 1 . . . A 24 ARG HA . 30067 1 237 . 1 1 24 24 ARG HB2 H 1 1.97 0.02 . 2 . . . A 24 ARG HB2 . 30067 1 238 . 1 1 24 24 ARG HB3 H 1 1.97 0.02 . 2 . . . A 24 ARG HB3 . 30067 1 239 . 1 1 24 24 ARG HG2 H 1 1.83 0.02 . 2 . . . A 24 ARG HG2 . 30067 1 240 . 1 1 24 24 ARG HG3 H 1 1.66 0.02 . 2 . . . A 24 ARG HG3 . 30067 1 241 . 1 1 24 24 ARG HD2 H 1 3.22 0.02 . 2 . . . A 24 ARG HD2 . 30067 1 242 . 1 1 24 24 ARG HD3 H 1 3.22 0.02 . 2 . . . A 24 ARG HD3 . 30067 1 243 . 1 1 24 24 ARG HE H 1 7.46 0.02 . 1 . . . A 24 ARG HE . 30067 1 244 . 1 1 24 24 ARG CA C 13 58.7 0.2 . 1 . . . A 24 ARG CA . 30067 1 245 . 1 1 24 24 ARG CD C 13 43.3 0.2 . 1 . . . A 24 ARG CD . 30067 1 246 . 1 1 24 24 ARG N N 15 116.7 0.2 . 1 . . . A 24 ARG N . 30067 1 247 . 1 1 24 24 ARG NE N 15 84.0 0.2 . 1 . . . A 24 ARG NE . 30067 1 248 . 1 1 25 25 THR H H 1 8.02 0.02 . 1 . . . A 25 THR H . 30067 1 249 . 1 1 25 25 THR HA H 1 4.33 0.02 . 1 . . . A 25 THR HA . 30067 1 250 . 1 1 25 25 THR HB H 1 4.24 0.02 . 1 . . . A 25 THR HB . 30067 1 251 . 1 1 25 25 THR HG21 H 1 1.27 0.02 . 1 . . . A 25 THR HG21 . 30067 1 252 . 1 1 25 25 THR HG22 H 1 1.27 0.02 . 1 . . . A 25 THR HG22 . 30067 1 253 . 1 1 25 25 THR HG23 H 1 1.27 0.02 . 1 . . . A 25 THR HG23 . 30067 1 254 . 1 1 25 25 THR CB C 13 71.9 0.2 . 1 . . . A 25 THR CB . 30067 1 255 . 1 1 25 25 THR CG2 C 13 21.4 0.2 . 1 . . . A 25 THR CG2 . 30067 1 256 . 1 1 25 25 THR N N 15 105.6 0.2 . 1 . . . A 25 THR N . 30067 1 257 . 1 1 26 26 GLY H H 1 8.19 0.02 . 1 . . . A 26 GLY H . 30067 1 258 . 1 1 26 26 GLY HA2 H 1 4.16 0.02 . 2 . . . A 26 GLY HA2 . 30067 1 259 . 1 1 26 26 GLY HA3 H 1 3.93 0.02 . 2 . . . A 26 GLY HA3 . 30067 1 260 . 1 1 26 26 GLY CA C 13 45.8 0.2 . 1 . . . A 26 GLY CA . 30067 1 261 . 1 1 26 26 GLY N N 15 110.5 0.2 . 1 . . . A 26 GLY N . 30067 1 262 . 1 1 27 27 CYS H H 1 7.99 0.02 . 1 . . . A 27 CYS H . 30067 1 263 . 1 1 27 27 CYS HA H 1 5.01 0.02 . 1 . . . A 27 CYS HA . 30067 1 264 . 1 1 27 27 CYS HB2 H 1 2.84 0.02 . 2 . . . A 27 CYS HB2 . 30067 1 265 . 1 1 27 27 CYS HB3 H 1 2.44 0.02 . 2 . . . A 27 CYS HB3 . 30067 1 266 . 1 1 27 27 CYS CA C 13 52.4 0.2 . 1 . . . A 27 CYS CA . 30067 1 267 . 1 1 27 27 CYS CB C 13 41.8 0.2 . 1 . . . A 27 CYS CB . 30067 1 268 . 1 1 27 27 CYS N N 15 116.7 0.2 . 1 . . . A 27 CYS N . 30067 1 269 . 1 1 28 28 GLU H H 1 8.25 0.02 . 1 . . . A 28 GLU H . 30067 1 270 . 1 1 28 28 GLU N N 15 121.6 0.2 . 1 . . . A 28 GLU N . 30067 1 271 . 1 1 29 29 VAL H H 1 8.55 0.02 . 1 . . . A 29 VAL H . 30067 1 272 . 1 1 29 29 VAL HA H 1 4.77 0.02 . 1 . . . A 29 VAL HA . 30067 1 273 . 1 1 29 29 VAL HB H 1 1.88 0.02 . 1 . . . A 29 VAL HB . 30067 1 274 . 1 1 29 29 VAL HG11 H 1 0.69 0.02 . 2 . . . A 29 VAL HG11 . 30067 1 275 . 1 1 29 29 VAL HG12 H 1 0.69 0.02 . 2 . . . A 29 VAL HG12 . 30067 1 276 . 1 1 29 29 VAL HG13 H 1 0.69 0.02 . 2 . . . A 29 VAL HG13 . 30067 1 277 . 1 1 29 29 VAL HG21 H 1 0.66 0.02 . 2 . . . A 29 VAL HG21 . 30067 1 278 . 1 1 29 29 VAL HG22 H 1 0.66 0.02 . 2 . . . A 29 VAL HG22 . 30067 1 279 . 1 1 29 29 VAL HG23 H 1 0.66 0.02 . 2 . . . A 29 VAL HG23 . 30067 1 280 . 1 1 29 29 VAL CB C 13 33.8 0.2 . 1 . . . A 29 VAL CB . 30067 1 281 . 1 1 29 29 VAL CG1 C 13 21.6 0.2 . 2 . . . A 29 VAL CG1 . 30067 1 282 . 1 1 29 29 VAL CG2 C 13 20.8 0.2 . 2 . . . A 29 VAL CG2 . 30067 1 283 . 1 1 29 29 VAL N N 15 125.7 0.2 . 1 . . . A 29 VAL N . 30067 1 284 . 1 1 30 30 GLU H H 1 8.66 0.02 . 1 . . . A 30 GLU H . 30067 1 285 . 1 1 30 30 GLU HA H 1 4.64 0.02 . 1 . . . A 30 GLU HA . 30067 1 286 . 1 1 30 30 GLU HB2 H 1 2.02 0.02 . 2 . . . A 30 GLU HB2 . 30067 1 287 . 1 1 30 30 GLU HB3 H 1 2.02 0.02 . 2 . . . A 30 GLU HB3 . 30067 1 288 . 1 1 30 30 GLU HG2 H 1 2.33 0.02 . 2 . . . A 30 GLU HG2 . 30067 1 289 . 1 1 30 30 GLU HG3 H 1 2.23 0.02 . 2 . . . A 30 GLU HG3 . 30067 1 290 . 1 1 30 30 GLU CA C 13 54.3 0.2 . 1 . . . A 30 GLU CA . 30067 1 291 . 1 1 30 30 GLU N N 15 127.5 0.2 . 1 . . . A 30 GLU N . 30067 1 292 . 1 1 31 31 VAL H H 1 8.87 9.02 . 1 . . . A 31 VAL H . 30067 1 293 . 1 1 31 31 VAL HA H 1 4.98 0.02 . 1 . . . A 31 VAL HA . 30067 1 294 . 1 1 31 31 VAL HB H 1 1.98 0.02 . 1 . . . A 31 VAL HB . 30067 1 295 . 1 1 31 31 VAL HG11 H 1 0.95 0.02 . 2 . . . A 31 VAL HG11 . 30067 1 296 . 1 1 31 31 VAL HG12 H 1 0.95 0.02 . 2 . . . A 31 VAL HG12 . 30067 1 297 . 1 1 31 31 VAL HG13 H 1 0.95 0.02 . 2 . . . A 31 VAL HG13 . 30067 1 298 . 1 1 31 31 VAL HG21 H 1 0.91 0.02 . 2 . . . A 31 VAL HG21 . 30067 1 299 . 1 1 31 31 VAL HG22 H 1 0.91 0.02 . 2 . . . A 31 VAL HG22 . 30067 1 300 . 1 1 31 31 VAL HG23 H 1 0.91 0.02 . 2 . . . A 31 VAL HG23 . 30067 1 301 . 1 1 31 31 VAL CG1 C 13 22.2 0.2 . 2 . . . A 31 VAL CG1 . 30067 1 302 . 1 1 31 31 VAL CG2 C 13 23.4 0.2 . 2 . . . A 31 VAL CG2 . 30067 1 303 . 1 1 31 31 VAL N N 15 124.9 0.2 . 1 . . . A 31 VAL N . 30067 1 304 . 1 1 32 32 GLU H H 1 8.98 0.02 . 1 . . . A 32 GLU H . 30067 1 305 . 1 1 32 32 GLU HA H 1 5.22 0.02 . 1 . . . A 32 GLU HA . 30067 1 306 . 1 1 32 32 GLU HB2 H 1 2.09 0.02 . 2 . . . A 32 GLU HB2 . 30067 1 307 . 1 1 32 32 GLU HB3 H 1 2.00 0.02 . 2 . . . A 32 GLU HB3 . 30067 1 308 . 1 1 32 32 GLU HG2 H 1 2.33 0.02 . 2 . . . A 32 GLU HG2 . 30067 1 309 . 1 1 32 32 GLU HG3 H 1 2.25 0.02 . 2 . . . A 32 GLU HG3 . 30067 1 310 . 1 1 32 32 GLU CA C 13 54.8 0.2 . 1 . . . A 32 GLU CA . 30067 1 311 . 1 1 32 32 GLU N N 15 130.1 0.2 . 1 . . . A 32 GLU N . 30067 1 312 . 1 1 33 33 CYS H H 1 8.96 0.02 . 1 . . . A 33 CYS H . 30067 1 313 . 1 1 33 33 CYS HA H 1 5.22 0.02 . 1 . . . A 33 CYS HA . 30067 1 314 . 1 1 33 33 CYS HB2 H 1 2.98 0.02 . 2 . . . A 33 CYS HB2 . 30067 1 315 . 1 1 33 33 CYS HB3 H 1 3.26 0.02 . 2 . . . A 33 CYS HB3 . 30067 1 316 . 1 1 33 33 CYS CA C 13 55.2 0.2 . 1 . . . A 33 CYS CA . 30067 1 317 . 1 1 33 33 CYS CB C 13 39.8 0.2 . 1 . . . A 33 CYS CB . 30067 1 318 . 1 1 33 33 CYS N N 15 128.4 0.2 . 1 . . . A 33 CYS N . 30067 1 319 . 1 1 34 34 GLU H H 1 9.27 0.02 . 1 . . . A 34 GLU H . 30067 1 320 . 1 1 34 34 GLU HA H 1 4.75 0.02 . 1 . . . A 34 GLU HA . 30067 1 321 . 1 1 34 34 GLU HB2 H 1 1.94 0.02 . 2 . . . A 34 GLU HB2 . 30067 1 322 . 1 1 34 34 GLU HB3 H 1 1.94 0.02 . 2 . . . A 34 GLU HB3 . 30067 1 323 . 1 1 34 34 GLU HG2 H 1 2.38 0.02 . 2 . . . A 34 GLU HG2 . 30067 1 324 . 1 1 34 34 GLU HG3 H 1 2.14 0.02 . 2 . . . A 34 GLU HG3 . 30067 1 325 . 1 1 34 34 GLU CB C 13 31.3 0.2 . 1 . . . A 34 GLU CB . 30067 1 326 . 1 1 34 34 GLU N N 15 130.6 0.2 . 1 . . . A 34 GLU N . 30067 1 327 . 1 1 35 35 THR H H 1 7.96 0.02 . 1 . . . A 35 THR H . 30067 1 328 . 1 1 35 35 THR HA H 1 4.33 0.02 . 1 . . . A 35 THR HA . 30067 1 329 . 1 1 35 35 THR HB H 1 4.22 0.02 . 1 . . . A 35 THR HB . 30067 1 330 . 1 1 35 35 THR HG21 H 1 1.30 0.02 . 1 . . . A 35 THR HG21 . 30067 1 331 . 1 1 35 35 THR HG22 H 1 1.30 0.02 . 1 . . . A 35 THR HG22 . 30067 1 332 . 1 1 35 35 THR HG23 H 1 1.30 0.02 . 1 . . . A 35 THR HG23 . 30067 1 333 . 1 1 35 35 THR CB C 13 70.5 0.2 . 1 . . . A 35 THR CB . 30067 1 334 . 1 1 35 35 THR CG2 C 13 22.2 0.2 . 1 . . . A 35 THR CG2 . 30067 1 335 . 1 1 35 35 THR N N 15 120.0 0.2 . 1 . . . A 35 THR N . 30067 1 stop_ save_