################################### # 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 18771 _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-15N HMQC' . . . 18771 1 2 '3D 1H-13C NOESY aliphatic' . . . 18771 1 3 '3D 1H-13C NOESY aromatic' . . . 18771 1 4 '3D 1H-13C NOESY aliphatic' . . . 18771 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 FME CE C 13 18.00 0.30 . 1 . . . B 1 FME CE . 18771 1 2 . 1 1 1 1 FME HCN H 1 8.71 0.02 . 1 . . . B 1 FME HCN . 18771 1 3 . 1 1 1 1 FME HE1 H 1 2.05 0.02 . 1 . . . B 1 FME HE1 . 18771 1 4 . 1 1 1 1 FME N N 15 128.61 0.30 . 1 . . . B 1 FME N . 18771 1 5 . 1 1 2 2 GLY H H 1 8.79 0.02 . 1 . . . B 2 GLY H . 18771 1 6 . 1 1 2 2 GLY N N 15 109.92 0.30 . 1 . . . B 2 GLY N . 18771 1 7 . 1 1 3 3 GLY H H 1 8.45 0.02 . 1 . . . B 3 GLY H . 18771 1 8 . 1 1 3 3 GLY N N 15 108.47 0.30 . 1 . . . B 3 GLY N . 18771 1 9 . 1 1 4 4 ILE H H 1 7.70 0.02 . 1 . . . B 4 ILE H . 18771 1 10 . 1 1 4 4 ILE HD11 H 1 0.82 0.02 . 1 . . . B 4 ILE HD11 . 18771 1 11 . 1 1 4 4 ILE HD12 H 1 0.82 0.02 . 1 . . . B 4 ILE HD12 . 18771 1 12 . 1 1 4 4 ILE HD13 H 1 0.82 0.02 . 1 . . . B 4 ILE HD13 . 18771 1 13 . 1 1 4 4 ILE CD1 C 13 14.15 0.30 . 1 . . . B 4 ILE CD1 . 18771 1 14 . 1 1 4 4 ILE N N 15 120.97 0.30 . 1 . . . B 4 ILE N . 18771 1 15 . 1 1 6 6 ILE H H 1 9.19 0.02 . 1 . . . B 6 ILE H . 18771 1 16 . 1 1 6 6 ILE HD11 H 1 0.81 0.02 . 1 . . . B 6 ILE HD11 . 18771 1 17 . 1 1 6 6 ILE HD12 H 1 0.81 0.02 . 1 . . . B 6 ILE HD12 . 18771 1 18 . 1 1 6 6 ILE HD13 H 1 0.81 0.02 . 1 . . . B 6 ILE HD13 . 18771 1 19 . 1 1 6 6 ILE CD1 C 13 13.83 0.30 . 1 . . . B 6 ILE CD1 . 18771 1 20 . 1 1 6 6 ILE N N 15 123.69 0.30 . 1 . . . B 6 ILE N . 18771 1 21 . 1 1 7 7 TRP H H 1 7.61 0.02 . 1 . . . B 7 TRP H . 18771 1 22 . 1 1 7 7 TRP N N 15 119.99 0.30 . 1 . . . B 7 TRP N . 18771 1 23 . 1 1 8 8 GLN H H 1 7.33 0.02 . 1 . . . B 8 GLN H . 18771 1 24 . 1 1 8 8 GLN N N 15 118.15 0.30 . 1 . . . B 8 GLN N . 18771 1 25 . 1 1 9 9 LEU H H 1 7.75 0.02 . 1 . . . B 9 LEU H . 18771 1 26 . 1 1 9 9 LEU HD11 H 1 0.88 0.02 . 1 . . . B 9 LEU HD11 . 18771 1 27 . 1 1 9 9 LEU HD12 H 1 0.88 0.02 . 1 . . . B 9 LEU HD12 . 18771 1 28 . 1 1 9 9 LEU HD13 H 1 0.88 0.02 . 1 . . . B 9 LEU HD13 . 18771 1 29 . 1 1 9 9 LEU HD21 H 1 0.85 0.02 . 1 . . . B 9 LEU HD21 . 18771 1 30 . 1 1 9 9 LEU HD22 H 1 0.85 0.02 . 1 . . . B 9 LEU HD22 . 18771 1 31 . 1 1 9 9 LEU HD23 H 1 0.85 0.02 . 1 . . . B 9 LEU HD23 . 18771 1 32 . 1 1 9 9 LEU CD1 C 13 25.95 0.30 . 1 . . . B 9 LEU CD1 . 18771 1 33 . 1 1 9 9 LEU CD2 C 13 25.01 0.30 . 1 . . . B 9 LEU CD2 . 18771 1 34 . 1 1 9 9 LEU N N 15 119.24 0.30 . 1 . . . B 9 LEU N . 18771 1 35 . 1 1 10 10 LEU H H 1 8.32 0.02 . 1 . . . B 10 LEU H . 18771 1 36 . 1 1 10 10 LEU HD11 H 1 0.85 0.02 . 1 . . . B 10 LEU HD11 . 18771 1 37 . 1 1 10 10 LEU HD12 H 1 0.85 0.02 . 1 . . . B 10 LEU HD12 . 18771 1 38 . 1 1 10 10 LEU HD13 H 1 0.85 0.02 . 1 . . . B 10 LEU HD13 . 18771 1 39 . 1 1 10 10 LEU HD21 H 1 0.87 0.02 . 1 . . . B 10 LEU HD21 . 18771 1 40 . 1 1 10 10 LEU HD22 H 1 0.87 0.02 . 1 . . . B 10 LEU HD22 . 18771 1 41 . 1 1 10 10 LEU HD23 H 1 0.87 0.02 . 1 . . . B 10 LEU HD23 . 18771 1 42 . 1 1 10 10 LEU CD1 C 13 25.96 0.30 . 1 . . . B 10 LEU CD1 . 18771 1 43 . 1 1 10 10 LEU CD2 C 13 24.85 0.30 . 1 . . . B 10 LEU CD2 . 18771 1 44 . 1 1 10 10 LEU N N 15 118.94 0.30 . 1 . . . B 10 LEU N . 18771 1 45 . 1 1 11 11 ILE H H 1 7.83 0.02 . 1 . . . B 11 ILE H . 18771 1 46 . 1 1 11 11 ILE HD11 H 1 0.90 0.02 . 1 . . . B 11 ILE HD11 . 18771 1 47 . 1 1 11 11 ILE HD12 H 1 0.90 0.02 . 1 . . . B 11 ILE HD12 . 18771 1 48 . 1 1 11 11 ILE HD13 H 1 0.90 0.02 . 1 . . . B 11 ILE HD13 . 18771 1 49 . 1 1 11 11 ILE CD1 C 13 13.81 0.30 . 1 . . . B 11 ILE CD1 . 18771 1 50 . 1 1 11 11 ILE N N 15 118.39 0.30 . 1 . . . B 11 ILE N . 18771 1 51 . 1 1 12 12 ILE H H 1 7.98 0.02 . 1 . . . B 12 ILE H . 18771 1 52 . 1 1 12 12 ILE HD11 H 1 0.82 0.02 . 1 . . . B 12 ILE HD11 . 18771 1 53 . 1 1 12 12 ILE HD12 H 1 0.82 0.02 . 1 . . . B 12 ILE HD12 . 18771 1 54 . 1 1 12 12 ILE HD13 H 1 0.82 0.02 . 1 . . . B 12 ILE HD13 . 18771 1 55 . 1 1 12 12 ILE CD1 C 13 13.94 0.30 . 1 . . . B 12 ILE CD1 . 18771 1 56 . 1 1 12 12 ILE N N 15 119.70 0.30 . 1 . . . B 12 ILE N . 18771 1 57 . 1 1 13 13 ALA H H 1 8.54 0.02 . 1 . . . B 13 ALA H . 18771 1 58 . 1 1 13 13 ALA HB1 H 1 1.48 0.02 . 1 . . . B 13 ALA HB1 . 18771 1 59 . 1 1 13 13 ALA HB2 H 1 1.48 0.02 . 1 . . . B 13 ALA HB2 . 18771 1 60 . 1 1 13 13 ALA HB3 H 1 1.48 0.02 . 1 . . . B 13 ALA HB3 . 18771 1 61 . 1 1 13 13 ALA CB C 13 18.84 0.30 . 1 . . . B 13 ALA CB . 18771 1 62 . 1 1 13 13 ALA N N 15 121.71 0.30 . 1 . . . B 13 ALA N . 18771 1 63 . 1 1 14 14 VAL H H 1 8.24 0.02 . 1 . . . B 14 VAL H . 18771 1 64 . 1 1 14 14 VAL HG11 H 1 0.93 0.02 . 1 . . . B 14 VAL HG11 . 18771 1 65 . 1 1 14 14 VAL HG12 H 1 0.93 0.02 . 1 . . . B 14 VAL HG12 . 18771 1 66 . 1 1 14 14 VAL HG13 H 1 0.93 0.02 . 1 . . . B 14 VAL HG13 . 18771 1 67 . 1 1 14 14 VAL HG21 H 1 1.10 0.02 . 1 . . . B 14 VAL HG21 . 18771 1 68 . 1 1 14 14 VAL HG22 H 1 1.10 0.02 . 1 . . . B 14 VAL HG22 . 18771 1 69 . 1 1 14 14 VAL HG23 H 1 1.10 0.02 . 1 . . . B 14 VAL HG23 . 18771 1 70 . 1 1 14 14 VAL CG1 C 13 22.49 0.30 . 1 . . . B 14 VAL CG1 . 18771 1 71 . 1 1 14 14 VAL CG2 C 13 24.30 0.30 . 1 . . . B 14 VAL CG2 . 18771 1 72 . 1 1 14 14 VAL N N 15 116.96 0.30 . 1 . . . B 14 VAL N . 18771 1 73 . 1 1 15 15 ILE H H 1 8.13 0.02 . 1 . . . B 15 ILE H . 18771 1 74 . 1 1 15 15 ILE HD11 H 1 0.81 0.02 . 1 . . . B 15 ILE HD11 . 18771 1 75 . 1 1 15 15 ILE HD12 H 1 0.81 0.02 . 1 . . . B 15 ILE HD12 . 18771 1 76 . 1 1 15 15 ILE HD13 H 1 0.81 0.02 . 1 . . . B 15 ILE HD13 . 18771 1 77 . 1 1 15 15 ILE CD1 C 13 14.10 0.30 . 1 . . . B 15 ILE CD1 . 18771 1 78 . 1 1 15 15 ILE N N 15 120.12 0.30 . 1 . . . B 15 ILE N . 18771 1 79 . 1 1 16 16 VAL H H 1 8.61 0.02 . 1 . . . B 16 VAL H . 18771 1 80 . 1 1 16 16 VAL HG11 H 1 1.02 0.02 . 1 . . . B 16 VAL HG11 . 18771 1 81 . 1 1 16 16 VAL HG12 H 1 1.02 0.02 . 1 . . . B 16 VAL HG12 . 18771 1 82 . 1 1 16 16 VAL HG13 H 1 1.02 0.02 . 1 . . . B 16 VAL HG13 . 18771 1 83 . 1 1 16 16 VAL HG21 H 1 1.12 0.02 . 1 . . . B 16 VAL HG21 . 18771 1 84 . 1 1 16 16 VAL HG22 H 1 1.12 0.02 . 1 . . . B 16 VAL HG22 . 18771 1 85 . 1 1 16 16 VAL HG23 H 1 1.12 0.02 . 1 . . . B 16 VAL HG23 . 18771 1 86 . 1 1 16 16 VAL CG1 C 13 22.94 0.30 . 1 . . . B 16 VAL CG1 . 18771 1 87 . 1 1 16 16 VAL CG2 C 13 24.33 0.30 . 1 . . . B 16 VAL CG2 . 18771 1 88 . 1 1 16 16 VAL N N 15 119.04 0.30 . 1 . . . B 16 VAL N . 18771 1 89 . 1 1 17 17 VAL H H 1 8.41 0.02 . 1 . . . B 17 VAL H . 18771 1 90 . 1 1 17 17 VAL HG11 H 1 0.96 0.02 . 1 . . . B 17 VAL HG11 . 18771 1 91 . 1 1 17 17 VAL HG12 H 1 0.96 0.02 . 1 . . . B 17 VAL HG12 . 18771 1 92 . 1 1 17 17 VAL HG13 H 1 0.96 0.02 . 1 . . . B 17 VAL HG13 . 18771 1 93 . 1 1 17 17 VAL HG21 H 1 1.07 0.02 . 1 . . . B 17 VAL HG21 . 18771 1 94 . 1 1 17 17 VAL HG22 H 1 1.07 0.02 . 1 . . . B 17 VAL HG22 . 18771 1 95 . 1 1 17 17 VAL HG23 H 1 1.07 0.02 . 1 . . . B 17 VAL HG23 . 18771 1 96 . 1 1 17 17 VAL CG1 C 13 22.93 0.30 . 1 . . . B 17 VAL CG1 . 18771 1 97 . 1 1 17 17 VAL CG2 C 13 24.48 0.30 . 1 . . . B 17 VAL CG2 . 18771 1 98 . 1 1 17 17 VAL N N 15 120.54 0.30 . 1 . . . B 17 VAL N . 18771 1 99 . 1 1 18 18 LEU H H 1 8.43 0.02 . 1 . . . B 18 LEU H . 18771 1 100 . 1 1 18 18 LEU HD11 H 1 0.84 0.02 . 1 . . . B 18 LEU HD11 . 18771 1 101 . 1 1 18 18 LEU HD12 H 1 0.84 0.02 . 1 . . . B 18 LEU HD12 . 18771 1 102 . 1 1 18 18 LEU HD13 H 1 0.84 0.02 . 1 . . . B 18 LEU HD13 . 18771 1 103 . 1 1 18 18 LEU HD21 H 1 0.87 0.02 . 1 . . . B 18 LEU HD21 . 18771 1 104 . 1 1 18 18 LEU HD22 H 1 0.87 0.02 . 1 . . . B 18 LEU HD22 . 18771 1 105 . 1 1 18 18 LEU HD23 H 1 0.87 0.02 . 1 . . . B 18 LEU HD23 . 18771 1 106 . 1 1 18 18 LEU CD1 C 13 26.83 0.30 . 1 . . . B 18 LEU CD1 . 18771 1 107 . 1 1 18 18 LEU CD2 C 13 24.30 0.30 . 1 . . . B 18 LEU CD2 . 18771 1 108 . 1 1 18 18 LEU N N 15 120.40 0.30 . 1 . . . B 18 LEU N . 18771 1 109 . 1 1 19 19 LEU H H 1 8.16 0.02 . 1 . . . B 19 LEU H . 18771 1 110 . 1 1 19 19 LEU HD11 H 1 0.74 0.02 . 1 . . . B 19 LEU HD11 . 18771 1 111 . 1 1 19 19 LEU HD12 H 1 0.74 0.02 . 1 . . . B 19 LEU HD12 . 18771 1 112 . 1 1 19 19 LEU HD13 H 1 0.74 0.02 . 1 . . . B 19 LEU HD13 . 18771 1 113 . 1 1 19 19 LEU HD21 H 1 0.69 0.02 . 1 . . . B 19 LEU HD21 . 18771 1 114 . 1 1 19 19 LEU HD22 H 1 0.69 0.02 . 1 . . . B 19 LEU HD22 . 18771 1 115 . 1 1 19 19 LEU HD23 H 1 0.69 0.02 . 1 . . . B 19 LEU HD23 . 18771 1 116 . 1 1 19 19 LEU CD1 C 13 26.46 0.30 . 1 . . . B 19 LEU CD1 . 18771 1 117 . 1 1 19 19 LEU CD2 C 13 24.31 0.30 . 1 . . . B 19 LEU CD2 . 18771 1 118 . 1 1 19 19 LEU N N 15 116.64 0.30 . 1 . . . B 19 LEU N . 18771 1 119 . 1 1 20 20 PHE H H 1 8.41 0.02 . 1 . . . B 20 PHE H . 18771 1 120 . 1 1 20 20 PHE N N 15 114.86 0.30 . 1 . . . B 20 PHE N . 18771 1 121 . 1 1 21 21 GLY H H 1 8.49 0.02 . 1 . . . B 21 GLY H . 18771 1 122 . 1 1 21 21 GLY N N 15 110.12 0.30 . 1 . . . B 21 GLY N . 18771 1 123 . 1 1 22 22 THR HG21 H 1 1.30 0.02 . 1 . . . B 22 THR HG21 . 18771 1 124 . 1 1 22 22 THR HG22 H 1 1.30 0.02 . 1 . . . B 22 THR HG22 . 18771 1 125 . 1 1 22 22 THR HG23 H 1 1.30 0.02 . 1 . . . B 22 THR HG23 . 18771 1 126 . 1 1 22 22 THR CG2 C 13 23.60 0.30 . 1 . . . B 22 THR CG2 . 18771 1 127 . 1 1 24 24 LYS H H 1 8.17 0.02 . 1 . . . B 24 LYS H . 18771 1 128 . 1 1 24 24 LYS N N 15 120.64 0.30 . 1 . . . B 24 LYS N . 18771 1 129 . 1 1 25 25 LEU H H 1 7.91 0.02 . 1 . . . B 25 LEU H . 18771 1 130 . 1 1 25 25 LEU HD11 H 1 0.92 0.02 . 1 . . . B 25 LEU HD11 . 18771 1 131 . 1 1 25 25 LEU HD12 H 1 0.92 0.02 . 1 . . . B 25 LEU HD12 . 18771 1 132 . 1 1 25 25 LEU HD13 H 1 0.92 0.02 . 1 . . . B 25 LEU HD13 . 18771 1 133 . 1 1 25 25 LEU HD21 H 1 0.82 0.02 . 1 . . . B 25 LEU HD21 . 18771 1 134 . 1 1 25 25 LEU HD22 H 1 0.82 0.02 . 1 . . . B 25 LEU HD22 . 18771 1 135 . 1 1 25 25 LEU HD23 H 1 0.82 0.02 . 1 . . . B 25 LEU HD23 . 18771 1 136 . 1 1 25 25 LEU CD1 C 13 26.31 0.30 . 1 . . . B 25 LEU CD1 . 18771 1 137 . 1 1 25 25 LEU CD2 C 13 24.48 0.30 . 1 . . . B 25 LEU CD2 . 18771 1 138 . 1 1 25 25 LEU N N 15 119.12 0.30 . 1 . . . B 25 LEU N . 18771 1 139 . 1 1 26 26 GLY H H 1 8.32 0.02 . 1 . . . B 26 GLY H . 18771 1 140 . 1 1 26 26 GLY N N 15 105.97 0.30 . 1 . . . B 26 GLY N . 18771 1 141 . 1 1 27 27 SER H H 1 8.03 0.02 . 1 . . . B 27 SER H . 18771 1 142 . 1 1 27 27 SER N N 15 117.28 0.30 . 1 . . . B 27 SER N . 18771 1 143 . 1 1 28 28 ILE H H 1 7.91 0.02 . 1 . . . B 28 ILE H . 18771 1 144 . 1 1 28 28 ILE HD11 H 1 0.81 0.02 . 1 . . . B 28 ILE HD11 . 18771 1 145 . 1 1 28 28 ILE HD12 H 1 0.81 0.02 . 1 . . . B 28 ILE HD12 . 18771 1 146 . 1 1 28 28 ILE HD13 H 1 0.81 0.02 . 1 . . . B 28 ILE HD13 . 18771 1 147 . 1 1 28 28 ILE CD1 C 13 14.55 0.30 . 1 . . . B 28 ILE CD1 . 18771 1 148 . 1 1 28 28 ILE N N 15 121.99 0.30 . 1 . . . B 28 ILE N . 18771 1 149 . 1 1 29 29 GLY H H 1 8.43 0.02 . 1 . . . B 29 GLY H . 18771 1 150 . 1 1 29 29 GLY N N 15 108.83 0.30 . 1 . . . B 29 GLY N . 18771 1 151 . 1 1 30 30 SER H H 1 8.11 0.02 . 1 . . . B 30 SER H . 18771 1 152 . 1 1 30 30 SER N N 15 116.61 0.30 . 1 . . . B 30 SER N . 18771 1 153 . 1 1 31 31 ASP H H 1 8.27 0.02 . 1 . . . B 31 ASP H . 18771 1 154 . 1 1 31 31 ASP N N 15 123.05 0.30 . 1 . . . B 31 ASP N . 18771 1 155 . 1 1 32 32 LEU H H 1 8.46 0.02 . 1 . . . B 32 LEU H . 18771 1 156 . 1 1 32 32 LEU HD11 H 1 0.94 0.02 . 1 . . . B 32 LEU HD11 . 18771 1 157 . 1 1 32 32 LEU HD12 H 1 0.94 0.02 . 1 . . . B 32 LEU HD12 . 18771 1 158 . 1 1 32 32 LEU HD13 H 1 0.94 0.02 . 1 . . . B 32 LEU HD13 . 18771 1 159 . 1 1 32 32 LEU HD21 H 1 0.91 0.02 . 1 . . . B 32 LEU HD21 . 18771 1 160 . 1 1 32 32 LEU HD22 H 1 0.91 0.02 . 1 . . . B 32 LEU HD22 . 18771 1 161 . 1 1 32 32 LEU HD23 H 1 0.91 0.02 . 1 . . . B 32 LEU HD23 . 18771 1 162 . 1 1 32 32 LEU CD1 C 13 25.89 0.30 . 1 . . . B 32 LEU CD1 . 18771 1 163 . 1 1 32 32 LEU CD2 C 13 25.11 0.30 . 1 . . . B 32 LEU CD2 . 18771 1 164 . 1 1 32 32 LEU N N 15 123.22 0.30 . 1 . . . B 32 LEU N . 18771 1 165 . 1 1 33 33 GLY H H 1 8.59 0.02 . 1 . . . B 33 GLY H . 18771 1 166 . 1 1 33 33 GLY N N 15 107.64 0.30 . 1 . . . B 33 GLY N . 18771 1 167 . 1 1 34 34 ALA H H 1 8.11 0.02 . 1 . . . B 34 ALA H . 18771 1 168 . 1 1 34 34 ALA HB1 H 1 1.50 0.02 . 1 . . . B 34 ALA HB1 . 18771 1 169 . 1 1 34 34 ALA HB2 H 1 1.50 0.02 . 1 . . . B 34 ALA HB2 . 18771 1 170 . 1 1 34 34 ALA HB3 H 1 1.50 0.02 . 1 . . . B 34 ALA HB3 . 18771 1 171 . 1 1 34 34 ALA CB C 13 19.44 0.30 . 1 . . . B 34 ALA CB . 18771 1 172 . 1 1 34 34 ALA N N 15 124.17 0.30 . 1 . . . B 34 ALA N . 18771 1 173 . 1 1 35 35 SER H H 1 8.09 0.02 . 1 . . . B 35 SER H . 18771 1 174 . 1 1 35 35 SER N N 15 116.22 0.30 . 1 . . . B 35 SER N . 18771 1 175 . 1 1 36 36 ILE H H 1 8.30 0.02 . 1 . . . B 36 ILE H . 18771 1 176 . 1 1 36 36 ILE HD11 H 1 0.87 0.02 . 1 . . . B 36 ILE HD11 . 18771 1 177 . 1 1 36 36 ILE HD12 H 1 0.87 0.02 . 1 . . . B 36 ILE HD12 . 18771 1 178 . 1 1 36 36 ILE HD13 H 1 0.87 0.02 . 1 . . . B 36 ILE HD13 . 18771 1 179 . 1 1 36 36 ILE CD1 C 13 14.10 0.30 . 1 . . . B 36 ILE CD1 . 18771 1 180 . 1 1 36 36 ILE N N 15 122.54 0.30 . 1 . . . B 36 ILE N . 18771 1 181 . 1 1 37 37 LYS H H 1 8.15 0.02 . 1 . . . B 37 LYS H . 18771 1 182 . 1 1 37 37 LYS N N 15 121.31 0.30 . 1 . . . B 37 LYS N . 18771 1 183 . 1 1 38 38 GLY H H 1 8.24 0.02 . 1 . . . B 38 GLY H . 18771 1 184 . 1 1 38 38 GLY N N 15 107.95 0.30 . 1 . . . B 38 GLY N . 18771 1 185 . 1 1 39 39 PHE H H 1 8.17 0.02 . 1 . . . B 39 PHE H . 18771 1 186 . 1 1 39 39 PHE N N 15 123.24 0.30 . 1 . . . B 39 PHE N . 18771 1 187 . 1 1 40 40 LYS H H 1 8.28 0.02 . 1 . . . B 40 LYS H . 18771 1 188 . 1 1 40 40 LYS N N 15 120.05 0.30 . 1 . . . B 40 LYS N . 18771 1 189 . 1 1 41 41 LYS H H 1 8.09 0.02 . 1 . . . B 41 LYS H . 18771 1 190 . 1 1 41 41 LYS N N 15 121.35 0.30 . 1 . . . B 41 LYS N . 18771 1 191 . 1 1 42 42 ALA H H 1 7.98 0.02 . 1 . . . B 42 ALA H . 18771 1 192 . 1 1 42 42 ALA HB1 H 1 1.48 0.02 . 1 . . . B 42 ALA HB1 . 18771 1 193 . 1 1 42 42 ALA HB2 H 1 1.48 0.02 . 1 . . . B 42 ALA HB2 . 18771 1 194 . 1 1 42 42 ALA HB3 H 1 1.48 0.02 . 1 . . . B 42 ALA HB3 . 18771 1 195 . 1 1 42 42 ALA CB C 13 19.61 0.30 . 1 . . . B 42 ALA CB . 18771 1 196 . 1 1 42 42 ALA N N 15 123.27 0.30 . 1 . . . B 42 ALA N . 18771 1 197 . 1 1 43 43 MET H H 1 7.84 0.02 . 1 . . . B 43 MET H . 18771 1 198 . 1 1 43 43 MET HE1 H 1 2.02 0.02 . 1 . . . B 43 MET HE1 . 18771 1 199 . 1 1 43 43 MET HE2 H 1 2.02 0.02 . 1 . . . B 43 MET HE2 . 18771 1 200 . 1 1 43 43 MET HE3 H 1 2.02 0.02 . 1 . . . B 43 MET HE3 . 18771 1 201 . 1 1 43 43 MET CE C 13 18.11 0.30 . 1 . . . B 43 MET CE . 18771 1 202 . 1 1 43 43 MET N N 15 116.49 0.30 . 1 . . . B 43 MET N . 18771 1 203 . 1 1 44 44 SER H H 1 7.89 0.02 . 1 . . . B 44 SER H . 18771 1 204 . 1 1 44 44 SER N N 15 115.85 0.30 . 1 . . . B 44 SER N . 18771 1 205 . 1 1 45 45 ASP H H 1 8.37 0.02 . 1 . . . B 45 ASP H . 18771 1 206 . 1 1 45 45 ASP N N 15 123.68 0.30 . 1 . . . B 45 ASP N . 18771 1 207 . 1 1 46 46 ASP H H 1 8.32 0.02 . 1 . . . B 46 ASP H . 18771 1 208 . 1 1 46 46 ASP N N 15 121.84 0.30 . 1 . . . B 46 ASP N . 18771 1 209 . 1 1 47 47 GLU H H 1 8.22 0.02 . 1 . . . B 47 GLU H . 18771 1 210 . 1 1 47 47 GLU N N 15 123.52 0.30 . 1 . . . B 47 GLU N . 18771 1 211 . 1 1 49 49 LYS H H 1 8.37 0.02 . 1 . . . B 49 LYS H . 18771 1 212 . 1 1 49 49 LYS N N 15 121.92 0.30 . 1 . . . B 49 LYS N . 18771 1 stop_ save_