################################### # 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 17043 _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-1H NOESY' . . . 17043 1 2 '2D 1H-13C HSQC' . . . 17043 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 4.09 0.01 . 1 . . . . 1 LYS HA . 17043 1 2 . 1 1 1 1 LYS HB2 H 1 1.98 0.01 . 1 . . . . 1 LYS HB2 . 17043 1 3 . 1 1 1 1 LYS HB3 H 1 1.98 0.01 . 1 . . . . 1 LYS HB3 . 17043 1 4 . 1 1 1 1 LYS HD2 H 1 1.77 0.01 . 1 . . . . 1 LYS HD2 . 17043 1 5 . 1 1 1 1 LYS HD3 H 1 1.77 0.01 . 1 . . . . 1 LYS HD3 . 17043 1 6 . 1 1 1 1 LYS HE2 H 1 3.07 0.01 . 1 . . . . 1 LYS HE2 . 17043 1 7 . 1 1 1 1 LYS HE3 H 1 3.07 0.01 . 1 . . . . 1 LYS HE3 . 17043 1 8 . 1 1 1 1 LYS HG2 H 1 1.55 0.01 . 1 . . . . 1 LYS HG2 . 17043 1 9 . 1 1 1 1 LYS HG3 H 1 1.55 0.01 . 1 . . . . 1 LYS HG3 . 17043 1 10 . 1 1 1 1 LYS CA C 13 56.59 0.01 . 1 . . . . 1 LYS CA . 17043 1 11 . 1 1 1 1 LYS CB C 13 34.04 0.01 . 1 . . . . 1 LYS CB . 17043 1 12 . 1 1 1 1 LYS CD C 13 29.88 0.01 . 1 . . . . 1 LYS CD . 17043 1 13 . 1 1 1 1 LYS CE C 13 42.80 0.01 . 1 . . . . 1 LYS CE . 17043 1 14 . 1 1 1 1 LYS CG C 13 25.44 0.01 . 1 . . . . 1 LYS CG . 17043 1 15 . 1 1 2 2 LYS H H 1 8.70 0.01 . 1 . . . . 2 LYS H . 17043 1 16 . 1 1 2 2 LYS HA H 1 4.48 0.01 . 1 . . . . 2 LYS HA . 17043 1 17 . 1 1 2 2 LYS HB2 H 1 1.92 0.01 . 2 . . . . 2 LYS HB2 . 17043 1 18 . 1 1 2 2 LYS HB3 H 1 1.83 0.01 . 2 . . . . 2 LYS HB3 . 17043 1 19 . 1 1 2 2 LYS HD2 H 1 1.76 0.01 . 1 . . . . 2 LYS HD2 . 17043 1 20 . 1 1 2 2 LYS HD3 H 1 1.76 0.01 . 1 . . . . 2 LYS HD3 . 17043 1 21 . 1 1 2 2 LYS HE2 H 1 3.05 0.01 . 1 . . . . 2 LYS HE2 . 17043 1 22 . 1 1 2 2 LYS HE3 H 1 3.05 0.01 . 1 . . . . 2 LYS HE3 . 17043 1 23 . 1 1 2 2 LYS HG2 H 1 1.53 0.01 . 1 . . . . 2 LYS HG2 . 17043 1 24 . 1 1 2 2 LYS HG3 H 1 1.53 0.01 . 1 . . . . 2 LYS HG3 . 17043 1 25 . 1 1 2 2 LYS CA C 13 57.39 0.01 . 1 . . . . 2 LYS CA . 17043 1 26 . 1 1 2 2 LYS CB C 13 34.01 0.01 . 1 . . . . 2 LYS CB . 17043 1 27 . 1 1 2 2 LYS CD C 13 29.86 0.01 . 1 . . . . 2 LYS CD . 17043 1 28 . 1 1 2 2 LYS CE C 13 42.99 0.01 . 1 . . . . 2 LYS CE . 17043 1 29 . 1 1 2 2 LYS CG C 13 24.59 0.01 . 1 . . . . 2 LYS CG . 17043 1 30 . 1 1 3 3 SER H H 1 8.35 0.01 . 1 . . . . 3 SER H . 17043 1 31 . 1 1 3 3 SER HA H 1 4.57 0.01 . 1 . . . . 3 SER HA . 17043 1 32 . 1 1 3 3 SER HB2 H 1 3.96 0.01 . 2 . . . . 3 SER HB2 . 17043 1 33 . 1 1 3 3 SER HB3 H 1 3.92 0.01 . 2 . . . . 3 SER HB3 . 17043 1 34 . 1 1 3 3 SER CA C 13 58.88 0.01 . 1 . . . . 3 SER CA . 17043 1 35 . 1 1 3 3 SER CB C 13 65.14 0.01 . 1 . . . . 3 SER CB . 17043 1 36 . 1 1 4 4 GLY H H 1 8.38 0.01 . 1 . . . . 4 GLY H . 17043 1 37 . 1 1 4 4 GLY HA2 H 1 4.09 0.01 . 2 . . . . 4 GLY HA2 . 17043 1 38 . 1 1 4 4 GLY HA3 H 1 4.01 0.01 . 2 . . . . 4 GLY HA3 . 17043 1 39 . 1 1 4 4 GLY CA C 13 46.02 0.01 . 1 . . . . 4 GLY CA . 17043 1 40 . 1 1 5 5 ARG H H 1 8.21 0.01 . 1 . . . . 5 ARG H . 17043 1 41 . 1 1 5 5 ARG HA H 1 4.39 0.01 . 1 . . . . 5 ARG HA . 17043 1 42 . 1 1 5 5 ARG HB2 H 1 1.93 0.01 . 2 . . . . 5 ARG HB2 . 17043 1 43 . 1 1 5 5 ARG HB3 H 1 1.82 0.01 . 2 . . . . 5 ARG HB3 . 17043 1 44 . 1 1 5 5 ARG HD2 H 1 3.24 0.01 . 1 . . . . 5 ARG HD2 . 17043 1 45 . 1 1 5 5 ARG HD3 H 1 3.24 0.01 . 1 . . . . 5 ARG HD3 . 17043 1 46 . 1 1 5 5 ARG HE H 1 7.20 0.01 . 1 . . . . 5 ARG HE . 17043 1 47 . 1 1 5 5 ARG HG2 H 1 1.72 0.01 . 2 . . . . 5 ARG HG2 . 17043 1 48 . 1 1 5 5 ARG HG3 H 1 1.72 0.01 . 1 . . . . 5 ARG HG3 . 17043 1 49 . 1 1 5 5 ARG CA C 13 57.28 0.01 . 1 . . . . 5 ARG CA . 17043 1 50 . 1 1 5 5 ARG CB C 13 31.72 0.01 . 1 . . . . 5 ARG CB . 17043 1 51 . 1 1 5 5 ARG CD C 13 44.06 0.01 . 1 . . . . 5 ARG CD . 17043 1 52 . 1 1 5 5 ARG CG C 13 27.85 0.01 . 1 . . . . 5 ARG CG . 17043 1 53 . 1 1 6 6 GLY H H 1 8.35 0.01 . 1 . . . . 6 GLY H . 17043 1 54 . 1 1 6 6 GLY HA2 H 1 4.01 0.01 . 2 . . . . 6 GLY HA2 . 17043 1 55 . 1 1 6 6 GLY HA3 H 1 4.01 0.01 . 2 . . . . 6 GLY HA3 . 17043 1 56 . 1 1 6 6 GLY CA C 13 46.17 0.01 . 1 . . . . 6 GLY CA . 17043 1 57 . 1 1 7 7 ILE H H 1 7.83 0.01 . 1 . . . . 7 ILE H . 17043 1 58 . 1 1 7 7 ILE HA H 1 4.23 0.01 . 1 . . . . 7 ILE HA . 17043 1 59 . 1 1 7 7 ILE HB H 1 1.94 0.01 . 1 . . . . 7 ILE HB . 17043 1 60 . 1 1 7 7 ILE HD11 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 61 . 1 1 7 7 ILE HD12 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 62 . 1 1 7 7 ILE HD13 H 1 0.92 0.01 . 1 . . . . 7 ILE MD . 17043 1 63 . 1 1 7 7 ILE HG12 H 1 1.54 0.01 . 2 . . . . 7 ILE HG12 . 17043 1 64 . 1 1 7 7 ILE HG13 H 1 1.25 0.01 . 2 . . . . 7 ILE HG13 . 17043 1 65 . 1 1 7 7 ILE HG21 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 66 . 1 1 7 7 ILE HG22 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 67 . 1 1 7 7 ILE HG23 H 1 0.99 0.01 . 1 . . . . 7 ILE MG . 17043 1 68 . 1 1 7 7 ILE CA C 13 62.62 0.01 . 1 . . . . 7 ILE CA . 17043 1 69 . 1 1 7 7 ILE CB C 13 39.63 0.01 . 1 . . . . 7 ILE CB . 17043 1 70 . 1 1 7 7 ILE CD1 C 13 13.27 0.01 . 1 . . . . 7 ILE CD1 . 17043 1 71 . 1 1 7 7 ILE CG1 C 13 28.17 0.01 . 1 . . . . 7 ILE CG1 . 17043 1 72 . 1 1 7 7 ILE CG2 C 13 17.76 0.01 . 1 . . . . 7 ILE CG2 . 17043 1 73 . 1 1 8 8 GLY H H 1 8.32 0.01 . 1 . . . . 8 GLY H . 17043 1 74 . 1 1 8 8 GLY HA2 H 1 3.99 0.01 . 1 . . . . 8 GLY HA2 . 17043 1 75 . 1 1 8 8 GLY HA3 H 1 3.99 0.01 . 1 . . . . 8 GLY HA3 . 17043 1 76 . 1 1 8 8 GLY CA C 13 46.55 0.01 . 1 . . . . 8 GLY CA . 17043 1 77 . 1 1 9 9 LYS H H 1 8.06 0.01 . 1 . . . . 9 LYS H . 17043 1 78 . 1 1 9 9 LYS HA H 1 4.26 0.01 . 1 . . . . 9 LYS HA . 17043 1 79 . 1 1 9 9 LYS HB2 H 1 1.91 0.01 . 2 . . . . 9 LYS HB2 . 17043 1 80 . 1 1 9 9 LYS HB3 H 1 1.86 0.01 . 2 . . . . 9 LYS HB3 . 17043 1 81 . 1 1 9 9 LYS HD2 H 1 1.74 0.01 . 1 . . . . 9 LYS HD2 . 17043 1 82 . 1 1 9 9 LYS HD3 H 1 1.74 0.01 . 1 . . . . 9 LYS HD3 . 17043 1 83 . 1 1 9 9 LYS HE2 H 1 3.02 0.01 . 1 . . . . 9 LYS HE2 . 17043 1 84 . 1 1 9 9 LYS HE3 H 1 3.02 0.01 . 1 . . . . 9 LYS HE3 . 17043 1 85 . 1 1 9 9 LYS HG2 H 1 1.50 0.01 . 1 . . . . 9 LYS HG2 . 17043 1 86 . 1 1 9 9 LYS HG3 H 1 1.50 0.01 . 1 . . . . 9 LYS HG3 . 17043 1 87 . 1 1 9 9 LYS CA C 13 58.54 0.01 . 1 . . . . 9 LYS CA . 17043 1 88 . 1 1 9 9 LYS CB C 13 33.71 0.01 . 1 . . . . 9 LYS CB . 17043 1 89 . 1 1 9 9 LYS CD C 13 29.84 0.01 . 1 . . . . 9 LYS CD . 17043 1 90 . 1 1 9 9 LYS CE C 13 43.00 0.01 . 1 . . . . 9 LYS CE . 17043 1 91 . 1 1 9 9 LYS CG C 13 25.45 0.01 . 1 . . . . 9 LYS CG . 17043 1 92 . 1 1 10 10 MET H H 1 8.19 0.01 . 1 . . . . 10 MET H . 17043 1 93 . 1 1 10 10 MET HA H 1 4.52 0.01 . 1 . . . . 10 MET HA . 17043 1 94 . 1 1 10 10 MET HB2 H 1 2.16 0.01 . 1 . . . . 10 MET HB2 . 17043 1 95 . 1 1 10 10 MET HB3 H 1 2.16 0.01 . 1 . . . . 10 MET HB3 . 17043 1 96 . 1 1 10 10 MET HG2 H 1 2.63 0.01 . 1 . . . . 10 MET HG2 . 17043 1 97 . 1 1 10 10 MET HG3 H 1 2.63 0.01 . 1 . . . . 10 MET HG3 . 17043 1 98 . 1 1 10 10 MET CA C 13 57.71 0.01 . 1 . . . . 10 MET CA . 17043 1 99 . 1 1 10 10 MET CB C 13 33.47 0.01 . 1 . . . . 10 MET CB . 17043 1 100 . 1 1 10 10 MET CG C 13 32.83 0.01 . 1 . . . . 10 MET CG . 17043 1 101 . 1 1 11 11 THR H H 1 7.83 0.01 . 1 . . . . 11 THR H . 17043 1 102 . 1 1 11 11 THR HA H 1 4.29 0.01 . 1 . . . . 11 THR HA . 17043 1 103 . 1 1 11 11 THR HB H 1 4.43 0.01 . 1 . . . . 11 THR HB . 17043 1 104 . 1 1 11 11 THR HG21 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 105 . 1 1 11 11 THR HG22 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 106 . 1 1 11 11 THR HG23 H 1 1.32 0.01 . 1 . . . . 11 THR MG . 17043 1 107 . 1 1 11 11 THR CA C 13 64.25 0.01 . 1 . . . . 11 THR CA . 17043 1 108 . 1 1 11 11 THR CB C 13 70.85 0.01 . 1 . . . . 11 THR CB . 17043 1 109 . 1 1 11 11 THR CG2 C 13 22.22 0.01 . 1 . . . . 11 THR CG2 . 17043 1 110 . 1 1 12 12 LEU H H 1 8.19 0.01 . 1 . . . . 12 LEU H . 17043 1 111 . 1 1 12 12 LEU HA H 1 4.21 0.01 . 1 . . . . 12 LEU HA . 17043 1 112 . 1 1 12 12 LEU HB2 H 1 1.74 0.01 . 1 . . . . 12 LEU HB2 . 17043 1 113 . 1 1 12 12 LEU HB3 H 1 1.74 0.01 . 1 . . . . 12 LEU HB3 . 17043 1 114 . 1 1 12 12 LEU CA C 13 58.83 0.01 . 1 . . . . 12 LEU CA . 17043 1 115 . 1 1 12 12 LEU CB C 13 42.10 0.01 . 1 . . . . 12 LEU CB . 17043 1 116 . 1 1 13 13 GLY H H 1 8.28 0.01 . 1 . . . . 13 GLY H . 17043 1 117 . 1 1 13 13 GLY HA2 H 1 3.88 0.01 . 1 . . . . 13 GLY HA2 . 17043 1 118 . 1 1 13 13 GLY HA3 H 1 3.88 0.01 . 1 . . . . 13 GLY HA3 . 17043 1 119 . 1 1 13 13 GLY CA C 13 47.88 0.01 . 1 . . . . 13 GLY CA . 17043 1 120 . 1 1 14 14 MET H H 1 7.93 0.01 . 1 . . . . 14 MET H . 17043 1 121 . 1 1 14 14 MET HA H 1 4.35 0.01 . 1 . . . . 14 MET HA . 17043 1 122 . 1 1 14 14 MET HB2 H 1 2.26 0.01 . 1 . . . . 14 MET HB2 . 17043 1 123 . 1 1 14 14 MET HB3 H 1 2.26 0.01 . 1 . . . . 14 MET HB3 . 17043 1 124 . 1 1 14 14 MET HG2 H 1 2.72 0.01 . 2 . . . . 14 MET HG2 . 17043 1 125 . 1 1 14 14 MET HG3 H 1 2.66 0.01 . 2 . . . . 14 MET HG3 . 17043 1 126 . 1 1 14 14 MET CA C 13 59.08 0.01 . 1 . . . . 14 MET CA . 17043 1 127 . 1 1 14 14 MET CB C 13 33.00 0.01 . 1 . . . . 14 MET CB . 17043 1 128 . 1 1 14 14 MET CG C 13 32.77 0.01 . 1 . . . . 14 MET CG . 17043 1 129 . 1 1 15 15 CYS H H 1 8.28 0.01 . 1 . . . . 15 CYS H . 17043 1 130 . 1 1 15 15 CYS HA H 1 4.17 0.01 . 1 . . . . 15 CYS HA . 17043 1 131 . 1 1 15 15 CYS HB2 H 1 3.26 0.01 . 2 . . . . 15 CYS HB2 . 17043 1 132 . 1 1 15 15 CYS HB3 H 1 3.02 0.01 . 2 . . . . 15 CYS HB3 . 17043 1 133 . 1 1 15 15 CYS CA C 13 64.18 0.01 . 1 . . . . 15 CYS CA . 17043 1 134 . 1 1 15 15 CYS CB C 13 27.00 0.01 . 1 . . . . 15 CYS CB . 17043 1 135 . 1 1 16 16 CYS H H 1 8.37 0.01 . 1 . . . . 16 CYS H . 17043 1 136 . 1 1 16 16 CYS HA H 1 4.20 0.01 . 1 . . . . 16 CYS HA . 17043 1 137 . 1 1 16 16 CYS HB2 H 1 2.96 0.01 . 2 . . . . 16 CYS HB2 . 17043 1 138 . 1 1 16 16 CYS HB3 H 1 3.30 0.01 . 2 . . . . 16 CYS HB3 . 17043 1 139 . 1 1 16 16 CYS CA C 13 64.64 0.01 . 1 . . . . 16 CYS CA . 17043 1 140 . 1 1 16 16 CYS CB C 13 27.07 0.01 . 1 . . . . 16 CYS CB . 17043 1 141 . 1 1 17 17 ILE H H 1 7.92 0.01 . 1 . . . . 17 ILE H . 17043 1 142 . 1 1 17 17 ILE HA H 1 3.85 0.01 . 1 . . . . 17 ILE HA . 17043 1 143 . 1 1 17 17 ILE HB H 1 2.08 0.01 . 1 . . . . 17 ILE HB . 17043 1 144 . 1 1 17 17 ILE HD11 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 145 . 1 1 17 17 ILE HD12 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 146 . 1 1 17 17 ILE HD13 H 1 0.90 0.01 . 1 . . . . 17 ILE MD . 17043 1 147 . 1 1 17 17 ILE HG12 H 1 1.77 0.01 . 2 . . . . 17 ILE HG12 . 17043 1 148 . 1 1 17 17 ILE HG13 H 1 1.24 0.01 . 2 . . . . 17 ILE HG13 . 17043 1 149 . 1 1 17 17 ILE HG21 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 150 . 1 1 17 17 ILE HG22 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 151 . 1 1 17 17 ILE HG23 H 1 0.97 0.01 . 1 . . . . 17 ILE MG . 17043 1 152 . 1 1 17 17 ILE CA C 13 65.68 0.01 . 1 . . . . 17 ILE CA . 17043 1 153 . 1 1 17 17 ILE CB C 13 38.90 0.01 . 1 . . . . 17 ILE CB . 17043 1 154 . 1 1 17 17 ILE CD1 C 13 12.79 0.01 . 1 . . . . 17 ILE CD1 . 17043 1 155 . 1 1 17 17 ILE CG1 C 13 29.45 0.01 . 1 . . . . 17 ILE CG1 . 17043 1 156 . 1 1 17 17 ILE CG2 C 13 17.77 0.01 . 1 . . . . 17 ILE CG2 . 17043 1 157 . 1 1 18 18 ILE H H 1 8.61 0.01 . 1 . . . . 18 ILE H . 17043 1 158 . 1 1 18 18 ILE HA H 1 3.73 0.01 . 1 . . . . 18 ILE HA . 17043 1 159 . 1 1 18 18 ILE HB H 1 1.92 0.01 . 1 . . . . 18 ILE HB . 17043 1 160 . 1 1 18 18 ILE HD11 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 161 . 1 1 18 18 ILE HD12 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 162 . 1 1 18 18 ILE HD13 H 1 0.89 0.01 . 1 . . . . 18 ILE MD . 17043 1 163 . 1 1 18 18 ILE HG21 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 164 . 1 1 18 18 ILE HG22 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 165 . 1 1 18 18 ILE HG23 H 1 0.97 0.01 . 1 . . . . 18 ILE MG . 17043 1 166 . 1 1 18 18 ILE CA C 13 66.52 0.01 . 1 . . . . 18 ILE CA . 17043 1 167 . 1 1 18 18 ILE CB C 13 38.96 0.01 . 1 . . . . 18 ILE CB . 17043 1 168 . 1 1 18 18 ILE CD1 C 13 13.16 0.01 . 1 . . . . 18 ILE CD1 . 17043 1 169 . 1 1 18 18 ILE CG2 C 13 17.28 0.01 . 1 . . . . 18 ILE CG2 . 17043 1 170 . 1 1 19 19 THR H H 1 8.13 0.01 . 1 . . . . 19 THR H . 17043 1 171 . 1 1 19 19 THR HA H 1 3.90 0.01 . 1 . . . . 19 THR HA . 17043 1 172 . 1 1 19 19 THR HB H 1 4.35 0.01 . 1 . . . . 19 THR HB . 17043 1 173 . 1 1 19 19 THR HG21 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 174 . 1 1 19 19 THR HG22 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 175 . 1 1 19 19 THR HG23 H 1 1.31 0.01 . 1 . . . . 19 THR HG1 . 17043 1 176 . 1 1 19 19 THR CA C 13 68.43 0.01 . 1 . . . . 19 THR CA . 17043 1 177 . 1 1 19 19 THR CB C 13 69.72 0.01 . 1 . . . . 19 THR CB . 17043 1 178 . 1 1 19 19 THR CG2 C 13 21.24 0.01 . 1 . . . . 19 THR CG2 . 17043 1 179 . 1 1 20 20 ALA H H 1 8.36 0.01 . 1 . . . . 20 ALA H . 17043 1 180 . 1 1 20 20 ALA HA H 1 4.11 0.01 . 1 . . . . 20 ALA HA . 17043 1 181 . 1 1 20 20 ALA HB1 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 182 . 1 1 20 20 ALA HB2 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 183 . 1 1 20 20 ALA HB3 H 1 1.57 0.01 . 1 . . . . 20 ALA MB . 17043 1 184 . 1 1 20 20 ALA CA C 13 56.46 0.01 . 1 . . . . 20 ALA CA . 17043 1 185 . 1 1 20 20 ALA CB C 13 18.30 0.01 . 1 . . . . 20 ALA CB . 17043 1 186 . 1 1 21 21 SER H H 1 8.15 0.01 . 1 . . . . 21 SER H . 17043 1 187 . 1 1 21 21 SER HA H 1 4.25 0.01 . 1 . . . . 21 SER HA . 17043 1 188 . 1 1 21 21 SER CA C 13 63.43 0.01 . 1 . . . . 21 SER CA . 17043 1 189 . 1 1 22 22 ILE H H 1 8.15 0.01 . 1 . . . . 22 ILE H . 17043 1 190 . 1 1 22 22 ILE HA H 1 3.98 0.01 . 1 . . . . 22 ILE HA . 17043 1 191 . 1 1 22 22 ILE HB H 1 2.11 0.01 . 1 . . . . 22 ILE HB . 17043 1 192 . 1 1 22 22 ILE HD11 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 193 . 1 1 22 22 ILE HD12 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 194 . 1 1 22 22 ILE HD13 H 1 0.87 0.01 . 1 . . . . 22 ILE MD . 17043 1 195 . 1 1 22 22 ILE HG12 H 1 1.91 0.01 . 2 . . . . 22 ILE HG12 . 17043 1 196 . 1 1 22 22 ILE HG13 H 1 1.14 0.01 . 2 . . . . 22 ILE HG13 . 17043 1 197 . 1 1 22 22 ILE HG21 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 198 . 1 1 22 22 ILE HG22 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 199 . 1 1 22 22 ILE HG23 H 1 1.05 0.01 . 1 . . . . 22 ILE MG . 17043 1 200 . 1 1 22 22 ILE CA C 13 66.12 0.01 . 1 . . . . 22 ILE CA . 17043 1 201 . 1 1 22 22 ILE CB C 13 38.94 0.01 . 1 . . . . 22 ILE CB . 17043 1 202 . 1 1 22 22 ILE CD1 C 13 13.49 0.01 . 1 . . . . 22 ILE CD1 . 17043 1 203 . 1 1 22 22 ILE CG1 C 13 29.48 0.01 . 1 . . . . 22 ILE CG1 . 17043 1 204 . 1 1 22 22 ILE CG2 C 13 17.52 0.01 . 1 . . . . 22 ILE CG2 . 17043 1 205 . 1 1 23 23 LEU H H 1 8.31 0.01 . 1 . . . . 23 LEU H . 17043 1 206 . 1 1 23 23 LEU HA H 1 4.26 0.01 . 1 . . . . 23 LEU HA . 17043 1 207 . 1 1 23 23 LEU HB2 H 1 2.01 0.01 . 2 . . . . 23 LEU HB2 . 17043 1 208 . 1 1 23 23 LEU HB3 H 1 1.63 0.01 . 2 . . . . 23 LEU HB3 . 17043 1 209 . 1 1 23 23 LEU CA C 13 59.38 0.01 . 1 . . . . 23 LEU CA . 17043 1 210 . 1 1 23 23 LEU CB C 13 42.30 0.01 . 1 . . . . 23 LEU CB . 17043 1 211 . 1 1 24 24 LEU H H 1 8.50 0.01 . 1 . . . . 24 LEU H . 17043 1 212 . 1 1 24 24 LEU HA H 1 4.23 0.01 . 1 . . . . 24 LEU HA . 17043 1 213 . 1 1 24 24 LEU HB2 H 1 1.95 0.01 . 2 . . . . 24 LEU HB2 . 17043 1 214 . 1 1 24 24 LEU HB3 H 1 1.67 0.01 . 2 . . . . 24 LEU HB3 . 17043 1 215 . 1 1 25 25 TRP H H 1 8.13 0.01 . 1 . . . . 25 TRP H . 17043 1 216 . 1 1 25 25 TRP HA H 1 4.44 0.01 . 1 . . . . 25 TRP HA . 17043 1 217 . 1 1 25 25 TRP HB2 H 1 3.68 0.01 . 2 . . . . 25 TRP HB2 . 17043 1 218 . 1 1 25 25 TRP HB3 H 1 3.44 0.01 . 2 . . . . 25 TRP HB3 . 17043 1 219 . 1 1 25 25 TRP HD1 H 1 7.07 0.01 . 1 . . . . 25 TRP HD1 . 17043 1 220 . 1 1 25 25 TRP HE1 H 1 9.49 0.01 . 1 . . . . 25 TRP HE1 . 17043 1 221 . 1 1 25 25 TRP HE3 H 1 7.62 0.01 . 1 . . . . 25 TRP HE3 . 17043 1 222 . 1 1 25 25 TRP HH2 H 1 7.17 0.01 . 1 . . . . 25 TRP HH2 . 17043 1 223 . 1 1 25 25 TRP HZ2 H 1 7.40 0.01 . 1 . . . . 25 TRP HZ2 . 17043 1 224 . 1 1 25 25 TRP HZ3 H 1 7.04 0.01 . 1 . . . . 25 TRP HZ3 . 17043 1 225 . 1 1 25 25 TRP CA C 13 61.85 0.01 . 1 . . . . 25 TRP CA . 17043 1 226 . 1 1 25 25 TRP CB C 13 29.41 0.01 . 1 . . . . 25 TRP CB . 17043 1 227 . 1 1 26 26 TYR H H 1 8.88 0.01 . 1 . . . . 26 TYR H . 17043 1 228 . 1 1 26 26 TYR HA H 1 3.92 0.01 . 1 . . . . 26 TYR HA . 17043 1 229 . 1 1 26 26 TYR HB2 H 1 3.26 0.01 . 2 . . . . 26 TYR HB2 . 17043 1 230 . 1 1 26 26 TYR HB3 H 1 3.20 0.01 . 2 . . . . 26 TYR HB3 . 17043 1 231 . 1 1 26 26 TYR HD1 H 1 7.16 0.01 . 3 . . . . 26 TYR HD1 . 17043 1 232 . 1 1 26 26 TYR HD2 H 1 7.16 0.01 . 3 . . . . 26 TYR HD2 . 17043 1 233 . 1 1 26 26 TYR HE1 H 1 6.82 0.01 . 3 . . . . 26 TYR HE1 . 17043 1 234 . 1 1 26 26 TYR HE2 H 1 6.82 0.01 . 3 . . . . 26 TYR HE2 . 17043 1 235 . 1 1 26 26 TYR CA C 13 60.30 0.01 . 1 . . . . 26 TYR CA . 17043 1 236 . 1 1 26 26 TYR CB C 13 38.95 0.01 . 1 . . . . 26 TYR CB . 17043 1 237 . 1 1 27 27 ALA H H 1 8.63 0.01 . 1 . . . . 27 ALA H . 17043 1 238 . 1 1 27 27 ALA HA H 1 4.03 0.01 . 1 . . . . 27 ALA HA . 17043 1 239 . 1 1 27 27 ALA HB1 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 240 . 1 1 27 27 ALA HB2 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 241 . 1 1 27 27 ALA HB3 H 1 1.60 0.01 . 1 . . . . 27 ALA MB . 17043 1 242 . 1 1 27 27 ALA CA C 13 55.92 0.01 . 1 . . . . 27 ALA CA . 17043 1 243 . 1 1 27 27 ALA CB C 13 18.43 0.01 . 1 . . . . 27 ALA CB . 17043 1 244 . 1 1 28 28 GLN H H 1 8.02 0.01 . 1 . . . . 28 GLN H . 17043 1 245 . 1 1 28 28 GLN HA H 1 4.08 0.01 . 1 . . . . 28 GLN HA . 17043 1 246 . 1 1 28 28 GLN HB2 H 1 2.27 0.01 . 2 . . . . 28 GLN HB2 . 17043 1 247 . 1 1 28 28 GLN HB3 H 1 2.14 0.01 . 2 . . . . 28 GLN HB3 . 17043 1 248 . 1 1 28 28 GLN HE21 H 1 6.93 0.01 . 2 . . . . 28 GLN HE21 . 17043 1 249 . 1 1 28 28 GLN HE22 H 1 6.45 0.01 . 2 . . . . 28 GLN HE22 . 17043 1 250 . 1 1 28 28 GLN HG2 H 1 2.57 0.01 . 2 . . . . 28 GLN HG2 . 17043 1 251 . 1 1 28 28 GLN HG3 H 1 2.39 0.01 . 2 . . . . 28 GLN HG3 . 17043 1 252 . 1 1 28 28 GLN CA C 13 59.21 0.01 . 1 . . . . 28 GLN CA . 17043 1 253 . 1 1 28 28 GLN CB C 13 29.64 0.01 . 1 . . . . 28 GLN CB . 17043 1 254 . 1 1 28 28 GLN CG C 13 34.96 0.01 . 1 . . . . 28 GLN CG . 17043 1 255 . 1 1 29 29 ILE H H 1 7.95 0.01 . 1 . . . . 29 ILE H . 17043 1 256 . 1 1 29 29 ILE HA H 1 3.84 0.01 . 1 . . . . 29 ILE HA . 17043 1 257 . 1 1 29 29 ILE HB H 1 1.72 0.01 . 1 . . . . 29 ILE HB . 17043 1 258 . 1 1 29 29 ILE HD11 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 259 . 1 1 29 29 ILE HD12 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 260 . 1 1 29 29 ILE HD13 H 1 0.51 0.01 . 1 . . . . 29 ILE MD . 17043 1 261 . 1 1 29 29 ILE HG12 H 1 1.12 0.01 . 2 . . . . 29 ILE HG12 . 17043 1 262 . 1 1 29 29 ILE HG13 H 1 0.92 0.01 . 2 . . . . 29 ILE HG13 . 17043 1 263 . 1 1 29 29 ILE HG21 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 264 . 1 1 29 29 ILE HG22 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 265 . 1 1 29 29 ILE HG23 H 1 0.66 0.01 . 1 . . . . 29 ILE MG . 17043 1 266 . 1 1 29 29 ILE CA C 13 64.12 0.01 . 1 . . . . 29 ILE CA . 17043 1 267 . 1 1 29 29 ILE CB C 13 38.28 0.01 . 1 . . . . 29 ILE CB . 17043 1 268 . 1 1 29 29 ILE CD1 C 13 12.54 0.01 . 1 . . . . 29 ILE CD1 . 17043 1 269 . 1 1 29 29 ILE CG1 C 13 28.12 0.01 . 1 . . . . 29 ILE CG1 . 17043 1 270 . 1 1 29 29 ILE CG2 C 13 17.56 0.01 . 1 . . . . 29 ILE CG2 . 17043 1 271 . 1 1 30 30 GLN H H 1 8.03 0.01 . 1 . . . . 30 GLN H . 17043 1 272 . 1 1 30 30 GLN HA H 1 4.08 0.01 . 1 . . . . 30 GLN HA . 17043 1 273 . 1 1 30 30 GLN HB2 H 1 2.05 0.01 . 2 . . . . 30 GLN HB2 . 17043 1 274 . 1 1 30 30 GLN HB3 H 1 1.90 0.01 . 2 . . . . 30 GLN HB3 . 17043 1 275 . 1 1 30 30 GLN HG2 H 1 2.19 0.01 . 1 . . . . 30 GLN HG2 . 17043 1 276 . 1 1 30 30 GLN HG3 H 1 2.19 0.01 . 1 . . . . 30 GLN HG3 . 17043 1 277 . 1 1 30 30 GLN CA C 13 58.02 0.01 . 1 . . . . 30 GLN CA . 17043 1 278 . 1 1 30 30 GLN CB C 13 29.29 0.01 . 1 . . . . 30 GLN CB . 17043 1 279 . 1 1 30 30 GLN CG C 13 34.31 0.01 . 1 . . . . 30 GLN CG . 17043 1 280 . 1 1 31 31 GLY H H 1 7.97 0.01 . 1 . . . . 31 GLY H . 17043 1 281 . 1 1 31 31 GLY HA2 H 1 3.88 0.01 . 1 . . . . 31 GLY HA2 . 17043 1 282 . 1 1 31 31 GLY HA3 H 1 3.88 0.01 . 1 . . . . 31 GLY HA3 . 17043 1 283 . 1 1 31 31 GLY CA C 13 46.66 0.01 . 1 . . . . 31 GLY CA . 17043 1 284 . 1 1 32 32 GLY H H 1 7.97 0.01 . 1 . . . . 32 GLY H . 17043 1 285 . 1 1 32 32 GLY HA2 H 1 3.96 0.01 . 1 . . . . 32 GLY HA2 . 17043 1 286 . 1 1 32 32 GLY HA3 H 1 3.96 0.01 . 1 . . . . 32 GLY HA3 . 17043 1 287 . 1 1 32 32 GLY CA C 13 46.31 0.01 . 1 . . . . 32 GLY CA . 17043 1 288 . 1 1 33 33 LYS H H 1 7.88 0.01 . 1 . . . . 33 LYS H . 17043 1 289 . 1 1 33 33 LYS HA H 1 4.32 0.01 . 1 . . . . 33 LYS HA . 17043 1 290 . 1 1 33 33 LYS HB2 H 1 1.90 0.01 . 2 . . . . 33 LYS HB2 . 17043 1 291 . 1 1 33 33 LYS HB3 H 1 1.85 0.01 . 2 . . . . 33 LYS HB3 . 17043 1 292 . 1 1 33 33 LYS HD2 H 1 1.72 0.01 . 1 . . . . 33 LYS HD2 . 17043 1 293 . 1 1 33 33 LYS HD3 H 1 1.72 0.01 . 1 . . . . 33 LYS HD3 . 17043 1 294 . 1 1 33 33 LYS HE2 H 1 3.02 0.01 . 1 . . . . 33 LYS HE2 . 17043 1 295 . 1 1 33 33 LYS HE3 H 1 3.02 0.01 . 1 . . . . 33 LYS HE3 . 17043 1 296 . 1 1 33 33 LYS HG2 H 1 1.50 0.01 . 2 . . . . 33 LYS HG2 . 17043 1 297 . 1 1 33 33 LYS HG3 H 1 1.46 0.01 . 2 . . . . 33 LYS HG3 . 17043 1 298 . 1 1 33 33 LYS CA C 13 57.39 0.01 . 1 . . . . 33 LYS CA . 17043 1 299 . 1 1 33 33 LYS CB C 13 33.43 0.01 . 1 . . . . 33 LYS CB . 17043 1 300 . 1 1 33 33 LYS CD C 13 29.70 0.01 . 1 . . . . 33 LYS CD . 17043 1 301 . 1 1 33 33 LYS CE C 13 43.00 0.01 . 1 . . . . 33 LYS CE . 17043 1 302 . 1 1 33 33 LYS CG C 13 25.42 0.01 . 1 . . . . 33 LYS CG . 17043 1 303 . 1 1 34 34 LYS H H 1 7.99 0.01 . 1 . . . . 34 LYS H . 17043 1 304 . 1 1 34 34 LYS HA H 1 4.35 0.01 . 1 . . . . 34 LYS HA . 17043 1 305 . 1 1 34 34 LYS HB2 H 1 1.90 0.01 . 2 . . . . 34 LYS HB2 . 17043 1 306 . 1 1 34 34 LYS HB3 H 1 1.82 0.01 . 2 . . . . 34 LYS HB3 . 17043 1 307 . 1 1 34 34 LYS HD2 H 1 1.73 0.01 . 1 . . . . 34 LYS HD2 . 17043 1 308 . 1 1 34 34 LYS HD3 H 1 1.73 0.01 . 1 . . . . 34 LYS HD3 . 17043 1 309 . 1 1 34 34 LYS HE2 H 1 3.03 0.01 . 1 . . . . 34 LYS HE2 . 17043 1 310 . 1 1 34 34 LYS HE3 H 1 3.03 0.01 . 1 . . . . 34 LYS HE3 . 17043 1 311 . 1 1 34 34 LYS HG2 H 1 1.50 0.01 . 1 . . . . 34 LYS HG2 . 17043 1 312 . 1 1 34 34 LYS HG3 H 1 1.50 0.01 . 1 . . . . 34 LYS HG3 . 17043 1 313 . 1 1 34 34 LYS CA C 13 56.74 0.01 . 1 . . . . 34 LYS CA . 17043 1 314 . 1 1 34 34 LYS CB C 13 33.94 0.01 . 1 . . . . 34 LYS CB . 17043 1 315 . 1 1 34 34 LYS CD C 13 29.71 0.01 . 1 . . . . 34 LYS CD . 17043 1 316 . 1 1 34 34 LYS CE C 13 43.00 0.01 . 1 . . . . 34 LYS CE . 17043 1 317 . 1 1 34 34 LYS CG C 13 25.44 0.01 . 1 . . . . 34 LYS CG . 17043 1 stop_ save_