################################### # 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 17891 _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 0.01 _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' . . . 17891 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 4.07 0.01 . 1 . . . A 1 LYS HA . 17891 1 2 . 1 1 1 1 LYS HB2 H 1 1.97 0.01 . 2 . . . A 1 LYS HB2 . 17891 1 3 . 1 1 1 1 LYS HB3 H 1 1.97 0.01 . 2 . . . A 1 LYS HB3 . 17891 1 4 . 1 1 1 1 LYS HG2 H 1 1.53 0.01 . 2 . . . A 1 LYS HG2 . 17891 1 5 . 1 1 1 1 LYS HG3 H 1 1.53 0.01 . 2 . . . A 1 LYS HG3 . 17891 1 6 . 1 1 1 1 LYS HD2 H 1 1.76 0.01 . 2 . . . A 1 LYS HD2 . 17891 1 7 . 1 1 1 1 LYS HD3 H 1 1.76 0.01 . 2 . . . A 1 LYS HD3 . 17891 1 8 . 1 1 1 1 LYS HE2 H 1 3.05 0.01 . 2 . . . A 1 LYS HE2 . 17891 1 9 . 1 1 1 1 LYS HE3 H 1 3.05 0.01 . 2 . . . A 1 LYS HE3 . 17891 1 10 . 1 1 1 1 LYS CA C 13 56.66 0.01 . 1 . . . A 1 LYS CA . 17891 1 11 . 1 1 1 1 LYS CB C 13 34.13 0.01 . 1 . . . A 1 LYS CB . 17891 1 12 . 1 1 1 1 LYS CG C 13 24.72 0.01 . 1 . . . A 1 LYS CG . 17891 1 13 . 1 1 1 1 LYS CD C 13 29.94 0.01 . 1 . . . A 1 LYS CD . 17891 1 14 . 1 1 1 1 LYS CE C 13 42.88 0.01 . 1 . . . A 1 LYS CE . 17891 1 15 . 1 1 2 2 LYS H H 1 8.62 0.01 . 1 . . . A 2 LYS H . 17891 1 16 . 1 1 2 2 LYS HA H 1 4.42 0.01 . 1 . . . A 2 LYS HA . 17891 1 17 . 1 1 2 2 LYS HB2 H 1 1.88 0.01 . 1 . . . A 2 LYS HB2 . 17891 1 18 . 1 1 2 2 LYS HB3 H 1 1.83 0.01 . 1 . . . A 2 LYS HB3 . 17891 1 19 . 1 1 2 2 LYS HD2 H 1 1.74 0.01 . 2 . . . A 2 LYS HD2 . 17891 1 20 . 1 1 2 2 LYS HD3 H 1 1.74 0.01 . 2 . . . A 2 LYS HD3 . 17891 1 21 . 1 1 2 2 LYS HE2 H 1 3.03 0.01 . 2 . . . A 2 LYS HE2 . 17891 1 22 . 1 1 2 2 LYS HE3 H 1 3.03 0.01 . 2 . . . A 2 LYS HE3 . 17891 1 23 . 1 1 2 2 LYS CA C 13 57.51 0.01 . 1 . . . A 2 LYS CA . 17891 1 24 . 1 1 2 2 LYS CB C 13 34.30 0.01 . 1 . . . A 2 LYS CB . 17891 1 25 . 1 1 2 2 LYS CD C 13 29.97 0.01 . 1 . . . A 2 LYS CD . 17891 1 26 . 1 1 2 2 LYS CE C 13 43.04 0.01 . 1 . . . A 2 LYS CE . 17891 1 27 . 1 1 3 3 GLY H H 1 8.21 0.01 . 1 . . . A 3 GLY H . 17891 1 28 . 1 1 3 3 GLY HA2 H 1 3.98 0.01 . 2 . . . A 3 GLY HA2 . 17891 1 29 . 1 1 3 3 GLY HA3 H 1 3.98 0.01 . 2 . . . A 3 GLY HA3 . 17891 1 30 . 1 1 3 3 GLY CA C 13 45.46 0.01 . 1 . . . A 3 GLY CA . 17891 1 31 . 1 1 4 4 PHE H H 1 7.97 0.01 . 1 . . . A 4 PHE H . 17891 1 32 . 1 1 4 4 PHE HA H 1 4.90 0.01 . 1 . . . A 4 PHE HA . 17891 1 33 . 1 1 4 4 PHE HB2 H 1 2.97 0.01 . 2 . . . A 4 PHE HB2 . 17891 1 34 . 1 1 4 4 PHE HB3 H 1 2.97 0.01 . 2 . . . A 4 PHE HB3 . 17891 1 35 . 1 1 4 4 PHE CA C 13 56.54 0.01 . 1 . . . A 4 PHE CA . 17891 1 36 . 1 1 4 4 PHE CB C 13 40.69 0.01 . 1 . . . A 4 PHE CB . 17891 1 37 . 1 1 5 5 PRO HA H 1 4.53 0.01 . 1 . . . A 5 PRO HA . 17891 1 38 . 1 1 5 5 PRO HB2 H 1 2.13 0.01 . 1 . . . A 5 PRO HB2 . 17891 1 39 . 1 1 5 5 PRO HB3 H 1 1.94 0.01 . 1 . . . A 5 PRO HB3 . 17891 1 40 . 1 1 5 5 PRO HG2 H 1 1.94 0.01 . 1 . . . A 5 PRO HG2 . 17891 1 41 . 1 1 5 5 PRO HG3 H 1 1.80 0.01 . 1 . . . A 5 PRO HG3 . 17891 1 42 . 1 1 5 5 PRO HD2 H 1 3.73 0.01 . 1 . . . A 5 PRO HD2 . 17891 1 43 . 1 1 5 5 PRO HD3 H 1 3.19 0.01 . 1 . . . A 5 PRO HD3 . 17891 1 44 . 1 1 5 5 PRO CA C 13 64.24 0.01 . 1 . . . A 5 PRO CA . 17891 1 45 . 1 1 5 5 PRO CB C 13 31.54 0.01 . 1 . . . A 5 PRO CB . 17891 1 46 . 1 1 5 5 PRO CG C 13 27.77 0.01 . 1 . . . A 5 PRO CG . 17891 1 47 . 1 1 5 5 PRO CD C 13 51.18 0.01 . 1 . . . A 5 PRO CD . 17891 1 48 . 1 1 6 6 PHE H H 1 7.54 0.01 . 1 . . . A 6 PHE H . 17891 1 49 . 1 1 6 6 PHE HA H 1 4.52 0.01 . 1 . . . A 6 PHE HA . 17891 1 50 . 1 1 6 6 PHE HB2 H 1 3.17 0.01 . 2 . . . A 6 PHE HB2 . 17891 1 51 . 1 1 6 6 PHE HB3 H 1 3.17 0.01 . 2 . . . A 6 PHE HB3 . 17891 1 52 . 1 1 6 6 PHE CA C 13 60.33 0.01 . 1 . . . A 6 PHE CA . 17891 1 53 . 1 1 6 6 PHE CB C 13 40.35 0.01 . 1 . . . A 6 PHE CB . 17891 1 54 . 1 1 7 7 SER H H 1 7.77 0.01 . 1 . . . A 7 SER H . 17891 1 55 . 1 1 7 7 SER HA H 1 4.28 0.01 . 1 . . . A 7 SER HA . 17891 1 56 . 1 1 7 7 SER HB2 H 1 4.00 0.01 . 1 . . . A 7 SER HB2 . 17891 1 57 . 1 1 7 7 SER HB3 H 1 3.96 0.01 . 1 . . . A 7 SER HB3 . 17891 1 58 . 1 1 7 7 SER CA C 13 61.14 0.01 . 1 . . . A 7 SER CA . 17891 1 59 . 1 1 7 7 SER CB C 13 64.20 0.01 . 1 . . . A 7 SER CB . 17891 1 60 . 1 1 8 8 ILE H H 1 7.62 0.01 . 1 . . . A 8 ILE H . 17891 1 61 . 1 1 8 8 ILE HA H 1 3.97 0.01 . 1 . . . A 8 ILE HA . 17891 1 62 . 1 1 8 8 ILE HB H 1 1.87 0.01 . 1 . . . A 8 ILE HB . 17891 1 63 . 1 1 8 8 ILE HG12 H 1 1.48 0.01 . 1 . . . A 8 ILE HG12 . 17891 1 64 . 1 1 8 8 ILE HG13 H 1 1.26 0.01 . 1 . . . A 8 ILE HG13 . 17891 1 65 . 1 1 8 8 ILE HG21 H 1 0.84 0.01 . 1 . . . A 8 ILE MG . 17891 1 66 . 1 1 8 8 ILE HG22 H 1 0.84 0.01 . 1 . . . A 8 ILE MG . 17891 1 67 . 1 1 8 8 ILE HG23 H 1 0.84 0.01 . 1 . . . A 8 ILE MG . 17891 1 68 . 1 1 8 8 ILE HD11 H 1 0.86 0.01 . 1 . . . A 8 ILE MD . 17891 1 69 . 1 1 8 8 ILE HD12 H 1 0.86 0.01 . 1 . . . A 8 ILE MD . 17891 1 70 . 1 1 8 8 ILE HD13 H 1 0.86 0.01 . 1 . . . A 8 ILE MD . 17891 1 71 . 1 1 8 8 ILE CA C 13 64.29 0.01 . 1 . . . A 8 ILE CA . 17891 1 72 . 1 1 8 8 ILE CB C 13 38.55 0.01 . 1 . . . A 8 ILE CB . 17891 1 73 . 1 1 8 8 ILE CG1 C 13 28.87 0.01 . 1 . . . A 8 ILE CG1 . 17891 1 74 . 1 1 8 8 ILE CG2 C 13 17.45 0.01 . 1 . . . A 8 ILE CG2 . 17891 1 75 . 1 1 8 8 ILE CD1 C 13 12.71 0.01 . 1 . . . A 8 ILE CD1 . 17891 1 76 . 1 1 9 9 PHE H H 1 7.42 0.01 . 1 . . . A 9 PHE H . 17891 1 77 . 1 1 9 9 PHE HA H 1 4.32 0.01 . 1 . . . A 9 PHE HA . 17891 1 78 . 1 1 9 9 PHE HB2 H 1 3.18 0.01 . 1 . . . A 9 PHE HB2 . 17891 1 79 . 1 1 9 9 PHE HB3 H 1 3.12 0.01 . 1 . . . A 9 PHE HB3 . 17891 1 80 . 1 1 9 9 PHE CA C 13 61.42 0.01 . 1 . . . A 9 PHE CA . 17891 1 81 . 1 1 9 9 PHE CB C 13 39.63 0.01 . 1 . . . A 9 PHE CB . 17891 1 82 . 1 1 10 10 LEU H H 1 7.80 0.01 . 1 . . . A 10 LEU H . 17891 1 83 . 1 1 10 10 LEU HA H 1 4.06 0.01 . 1 . . . A 10 LEU HA . 17891 1 84 . 1 1 10 10 LEU HB2 H 1 1.70 0.01 . 2 . . . A 10 LEU HB2 . 17891 1 85 . 1 1 10 10 LEU HB3 H 1 1.70 0.01 . 2 . . . A 10 LEU HB3 . 17891 1 86 . 1 1 10 10 LEU CA C 13 58.69 0.01 . 1 . . . A 10 LEU CA . 17891 1 87 . 1 1 10 10 LEU CB C 13 42.69 0.01 . 1 . . . A 10 LEU CB . 17891 1 88 . 1 1 11 11 LEU H H 1 7.72 0.01 . 1 . . . A 11 LEU H . 17891 1 89 . 1 1 11 11 LEU HA H 1 4.08 0.01 . 1 . . . A 11 LEU HA . 17891 1 90 . 1 1 11 11 LEU HB2 H 1 1.84 0.01 . 1 . . . A 11 LEU HB2 . 17891 1 91 . 1 1 11 11 LEU HB3 H 1 1.69 0.01 . 1 . . . A 11 LEU HB3 . 17891 1 92 . 1 1 11 11 LEU CA C 13 59.32 0.01 . 1 . . . A 11 LEU CA . 17891 1 93 . 1 1 11 11 LEU CB C 13 42.31 0.01 . 1 . . . A 11 LEU CB . 17891 1 94 . 1 1 12 12 ALA HA H 1 4.05 0.01 . 1 . . . A 12 ALA HA . 17891 1 95 . 1 1 12 12 ALA HB1 H 1 1.51 0.01 . 1 . . . A 12 ALA MB . 17891 1 96 . 1 1 12 12 ALA HB2 H 1 1.51 0.01 . 1 . . . A 12 ALA MB . 17891 1 97 . 1 1 12 12 ALA HB3 H 1 1.51 0.01 . 1 . . . A 12 ALA MB . 17891 1 98 . 1 1 12 12 ALA CA C 13 56.29 0.01 . 1 . . . A 12 ALA CA . 17891 1 99 . 1 1 12 12 ALA CB C 13 18.13 0.01 . 1 . . . A 12 ALA CB . 17891 1 100 . 1 1 13 13 LEU H H 1 8.11 0.01 . 1 . . . A 13 LEU H . 17891 1 101 . 1 1 13 13 LEU HA H 1 4.08 0.01 . 1 . . . A 13 LEU HA . 17891 1 102 . 1 1 13 13 LEU HB2 H 1 1.78 0.01 . 1 . . . A 13 LEU HB2 . 17891 1 103 . 1 1 13 13 LEU HB3 H 1 1.63 0.01 . 1 . . . A 13 LEU HB3 . 17891 1 104 . 1 1 13 13 LEU CA C 13 58.94 0.01 . 1 . . . A 13 LEU CA . 17891 1 105 . 1 1 13 13 LEU CB C 13 42.75 0.01 . 1 . . . A 13 LEU CB . 17891 1 106 . 1 1 14 14 LEU H H 1 8.67 0.01 . 1 . . . A 14 LEU H . 17891 1 107 . 1 1 14 14 LEU HA H 1 4.13 0.01 . 1 . . . A 14 LEU HA . 17891 1 108 . 1 1 14 14 LEU HB2 H 1 1.93 0.01 . 1 . . . A 14 LEU HB2 . 17891 1 109 . 1 1 14 14 LEU HB3 H 1 1.55 0.01 . 1 . . . A 14 LEU HB3 . 17891 1 110 . 1 1 14 14 LEU HD11 H 1 0.89 0.01 . 1 . . . A 14 LEU MD1 . 17891 1 111 . 1 1 14 14 LEU HD12 H 1 0.89 0.01 . 1 . . . A 14 LEU MD1 . 17891 1 112 . 1 1 14 14 LEU HD13 H 1 0.89 0.01 . 1 . . . A 14 LEU MD1 . 17891 1 113 . 1 1 14 14 LEU HD21 H 1 0.89 0.01 . 1 . . . A 14 LEU MD2 . 17891 1 114 . 1 1 14 14 LEU HD22 H 1 0.89 0.01 . 1 . . . A 14 LEU MD2 . 17891 1 115 . 1 1 14 14 LEU HD23 H 1 0.89 0.01 . 1 . . . A 14 LEU MD2 . 17891 1 116 . 1 1 14 14 LEU CA C 13 58.66 0.01 . 1 . . . A 14 LEU CA . 17891 1 117 . 1 1 14 14 LEU CB C 13 42.47 0.01 . 1 . . . A 14 LEU CB . 17891 1 118 . 1 1 15 15 SER H H 1 8.27 0.01 . 1 . . . A 15 SER H . 17891 1 119 . 1 1 15 15 SER HA H 1 4.27 0.01 . 1 . . . A 15 SER HA . 17891 1 120 . 1 1 15 15 SER HB2 H 1 4.14 0.01 . 1 . . . A 15 SER HB2 . 17891 1 121 . 1 1 15 15 SER HB3 H 1 4.02 0.01 . 1 . . . A 15 SER HB3 . 17891 1 122 . 1 1 15 15 SER CA C 13 62.57 0.01 . 1 . . . A 15 SER CA . 17891 1 123 . 1 1 15 15 SER CB C 13 63.88 0.01 . 1 . . . A 15 SER CB . 17891 1 124 . 1 1 16 16 CYS H H 1 7.85 0.01 . 1 . . . A 16 CYS H . 17891 1 125 . 1 1 16 16 CYS HA H 1 4.45 0.01 . 1 . . . A 16 CYS HA . 17891 1 126 . 1 1 16 16 CYS HB2 H 1 3.23 0.01 . 1 . . . A 16 CYS HB2 . 17891 1 127 . 1 1 16 16 CYS HB3 H 1 2.99 0.01 . 1 . . . A 16 CYS HB3 . 17891 1 128 . 1 1 16 16 CYS CA C 13 62.66 0.01 . 1 . . . A 16 CYS CA . 17891 1 129 . 1 1 16 16 CYS CB C 13 28.05 0.01 . 1 . . . A 16 CYS CB . 17891 1 130 . 1 1 17 17 ILE H H 1 7.95 0.01 . 1 . . . A 17 ILE H . 17891 1 131 . 1 1 17 17 ILE HA H 1 4.21 0.01 . 1 . . . A 17 ILE HA . 17891 1 132 . 1 1 17 17 ILE HB H 1 2.08 0.01 . 1 . . . A 17 ILE HB . 17891 1 133 . 1 1 17 17 ILE HG12 H 1 1.64 0.01 . 1 . . . A 17 ILE HG12 . 17891 1 134 . 1 1 17 17 ILE HG13 H 1 1.37 0.01 . 1 . . . A 17 ILE HG13 . 17891 1 135 . 1 1 17 17 ILE HG21 H 1 1.00 0.01 . 1 . . . A 17 ILE MG . 17891 1 136 . 1 1 17 17 ILE HG22 H 1 1.00 0.01 . 1 . . . A 17 ILE MG . 17891 1 137 . 1 1 17 17 ILE HG23 H 1 1.00 0.01 . 1 . . . A 17 ILE MG . 17891 1 138 . 1 1 17 17 ILE HD11 H 1 0.90 0.01 . 1 . . . A 17 ILE MD . 17891 1 139 . 1 1 17 17 ILE HD12 H 1 0.90 0.01 . 1 . . . A 17 ILE MD . 17891 1 140 . 1 1 17 17 ILE HD13 H 1 0.90 0.01 . 1 . . . A 17 ILE MD . 17891 1 141 . 1 1 17 17 ILE CA C 13 64.13 0.01 . 1 . . . A 17 ILE CA . 17891 1 142 . 1 1 17 17 ILE CB C 13 39.66 0.01 . 1 . . . A 17 ILE CB . 17891 1 143 . 1 1 17 17 ILE CG1 C 13 28.39 0.01 . 1 . . . A 17 ILE CG1 . 17891 1 144 . 1 1 17 17 ILE CG2 C 13 17.74 0.01 . 1 . . . A 17 ILE CG2 . 17891 1 145 . 1 1 17 17 ILE CD1 C 13 13.54 0.01 . 1 . . . A 17 ILE CD1 . 17891 1 146 . 1 1 18 18 THR H H 1 7.78 0.01 . 1 . . . A 18 THR H . 17891 1 147 . 1 1 18 18 THR HA H 1 4.29 0.01 . 1 . . . A 18 THR HA . 17891 1 148 . 1 1 18 18 THR HB H 1 4.34 0.01 . 1 . . . A 18 THR HB . 17891 1 149 . 1 1 18 18 THR HG21 H 1 1.30 0.01 . 1 . . . A 18 THR MG . 17891 1 150 . 1 1 18 18 THR HG22 H 1 1.30 0.01 . 1 . . . A 18 THR MG . 17891 1 151 . 1 1 18 18 THR HG23 H 1 1.30 0.01 . 1 . . . A 18 THR MG . 17891 1 152 . 1 1 18 18 THR CA C 13 64.16 0.01 . 1 . . . A 18 THR CA . 17891 1 153 . 1 1 18 18 THR CB C 13 70.83 0.01 . 1 . . . A 18 THR CB . 17891 1 154 . 1 1 18 18 THR CG2 C 13 21.99 0.01 . 1 . . . A 18 THR CG2 . 17891 1 155 . 1 1 19 19 VAL HA H 1 4.25 0.01 . 1 . . . A 19 VAL HA . 17891 1 156 . 1 1 19 19 VAL HB H 1 2.29 0.01 . 1 . . . A 19 VAL HB . 17891 1 157 . 1 1 19 19 VAL HG11 H 1 1.10 0.01 . 1 . . . A 19 VAL MG1 . 17891 1 158 . 1 1 19 19 VAL HG12 H 1 1.10 0.01 . 1 . . . A 19 VAL MG1 . 17891 1 159 . 1 1 19 19 VAL HG13 H 1 1.10 0.01 . 1 . . . A 19 VAL MG1 . 17891 1 160 . 1 1 19 19 VAL HG21 H 1 1.01 0.01 . 1 . . . A 19 VAL MG2 . 17891 1 161 . 1 1 19 19 VAL HG22 H 1 1.01 0.01 . 1 . . . A 19 VAL MG2 . 17891 1 162 . 1 1 19 19 VAL HG23 H 1 1.01 0.01 . 1 . . . A 19 VAL MG2 . 17891 1 163 . 1 1 19 19 VAL CA C 13 64.85 0.01 . 1 . . . A 19 VAL CA . 17891 1 164 . 1 1 19 19 VAL CB C 13 32.14 0.01 . 1 . . . A 19 VAL CB . 17891 1 165 . 1 1 19 19 VAL CG1 C 13 22.41 0.01 . 1 . . . A 19 VAL CG1 . 17891 1 166 . 1 1 19 19 VAL CG2 C 13 21.48 0.01 . 1 . . . A 19 VAL CG2 . 17891 1 167 . 1 1 20 20 PRO HA H 1 4.46 0.01 . 1 . . . A 20 PRO HA . 17891 1 168 . 1 1 20 20 PRO HB2 H 1 2.31 0.01 . 1 . . . A 20 PRO HB2 . 17891 1 169 . 1 1 20 20 PRO HB3 H 1 1.98 0.01 . 1 . . . A 20 PRO HB3 . 17891 1 170 . 1 1 20 20 PRO HG2 H 1 2.17 0.01 . 1 . . . A 20 PRO HG2 . 17891 1 171 . 1 1 20 20 PRO HG3 H 1 2.04 0.01 . 1 . . . A 20 PRO HG3 . 17891 1 172 . 1 1 20 20 PRO HD2 H 1 3.80 0.01 . 1 . . . A 20 PRO HD2 . 17891 1 173 . 1 1 20 20 PRO HD3 H 1 3.76 0.01 . 1 . . . A 20 PRO HD3 . 17891 1 174 . 1 1 20 20 PRO CA C 13 65.58 0.01 . 1 . . . A 20 PRO CA . 17891 1 175 . 1 1 20 20 PRO CB C 13 31.97 0.01 . 1 . . . A 20 PRO CB . 17891 1 176 . 1 1 20 20 PRO CG C 13 28.40 0.01 . 1 . . . A 20 PRO CG . 17891 1 177 . 1 1 20 20 PRO CD C 13 51.22 0.01 . 1 . . . A 20 PRO CD . 17891 1 178 . 1 1 21 21 VAL H H 1 7.56 0.01 . 1 . . . A 21 VAL H . 17891 1 179 . 1 1 21 21 VAL HA H 1 4.01 0.01 . 1 . . . A 21 VAL HA . 17891 1 180 . 1 1 21 21 VAL HB H 1 2.18 0.01 . 1 . . . A 21 VAL HB . 17891 1 181 . 1 1 21 21 VAL HG11 H 1 1.05 0.01 . 1 . . . A 21 VAL MG1 . 17891 1 182 . 1 1 21 21 VAL HG12 H 1 1.05 0.01 . 1 . . . A 21 VAL MG1 . 17891 1 183 . 1 1 21 21 VAL HG13 H 1 1.05 0.01 . 1 . . . A 21 VAL MG1 . 17891 1 184 . 1 1 21 21 VAL HG21 H 1 1.00 0.01 . 1 . . . A 21 VAL MG2 . 17891 1 185 . 1 1 21 21 VAL HG22 H 1 1.00 0.01 . 1 . . . A 21 VAL MG2 . 17891 1 186 . 1 1 21 21 VAL HG23 H 1 1.00 0.01 . 1 . . . A 21 VAL MG2 . 17891 1 187 . 1 1 21 21 VAL CA C 13 65.13 0.01 . 1 . . . A 21 VAL CA . 17891 1 188 . 1 1 21 21 VAL CB C 13 33.19 0.01 . 1 . . . A 21 VAL CB . 17891 1 189 . 1 1 22 22 SER H H 1 8.10 0.01 . 1 . . . A 22 SER H . 17891 1 190 . 1 1 22 22 SER HA H 1 4.40 0.01 . 1 . . . A 22 SER HA . 17891 1 191 . 1 1 22 22 SER HB2 H 1 4.07 0.01 . 1 . . . A 22 SER HB2 . 17891 1 192 . 1 1 22 22 SER HB3 H 1 3.95 0.01 . 1 . . . A 22 SER HB3 . 17891 1 193 . 1 1 22 22 SER CA C 13 60.85 0.01 . 1 . . . A 22 SER CA . 17891 1 194 . 1 1 22 22 SER CB C 13 64.44 0.01 . 1 . . . A 22 SER CB . 17891 1 195 . 1 1 23 23 ALA HA H 1 4.22 0.01 . 1 . . . A 23 ALA HA . 17891 1 196 . 1 1 23 23 ALA HB1 H 1 1.49 0.01 . 1 . . . A 23 ALA MB . 17891 1 197 . 1 1 23 23 ALA HB2 H 1 1.49 0.01 . 1 . . . A 23 ALA MB . 17891 1 198 . 1 1 23 23 ALA HB3 H 1 1.49 0.01 . 1 . . . A 23 ALA MB . 17891 1 199 . 1 1 23 23 ALA CA C 13 55.14 0.01 . 1 . . . A 23 ALA CA . 17891 1 200 . 1 1 23 23 ALA CB C 13 18.99 0.01 . 1 . . . A 23 ALA CB . 17891 1 201 . 1 1 24 24 ALA H H 1 7.85 0.01 . 1 . . . A 24 ALA H . 17891 1 202 . 1 1 24 24 ALA HA H 1 4.18 0.01 . 1 . . . A 24 ALA HA . 17891 1 203 . 1 1 24 24 ALA HB1 H 1 1.52 0.01 . 1 . . . A 24 ALA MB . 17891 1 204 . 1 1 24 24 ALA HB2 H 1 1.52 0.01 . 1 . . . A 24 ALA MB . 17891 1 205 . 1 1 24 24 ALA HB3 H 1 1.52 0.01 . 1 . . . A 24 ALA MB . 17891 1 206 . 1 1 24 24 ALA CA C 13 55.29 0.01 . 1 . . . A 24 ALA CA . 17891 1 207 . 1 1 24 24 ALA CB C 13 18.63 0.01 . 1 . . . A 24 ALA CB . 17891 1 208 . 1 1 25 25 GLN H H 1 7.87 0.01 . 1 . . . A 25 GLN H . 17891 1 209 . 1 1 25 25 GLN HA H 1 4.25 0.01 . 1 . . . A 25 GLN HA . 17891 1 210 . 1 1 25 25 GLN HB2 H 1 2.22 0.01 . 2 . . . A 25 GLN HB2 . 17891 1 211 . 1 1 25 25 GLN HB3 H 1 2.22 0.01 . 2 . . . A 25 GLN HB3 . 17891 1 212 . 1 1 25 25 GLN HG2 H 1 2.49 0.01 . 2 . . . A 25 GLN HG2 . 17891 1 213 . 1 1 25 25 GLN HG3 H 1 2.49 0.01 . 2 . . . A 25 GLN HG3 . 17891 1 214 . 1 1 25 25 GLN CA C 13 57.90 0.01 . 1 . . . A 25 GLN CA . 17891 1 215 . 1 1 25 25 GLN CB C 13 30.04 0.01 . 1 . . . A 25 GLN CB . 17891 1 216 . 1 1 25 25 GLN CG C 13 34.83 0.01 . 1 . . . A 25 GLN CG . 17891 1 217 . 1 1 26 26 VAL H H 1 7.71 0.01 . 1 . . . A 26 VAL H . 17891 1 218 . 1 1 26 26 VAL HA H 1 4.03 0.01 . 1 . . . A 26 VAL HA . 17891 1 219 . 1 1 26 26 VAL HB H 1 2.20 0.01 . 1 . . . A 26 VAL HB . 17891 1 220 . 1 1 26 26 VAL HG11 H 1 1.05 0.01 . 1 . . . A 26 VAL MG1 . 17891 1 221 . 1 1 26 26 VAL HG12 H 1 1.05 0.01 . 1 . . . A 26 VAL MG1 . 17891 1 222 . 1 1 26 26 VAL HG13 H 1 1.05 0.01 . 1 . . . A 26 VAL MG1 . 17891 1 223 . 1 1 26 26 VAL CA C 13 64.59 0.01 . 1 . . . A 26 VAL CA . 17891 1 224 . 1 1 26 26 VAL CB C 13 33.18 0.01 . 1 . . . A 26 VAL CB . 17891 1 225 . 1 1 27 27 LYS H H 1 7.96 0.01 . 1 . . . A 27 LYS H . 17891 1 226 . 1 1 27 27 LYS HA H 1 4.32 0.01 . 1 . . . A 27 LYS HA . 17891 1 227 . 1 1 27 27 LYS HB2 H 1 1.93 0.01 . 1 . . . A 27 LYS HB2 . 17891 1 228 . 1 1 27 27 LYS HB3 H 1 1.86 0.01 . 1 . . . A 27 LYS HB3 . 17891 1 229 . 1 1 27 27 LYS HG2 H 1 1.56 0.01 . 1 . . . A 27 LYS HG2 . 17891 1 230 . 1 1 27 27 LYS HG3 H 1 1.49 0.01 . 1 . . . A 27 LYS HG3 . 17891 1 231 . 1 1 27 27 LYS HD2 H 1 1.74 0.01 . 2 . . . A 27 LYS HD2 . 17891 1 232 . 1 1 27 27 LYS HD3 H 1 1.74 0.01 . 2 . . . A 27 LYS HD3 . 17891 1 233 . 1 1 27 27 LYS HE2 H 1 3.04 0.01 . 2 . . . A 27 LYS HE2 . 17891 1 234 . 1 1 27 27 LYS HE3 H 1 3.04 0.01 . 2 . . . A 27 LYS HE3 . 17891 1 235 . 1 1 27 27 LYS CA C 13 57.12 0.01 . 1 . . . A 27 LYS CA . 17891 1 236 . 1 1 27 27 LYS CB C 13 33.81 0.01 . 1 . . . A 27 LYS CB . 17891 1 237 . 1 1 27 27 LYS CG C 13 25.53 0.01 . 1 . . . A 27 LYS CG . 17891 1 238 . 1 1 27 27 LYS CD C 13 29.73 0.01 . 1 . . . A 27 LYS CD . 17891 1 239 . 1 1 27 27 LYS CE C 13 42.86 0.01 . 1 . . . A 27 LYS CE . 17891 1 stop_ save_