################################### # 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 19142 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-15N HSQC' . . . 19142 1 3 '2D 1H-1H TOCSY' . . . 19142 1 4 '2D 1H-1H NOESY' . . . 19142 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 ILE HA H 1 3.885 0.02 . 1 . . . A 1 ILE HA . 19142 1 2 . 1 1 1 1 ILE HB H 1 1.968 0.02 . 1 . . . A 1 ILE HB . 19142 1 3 . 1 1 1 1 ILE HG12 H 1 1.501 0.02 . 2 . . . A 1 ILE HG12 . 19142 1 4 . 1 1 1 1 ILE HG13 H 1 1.222 0.02 . 2 . . . A 1 ILE HG13 . 19142 1 5 . 1 1 1 1 ILE HG21 H 1 0.991 0.02 . 1 . . . A 1 ILE HG21 . 19142 1 6 . 1 1 1 1 ILE HG22 H 1 0.991 0.02 . 1 . . . A 1 ILE HG22 . 19142 1 7 . 1 1 1 1 ILE HG23 H 1 0.991 0.02 . 1 . . . A 1 ILE HG23 . 19142 1 8 . 1 1 1 1 ILE HD11 H 1 0.927 0.02 . 1 . . . A 1 ILE HD11 . 19142 1 9 . 1 1 1 1 ILE HD12 H 1 0.927 0.02 . 1 . . . A 1 ILE HD12 . 19142 1 10 . 1 1 1 1 ILE HD13 H 1 0.927 0.02 . 1 . . . A 1 ILE HD13 . 19142 1 11 . 1 1 1 1 ILE CA C 13 60.564 0.3 . 1 . . . A 1 ILE CA . 19142 1 12 . 1 1 1 1 ILE CB C 13 39.308 0.3 . 1 . . . A 1 ILE CB . 19142 1 13 . 1 1 1 1 ILE CG1 C 13 26.728 0.3 . 1 . . . A 1 ILE CG1 . 19142 1 14 . 1 1 1 1 ILE CG2 C 13 16.939 0.3 . 1 . . . A 1 ILE CG2 . 19142 1 15 . 1 1 1 1 ILE CD1 C 13 13.211 0.3 . 1 . . . A 1 ILE CD1 . 19142 1 16 . 1 1 2 2 LYS H H 1 8.713 0.02 . 1 . . . A 2 LYS H . 19142 1 17 . 1 1 2 2 LYS HA H 1 4.739 0.02 . 1 . . . A 2 LYS HA . 19142 1 18 . 1 1 2 2 LYS HB2 H 1 1.739 0.02 . 1 . . . A 2 LYS HB2 . 19142 1 19 . 1 1 2 2 LYS HB3 H 1 1.739 0.02 . 1 . . . A 2 LYS HB3 . 19142 1 20 . 1 1 2 2 LYS HG2 H 1 1.411 0.02 . 2 . . . A 2 LYS HG2 . 19142 1 21 . 1 1 2 2 LYS HG3 H 1 1.353 0.02 . 2 . . . A 2 LYS HG3 . 19142 1 22 . 1 1 2 2 LYS HD2 H 1 1.612 0.02 . 1 . . . A 2 LYS HD2 . 19142 1 23 . 1 1 2 2 LYS HD3 H 1 1.612 0.02 . 1 . . . A 2 LYS HD3 . 19142 1 24 . 1 1 2 2 LYS HE2 H 1 2.935 0.02 . 1 . . . A 2 LYS HE2 . 19142 1 25 . 1 1 2 2 LYS HE3 H 1 2.935 0.02 . 1 . . . A 2 LYS HE3 . 19142 1 26 . 1 1 2 2 LYS CB C 13 34.071 0.3 . 1 . . . A 2 LYS CB . 19142 1 27 . 1 1 2 2 LYS CG C 13 24.854 0.3 . 1 . . . A 2 LYS CG . 19142 1 28 . 1 1 2 2 LYS CD C 13 29.460 0.3 . 1 . . . A 2 LYS CD . 19142 1 29 . 1 1 3 3 SER H H 1 8.714 0.02 . 1 . . . A 3 SER H . 19142 1 30 . 1 1 3 3 SER HA H 1 4.634 0.02 . 1 . . . A 3 SER HA . 19142 1 31 . 1 1 3 3 SER HB2 H 1 3.791 0.02 . 1 . . . A 3 SER HB2 . 19142 1 32 . 1 1 3 3 SER HB3 H 1 3.791 0.02 . 1 . . . A 3 SER HB3 . 19142 1 33 . 1 1 3 3 SER CB C 13 64.237 0.3 . 1 . . . A 3 SER CB . 19142 1 34 . 1 1 3 3 SER N N 15 119.185 0.2 . 1 . . . A 3 SER N . 19142 1 35 . 1 1 4 4 CYS H H 1 8.709 0.02 . 1 . . . A 4 CYS H . 19142 1 36 . 1 1 4 4 CYS HA H 1 5.304 0.02 . 1 . . . A 4 CYS HA . 19142 1 37 . 1 1 4 4 CYS HB2 H 1 3.007 0.02 . 2 . . . A 4 CYS HB2 . 19142 1 38 . 1 1 4 4 CYS HB3 H 1 2.785 0.02 . 2 . . . A 4 CYS HB3 . 19142 1 39 . 1 1 4 4 CYS CB C 13 42.045 0.3 . 1 . . . A 4 CYS CB . 19142 1 40 . 1 1 4 4 CYS N N 15 123.655 0.2 . 1 . . . A 4 CYS N . 19142 1 41 . 1 1 5 5 GLU H H 1 8.754 0.02 . 1 . . . A 5 GLU H . 19142 1 42 . 1 1 5 5 GLU HA H 1 4.530 0.02 . 1 . . . A 5 GLU HA . 19142 1 43 . 1 1 5 5 GLU HB2 H 1 1.916 0.02 . 1 . . . A 5 GLU HB2 . 19142 1 44 . 1 1 5 5 GLU HB3 H 1 1.916 0.02 . 1 . . . A 5 GLU HB3 . 19142 1 45 . 1 1 5 5 GLU HG2 H 1 2.233 0.02 . 2 . . . A 5 GLU HG2 . 19142 1 46 . 1 1 5 5 GLU HG3 H 1 2.149 0.02 . 2 . . . A 5 GLU HG3 . 19142 1 47 . 1 1 5 5 GLU CB C 13 32.354 0.3 . 1 . . . A 5 GLU CB . 19142 1 48 . 1 1 5 5 GLU CG C 13 34.808 0.3 . 1 . . . A 5 GLU CG . 19142 1 49 . 1 1 5 5 GLU N N 15 122.846 0.2 . 1 . . . A 5 GLU N . 19142 1 50 . 1 1 6 6 THR H H 1 8.314 0.02 . 1 . . . A 6 THR H . 19142 1 51 . 1 1 6 6 THR HA H 1 4.837 0.02 . 1 . . . A 6 THR HA . 19142 1 52 . 1 1 6 6 THR HB H 1 3.914 0.02 . 1 . . . A 6 THR HB . 19142 1 53 . 1 1 6 6 THR HG21 H 1 1.060 0.02 . 1 . . . A 6 THR HG21 . 19142 1 54 . 1 1 6 6 THR HG22 H 1 1.060 0.02 . 1 . . . A 6 THR HG22 . 19142 1 55 . 1 1 6 6 THR HG23 H 1 1.060 0.02 . 1 . . . A 6 THR HG23 . 19142 1 56 . 1 1 6 6 THR CB C 13 69.935 0.3 . 1 . . . A 6 THR CB . 19142 1 57 . 1 1 6 6 THR CG2 C 13 21.794 0.3 . 1 . . . A 6 THR CG2 . 19142 1 58 . 1 1 6 6 THR N N 15 117.072 0.2 . 1 . . . A 6 THR N . 19142 1 59 . 1 1 7 7 PHE H H 1 9.018 0.02 . 1 . . . A 7 PHE H . 19142 1 60 . 1 1 7 7 PHE HA H 1 4.798 0.02 . 1 . . . A 7 PHE HA . 19142 1 61 . 1 1 7 7 PHE HB2 H 1 3.075 0.02 . 2 . . . A 7 PHE HB2 . 19142 1 62 . 1 1 7 7 PHE HB3 H 1 2.844 0.02 . 2 . . . A 7 PHE HB3 . 19142 1 63 . 1 1 7 7 PHE HD1 H 1 7.164 0.02 . 1 . . . A 7 PHE HD1 . 19142 1 64 . 1 1 7 7 PHE HD2 H 1 7.164 0.02 . 1 . . . A 7 PHE HD2 . 19142 1 65 . 1 1 7 7 PHE HE1 H 1 7.246 0.02 . 1 . . . A 7 PHE HE1 . 19142 1 66 . 1 1 7 7 PHE HE2 H 1 7.246 0.02 . 1 . . . A 7 PHE HE2 . 19142 1 67 . 1 1 7 7 PHE HZ H 1 7.216 0.02 . 1 . . . A 7 PHE HZ . 19142 1 68 . 1 1 7 7 PHE CB C 13 41.581 0.3 . 1 . . . A 7 PHE CB . 19142 1 69 . 1 1 7 7 PHE CD1 C 13 132.039 0.3 . 1 . . . A 7 PHE CD1 . 19142 1 70 . 1 1 7 7 PHE CD2 C 13 132.039 0.3 . 1 . . . A 7 PHE CD2 . 19142 1 71 . 1 1 7 7 PHE CE1 C 13 131.297 0.3 . 1 . . . A 7 PHE CE1 . 19142 1 72 . 1 1 7 7 PHE CE2 C 13 131.297 0.3 . 1 . . . A 7 PHE CE2 . 19142 1 73 . 1 1 7 7 PHE CZ C 13 129.735 0.3 . 1 . . . A 7 PHE CZ . 19142 1 74 . 1 1 8 8 ILE H H 1 8.542 0.02 . 1 . . . A 8 ILE H . 19142 1 75 . 1 1 8 8 ILE HA H 1 4.694 0.02 . 1 . . . A 8 ILE HA . 19142 1 76 . 1 1 8 8 ILE HB H 1 1.811 0.02 . 1 . . . A 8 ILE HB . 19142 1 77 . 1 1 8 8 ILE HG12 H 1 1.481 0.02 . 2 . . . A 8 ILE HG12 . 19142 1 78 . 1 1 8 8 ILE HG13 H 1 1.152 0.02 . 2 . . . A 8 ILE HG13 . 19142 1 79 . 1 1 8 8 ILE HG21 H 1 0.815 0.02 . 1 . . . A 8 ILE HG21 . 19142 1 80 . 1 1 8 8 ILE HG22 H 1 0.815 0.02 . 1 . . . A 8 ILE HG22 . 19142 1 81 . 1 1 8 8 ILE HG23 H 1 0.815 0.02 . 1 . . . A 8 ILE HG23 . 19142 1 82 . 1 1 8 8 ILE HD11 H 1 0.770 0.02 . 1 . . . A 8 ILE HD11 . 19142 1 83 . 1 1 8 8 ILE HD12 H 1 0.770 0.02 . 1 . . . A 8 ILE HD12 . 19142 1 84 . 1 1 8 8 ILE HD13 H 1 0.770 0.02 . 1 . . . A 8 ILE HD13 . 19142 1 85 . 1 1 8 8 ILE CB C 13 37.983 0.3 . 1 . . . A 8 ILE CB . 19142 1 86 . 1 1 8 8 ILE CG1 C 13 27.511 0.3 . 1 . . . A 8 ILE CG1 . 19142 1 87 . 1 1 8 8 ILE CG2 C 13 17.959 0.3 . 1 . . . A 8 ILE CG2 . 19142 1 88 . 1 1 8 8 ILE CD1 C 13 12.112 0.3 . 1 . . . A 8 ILE CD1 . 19142 1 89 . 1 1 8 8 ILE N N 15 121.914 0.2 . 1 . . . A 8 ILE N . 19142 1 90 . 1 1 9 9 VAL H H 1 8.714 0.02 . 1 . . . A 9 VAL H . 19142 1 91 . 1 1 9 9 VAL HA H 1 4.555 0.02 . 1 . . . A 9 VAL HA . 19142 1 92 . 1 1 9 9 VAL HB H 1 2.100 0.02 . 1 . . . A 9 VAL HB . 19142 1 93 . 1 1 9 9 VAL HG11 H 1 0.877 0.02 . 2 . . . A 9 VAL HG11 . 19142 1 94 . 1 1 9 9 VAL HG12 H 1 0.877 0.02 . 2 . . . A 9 VAL HG12 . 19142 1 95 . 1 1 9 9 VAL HG13 H 1 0.877 0.02 . 2 . . . A 9 VAL HG13 . 19142 1 96 . 1 1 9 9 VAL HG21 H 1 0.809 0.02 . 2 . . . A 9 VAL HG21 . 19142 1 97 . 1 1 9 9 VAL HG22 H 1 0.809 0.02 . 2 . . . A 9 VAL HG22 . 19142 1 98 . 1 1 9 9 VAL HG23 H 1 0.809 0.02 . 2 . . . A 9 VAL HG23 . 19142 1 99 . 1 1 9 9 VAL CB C 13 35.122 0.3 . 1 . . . A 9 VAL CB . 19142 1 100 . 1 1 9 9 VAL CG1 C 13 21.418 0.3 . 1 . . . A 9 VAL CG1 . 19142 1 101 . 1 1 9 9 VAL CG2 C 13 19.765 0.3 . 1 . . . A 9 VAL CG2 . 19142 1 102 . 1 1 9 9 VAL N N 15 125.551 0.2 . 1 . . . A 9 VAL N . 19142 1 103 . 1 1 10 10 ALA H H 1 8.405 0.02 . 1 . . . A 10 ALA H . 19142 1 104 . 1 1 10 10 ALA HA H 1 4.646 0.02 . 1 . . . A 10 ALA HA . 19142 1 105 . 1 1 10 10 ALA HB1 H 1 1.353 0.02 . 1 . . . A 10 ALA HB1 . 19142 1 106 . 1 1 10 10 ALA HB2 H 1 1.353 0.02 . 1 . . . A 10 ALA HB2 . 19142 1 107 . 1 1 10 10 ALA HB3 H 1 1.353 0.02 . 1 . . . A 10 ALA HB3 . 19142 1 108 . 1 1 10 10 ALA CB C 13 18.917 0.3 . 1 . . . A 10 ALA CB . 19142 1 109 . 1 1 10 10 ALA N N 15 126.210 0.2 . 1 . . . A 10 ALA N . 19142 1 110 . 1 1 11 11 CYS H H 1 8.599 0.02 . 1 . . . A 11 CYS H . 19142 1 111 . 1 1 11 11 CYS HA H 1 4.930 0.02 . 1 . . . A 11 CYS HA . 19142 1 112 . 1 1 11 11 CYS HB2 H 1 3.188 0.02 . 1 . . . A 11 CYS HB2 . 19142 1 113 . 1 1 11 11 CYS HB3 H 1 3.188 0.02 . 1 . . . A 11 CYS HB3 . 19142 1 114 . 1 1 11 11 CYS CB C 13 42.835 0.3 . 1 . . . A 11 CYS CB . 19142 1 115 . 1 1 11 11 CYS N N 15 120.017 0.2 . 1 . . . A 11 CYS N . 19142 1 116 . 1 1 12 12 ASP H H 1 8.649 0.02 . 1 . . . A 12 ASP H . 19142 1 117 . 1 1 12 12 ASP HA H 1 4.450 0.02 . 1 . . . A 12 ASP HA . 19142 1 118 . 1 1 12 12 ASP HB2 H 1 2.808 0.02 . 2 . . . A 12 ASP HB2 . 19142 1 119 . 1 1 12 12 ASP HB3 H 1 2.663 0.02 . 2 . . . A 12 ASP HB3 . 19142 1 120 . 1 1 12 12 ASP CA C 13 54.846 0.3 . 1 . . . A 12 ASP CA . 19142 1 121 . 1 1 12 12 ASP CB C 13 39.776 0.3 . 1 . . . A 12 ASP CB . 19142 1 122 . 1 1 12 12 ASP N N 15 119.719 0.2 . 1 . . . A 12 ASP N . 19142 1 123 . 1 1 13 13 GLY H H 1 8.546 0.02 . 1 . . . A 13 GLY H . 19142 1 124 . 1 1 13 13 GLY HA2 H 1 4.026 0.02 . 2 . . . A 13 GLY HA2 . 19142 1 125 . 1 1 13 13 GLY HA3 H 1 3.793 0.02 . 2 . . . A 13 GLY HA3 . 19142 1 126 . 1 1 13 13 GLY CA C 13 46.260 0.3 . 1 . . . A 13 GLY CA . 19142 1 127 . 1 1 13 13 GLY N N 15 107.940 0.2 . 1 . . . A 13 GLY N . 19142 1 128 . 1 1 14 14 GLY H H 1 8.171 0.02 . 1 . . . A 14 GLY H . 19142 1 129 . 1 1 14 14 GLY HA2 H 1 4.119 0.02 . 2 . . . A 14 GLY HA2 . 19142 1 130 . 1 1 14 14 GLY HA3 H 1 3.802 0.02 . 2 . . . A 14 GLY HA3 . 19142 1 131 . 1 1 14 14 GLY CA C 13 45.480 0.3 . 1 . . . A 14 GLY CA . 19142 1 132 . 1 1 14 14 GLY N N 15 108.342 0.2 . 1 . . . A 14 GLY N . 19142 1 133 . 1 1 15 15 LYS H H 1 7.709 0.02 . 1 . . . A 15 LYS H . 19142 1 134 . 1 1 15 15 LYS HA H 1 4.378 0.02 . 1 . . . A 15 LYS HA . 19142 1 135 . 1 1 15 15 LYS HB2 H 1 1.871 0.02 . 2 . . . A 15 LYS HB2 . 19142 1 136 . 1 1 15 15 LYS HB3 H 1 1.836 0.02 . 2 . . . A 15 LYS HB3 . 19142 1 137 . 1 1 15 15 LYS HG2 H 1 1.477 0.02 . 2 . . . A 15 LYS HG2 . 19142 1 138 . 1 1 15 15 LYS HG3 H 1 1.395 0.02 . 2 . . . A 15 LYS HG3 . 19142 1 139 . 1 1 15 15 LYS HD2 H 1 1.696 0.02 . 1 . . . A 15 LYS HD2 . 19142 1 140 . 1 1 15 15 LYS HD3 H 1 1.696 0.02 . 1 . . . A 15 LYS HD3 . 19142 1 141 . 1 1 15 15 LYS HE2 H 1 3.015 0.02 . 1 . . . A 15 LYS HE2 . 19142 1 142 . 1 1 15 15 LYS HE3 H 1 3.015 0.02 . 1 . . . A 15 LYS HE3 . 19142 1 143 . 1 1 15 15 LYS HZ1 H 1 7.520 0.02 . 1 . . . A 15 LYS HZ1 . 19142 1 144 . 1 1 15 15 LYS HZ2 H 1 7.520 0.02 . 1 . . . A 15 LYS HZ2 . 19142 1 145 . 1 1 15 15 LYS HZ3 H 1 7.520 0.02 . 1 . . . A 15 LYS HZ3 . 19142 1 146 . 1 1 15 15 LYS CA C 13 55.874 0.3 . 1 . . . A 15 LYS CA . 19142 1 147 . 1 1 15 15 LYS CB C 13 33.597 0.3 . 1 . . . A 15 LYS CB . 19142 1 148 . 1 1 15 15 LYS CG C 13 25.159 0.3 . 1 . . . A 15 LYS CG . 19142 1 149 . 1 1 15 15 LYS CD C 13 29.086 0.3 . 1 . . . A 15 LYS CD . 19142 1 150 . 1 1 15 15 LYS CE C 13 42.358 0.3 . 1 . . . A 15 LYS CE . 19142 1 151 . 1 1 15 15 LYS N N 15 120.019 0.2 . 1 . . . A 15 LYS N . 19142 1 152 . 1 1 16 16 ALA H H 1 8.288 0.02 . 1 . . . A 16 ALA H . 19142 1 153 . 1 1 16 16 ALA HA H 1 4.646 0.02 . 1 . . . A 16 ALA HA . 19142 1 154 . 1 1 16 16 ALA HB1 H 1 1.271 0.02 . 1 . . . A 16 ALA HB1 . 19142 1 155 . 1 1 16 16 ALA HB2 H 1 1.271 0.02 . 1 . . . A 16 ALA HB2 . 19142 1 156 . 1 1 16 16 ALA HB3 H 1 1.271 0.02 . 1 . . . A 16 ALA HB3 . 19142 1 157 . 1 1 16 16 ALA CB C 13 19.305 0.3 . 1 . . . A 16 ALA CB . 19142 1 158 . 1 1 16 16 ALA N N 15 123.520 0.2 . 1 . . . A 16 ALA N . 19142 1 159 . 1 1 17 17 CYS H H 1 8.916 0.02 . 1 . . . A 17 CYS H . 19142 1 160 . 1 1 17 17 CYS HA H 1 4.870 0.02 . 1 . . . A 17 CYS HA . 19142 1 161 . 1 1 17 17 CYS HB2 H 1 3.075 0.02 . 2 . . . A 17 CYS HB2 . 19142 1 162 . 1 1 17 17 CYS HB3 H 1 2.980 0.02 . 2 . . . A 17 CYS HB3 . 19142 1 163 . 1 1 17 17 CYS CB C 13 40.951 0.3 . 1 . . . A 17 CYS CB . 19142 1 164 . 1 1 18 18 ARG H H 1 8.546 0.02 . 1 . . . A 18 ARG H . 19142 1 165 . 1 1 18 18 ARG HA H 1 4.811 0.02 . 1 . . . A 18 ARG HA . 19142 1 166 . 1 1 18 18 ARG HB2 H 1 1.659 0.02 . 1 . . . A 18 ARG HB2 . 19142 1 167 . 1 1 18 18 ARG HB3 H 1 1.659 0.02 . 1 . . . A 18 ARG HB3 . 19142 1 168 . 1 1 18 18 ARG HG2 H 1 1.543 0.02 . 2 . . . A 18 ARG HG2 . 19142 1 169 . 1 1 18 18 ARG HG3 H 1 1.424 0.02 . 2 . . . A 18 ARG HG3 . 19142 1 170 . 1 1 18 18 ARG HD2 H 1 3.122 0.02 . 1 . . . A 18 ARG HD2 . 19142 1 171 . 1 1 18 18 ARG HD3 H 1 3.122 0.02 . 1 . . . A 18 ARG HD3 . 19142 1 172 . 1 1 18 18 ARG HE H 1 7.216 0.02 . 1 . . . A 18 ARG HE . 19142 1 173 . 1 1 18 18 ARG CB C 13 31.645 0.3 . 1 . . . A 18 ARG CB . 19142 1 174 . 1 1 18 18 ARG CG C 13 27.739 0.3 . 1 . . . A 18 ARG CG . 19142 1 175 . 1 1 18 18 ARG CD C 13 43.387 0.3 . 1 . . . A 18 ARG CD . 19142 1 176 . 1 1 18 18 ARG N N 15 122.376 0.2 . 1 . . . A 18 ARG N . 19142 1 177 . 1 1 19 19 GLU H H 1 8.997 0.02 . 1 . . . A 19 GLU H . 19142 1 178 . 1 1 19 19 GLU HA H 1 4.611 0.02 . 1 . . . A 19 GLU HA . 19142 1 179 . 1 1 19 19 GLU HB2 H 1 1.904 0.02 . 2 . . . A 19 GLU HB2 . 19142 1 180 . 1 1 19 19 GLU HB3 H 1 1.716 0.02 . 2 . . . A 19 GLU HB3 . 19142 1 181 . 1 1 19 19 GLU HG2 H 1 2.243 0.02 . 2 . . . A 19 GLU HG2 . 19142 1 182 . 1 1 19 19 GLU HG3 H 1 2.186 0.02 . 2 . . . A 19 GLU HG3 . 19142 1 183 . 1 1 19 19 GLU CB C 13 31.571 0.3 . 1 . . . A 19 GLU CB . 19142 1 184 . 1 1 19 19 GLU CG C 13 33.912 0.3 . 1 . . . A 19 GLU CG . 19142 1 185 . 1 1 20 20 VAL H H 1 8.581 0.02 . 1 . . . A 20 VAL H . 19142 1 186 . 1 1 20 20 VAL HA H 1 4.682 0.02 . 1 . . . A 20 VAL HA . 19142 1 187 . 1 1 20 20 VAL HB H 1 1.937 0.02 . 1 . . . A 20 VAL HB . 19142 1 188 . 1 1 20 20 VAL HG11 H 1 0.897 0.02 . 2 . . . A 20 VAL HG11 . 19142 1 189 . 1 1 20 20 VAL HG12 H 1 0.897 0.02 . 2 . . . A 20 VAL HG12 . 19142 1 190 . 1 1 20 20 VAL HG13 H 1 0.897 0.02 . 2 . . . A 20 VAL HG13 . 19142 1 191 . 1 1 20 20 VAL HG21 H 1 0.859 0.02 . 2 . . . A 20 VAL HG21 . 19142 1 192 . 1 1 20 20 VAL HG22 H 1 0.859 0.02 . 2 . . . A 20 VAL HG22 . 19142 1 193 . 1 1 20 20 VAL HG23 H 1 0.859 0.02 . 2 . . . A 20 VAL HG23 . 19142 1 194 . 1 1 20 20 VAL CB C 13 33.366 0.3 . 1 . . . A 20 VAL CB . 19142 1 195 . 1 1 20 20 VAL CG1 C 13 20.949 0.3 . 1 . . . A 20 VAL CG1 . 19142 1 196 . 1 1 20 20 VAL CG2 C 13 21.717 0.3 . 1 . . . A 20 VAL CG2 . 19142 1 197 . 1 1 20 20 VAL N N 15 123.513 0.2 . 1 . . . A 20 VAL N . 19142 1 198 . 1 1 21 21 LYS H H 1 8.902 0.02 . 1 . . . A 21 LYS H . 19142 1 199 . 1 1 21 21 LYS HA H 1 4.722 0.02 . 1 . . . A 21 LYS HA . 19142 1 200 . 1 1 21 21 LYS HB2 H 1 1.859 0.02 . 2 . . . A 21 LYS HB2 . 19142 1 201 . 1 1 21 21 LYS HB3 H 1 1.811 0.02 . 2 . . . A 21 LYS HB3 . 19142 1 202 . 1 1 21 21 LYS HG2 H 1 1.369 0.02 . 1 . . . A 21 LYS HG2 . 19142 1 203 . 1 1 21 21 LYS HG3 H 1 1.369 0.02 . 1 . . . A 21 LYS HG3 . 19142 1 204 . 1 1 21 21 LYS HD2 H 1 1.575 0.02 . 2 . . . A 21 LYS HD2 . 19142 1 205 . 1 1 21 21 LYS HD3 H 1 1.513 0.02 . 2 . . . A 21 LYS HD3 . 19142 1 206 . 1 1 21 21 LYS HE2 H 1 2.784 0.02 . 1 . . . A 21 LYS HE2 . 19142 1 207 . 1 1 21 21 LYS HE3 H 1 2.784 0.02 . 1 . . . A 21 LYS HE3 . 19142 1 208 . 1 1 21 21 LYS CB C 13 34.934 0.3 . 1 . . . A 21 LYS CB . 19142 1 209 . 1 1 21 21 LYS CG C 13 24.796 0.3 . 1 . . . A 21 LYS CG . 19142 1 210 . 1 1 21 21 LYS CD C 13 29.078 0.3 . 1 . . . A 21 LYS CD . 19142 1 211 . 1 1 22 22 CYS H H 1 8.986 0.02 . 1 . . . A 22 CYS H . 19142 1 212 . 1 1 22 22 CYS HA H 1 5.391 0.02 . 1 . . . A 22 CYS HA . 19142 1 213 . 1 1 22 22 CYS HB2 H 1 3.035 0.02 . 2 . . . A 22 CYS HB2 . 19142 1 214 . 1 1 22 22 CYS HB3 H 1 2.839 0.02 . 2 . . . A 22 CYS HB3 . 19142 1 215 . 1 1 22 22 CYS CB C 13 39.670 0.3 . 1 . . . A 22 CYS CB . 19142 1 216 . 1 1 23 23 LYS H H 1 8.844 0.02 . 1 . . . A 23 LYS H . 19142 1 217 . 1 1 23 23 LYS HA H 1 4.575 0.02 . 1 . . . A 23 LYS HA . 19142 1 218 . 1 1 23 23 LYS HB2 H 1 1.841 0.02 . 2 . . . A 23 LYS HB2 . 19142 1 219 . 1 1 23 23 LYS HB3 H 1 1.786 0.02 . 2 . . . A 23 LYS HB3 . 19142 1 220 . 1 1 23 23 LYS HG2 H 1 1.447 0.02 . 2 . . . A 23 LYS HG2 . 19142 1 221 . 1 1 23 23 LYS HG3 H 1 1.376 0.02 . 2 . . . A 23 LYS HG3 . 19142 1 222 . 1 1 23 23 LYS HD2 H 1 1.658 0.02 . 1 . . . A 23 LYS HD2 . 19142 1 223 . 1 1 23 23 LYS HD3 H 1 1.658 0.02 . 1 . . . A 23 LYS HD3 . 19142 1 224 . 1 1 23 23 LYS HE2 H 1 2.944 0.02 . 1 . . . A 23 LYS HE2 . 19142 1 225 . 1 1 23 23 LYS HE3 H 1 2.944 0.02 . 1 . . . A 23 LYS HE3 . 19142 1 226 . 1 1 23 23 LYS CB C 13 34.782 0.3 . 1 . . . A 23 LYS CB . 19142 1 227 . 1 1 23 23 LYS CG C 13 24.386 0.3 . 1 . . . A 23 LYS CG . 19142 1 228 . 1 1 23 23 LYS CD C 13 29.377 0.3 . 1 . . . A 23 LYS CD . 19142 1 229 . 1 1 23 23 LYS CE C 13 42.120 0.3 . 1 . . . A 23 LYS CE . 19142 1 230 . 1 1 23 23 LYS N N 15 122.935 0.2 . 1 . . . A 23 LYS N . 19142 1 231 . 1 1 24 24 THR H H 1 8.518 0.02 . 1 . . . A 24 THR H . 19142 1 232 . 1 1 24 24 THR HA H 1 4.494 0.02 . 1 . . . A 24 THR HA . 19142 1 233 . 1 1 24 24 THR HB H 1 4.091 0.02 . 1 . . . A 24 THR HB . 19142 1 234 . 1 1 24 24 THR HG21 H 1 1.168 0.02 . 1 . . . A 24 THR HG21 . 19142 1 235 . 1 1 24 24 THR HG22 H 1 1.168 0.02 . 1 . . . A 24 THR HG22 . 19142 1 236 . 1 1 24 24 THR HG23 H 1 1.168 0.02 . 1 . . . A 24 THR HG23 . 19142 1 237 . 1 1 24 24 THR CA C 13 62.443 0.3 . 1 . . . A 24 THR CA . 19142 1 238 . 1 1 24 24 THR CB C 13 69.712 0.3 . 1 . . . A 24 THR CB . 19142 1 239 . 1 1 24 24 THR CG2 C 13 21.802 0.3 . 1 . . . A 24 THR CG2 . 19142 1 240 . 1 1 24 24 THR N N 15 117.783 0.2 . 1 . . . A 24 THR N . 19142 1 241 . 1 1 25 25 ILE H H 1 8.342 0.02 . 1 . . . A 25 ILE H . 19142 1 242 . 1 1 25 25 ILE HA H 1 4.236 0.02 . 1 . . . A 25 ILE HA . 19142 1 243 . 1 1 25 25 ILE HB H 1 1.828 0.02 . 1 . . . A 25 ILE HB . 19142 1 244 . 1 1 25 25 ILE HG12 H 1 1.447 0.02 . 2 . . . A 25 ILE HG12 . 19142 1 245 . 1 1 25 25 ILE HG13 H 1 1.134 0.02 . 2 . . . A 25 ILE HG13 . 19142 1 246 . 1 1 25 25 ILE HG21 H 1 0.920 0.02 . 1 . . . A 25 ILE HG21 . 19142 1 247 . 1 1 25 25 ILE HG22 H 1 0.920 0.02 . 1 . . . A 25 ILE HG22 . 19142 1 248 . 1 1 25 25 ILE HG23 H 1 0.920 0.02 . 1 . . . A 25 ILE HG23 . 19142 1 249 . 1 1 25 25 ILE HD11 H 1 0.838 0.02 . 1 . . . A 25 ILE HD11 . 19142 1 250 . 1 1 25 25 ILE HD12 H 1 0.838 0.02 . 1 . . . A 25 ILE HD12 . 19142 1 251 . 1 1 25 25 ILE HD13 H 1 0.838 0.02 . 1 . . . A 25 ILE HD13 . 19142 1 252 . 1 1 25 25 ILE CA C 13 60.566 0.3 . 1 . . . A 25 ILE CA . 19142 1 253 . 1 1 25 25 ILE CB C 13 38.911 0.3 . 1 . . . A 25 ILE CB . 19142 1 254 . 1 1 25 25 ILE CG1 C 13 27.145 0.3 . 1 . . . A 25 ILE CG1 . 19142 1 255 . 1 1 25 25 ILE CG2 C 13 17.502 0.3 . 1 . . . A 25 ILE CG2 . 19142 1 256 . 1 1 25 25 ILE CD1 C 13 12.968 0.3 . 1 . . . A 25 ILE CD1 . 19142 1 257 . 1 1 25 25 ILE N N 15 125.151 0.2 . 1 . . . A 25 ILE N . 19142 1 258 . 1 1 26 26 NH2 HN1 H 1 7.163 0.02 . 1 . . . A 26 NH2 HN1 . 19142 1 259 . 1 1 26 26 NH2 HN2 H 1 7.753 0.02 . 1 . . . A 26 NH2 HN2 . 19142 1 260 . 1 1 26 26 NH2 N N 15 111.962 0.2 . 1 . . . A 26 NH2 N . 19142 1 stop_ save_