################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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 $sample_1 . 4643 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 2 2 GLY H H 1 7.55 . . 1 . . . . . . . . 4643 1 2 . 1 1 2 2 GLY HA2 H 1 3.62 . . 2 . . . . . . . . 4643 1 3 . 1 1 2 2 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 4643 1 4 . 1 1 3 3 LEU H H 1 7.50 . . 1 . . . . . . . . 4643 1 5 . 1 1 3 3 LEU HA H 1 3.96 . . 1 . . . . . . . . 4643 1 6 . 1 1 3 3 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 4643 1 7 . 1 1 3 3 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 4643 1 8 . 1 1 3 3 LEU HG H 1 1.61 . . 1 . . . . . . . . 4643 1 9 . 1 1 3 3 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4643 1 10 . 1 1 3 3 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4643 1 11 . 1 1 3 3 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4643 1 12 . 1 1 3 3 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 4643 1 13 . 1 1 3 3 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 4643 1 14 . 1 1 3 3 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 4643 1 15 . 1 1 4 4 ARG H H 1 7.88 . . 1 . . . . . . . . 4643 1 16 . 1 1 4 4 ARG HA H 1 4.00 . . 1 . . . . . . . . 4643 1 17 . 1 1 4 4 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 4643 1 18 . 1 1 4 4 ARG HB3 H 1 1.84 . . 1 . . . . . . . . 4643 1 19 . 1 1 4 4 ARG HD2 H 1 3.10 . . 1 . . . . . . . . 4643 1 20 . 1 1 4 4 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 4643 1 21 . 1 1 5 5 ARG H H 1 8.59 . . 1 . . . . . . . . 4643 1 22 . 1 1 5 5 ARG HA H 1 4.03 . . 1 . . . . . . . . 4643 1 23 . 1 1 6 6 LEU H H 1 7.86 . . 1 . . . . . . . . 4643 1 24 . 1 1 6 6 LEU HA H 1 4.09 . . 1 . . . . . . . . 4643 1 25 . 1 1 6 6 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4643 1 26 . 1 1 6 6 LEU HB3 H 1 1.72 . . 1 . . . . . . . . 4643 1 27 . 1 1 6 6 LEU HG H 1 1.55 . . 1 . . . . . . . . 4643 1 28 . 1 1 6 6 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4643 1 29 . 1 1 6 6 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4643 1 30 . 1 1 6 6 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4643 1 31 . 1 1 6 6 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4643 1 32 . 1 1 6 6 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4643 1 33 . 1 1 6 6 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4643 1 34 . 1 1 7 7 GLY H H 1 8.23 . . 1 . . . . . . . . 4643 1 35 . 1 1 7 7 GLY HA2 H 1 3.67 . . 2 . . . . . . . . 4643 1 36 . 1 1 7 7 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4643 1 37 . 1 1 8 8 ARG H H 1 8.25 . . 1 . . . . . . . . 4643 1 38 . 1 1 8 8 ARG HA H 1 3.85 . . 1 . . . . . . . . 4643 1 39 . 1 1 9 9 LYS H H 1 7.82 . . 1 . . . . . . . . 4643 1 40 . 1 1 9 9 LYS HA H 1 4.04 . . 1 . . . . . . . . 4643 1 41 . 1 1 9 9 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 4643 1 42 . 1 1 9 9 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 4643 1 43 . 1 1 9 9 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 4643 1 44 . 1 1 9 9 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4643 1 45 . 1 1 9 9 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4643 1 46 . 1 1 9 9 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4643 1 47 . 1 1 9 9 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4643 1 48 . 1 1 9 9 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4643 1 49 . 1 1 10 10 ILE H H 1 8.30 . . 1 . . . . . . . . 4643 1 50 . 1 1 10 10 ILE HA H 1 3.65 . . 1 . . . . . . . . 4643 1 51 . 1 1 10 10 ILE HB H 1 1.83 . . 1 . . . . . . . . 4643 1 52 . 1 1 10 10 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4643 1 53 . 1 1 10 10 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4643 1 54 . 1 1 10 10 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4643 1 55 . 1 1 10 10 ILE HG12 H 1 1.00 . . 2 . . . . . . . . 4643 1 56 . 1 1 10 10 ILE HG13 H 1 1.66 . . 2 . . . . . . . . 4643 1 57 . 1 1 10 10 ILE HD11 H 1 0.71 . . 1 . . . . . . . . 4643 1 58 . 1 1 10 10 ILE HD12 H 1 0.71 . . 1 . . . . . . . . 4643 1 59 . 1 1 10 10 ILE HD13 H 1 0.71 . . 1 . . . . . . . . 4643 1 60 . 1 1 11 11 ALA H H 1 8.15 . . 1 . . . . . . . . 4643 1 61 . 1 1 11 11 ALA HA H 1 3.92 . . 1 . . . . . . . . 4643 1 62 . 1 1 11 11 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4643 1 63 . 1 1 11 11 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4643 1 64 . 1 1 11 11 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4643 1 65 . 1 1 12 12 HIS H H 1 8.07 . . 1 . . . . . . . . 4643 1 66 . 1 1 12 12 HIS HA H 1 4.20 . . 1 . . . . . . . . 4643 1 67 . 1 1 12 12 HIS HB2 H 1 3.23 . . 1 . . . . . . . . 4643 1 68 . 1 1 12 12 HIS HB3 H 1 3.23 . . 1 . . . . . . . . 4643 1 69 . 1 1 12 12 HIS HD2 H 1 8.02 . . 1 . . . . . . . . 4643 1 70 . 1 1 12 12 HIS HE1 H 1 7.04 . . 1 . . . . . . . . 4643 1 71 . 1 1 13 13 GLY H H 1 8.24 . . 1 . . . . . . . . 4643 1 72 . 1 1 13 13 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 4643 1 73 . 1 1 13 13 GLY HA3 H 1 4.38 . . 2 . . . . . . . . 4643 1 74 . 1 1 14 14 VAL H H 1 8.63 . . 1 . . . . . . . . 4643 1 75 . 1 1 14 14 VAL HA H 1 3.68 . . 1 . . . . . . . . 4643 1 76 . 1 1 14 14 VAL HB H 1 2.04 . . 1 . . . . . . . . 4643 1 77 . 1 1 14 14 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4643 1 78 . 1 1 14 14 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4643 1 79 . 1 1 14 14 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4643 1 80 . 1 1 14 14 VAL HG21 H 1 0.76 . . 2 . . . . . . . . 4643 1 81 . 1 1 14 14 VAL HG22 H 1 0.76 . . 2 . . . . . . . . 4643 1 82 . 1 1 14 14 VAL HG23 H 1 0.76 . . 2 . . . . . . . . 4643 1 83 . 1 1 15 15 LYS H H 1 7.84 . . 1 . . . . . . . . 4643 1 84 . 1 1 15 15 LYS HA H 1 3.87 . . 1 . . . . . . . . 4643 1 85 . 1 1 15 15 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 4643 1 86 . 1 1 15 15 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 4643 1 87 . 1 1 15 15 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4643 1 88 . 1 1 15 15 LYS HG3 H 1 1.45 . . 2 . . . . . . . . 4643 1 89 . 1 1 15 15 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 4643 1 90 . 1 1 15 15 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 4643 1 91 . 1 1 15 15 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4643 1 92 . 1 1 15 15 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4643 1 93 . 1 1 16 16 LYS H H 1 7.61 . . 1 . . . . . . . . 4643 1 94 . 1 1 16 16 LYS HA H 1 3.86 . . 1 . . . . . . . . 4643 1 95 . 1 1 16 16 LYS HB2 H 1 1.26 . . 2 . . . . . . . . 4643 1 96 . 1 1 16 16 LYS HB3 H 1 1.12 . . 2 . . . . . . . . 4643 1 97 . 1 1 16 16 LYS HG2 H 1 0.86 . . 2 . . . . . . . . 4643 1 98 . 1 1 16 16 LYS HG3 H 1 0.44 . . 2 . . . . . . . . 4643 1 99 . 1 1 16 16 LYS HD2 H 1 1.34 . . 1 . . . . . . . . 4643 1 100 . 1 1 16 16 LYS HD3 H 1 1.34 . . 1 . . . . . . . . 4643 1 101 . 1 1 16 16 LYS HE2 H 1 2.70 . . 1 . . . . . . . . 4643 1 102 . 1 1 16 16 LYS HE3 H 1 2.70 . . 1 . . . . . . . . 4643 1 103 . 1 1 17 17 TYR H H 1 8.47 . . 1 . . . . . . . . 4643 1 104 . 1 1 17 17 TYR HA H 1 4.66 . . 1 . . . . . . . . 4643 1 105 . 1 1 17 17 TYR HB2 H 1 3.15 . . 2 . . . . . . . . 4643 1 106 . 1 1 17 17 TYR HB3 H 1 2.75 . . 2 . . . . . . . . 4643 1 107 . 1 1 17 17 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 4643 1 108 . 1 1 17 17 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 4643 1 109 . 1 1 17 17 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 4643 1 110 . 1 1 17 17 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 4643 1 111 . 1 1 18 18 GLY H H 1 8.24 . . 1 . . . . . . . . 4643 1 112 . 1 1 18 18 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 4643 1 113 . 1 1 18 18 GLY HA3 H 1 4.36 . . 2 . . . . . . . . 4643 1 114 . 1 1 19 19 PRO HA H 1 4.19 . . 1 . . . . . . . . 4643 1 115 . 1 1 19 19 PRO HB2 H 1 2.21 . . 1 . . . . . . . . 4643 1 116 . 1 1 19 19 PRO HB3 H 1 2.21 . . 1 . . . . . . . . 4643 1 117 . 1 1 19 19 PRO HG2 H 1 1.92 . . 2 . . . . . . . . 4643 1 118 . 1 1 19 19 PRO HG3 H 1 1.98 . . 2 . . . . . . . . 4643 1 119 . 1 1 19 19 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4643 1 120 . 1 1 19 19 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 4643 1 121 . 1 1 20 20 THR H H 1 7.96 . . 1 . . . . . . . . 4643 1 122 . 1 1 20 20 THR HA H 1 3.87 . . 1 . . . . . . . . 4643 1 123 . 1 1 20 20 THR HB H 1 4.09 . . 1 . . . . . . . . 4643 1 124 . 1 1 20 20 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4643 1 125 . 1 1 20 20 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4643 1 126 . 1 1 20 20 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4643 1 127 . 1 1 21 21 VAL H H 1 7.66 . . 1 . . . . . . . . 4643 1 128 . 1 1 21 21 VAL HA H 1 3.68 . . 1 . . . . . . . . 4643 1 129 . 1 1 21 21 VAL HB H 1 2.01 . . 1 . . . . . . . . 4643 1 130 . 1 1 21 21 VAL HG11 H 1 0.93 . . 2 . . . . . . . . 4643 1 131 . 1 1 21 21 VAL HG12 H 1 0.93 . . 2 . . . . . . . . 4643 1 132 . 1 1 21 21 VAL HG13 H 1 0.93 . . 2 . . . . . . . . 4643 1 133 . 1 1 21 21 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 4643 1 134 . 1 1 21 21 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 4643 1 135 . 1 1 21 21 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 4643 1 136 . 1 1 22 22 LEU H H 1 8.18 . . 1 . . . . . . . . 4643 1 137 . 1 1 22 22 LEU HA H 1 4.20 . . 1 . . . . . . . . 4643 1 138 . 1 1 22 22 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 4643 1 139 . 1 1 22 22 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 4643 1 140 . 1 1 22 22 LEU HG H 1 1.56 . . 1 . . . . . . . . 4643 1 141 . 1 1 22 22 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4643 1 142 . 1 1 22 22 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4643 1 143 . 1 1 22 22 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4643 1 144 . 1 1 22 22 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4643 1 145 . 1 1 22 22 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4643 1 146 . 1 1 22 22 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4643 1 147 . 1 1 23 23 ARG H H 1 7.45 . . 1 . . . . . . . . 4643 1 148 . 1 1 23 23 ARG HA H 1 4.00 . . 1 . . . . . . . . 4643 1 149 . 1 1 23 23 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 4643 1 150 . 1 1 23 23 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4643 1 151 . 1 1 23 23 ARG HG2 H 1 1.67 . . 2 . . . . . . . . 4643 1 152 . 1 1 23 23 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4643 1 153 . 1 1 23 23 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 4643 1 154 . 1 1 23 23 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 4643 1 155 . 1 1 24 24 ILE H H 1 7.70 . . 1 . . . . . . . . 4643 1 156 . 1 1 24 24 ILE HA H 1 3.79 . . 1 . . . . . . . . 4643 1 157 . 1 1 24 24 ILE HB H 1 1.84 . . 1 . . . . . . . . 4643 1 158 . 1 1 24 24 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4643 1 159 . 1 1 24 24 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4643 1 160 . 1 1 24 24 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4643 1 161 . 1 1 24 24 ILE HG12 H 1 1.18 . . 2 . . . . . . . . 4643 1 162 . 1 1 24 24 ILE HG13 H 1 1.48 . . 2 . . . . . . . . 4643 1 163 . 1 1 24 24 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 4643 1 164 . 1 1 24 24 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 4643 1 165 . 1 1 24 24 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 4643 1 166 . 1 1 25 25 ILE H H 1 7.48 . . 1 . . . . . . . . 4643 1 167 . 1 1 25 25 ILE HA H 1 3.79 . . 1 . . . . . . . . 4643 1 168 . 1 1 25 25 ILE HB H 1 1.87 . . 1 . . . . . . . . 4643 1 169 . 1 1 25 25 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4643 1 170 . 1 1 25 25 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4643 1 171 . 1 1 25 25 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4643 1 172 . 1 1 25 25 ILE HG12 H 1 1.09 . . 2 . . . . . . . . 4643 1 173 . 1 1 25 25 ILE HG13 H 1 1.44 . . 2 . . . . . . . . 4643 1 174 . 1 1 25 25 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4643 1 175 . 1 1 25 25 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4643 1 176 . 1 1 25 25 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4643 1 177 . 1 1 26 26 ARG H H 1 7.59 . . 1 . . . . . . . . 4643 1 178 . 1 1 26 26 ARG HA H 1 4.13 . . 1 . . . . . . . . 4643 1 179 . 1 1 26 26 ARG HB2 H 1 1.82 . . 1 . . . . . . . . 4643 1 180 . 1 1 26 26 ARG HB3 H 1 1.82 . . 1 . . . . . . . . 4643 1 181 . 1 1 26 26 ARG HG2 H 1 1.60 . . 2 . . . . . . . . 4643 1 182 . 1 1 26 26 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 4643 1 183 . 1 1 26 26 ARG HD2 H 1 3.09 . . 1 . . . . . . . . 4643 1 184 . 1 1 26 26 ARG HD3 H 1 3.09 . . 1 . . . . . . . . 4643 1 185 . 1 1 27 27 ILE H H 1 7.67 . . 1 . . . . . . . . 4643 1 186 . 1 1 27 27 ILE HA H 1 3.99 . . 1 . . . . . . . . 4643 1 187 . 1 1 27 27 ILE HB H 1 1.83 . . 1 . . . . . . . . 4643 1 188 . 1 1 27 27 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4643 1 189 . 1 1 27 27 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4643 1 190 . 1 1 27 27 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4643 1 191 . 1 1 27 27 ILE HG12 H 1 1.11 . . 1 . . . . . . . . 4643 1 192 . 1 1 27 27 ILE HG13 H 1 1.11 . . 1 . . . . . . . . 4643 1 193 . 1 1 27 27 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4643 1 194 . 1 1 27 27 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4643 1 195 . 1 1 27 27 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4643 1 196 . 1 1 28 28 ALA H H 1 7.96 . . 1 . . . . . . . . 4643 1 197 . 1 1 28 28 ALA HA H 1 4.29 . . 1 . . . . . . . . 4643 1 198 . 1 1 28 28 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 4643 1 199 . 1 1 28 28 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 4643 1 200 . 1 1 28 28 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 4643 1 201 . 1 1 29 29 GLY H H 1 7.55 . . 1 . . . . . . . . 4643 1 202 . 1 1 29 29 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 4643 1 203 . 1 1 29 29 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4643 1 stop_ save_