################################### # 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 30217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-1H NOESY' . . . 30217 1 2 '2D 1H-1H TOCSY' . . . 30217 1 3 '2D 1H-13C HSQC' . . . 30217 1 4 '2D 1H-15N HMQC' . . . 30217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.130 . . . . . . . A 1 GLY HA2 . 30217 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.036 . . . . . . . A 1 GLY HA3 . 30217 1 3 . 1 . 1 1 1 GLY CA C 13 43.455 . . . . . . . A 1 GLY CA . 30217 1 4 . 1 . 1 2 2 VAL H H 1 8.741 . . . . . . . A 2 VAL H . 30217 1 5 . 1 . 1 2 2 VAL HA H 1 3.751 . . . . . . . A 2 VAL HA . 30217 1 6 . 1 . 1 2 2 VAL HB H 1 2.171 . . . . . . . A 2 VAL HB . 30217 1 7 . 1 . 1 2 2 VAL HG11 H 1 1.105 . . . . . . . A 2 VAL HG11 . 30217 1 8 . 1 . 1 2 2 VAL HG12 H 1 1.105 . . . . . . . A 2 VAL HG12 . 30217 1 9 . 1 . 1 2 2 VAL HG13 H 1 1.105 . . . . . . . A 2 VAL HG13 . 30217 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.999 . . . . . . . A 2 VAL HG21 . 30217 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.999 . . . . . . . A 2 VAL HG22 . 30217 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.999 . . . . . . . A 2 VAL HG23 . 30217 1 13 . 1 . 1 2 2 VAL CA C 13 66.078 . . . . . . . A 2 VAL CA . 30217 1 14 . 1 . 1 2 2 VAL CB C 13 31.817 . . . . . . . A 2 VAL CB . 30217 1 15 . 1 . 1 2 2 VAL CG1 C 13 23.385 . . . . . . . A 2 VAL CG1 . 30217 1 16 . 1 . 1 2 2 VAL CG2 C 13 21.362 . . . . . . . A 2 VAL CG2 . 30217 1 17 . 1 . 1 2 2 VAL N N 15 120.745 . . . . . . . A 2 VAL N . 30217 1 18 . 1 . 1 3 3 VAL H H 1 8.241 . . . . . . . A 3 VAL H . 30217 1 19 . 1 . 1 3 3 VAL HA H 1 3.590 . . . . . . . A 3 VAL HA . 30217 1 20 . 1 . 1 3 3 VAL HB H 1 2.128 . . . . . . . A 3 VAL HB . 30217 1 21 . 1 . 1 3 3 VAL HG11 H 1 1.087 . . . . . . . A 3 VAL HG11 . 30217 1 22 . 1 . 1 3 3 VAL HG12 H 1 1.087 . . . . . . . A 3 VAL HG12 . 30217 1 23 . 1 . 1 3 3 VAL HG13 H 1 1.087 . . . . . . . A 3 VAL HG13 . 30217 1 24 . 1 . 1 3 3 VAL HG21 H 1 0.985 . . . . . . . A 3 VAL HG21 . 30217 1 25 . 1 . 1 3 3 VAL HG22 H 1 0.985 . . . . . . . A 3 VAL HG22 . 30217 1 26 . 1 . 1 3 3 VAL HG23 H 1 0.985 . . . . . . . A 3 VAL HG23 . 30217 1 27 . 1 . 1 3 3 VAL CB C 13 30.823 . . . . . . . A 3 VAL CB . 30217 1 28 . 1 . 1 3 3 VAL CG1 C 13 23.180 . . . . . . . A 3 VAL CG1 . 30217 1 29 . 1 . 1 3 3 VAL CG2 C 13 21.478 . . . . . . . A 3 VAL CG2 . 30217 1 30 . 1 . 1 3 3 VAL N N 15 118.916 . . . . . . . A 3 VAL N . 30217 1 31 . 1 . 1 4 4 ASP H H 1 7.714 . . . . . . . A 4 ASP H . 30217 1 32 . 1 . 1 4 4 ASP HA H 1 4.389 . . . . . . . A 4 ASP HA . 30217 1 33 . 1 . 1 4 4 ASP HB2 H 1 2.916 . . . . . . . A 4 ASP HB2 . 30217 1 34 . 1 . 1 4 4 ASP CB C 13 38.624 . . . . . . . A 4 ASP CB . 30217 1 35 . 1 . 1 4 4 ASP N N 15 117.393 . . . . . . . A 4 ASP N . 30217 1 36 . 1 . 1 5 5 ILE H H 1 7.696 . . . . . . . A 5 ILE H . 30217 1 37 . 1 . 1 5 5 ILE HA H 1 3.900 . . . . . . . A 5 ILE HA . 30217 1 38 . 1 . 1 5 5 ILE HB H 1 2.069 . . . . . . . A 5 ILE HB . 30217 1 39 . 1 . 1 5 5 ILE HG12 H 1 1.707 . . . . . . . A 5 ILE HG12 . 30217 1 40 . 1 . 1 5 5 ILE HG13 H 1 1.291 . . . . . . . A 5 ILE HG13 . 30217 1 41 . 1 . 1 5 5 ILE HG21 H 1 0.943 . . . . . . . A 5 ILE HG21 . 30217 1 42 . 1 . 1 5 5 ILE HG22 H 1 0.943 . . . . . . . A 5 ILE HG22 . 30217 1 43 . 1 . 1 5 5 ILE HG23 H 1 0.943 . . . . . . . A 5 ILE HG23 . 30217 1 44 . 1 . 1 5 5 ILE HD11 H 1 0.878 . . . . . . . A 5 ILE HD11 . 30217 1 45 . 1 . 1 5 5 ILE HD12 H 1 0.878 . . . . . . . A 5 ILE HD12 . 30217 1 46 . 1 . 1 5 5 ILE HD13 H 1 0.878 . . . . . . . A 5 ILE HD13 . 30217 1 47 . 1 . 1 5 5 ILE CA C 13 63.962 . . . . . . . A 5 ILE CA . 30217 1 48 . 1 . 1 5 5 ILE CB C 13 37.651 . . . . . . . A 5 ILE CB . 30217 1 49 . 1 . 1 5 5 ILE CG1 C 13 28.564 . . . . . . . A 5 ILE CG1 . 30217 1 50 . 1 . 1 5 5 ILE CG2 C 13 17.434 . . . . . . . A 5 ILE CG2 . 30217 1 51 . 1 . 1 5 5 ILE CD1 C 13 12.858 . . . . . . . A 5 ILE CD1 . 30217 1 52 . 1 . 1 5 5 ILE N N 15 121.165 . . . . . . . A 5 ILE N . 30217 1 53 . 1 . 1 6 6 LEU H H 1 8.177 . . . . . . . A 6 LEU H . 30217 1 54 . 1 . 1 6 6 LEU HA H 1 4.046 . . . . . . . A 6 LEU HA . 30217 1 55 . 1 . 1 6 6 LEU HB2 H 1 1.956 . . . . . . . A 6 LEU HB2 . 30217 1 56 . 1 . 1 6 6 LEU HB3 H 1 1.517 . . . . . . . A 6 LEU HB3 . 30217 1 57 . 1 . 1 6 6 LEU HG H 1 1.912 . . . . . . . A 6 LEU HG . 30217 1 58 . 1 . 1 6 6 LEU HD11 H 1 0.879 . . . . . . . A 6 LEU HD11 . 30217 1 59 . 1 . 1 6 6 LEU HD12 H 1 0.879 . . . . . . . A 6 LEU HD12 . 30217 1 60 . 1 . 1 6 6 LEU HD13 H 1 0.879 . . . . . . . A 6 LEU HD13 . 30217 1 61 . 1 . 1 6 6 LEU HD21 H 1 0.838 . . . . . . . A 6 LEU HD21 . 30217 1 62 . 1 . 1 6 6 LEU HD22 H 1 0.838 . . . . . . . A 6 LEU HD22 . 30217 1 63 . 1 . 1 6 6 LEU HD23 H 1 0.838 . . . . . . . A 6 LEU HD23 . 30217 1 64 . 1 . 1 6 6 LEU CA C 13 57.880 . . . . . . . A 6 LEU CA . 30217 1 65 . 1 . 1 6 6 LEU CB C 13 41.565 . . . . . . . A 6 LEU CB . 30217 1 66 . 1 . 1 6 6 LEU CG C 13 26.552 . . . . . . . A 6 LEU CG . 30217 1 67 . 1 . 1 6 6 LEU CD1 C 13 25.594 . . . . . . . A 6 LEU CD1 . 30217 1 68 . 1 . 1 6 6 LEU CD2 C 13 22.849 . . . . . . . A 6 LEU CD2 . 30217 1 69 . 1 . 1 6 6 LEU N N 15 120.041 . . . . . . . A 6 LEU N . 30217 1 70 . 1 . 1 7 7 LYS H H 1 8.492 . . . . . . . A 7 LYS H . 30217 1 71 . 1 . 1 7 7 LYS HA H 1 3.873 . . . . . . . A 7 LYS HA . 30217 1 72 . 1 . 1 7 7 LYS HB2 H 1 1.926 . . . . . . . A 7 LYS HB2 . 30217 1 73 . 1 . 1 7 7 LYS HG2 H 1 1.320 . . . . . . . A 7 LYS HG2 . 30217 1 74 . 1 . 1 7 7 LYS HD2 H 1 1.744 . . . . . . . A 7 LYS HD2 . 30217 1 75 . 1 . 1 7 7 LYS HE2 H 1 2.940 . . . . . . . A 7 LYS HE2 . 30217 1 76 . 1 . 1 7 7 LYS HE3 H 1 2.905 . . . . . . . A 7 LYS HE3 . 30217 1 77 . 1 . 1 7 7 LYS CA C 13 60.616 . . . . . . . A 7 LYS CA . 30217 1 78 . 1 . 1 7 7 LYS CB C 13 32.372 . . . . . . . A 7 LYS CB . 30217 1 79 . 1 . 1 7 7 LYS CD C 13 29.527 . . . . . . . A 7 LYS CD . 30217 1 80 . 1 . 1 7 7 LYS CE C 13 41.900 . . . . . . . A 7 LYS CE . 30217 1 81 . 1 . 1 7 7 LYS N N 15 117.818 . . . . . . . A 7 LYS N . 30217 1 82 . 1 . 1 8 8 GLY H H 1 7.933 . . . . . . . A 8 GLY H . 30217 1 83 . 1 . 1 8 8 GLY HA2 H 1 3.944 . . . . . . . A 8 GLY HA2 . 30217 1 84 . 1 . 1 8 8 GLY HA3 H 1 3.836 . . . . . . . A 8 GLY HA3 . 30217 1 85 . 1 . 1 8 8 GLY N N 15 105.894 . . . . . . . A 8 GLY N . 30217 1 86 . 1 . 1 9 9 ALA H H 1 8.397 . . . . . . . A 9 ALA H . 30217 1 87 . 1 . 1 9 9 ALA HA H 1 4.223 . . . . . . . A 9 ALA HA . 30217 1 88 . 1 . 1 9 9 ALA HB1 H 1 1.523 . . . . . . . A 9 ALA HB1 . 30217 1 89 . 1 . 1 9 9 ALA HB2 H 1 1.523 . . . . . . . A 9 ALA HB2 . 30217 1 90 . 1 . 1 9 9 ALA HB3 H 1 1.523 . . . . . . . A 9 ALA HB3 . 30217 1 91 . 1 . 1 9 9 ALA CA C 13 54.668 . . . . . . . A 9 ALA CA . 30217 1 92 . 1 . 1 9 9 ALA CB C 13 18.413 . . . . . . . A 9 ALA CB . 30217 1 93 . 1 . 1 10 10 ALA H H 1 8.464 . . . . . . . A 10 ALA H . 30217 1 94 . 1 . 1 10 10 ALA HA H 1 3.954 . . . . . . . A 10 ALA HA . 30217 1 95 . 1 . 1 10 10 ALA HB1 H 1 1.528 . . . . . . . A 10 ALA HB1 . 30217 1 96 . 1 . 1 10 10 ALA HB2 H 1 1.528 . . . . . . . A 10 ALA HB2 . 30217 1 97 . 1 . 1 10 10 ALA HB3 H 1 1.528 . . . . . . . A 10 ALA HB3 . 30217 1 98 . 1 . 1 10 10 ALA CA C 13 55.364 . . . . . . . A 10 ALA CA . 30217 1 99 . 1 . 1 10 10 ALA CB C 13 18.130 . . . . . . . A 10 ALA CB . 30217 1 100 . 1 . 1 10 10 ALA N N 15 119.916 . . . . . . . A 10 ALA N . 30217 1 101 . 1 . 1 11 11 LYS H H 1 8.089 . . . . . . . A 11 LYS H . 30217 1 102 . 1 . 1 11 11 LYS HA H 1 3.938 . . . . . . . A 11 LYS HA . 30217 1 103 . 1 . 1 11 11 LYS HB2 H 1 1.971 . . . . . . . A 11 LYS HB2 . 30217 1 104 . 1 . 1 11 11 LYS HB3 H 1 1.755 . . . . . . . A 11 LYS HB3 . 30217 1 105 . 1 . 1 11 11 LYS HG2 H 1 1.645 . . . . . . . A 11 LYS HG2 . 30217 1 106 . 1 . 1 11 11 LYS HG3 H 1 1.467 . . . . . . . A 11 LYS HG3 . 30217 1 107 . 1 . 1 11 11 LYS HD2 H 1 1.531 . . . . . . . A 11 LYS HD2 . 30217 1 108 . 1 . 1 11 11 LYS HD3 H 1 1.764 . . . . . . . A 11 LYS HD3 . 30217 1 109 . 1 . 1 11 11 LYS HE2 H 1 2.994 . . . . . . . A 11 LYS HE2 . 30217 1 110 . 1 . 1 11 11 LYS CA C 13 59.676 . . . . . . . A 11 LYS CA . 30217 1 111 . 1 . 1 11 11 LYS CB C 13 31.893 . . . . . . . A 11 LYS CB . 30217 1 112 . 1 . 1 11 11 LYS CG C 13 25.332 . . . . . . . A 11 LYS CG . 30217 1 113 . 1 . 1 11 11 LYS CD C 13 29.096 . . . . . . . A 11 LYS CD . 30217 1 114 . 1 . 1 11 11 LYS CE C 13 42.023 . . . . . . . A 11 LYS CE . 30217 1 115 . 1 . 1 11 11 LYS N N 15 116.536 . . . . . . . A 11 LYS N . 30217 1 116 . 1 . 1 12 12 ASP H H 1 8.067 . . . . . . . A 12 ASP H . 30217 1 117 . 1 . 1 12 12 ASP HA H 1 4.531 . . . . . . . A 12 ASP HA . 30217 1 118 . 1 . 1 12 12 ASP HB2 H 1 3.175 . . . . . . . A 12 ASP HB2 . 30217 1 119 . 1 . 1 12 12 ASP HB3 H 1 2.988 . . . . . . . A 12 ASP HB3 . 30217 1 120 . 1 . 1 12 12 ASP CB C 13 37.336 . . . . . . . A 12 ASP CB . 30217 1 121 . 1 . 1 12 12 ASP N N 15 119.199 . . . . . . . A 12 ASP N . 30217 1 122 . 1 . 1 13 13 ILE H H 1 8.557 . . . . . . . A 13 ILE H . 30217 1 123 . 1 . 1 13 13 ILE HA H 1 3.714 . . . . . . . A 13 ILE HA . 30217 1 124 . 1 . 1 13 13 ILE HB H 1 1.991 . . . . . . . A 13 ILE HB . 30217 1 125 . 1 . 1 13 13 ILE HG12 H 1 1.118 . . . . . . . A 13 ILE HG12 . 30217 1 126 . 1 . 1 13 13 ILE HG21 H 1 0.939 . . . . . . . A 13 ILE HG21 . 30217 1 127 . 1 . 1 13 13 ILE HG22 H 1 0.939 . . . . . . . A 13 ILE HG22 . 30217 1 128 . 1 . 1 13 13 ILE HG23 H 1 0.939 . . . . . . . A 13 ILE HG23 . 30217 1 129 . 1 . 1 13 13 ILE HD11 H 1 0.842 . . . . . . . A 13 ILE HD11 . 30217 1 130 . 1 . 1 13 13 ILE HD12 H 1 0.842 . . . . . . . A 13 ILE HD12 . 30217 1 131 . 1 . 1 13 13 ILE HD13 H 1 0.842 . . . . . . . A 13 ILE HD13 . 30217 1 132 . 1 . 1 13 13 ILE CA C 13 65.147 . . . . . . . A 13 ILE CA . 30217 1 133 . 1 . 1 13 13 ILE CB C 13 38.049 . . . . . . . A 13 ILE CB . 30217 1 134 . 1 . 1 13 13 ILE CG1 C 13 22.230 . . . . . . . A 13 ILE CG1 . 30217 1 135 . 1 . 1 13 13 ILE CD1 C 13 13.412 . . . . . . . A 13 ILE CD1 . 30217 1 136 . 1 . 1 13 13 ILE N N 15 121.281 . . . . . . . A 13 ILE N . 30217 1 137 . 1 . 1 14 14 ALA H H 1 8.609 . . . . . . . A 14 ALA H . 30217 1 138 . 1 . 1 14 14 ALA HA H 1 4.001 . . . . . . . A 14 ALA HA . 30217 1 139 . 1 . 1 14 14 ALA HB1 H 1 1.543 . . . . . . . A 14 ALA HB1 . 30217 1 140 . 1 . 1 14 14 ALA HB2 H 1 1.543 . . . . . . . A 14 ALA HB2 . 30217 1 141 . 1 . 1 14 14 ALA HB3 H 1 1.543 . . . . . . . A 14 ALA HB3 . 30217 1 142 . 1 . 1 14 14 ALA CA C 13 55.594 . . . . . . . A 14 ALA CA . 30217 1 143 . 1 . 1 14 14 ALA CB C 13 18.359 . . . . . . . A 14 ALA CB . 30217 1 144 . 1 . 1 14 14 ALA N N 15 122.382 . . . . . . . A 14 ALA N . 30217 1 145 . 1 . 1 15 15 GLY H H 1 8.320 . . . . . . . A 15 GLY H . 30217 1 146 . 1 . 1 15 15 GLY HA2 H 1 4.043 . . . . . . . A 15 GLY HA2 . 30217 1 147 . 1 . 1 15 15 GLY HA3 H 1 3.884 . . . . . . . A 15 GLY HA3 . 30217 1 148 . 1 . 1 16 16 HIS H H 1 7.961 . . . . . . . A 16 HIS H . 30217 1 149 . 1 . 1 16 16 HIS HA H 1 4.510 . . . . . . . A 16 HIS HA . 30217 1 150 . 1 . 1 16 16 HIS HB2 H 1 3.380 . . . . . . . A 16 HIS HB2 . 30217 1 151 . 1 . 1 16 16 HIS HD2 H 1 7.350 . . . . . . . A 16 HIS HD2 . 30217 1 152 . 1 . 1 16 16 HIS CA C 13 58.333 . . . . . . . A 16 HIS CA . 30217 1 153 . 1 . 1 16 16 HIS CB C 13 28.170 . . . . . . . A 16 HIS CB . 30217 1 154 . 1 . 1 16 16 HIS N N 15 119.338 . . . . . . . A 16 HIS N . 30217 1 155 . 1 . 1 17 17 LEU H H 1 8.395 . . . . . . . A 17 LEU H . 30217 1 156 . 1 . 1 17 17 LEU HA H 1 4.154 . . . . . . . A 17 LEU HA . 30217 1 157 . 1 . 1 17 17 LEU HB2 H 1 1.891 . . . . . . . A 17 LEU HB2 . 30217 1 158 . 1 . 1 17 17 LEU HB3 H 1 1.601 . . . . . . . A 17 LEU HB3 . 30217 1 159 . 1 . 1 17 17 LEU HG H 1 1.862 . . . . . . . A 17 LEU HG . 30217 1 160 . 1 . 1 17 17 LEU HD11 H 1 0.910 . . . . . . . A 17 LEU HD11 . 30217 1 161 . 1 . 1 17 17 LEU HD12 H 1 0.910 . . . . . . . A 17 LEU HD12 . 30217 1 162 . 1 . 1 17 17 LEU HD13 H 1 0.910 . . . . . . . A 17 LEU HD13 . 30217 1 163 . 1 . 1 17 17 LEU CA C 13 57.350 . . . . . . . A 17 LEU CA . 30217 1 164 . 1 . 1 17 17 LEU CB C 13 41.882 . . . . . . . A 17 LEU CB . 30217 1 165 . 1 . 1 17 17 LEU CG C 13 26.862 . . . . . . . A 17 LEU CG . 30217 1 166 . 1 . 1 17 17 LEU CD1 C 13 23.526 . . . . . . . A 17 LEU CD1 . 30217 1 167 . 1 . 1 17 17 LEU N N 15 120.458 . . . . . . . A 17 LEU N . 30217 1 168 . 1 . 1 18 18 ALA H H 1 8.541 . . . . . . . A 18 ALA H . 30217 1 169 . 1 . 1 18 18 ALA HA H 1 4.001 . . . . . . . A 18 ALA HA . 30217 1 170 . 1 . 1 18 18 ALA HB1 H 1 1.523 . . . . . . . A 18 ALA HB1 . 30217 1 171 . 1 . 1 18 18 ALA HB2 H 1 1.523 . . . . . . . A 18 ALA HB2 . 30217 1 172 . 1 . 1 18 18 ALA HB3 H 1 1.523 . . . . . . . A 18 ALA HB3 . 30217 1 173 . 1 . 1 18 18 ALA CA C 13 55.255 . . . . . . . A 18 ALA CA . 30217 1 174 . 1 . 1 18 18 ALA CB C 13 17.909 . . . . . . . A 18 ALA CB . 30217 1 175 . 1 . 1 18 18 ALA N N 15 120.692 . . . . . . . A 18 ALA N . 30217 1 176 . 1 . 1 19 19 SER H H 1 7.797 . . . . . . . A 19 SER H . 30217 1 177 . 1 . 1 19 19 SER HA H 1 4.218 . . . . . . . A 19 SER HA . 30217 1 178 . 1 . 1 19 19 SER HB2 H 1 4.009 . . . . . . . A 19 SER HB2 . 30217 1 179 . 1 . 1 19 19 SER HB3 H 1 3.947 . . . . . . . A 19 SER HB3 . 30217 1 180 . 1 . 1 19 19 SER CA C 13 60.723 . . . . . . . A 19 SER CA . 30217 1 181 . 1 . 1 19 19 SER CB C 13 62.905 . . . . . . . A 19 SER CB . 30217 1 182 . 1 . 1 19 19 SER N N 15 111.031 . . . . . . . A 19 SER N . 30217 1 183 . 1 . 1 20 20 LYS H H 1 7.689 . . . . . . . A 20 LYS H . 30217 1 184 . 1 . 1 20 20 LYS HA H 1 4.207 . . . . . . . A 20 LYS HA . 30217 1 185 . 1 . 1 20 20 LYS HB2 H 1 1.983 . . . . . . . A 20 LYS HB2 . 30217 1 186 . 1 . 1 20 20 LYS HB3 H 1 1.859 . . . . . . . A 20 LYS HB3 . 30217 1 187 . 1 . 1 20 20 LYS HG2 H 1 1.519 . . . . . . . A 20 LYS HG2 . 30217 1 188 . 1 . 1 20 20 LYS HG3 H 1 1.462 . . . . . . . A 20 LYS HG3 . 30217 1 189 . 1 . 1 20 20 LYS HD2 H 1 1.752 . . . . . . . A 20 LYS HD2 . 30217 1 190 . 1 . 1 20 20 LYS HE2 H 1 2.991 . . . . . . . A 20 LYS HE2 . 30217 1 191 . 1 . 1 20 20 LYS CB C 13 32.522 . . . . . . . A 20 LYS CB . 30217 1 192 . 1 . 1 20 20 LYS CG C 13 24.529 . . . . . . . A 20 LYS CG . 30217 1 193 . 1 . 1 20 20 LYS CE C 13 41.967 . . . . . . . A 20 LYS CE . 30217 1 194 . 1 . 1 21 21 VAL H H 1 7.810 . . . . . . . A 21 VAL H . 30217 1 195 . 1 . 1 21 21 VAL HA H 1 4.015 . . . . . . . A 21 VAL HA . 30217 1 196 . 1 . 1 21 21 VAL HB H 1 2.150 . . . . . . . A 21 VAL HB . 30217 1 197 . 1 . 1 21 21 VAL HG11 H 1 1.024 . . . . . . . A 21 VAL HG11 . 30217 1 198 . 1 . 1 21 21 VAL HG12 H 1 1.024 . . . . . . . A 21 VAL HG12 . 30217 1 199 . 1 . 1 21 21 VAL HG13 H 1 1.024 . . . . . . . A 21 VAL HG13 . 30217 1 200 . 1 . 1 21 21 VAL HG21 H 1 0.978 . . . . . . . A 21 VAL HG21 . 30217 1 201 . 1 . 1 21 21 VAL HG22 H 1 0.978 . . . . . . . A 21 VAL HG22 . 30217 1 202 . 1 . 1 21 21 VAL HG23 H 1 0.978 . . . . . . . A 21 VAL HG23 . 30217 1 203 . 1 . 1 21 21 VAL CA C 13 63.811 . . . . . . . A 21 VAL CA . 30217 1 204 . 1 . 1 21 21 VAL CB C 13 32.430 . . . . . . . A 21 VAL CB . 30217 1 205 . 1 . 1 21 21 VAL CG1 C 13 21.286 . . . . . . . A 21 VAL CG1 . 30217 1 206 . 1 . 1 21 21 VAL CG2 C 13 21.625 . . . . . . . A 21 VAL CG2 . 30217 1 207 . 1 . 1 21 21 VAL N N 15 115.880 . . . . . . . A 21 VAL N . 30217 1 208 . 1 . 1 22 22 MET H H 1 8.002 . . . . . . . A 22 MET H . 30217 1 209 . 1 . 1 22 22 MET HA H 1 4.415 . . . . . . . A 22 MET HA . 30217 1 210 . 1 . 1 22 22 MET HB2 H 1 2.669 . . . . . . . A 22 MET HB2 . 30217 1 211 . 1 . 1 22 22 MET HB3 H 1 2.561 . . . . . . . A 22 MET HB3 . 30217 1 212 . 1 . 1 22 22 MET HG2 H 1 2.157 . . . . . . . A 22 MET HG2 . 30217 1 213 . 1 . 1 22 22 MET HG3 H 1 2.050 . . . . . . . A 22 MET HG3 . 30217 1 214 . 1 . 1 22 22 MET CA C 13 55.671 . . . . . . . A 22 MET CA . 30217 1 215 . 1 . 1 22 22 MET CB C 13 32.363 . . . . . . . A 22 MET CB . 30217 1 216 . 1 . 1 22 22 MET CG C 13 32.739 . . . . . . . A 22 MET CG . 30217 1 217 . 1 . 1 22 22 MET N N 15 118.554 . . . . . . . A 22 MET N . 30217 1 stop_ save_