################################### # 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 17015 _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 1H-1H NOESY' . . . 17015 1 2 '2D 1H-1H TOCSY' . . . 17015 1 4 '2D 1H-13C HSQC' . . . 17015 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 2 $ARIA . . 17015 1 3 $SPARKY . . 17015 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 GLY HA2 H 1 3.96 . . 2 . . . . 1 GLY HA2 . 17015 1 2 . 1 1 1 1 GLY HA3 H 1 3.85 . . 2 . . . . 1 GLY HA3 . 17015 1 3 . 1 1 1 1 GLY CA C 13 42.1 . . 1 . . . . 1 GLY CA . 17015 1 4 . 1 1 2 2 PHE H H 1 8.63 . . 1 . . . . 2 PHE H . 17015 1 5 . 1 1 2 2 PHE HA H 1 4.64 . . 1 . . . . 2 PHE HA . 17015 1 6 . 1 1 2 2 PHE HB2 H 1 3.22 . . 2 . . . . 2 PHE HB2 . 17015 1 7 . 1 1 2 2 PHE HB3 H 1 3.11 . . 2 . . . . 2 PHE HB3 . 17015 1 8 . 1 1 2 2 PHE HD1 H 1 7.30 . . 3 . . . . 2 PHE HD1 . 17015 1 9 . 1 1 2 2 PHE HD2 H 1 7.30 . . 3 . . . . 2 PHE HD2 . 17015 1 10 . 1 1 2 2 PHE HE1 H 1 7.39 . . 3 . . . . 2 PHE HE1 . 17015 1 11 . 1 1 2 2 PHE HE2 H 1 7.39 . . 3 . . . . 2 PHE HE2 . 17015 1 12 . 1 1 2 2 PHE HZ H 1 7.36 . . 1 . . . . 2 PHE HZ . 17015 1 13 . 1 1 2 2 PHE CA C 13 58.2 . . 1 . . . . 2 PHE CA . 17015 1 14 . 1 1 3 3 GLY H H 1 8.57 . . 1 . . . . 3 GLY H . 17015 1 15 . 1 1 3 3 GLY HA2 H 1 4.03 . . 2 . . . . 3 GLY HA2 . 17015 1 16 . 1 1 3 3 GLY HA3 H 1 3.95 . . 2 . . . . 3 GLY HA3 . 17015 1 17 . 1 1 3 3 GLY CA C 13 45.5 . . 1 . . . . 3 GLY CA . 17015 1 18 . 1 1 4 4 ALA H H 1 8.00 . . 1 . . . . 4 ALA H . 17015 1 19 . 1 1 4 4 ALA HA H 1 4.25 . . 1 . . . . 4 ALA HA . 17015 1 20 . 1 1 4 4 ALA HB1 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1 21 . 1 1 4 4 ALA HB2 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1 22 . 1 1 4 4 ALA HB3 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1 23 . 1 1 4 4 ALA CA C 13 53.8 . . 1 . . . . 4 ALA CA . 17015 1 24 . 1 1 5 5 LEU H H 1 7.68 . . 1 . . . . 5 LEU H . 17015 1 25 . 1 1 5 5 LEU HA H 1 4.33 . . 1 . . . . 5 LEU HA . 17015 1 26 . 1 1 5 5 LEU HB2 H 1 1.81 . . 2 . . . . 5 LEU HB2 . 17015 1 27 . 1 1 5 5 LEU HB3 H 1 1.81 . . 2 . . . . 5 LEU HB3 . 17015 1 28 . 1 1 5 5 LEU HD11 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1 29 . 1 1 5 5 LEU HD12 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1 30 . 1 1 5 5 LEU HD13 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1 31 . 1 1 5 5 LEU HD21 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1 32 . 1 1 5 5 LEU HD22 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1 33 . 1 1 5 5 LEU HD23 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1 34 . 1 1 5 5 LEU HG H 1 1.72 . . 1 . . . . 5 LEU HG . 17015 1 35 . 1 1 5 5 LEU CA C 13 56.5 . . 1 . . . . 5 LEU CA . 17015 1 36 . 1 1 6 6 PHE H H 1 8.01 . . 1 . . . . 6 PHE H . 17015 1 37 . 1 1 6 6 PHE HA H 1 4.35 . . 1 . . . . 6 PHE HA . 17015 1 38 . 1 1 6 6 PHE HB2 H 1 3.28 . . 2 . . . . 6 PHE HB2 . 17015 1 39 . 1 1 6 6 PHE HB3 H 1 3.29 . . 2 . . . . 6 PHE HB3 . 17015 1 40 . 1 1 6 6 PHE HD1 H 1 7.29 . . 3 . . . . 6 PHE HD1 . 17015 1 41 . 1 1 6 6 PHE HD2 H 1 7.29 . . 3 . . . . 6 PHE HD2 . 17015 1 42 . 1 1 6 6 PHE HE1 H 1 7.41 . . 3 . . . . 6 PHE HE1 . 17015 1 43 . 1 1 6 6 PHE HE2 H 1 7.41 . . 3 . . . . 6 PHE HE2 . 17015 1 44 . 1 1 6 6 PHE HZ H 1 7.37 . . 1 . . . . 6 PHE HZ . 17015 1 45 . 1 1 6 6 PHE CA C 13 60.0 . . 1 . . . . 6 PHE CA . 17015 1 46 . 1 1 7 7 LYS H H 1 7.96 . . 1 . . . . 7 LYS H . 17015 1 47 . 1 1 7 7 LYS HA H 1 4.08 . . 1 . . . . 7 LYS HA . 17015 1 48 . 1 1 7 7 LYS HB2 H 1 2.03 . . 2 . . . . 7 LYS HB2 . 17015 1 49 . 1 1 7 7 LYS HB3 H 1 1.94 . . 2 . . . . 7 LYS HB3 . 17015 1 50 . 1 1 7 7 LYS HD2 H 1 1.79 . . 2 . . . . 7 LYS HD2 . 17015 1 51 . 1 1 7 7 LYS HD3 H 1 1.79 . . 2 . . . . 7 LYS HD3 . 17015 1 52 . 1 1 7 7 LYS HE2 H 1 3.07 . . 2 . . . . 7 LYS HE2 . 17015 1 53 . 1 1 7 7 LYS HE3 H 1 3.07 . . 2 . . . . 7 LYS HE3 . 17015 1 54 . 1 1 7 7 LYS HG2 H 1 1.52 . . 2 . . . . 7 LYS HG2 . 17015 1 55 . 1 1 7 7 LYS HG3 H 1 1.42 . . 2 . . . . 7 LYS HG3 . 17015 1 56 . 1 1 7 7 LYS CA C 13 58.4 . . 1 . . . . 7 LYS CA . 17015 1 57 . 1 1 8 8 PHE H H 1 7.93 . . 1 . . . . 8 PHE H . 17015 1 58 . 1 1 8 8 PHE HA H 1 4.43 . . 1 . . . . 8 PHE HA . 17015 1 59 . 1 1 8 8 PHE HB2 H 1 3.43 . . 2 . . . . 8 PHE HB2 . 17015 1 60 . 1 1 8 8 PHE HB3 H 1 3.35 . . 2 . . . . 8 PHE HB3 . 17015 1 61 . 1 1 8 8 PHE HD1 H 1 7.36 . . 3 . . . . 8 PHE HD1 . 17015 1 62 . 1 1 8 8 PHE HD2 H 1 7.36 . . 3 . . . . 8 PHE HD2 . 17015 1 63 . 1 1 8 8 PHE HE1 H 1 7.40 . . 3 . . . . 8 PHE HE1 . 17015 1 64 . 1 1 8 8 PHE HE2 H 1 7.40 . . 3 . . . . 8 PHE HE2 . 17015 1 65 . 1 1 8 8 PHE HZ H 1 7.30 . . 1 . . . . 8 PHE HZ . 17015 1 66 . 1 1 8 8 PHE CA C 13 59.7 . . 1 . . . . 8 PHE CA . 17015 1 67 . 1 1 9 9 LEU H H 1 8.53 . . 1 . . . . 9 LEU H . 17015 1 68 . 1 1 9 9 LEU HA H 1 4.07 . . 1 . . . . 9 LEU HA . 17015 1 69 . 1 1 9 9 LEU HB2 H 1 1.92 . . 2 . . . . 9 LEU HB2 . 17015 1 70 . 1 1 9 9 LEU HB3 H 1 1.69 . . 2 . . . . 9 LEU HB3 . 17015 1 71 . 1 1 9 9 LEU HD11 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1 72 . 1 1 9 9 LEU HD12 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1 73 . 1 1 9 9 LEU HD13 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1 74 . 1 1 9 9 LEU HD21 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1 75 . 1 1 9 9 LEU HD22 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1 76 . 1 1 9 9 LEU HD23 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1 77 . 1 1 9 9 LEU HG H 1 1.96 . . 1 . . . . 9 LEU HG . 17015 1 78 . 1 1 9 9 LEU CA C 13 56.9 . . 1 . . . . 9 LEU CA . 17015 1 79 . 1 1 10 10 ALA H H 1 8.42 . . 1 . . . . 10 ALA H . 17015 1 80 . 1 1 10 10 ALA HA H 1 4.01 . . 1 . . . . 10 ALA HA . 17015 1 81 . 1 1 10 10 ALA HB1 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1 82 . 1 1 10 10 ALA HB2 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1 83 . 1 1 10 10 ALA HB3 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1 84 . 1 1 10 10 ALA CA C 13 54.2 . . 1 . . . . 10 ALA CA . 17015 1 85 . 1 1 11 11 LYS H H 1 7.70 . . 1 . . . . 11 LYS H . 17015 1 86 . 1 1 11 11 LYS HA H 1 4.13 . . 1 . . . . 11 LYS HA . 17015 1 87 . 1 1 11 11 LYS HB2 H 1 2.06 . . 2 . . . . 11 LYS HB2 . 17015 1 88 . 1 1 11 11 LYS HB3 H 1 2.06 . . 2 . . . . 11 LYS HB3 . 17015 1 89 . 1 1 11 11 LYS HD2 H 1 1.96 . . 2 . . . . 11 LYS HD2 . 17015 1 90 . 1 1 11 11 LYS HD3 H 1 1.96 . . 2 . . . . 11 LYS HD3 . 17015 1 91 . 1 1 11 11 LYS HE2 H 1 3.06 . . 2 . . . . 11 LYS HE2 . 17015 1 92 . 1 1 11 11 LYS HE3 H 1 3.06 . . 2 . . . . 11 LYS HE3 . 17015 1 93 . 1 1 11 11 LYS HG2 H 1 1.62 . . 2 . . . . 11 LYS HG2 . 17015 1 94 . 1 1 11 11 LYS HG3 H 1 1.62 . . 2 . . . . 11 LYS HG3 . 17015 1 95 . 1 1 11 11 LYS CA C 13 58.0 . . 1 . . . . 11 LYS CA . 17015 1 96 . 1 1 12 12 LYS H H 1 7.94 . . 1 . . . . 12 LYS H . 17015 1 97 . 1 1 12 12 LYS HA H 1 4.07 . . 1 . . . . 12 LYS HA . 17015 1 98 . 1 1 12 12 LYS HB2 H 1 2.03 . . 2 . . . . 12 LYS HB2 . 17015 1 99 . 1 1 12 12 LYS HB3 H 1 2.03 . . 2 . . . . 12 LYS HB3 . 17015 1 100 . 1 1 12 12 LYS HD2 H 1 1.92 . . 2 . . . . 12 LYS HD2 . 17015 1 101 . 1 1 12 12 LYS HD3 H 1 1.92 . . 2 . . . . 12 LYS HD3 . 17015 1 102 . 1 1 12 12 LYS HE2 H 1 3.04 . . 2 . . . . 12 LYS HE2 . 17015 1 103 . 1 1 12 12 LYS HE3 H 1 3.04 . . 2 . . . . 12 LYS HE3 . 17015 1 104 . 1 1 12 12 LYS HG2 H 1 1.43 . . 2 . . . . 12 LYS HG2 . 17015 1 105 . 1 1 12 12 LYS HG3 H 1 1.43 . . 2 . . . . 12 LYS HG3 . 17015 1 106 . 1 1 12 12 LYS CA C 13 58.1 . . 1 . . . . 12 LYS CA . 17015 1 107 . 1 1 13 13 VAL H H 1 8.72 . . 1 . . . . 13 VAL H . 17015 1 108 . 1 1 13 13 VAL HA H 1 3.67 . . 1 . . . . 13 VAL HA . 17015 1 109 . 1 1 13 13 VAL HB H 1 2.27 . . 1 . . . . 13 VAL HB . 17015 1 110 . 1 1 13 13 VAL HG11 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1 111 . 1 1 13 13 VAL HG12 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1 112 . 1 1 13 13 VAL HG13 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1 113 . 1 1 13 13 VAL HG21 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1 114 . 1 1 13 13 VAL HG22 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1 115 . 1 1 13 13 VAL HG23 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1 116 . 1 1 13 13 VAL CA C 13 66.1 . . 1 . . . . 13 VAL CA . 17015 1 117 . 1 1 14 14 ALA H H 1 8.30 . . 1 . . . . 14 ALA H . 17015 1 118 . 1 1 14 14 ALA HA H 1 4.11 . . 1 . . . . 14 ALA HA . 17015 1 119 . 1 1 14 14 ALA HB1 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1 120 . 1 1 14 14 ALA HB2 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1 121 . 1 1 14 14 ALA HB3 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1 122 . 1 1 14 14 ALA CA C 13 54.7 . . 1 . . . . 14 ALA CA . 17015 1 123 . 1 1 15 15 LYS H H 1 8.19 . . 1 . . . . 15 LYS H . 17015 1 124 . 1 1 15 15 LYS HA H 1 4.15 . . 1 . . . . 15 LYS HA . 17015 1 125 . 1 1 15 15 LYS HB2 H 1 2.08 . . 2 . . . . 15 LYS HB2 . 17015 1 126 . 1 1 15 15 LYS HB3 H 1 2.01 . . 2 . . . . 15 LYS HB3 . 17015 1 127 . 1 1 15 15 LYS HD2 H 1 1.79 . . 2 . . . . 15 LYS HD2 . 17015 1 128 . 1 1 15 15 LYS HD3 H 1 1.79 . . 2 . . . . 15 LYS HD3 . 17015 1 129 . 1 1 15 15 LYS HE2 H 1 3.07 . . 2 . . . . 15 LYS HE2 . 17015 1 130 . 1 1 15 15 LYS HE3 H 1 3.07 . . 2 . . . . 15 LYS HE3 . 17015 1 131 . 1 1 15 15 LYS HG2 H 1 1.62 . . 2 . . . . 15 LYS HG2 . 17015 1 132 . 1 1 15 15 LYS HG3 H 1 1.62 . . 2 . . . . 15 LYS HG3 . 17015 1 133 . 1 1 15 15 LYS CA C 13 58.2 . . 1 . . . . 15 LYS CA . 17015 1 134 . 1 1 16 16 THR H H 1 8.02 . . 1 . . . . 16 THR H . 17015 1 135 . 1 1 16 16 THR HA H 1 4.05 . . 1 . . . . 16 THR HA . 17015 1 136 . 1 1 16 16 THR HB H 1 4.61 . . 1 . . . . 16 THR HB . 17015 1 137 . 1 1 16 16 THR HG21 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1 138 . 1 1 16 16 THR HG22 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1 139 . 1 1 16 16 THR HG23 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1 140 . 1 1 16 16 THR CA C 13 66.1 . . 1 . . . . 16 THR CA . 17015 1 141 . 1 1 17 17 VAL H H 1 8.66 . . 1 . . . . 17 VAL H . 17015 1 142 . 1 1 17 17 VAL HA H 1 3.74 . . 1 . . . . 17 VAL HA . 17015 1 143 . 1 1 17 17 VAL HB H 1 2.26 . . 1 . . . . 17 VAL HB . 17015 1 144 . 1 1 17 17 VAL HG11 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1 145 . 1 1 17 17 VAL HG12 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1 146 . 1 1 17 17 VAL HG13 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1 147 . 1 1 17 17 VAL HG21 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1 148 . 1 1 17 17 VAL HG22 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1 149 . 1 1 17 17 VAL HG23 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1 150 . 1 1 17 17 VAL CA C 13 65.6 . . 1 . . . . 17 VAL CA . 17015 1 151 . 1 1 18 18 ALA H H 1 8.25 . . 1 . . . . 18 ALA H . 17015 1 152 . 1 1 18 18 ALA HA H 1 4.19 . . 1 . . . . 18 ALA HA . 17015 1 153 . 1 1 18 18 ALA HB1 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1 154 . 1 1 18 18 ALA HB2 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1 155 . 1 1 18 18 ALA HB3 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1 156 . 1 1 18 18 ALA CA C 13 54.1 . . 1 . . . . 18 ALA CA . 17015 1 157 . 1 1 19 19 LYS H H 1 7.98 . . 1 . . . . 19 LYS H . 17015 1 158 . 1 1 19 19 LYS HA H 1 4.19 . . 1 . . . . 19 LYS HA . 17015 1 159 . 1 1 19 19 LYS HB2 H 1 2.15 . . 2 . . . . 19 LYS HB2 . 17015 1 160 . 1 1 19 19 LYS HB3 H 1 2.09 . . 2 . . . . 19 LYS HB3 . 17015 1 161 . 1 1 19 19 LYS HD2 H 1 1.84 . . 2 . . . . 19 LYS HD2 . 17015 1 162 . 1 1 19 19 LYS HD3 H 1 1.84 . . 2 . . . . 19 LYS HD3 . 17015 1 163 . 1 1 19 19 LYS HE2 H 1 3.09 . . 2 . . . . 19 LYS HE2 . 17015 1 164 . 1 1 19 19 LYS HE3 H 1 3.09 . . 2 . . . . 19 LYS HE3 . 17015 1 165 . 1 1 19 19 LYS HG2 H 1 1.63 . . 2 . . . . 19 LYS HG2 . 17015 1 166 . 1 1 19 19 LYS HG3 H 1 1.63 . . 2 . . . . 19 LYS HG3 . 17015 1 167 . 1 1 19 19 LYS CA C 13 58.2 . . 1 . . . . 19 LYS CA . 17015 1 168 . 1 1 20 20 GLN H H 1 8.13 . . 1 . . . . 20 GLN H . 17015 1 169 . 1 1 20 20 GLN HA H 1 4.26 . . 1 . . . . 20 GLN HA . 17015 1 170 . 1 1 20 20 GLN HB2 H 1 2.36 . . 2 . . . . 20 GLN HB2 . 17015 1 171 . 1 1 20 20 GLN HB3 H 1 2.30 . . 2 . . . . 20 GLN HB3 . 17015 1 172 . 1 1 20 20 GLN HE21 H 1 7.25 . . 2 . . . . 20 GLN HE21 . 17015 1 173 . 1 1 20 20 GLN HE22 H 1 6.72 . . 2 . . . . 20 GLN HE22 . 17015 1 174 . 1 1 20 20 GLN HG2 H 1 2.59 . . 2 . . . . 20 GLN HG2 . 17015 1 175 . 1 1 20 20 GLN HG3 H 1 2.59 . . 2 . . . . 20 GLN HG3 . 17015 1 176 . 1 1 20 20 GLN CA C 13 57.0 . . 1 . . . . 20 GLN CA . 17015 1 177 . 1 1 21 21 ALA H H 1 8.75 . . 1 . . . . 21 ALA H . 17015 1 178 . 1 1 21 21 ALA HA H 1 4.21 . . 1 . . . . 21 ALA HA . 17015 1 179 . 1 1 21 21 ALA HB1 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1 180 . 1 1 21 21 ALA HB2 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1 181 . 1 1 21 21 ALA HB3 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1 182 . 1 1 21 21 ALA CA C 13 54.0 . . 1 . . . . 21 ALA CA . 17015 1 183 . 1 1 22 22 ALA H H 1 8.15 . . 1 . . . . 22 ALA H . 17015 1 184 . 1 1 22 22 ALA HA H 1 4.28 . . 1 . . . . 22 ALA HA . 17015 1 185 . 1 1 22 22 ALA HB1 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1 186 . 1 1 22 22 ALA HB2 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1 187 . 1 1 22 22 ALA HB3 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1 188 . 1 1 22 22 ALA CA C 13 53.7 . . 1 . . . . 22 ALA CA . 17015 1 189 . 1 1 23 23 LYS H H 1 7.95 . . 1 . . . . 23 LYS H . 17015 1 190 . 1 1 23 23 LYS HA H 1 4.22 . . 1 . . . . 23 LYS HA . 17015 1 191 . 1 1 23 23 LYS HB2 H 1 2.08 . . 2 . . . . 23 LYS HB2 . 17015 1 192 . 1 1 23 23 LYS HB3 H 1 2.08 . . 2 . . . . 23 LYS HB3 . 17015 1 193 . 1 1 23 23 LYS HD2 H 1 1.83 . . 2 . . . . 23 LYS HD2 . 17015 1 194 . 1 1 23 23 LYS HD3 H 1 1.77 . . 2 . . . . 23 LYS HD3 . 17015 1 195 . 1 1 23 23 LYS HE2 H 1 3.09 . . 2 . . . . 23 LYS HE2 . 17015 1 196 . 1 1 23 23 LYS HE3 H 1 3.09 . . 2 . . . . 23 LYS HE3 . 17015 1 197 . 1 1 23 23 LYS HG2 H 1 1.58 . . 2 . . . . 23 LYS HG2 . 17015 1 198 . 1 1 23 23 LYS HG3 H 1 1.58 . . 2 . . . . 23 LYS HG3 . 17015 1 199 . 1 1 23 23 LYS CA C 13 57.6 . . 1 . . . . 23 LYS CA . 17015 1 200 . 1 1 24 24 GLN H H 1 8.17 . . 1 . . . . 24 GLN H . 17015 1 201 . 1 1 24 24 GLN HA H 1 4.29 . . 1 . . . . 24 GLN HA . 17015 1 202 . 1 1 24 24 GLN HB2 H 1 2.29 . . 2 . . . . 24 GLN HB2 . 17015 1 203 . 1 1 24 24 GLN HB3 H 1 2.29 . . 2 . . . . 24 GLN HB3 . 17015 1 204 . 1 1 24 24 GLN HE21 H 1 7.31 . . 2 . . . . 24 GLN HE21 . 17015 1 205 . 1 1 24 24 GLN HE22 H 1 6.74 . . 2 . . . . 24 GLN HE22 . 17015 1 206 . 1 1 24 24 GLN HG2 H 1 2.57 . . 2 . . . . 24 GLN HG2 . 17015 1 207 . 1 1 24 24 GLN HG3 H 1 2.57 . . 2 . . . . 24 GLN HG3 . 17015 1 208 . 1 1 24 24 GLN CA C 13 56.7 . . 1 . . . . 24 GLN CA . 17015 1 209 . 1 1 25 25 GLY H H 1 8.35 . . 1 . . . . 25 GLY H . 17015 1 210 . 1 1 25 25 GLY HA2 H 1 4.10 . . 2 . . . . 25 GLY HA2 . 17015 1 211 . 1 1 25 25 GLY HA3 H 1 4.02 . . 2 . . . . 25 GLY HA3 . 17015 1 212 . 1 1 25 25 GLY CA C 13 45.4 . . 1 . . . . 25 GLY CA . 17015 1 213 . 1 1 26 26 ALA H H 1 8.03 . . 1 . . . . 26 ALA H . 17015 1 214 . 1 1 26 26 ALA HA H 1 4.28 . . 1 . . . . 26 ALA HA . 17015 1 215 . 1 1 26 26 ALA HB1 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1 216 . 1 1 26 26 ALA HB2 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1 217 . 1 1 26 26 ALA HB3 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1 218 . 1 1 26 26 ALA CA C 13 53.6 . . 1 . . . . 26 ALA CA . 17015 1 219 . 1 1 27 27 LYS H H 1 7.92 . . 1 . . . . 27 LYS H . 17015 1 220 . 1 1 27 27 LYS HA H 1 4.10 . . 1 . . . . 27 LYS HA . 17015 1 221 . 1 1 27 27 LYS HB2 H 1 1.92 . . 2 . . . . 27 LYS HB2 . 17015 1 222 . 1 1 27 27 LYS HB3 H 1 1.92 . . 2 . . . . 27 LYS HB3 . 17015 1 223 . 1 1 27 27 LYS HD2 H 1 1.75 . . 2 . . . . 27 LYS HD2 . 17015 1 224 . 1 1 27 27 LYS HD3 H 1 1.75 . . 2 . . . . 27 LYS HD3 . 17015 1 225 . 1 1 27 27 LYS HE2 H 1 3.06 . . 2 . . . . 27 LYS HE2 . 17015 1 226 . 1 1 27 27 LYS HE3 H 1 3.06 . . 2 . . . . 27 LYS HE3 . 17015 1 227 . 1 1 27 27 LYS HG2 H 1 1.58 . . 2 . . . . 27 LYS HG2 . 17015 1 228 . 1 1 27 27 LYS HG3 H 1 1.58 . . 2 . . . . 27 LYS HG3 . 17015 1 229 . 1 1 27 27 LYS CA C 13 57.4 . . 1 . . . . 27 LYS CA . 17015 1 230 . 1 1 28 28 TYR H H 1 7.86 . . 1 . . . . 28 TYR H . 17015 1 231 . 1 1 28 28 TYR HA H 1 4.46 . . 1 . . . . 28 TYR HA . 17015 1 232 . 1 1 28 28 TYR HB2 H 1 3.35 . . 2 . . . . 28 TYR HB2 . 17015 1 233 . 1 1 28 28 TYR HB3 H 1 3.19 . . 2 . . . . 28 TYR HB3 . 17015 1 234 . 1 1 28 28 TYR HD1 H 1 7.25 . . 3 . . . . 28 TYR HD1 . 17015 1 235 . 1 1 28 28 TYR HD2 H 1 7.25 . . 3 . . . . 28 TYR HD2 . 17015 1 236 . 1 1 28 28 TYR HE1 H 1 6.92 . . 3 . . . . 28 TYR HE1 . 17015 1 237 . 1 1 28 28 TYR HE2 H 1 6.92 . . 3 . . . . 28 TYR HE2 . 17015 1 238 . 1 1 28 28 TYR CA C 13 59.2 . . 1 . . . . 28 TYR CA . 17015 1 239 . 1 1 29 29 VAL H H 1 7.90 . . 1 . . . . 29 VAL H . 17015 1 240 . 1 1 29 29 VAL HA H 1 3.84 . . 1 . . . . 29 VAL HA . 17015 1 241 . 1 1 29 29 VAL HB H 1 2.32 . . 1 . . . . 29 VAL HB . 17015 1 242 . 1 1 29 29 VAL HG11 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1 243 . 1 1 29 29 VAL HG12 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1 244 . 1 1 29 29 VAL HG13 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1 245 . 1 1 29 29 VAL HG21 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1 246 . 1 1 29 29 VAL HG22 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1 247 . 1 1 29 29 VAL HG23 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1 248 . 1 1 29 29 VAL CA C 13 64.3 . . 1 . . . . 29 VAL CA . 17015 1 249 . 1 1 30 30 VAL H H 1 8.20 . . 1 . . . . 30 VAL H . 17015 1 250 . 1 1 30 30 VAL HA H 1 3.90 . . 1 . . . . 30 VAL HA . 17015 1 251 . 1 1 30 30 VAL HB H 1 2.20 . . 1 . . . . 30 VAL HB . 17015 1 252 . 1 1 30 30 VAL HG11 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1 253 . 1 1 30 30 VAL HG12 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1 254 . 1 1 30 30 VAL HG13 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1 255 . 1 1 30 30 VAL HG21 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1 256 . 1 1 30 30 VAL HG22 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1 257 . 1 1 30 30 VAL HG23 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1 258 . 1 1 30 30 VAL CA C 13 64.3 . . 1 . . . . 30 VAL CA . 17015 1 259 . 1 1 31 31 ASN H H 1 8.15 . . 1 . . . . 31 ASN H . 17015 1 260 . 1 1 31 31 ASN HA H 1 4.61 . . 1 . . . . 31 ASN HA . 17015 1 261 . 1 1 31 31 ASN HB2 H 1 2.95 . . 2 . . . . 31 ASN HB2 . 17015 1 262 . 1 1 31 31 ASN HB3 H 1 2.88 . . 2 . . . . 31 ASN HB3 . 17015 1 263 . 1 1 31 31 ASN HD21 H 1 7.54 . . 2 . . . . 31 ASN HD21 . 17015 1 264 . 1 1 31 31 ASN HD22 H 1 6.73 . . 2 . . . . 31 ASN HD22 . 17015 1 265 . 1 1 31 31 ASN CA C 13 54.6 . . 1 . . . . 31 ASN CA . 17015 1 266 . 1 1 32 32 LYS H H 1 8.15 . . 1 . . . . 32 LYS H . 17015 1 267 . 1 1 32 32 LYS HA H 1 4.17 . . 1 . . . . 32 LYS HA . 17015 1 268 . 1 1 32 32 LYS HB2 H 1 1.96 . . 2 . . . . 32 LYS HB2 . 17015 1 269 . 1 1 32 32 LYS HB3 H 1 1.94 . . 2 . . . . 32 LYS HB3 . 17015 1 270 . 1 1 32 32 LYS HD2 H 1 1.76 . . 2 . . . . 32 LYS HD2 . 17015 1 271 . 1 1 32 32 LYS HD3 H 1 1.76 . . 2 . . . . 32 LYS HD3 . 17015 1 272 . 1 1 32 32 LYS HE2 H 1 3.06 . . 2 . . . . 32 LYS HE2 . 17015 1 273 . 1 1 32 32 LYS HE3 H 1 3.06 . . 2 . . . . 32 LYS HE3 . 17015 1 274 . 1 1 32 32 LYS HG2 H 1 1.50 . . 2 . . . . 32 LYS HG2 . 17015 1 275 . 1 1 32 32 LYS HG3 H 1 1.50 . . 2 . . . . 32 LYS HG3 . 17015 1 276 . 1 1 32 32 LYS CA C 13 57.0 . . 1 . . . . 32 LYS CA . 17015 1 277 . 1 1 33 33 GLN H H 1 8.31 . . 1 . . . . 33 GLN H . 17015 1 278 . 1 1 33 33 GLN HA H 1 4.27 . . 1 . . . . 33 GLN HA . 17015 1 279 . 1 1 33 33 GLN HB2 H 1 2.28 . . 2 . . . . 33 GLN HB2 . 17015 1 280 . 1 1 33 33 GLN HB3 H 1 2.28 . . 2 . . . . 33 GLN HB3 . 17015 1 281 . 1 1 33 33 GLN HE21 H 1 7.18 . . 2 . . . . 33 GLN HE21 . 17015 1 282 . 1 1 33 33 GLN HE22 H 1 6.62 . . 2 . . . . 33 GLN HE22 . 17015 1 283 . 1 1 33 33 GLN HG2 H 1 2.53 . . 2 . . . . 33 GLN HG2 . 17015 1 284 . 1 1 33 33 GLN HG3 H 1 2.53 . . 2 . . . . 33 GLN HG3 . 17015 1 285 . 1 1 33 33 GLN CA C 13 56.8 . . 1 . . . . 33 GLN CA . 17015 1 286 . 1 1 34 34 MET H H 1 8.20 . . 1 . . . . 34 MET H . 17015 1 287 . 1 1 34 34 MET HA H 1 4.46 . . 1 . . . . 34 MET HA . 17015 1 288 . 1 1 34 34 MET HB2 H 1 2.26 . . 2 . . . . 34 MET HB2 . 17015 1 289 . 1 1 34 34 MET HB3 H 1 2.26 . . 2 . . . . 34 MET HB3 . 17015 1 290 . 1 1 34 34 MET HE1 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1 291 . 1 1 34 34 MET HE2 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1 292 . 1 1 34 34 MET HE3 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1 293 . 1 1 34 34 MET HG2 H 1 2.81 . . 2 . . . . 34 MET HG2 . 17015 1 294 . 1 1 34 34 MET HG3 H 1 2.68 . . 2 . . . . 34 MET HG3 . 17015 1 295 . 1 1 34 34 MET CA C 13 55.7 . . 1 . . . . 34 MET CA . 17015 1 296 . 1 1 35 35 GLU H H 1 7.93 . . 1 . . . . 35 GLU H . 17015 1 297 . 1 1 35 35 GLU HA H 1 4.38 . . 1 . . . . 35 GLU HA . 17015 1 298 . 1 1 35 35 GLU HB2 H 1 2.29 . . 2 . . . . 35 GLU HB2 . 17015 1 299 . 1 1 35 35 GLU HB3 H 1 2.19 . . 2 . . . . 35 GLU HB3 . 17015 1 300 . 1 1 35 35 GLU HG2 H 1 2.68 . . 2 . . . . 35 GLU HG2 . 17015 1 301 . 1 1 35 35 GLU HG3 H 1 2.59 . . 2 . . . . 35 GLU HG3 . 17015 1 302 . 1 1 35 35 GLU CA C 13 55.0 . . 1 . . . . 35 GLU CA . 17015 1 stop_ save_