################################### # 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_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 321 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 ALA HA H 1 4.138 . . 1 . . . . . . . . 321 1 2 . 1 1 1 1 ALA HB1 H 1 1.517 . . 1 . . . . . . . . 321 1 3 . 1 1 1 1 ALA HB2 H 1 1.517 . . 1 . . . . . . . . 321 1 4 . 1 1 1 1 ALA HB3 H 1 1.517 . . 1 . . . . . . . . 321 1 5 . 1 1 2 2 VAL H H 1 8.519 . . 1 . . . . . . . . 321 1 6 . 1 1 2 2 VAL HA H 1 4.174 . . 1 . . . . . . . . 321 1 7 . 1 1 2 2 VAL HB H 1 2.07 . . 1 . . . . . . . . 321 1 8 . 1 1 2 2 VAL HG11 H 1 .931 . . 2 . . . . . . . . 321 1 9 . 1 1 2 2 VAL HG12 H 1 .931 . . 2 . . . . . . . . 321 1 10 . 1 1 2 2 VAL HG13 H 1 .931 . . 2 . . . . . . . . 321 1 11 . 1 1 2 2 VAL HG21 H 1 .946 . . 2 . . . . . . . . 321 1 12 . 1 1 2 2 VAL HG22 H 1 .946 . . 2 . . . . . . . . 321 1 13 . 1 1 2 2 VAL HG23 H 1 .946 . . 2 . . . . . . . . 321 1 14 . 1 1 3 3 SER H H 1 8.456 . . 1 . . . . . . . . 321 1 15 . 1 1 3 3 SER HA H 1 4.473 . . 1 . . . . . . . . 321 1 16 . 1 1 3 3 SER HB2 H 1 3.895 . . 2 . . . . . . . . 321 1 17 . 1 1 3 3 SER HB3 H 1 3.94 . . 2 . . . . . . . . 321 1 18 . 1 1 4 4 GLU H H 1 8.22 . . 1 . . . . . . . . 321 1 19 . 1 1 4 4 GLU HA H 1 4.22 . . 1 . . . . . . . . 321 1 20 . 1 1 4 4 GLU HB2 H 1 1.913 . . 2 . . . . . . . . 321 1 21 . 1 1 4 4 GLU HB3 H 1 2 . . 2 . . . . . . . . 321 1 22 . 1 1 4 4 GLU HG2 H 1 2.275 . . 2 . . . . . . . . 321 1 23 . 1 1 4 4 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 321 1 24 . 1 1 5 5 HIS H H 1 8.436 . . 1 . . . . . . . . 321 1 25 . 1 1 5 5 HIS HA H 1 4.66 . . 1 . . . . . . . . 321 1 26 . 1 1 5 5 HIS HB2 H 1 3.16 . . 2 . . . . . . . . 321 1 27 . 1 1 5 5 HIS HB3 H 1 3.267 . . 2 . . . . . . . . 321 1 28 . 1 1 5 5 HIS HD2 H 1 7.286 . . 1 . . . . . . . . 321 1 29 . 1 1 5 5 HIS HE1 H 1 8.606 . . 1 . . . . . . . . 321 1 30 . 1 1 6 6 GLN H H 1 8.36 . . 1 . . . . . . . . 321 1 31 . 1 1 6 6 GLN HA H 1 4.262 . . 1 . . . . . . . . 321 1 32 . 1 1 6 6 GLN HB2 H 1 1.973 . . 2 . . . . . . . . 321 1 33 . 1 1 6 6 GLN HB3 H 1 2.05 . . 2 . . . . . . . . 321 1 34 . 1 1 6 6 GLN HG2 H 1 2.342 . . 1 . . . . . . . . 321 1 35 . 1 1 6 6 GLN HG3 H 1 2.342 . . 1 . . . . . . . . 321 1 36 . 1 1 7 7 LEU H H 1 8.154 . . 1 . . . . . . . . 321 1 37 . 1 1 7 7 LEU HA H 1 4.282 . . 1 . . . . . . . . 321 1 38 . 1 1 7 7 LEU HB2 H 1 1.472 . . 1 . . . . . . . . 321 1 39 . 1 1 7 7 LEU HB3 H 1 1.472 . . 1 . . . . . . . . 321 1 40 . 1 1 7 7 LEU HG H 1 1.538 . . 1 . . . . . . . . 321 1 41 . 1 1 7 7 LEU HD11 H 1 .884 . . 2 . . . . . . . . 321 1 42 . 1 1 7 7 LEU HD12 H 1 .884 . . 2 . . . . . . . . 321 1 43 . 1 1 7 7 LEU HD13 H 1 .884 . . 2 . . . . . . . . 321 1 44 . 1 1 7 7 LEU HD21 H 1 .83 . . 2 . . . . . . . . 321 1 45 . 1 1 7 7 LEU HD22 H 1 .83 . . 2 . . . . . . . . 321 1 46 . 1 1 7 7 LEU HD23 H 1 .83 . . 2 . . . . . . . . 321 1 47 . 1 1 8 8 LEU H H 1 8.038 . . 1 . . . . . . . . 321 1 48 . 1 1 8 8 LEU HA H 1 4.159 . . 1 . . . . . . . . 321 1 49 . 1 1 8 8 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 321 1 50 . 1 1 8 8 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 321 1 51 . 1 1 8 8 LEU HG H 1 1.613 . . 1 . . . . . . . . 321 1 52 . 1 1 8 8 LEU HD11 H 1 .914 . . 2 . . . . . . . . 321 1 53 . 1 1 8 8 LEU HD12 H 1 .914 . . 2 . . . . . . . . 321 1 54 . 1 1 8 8 LEU HD13 H 1 .914 . . 2 . . . . . . . . 321 1 55 . 1 1 8 8 LEU HD21 H 1 .852 . . 2 . . . . . . . . 321 1 56 . 1 1 8 8 LEU HD22 H 1 .852 . . 2 . . . . . . . . 321 1 57 . 1 1 8 8 LEU HD23 H 1 .852 . . 2 . . . . . . . . 321 1 58 . 1 1 9 9 HIS H H 1 8.247 . . 1 . . . . . . . . 321 1 59 . 1 1 9 9 HIS HA H 1 4.575 . . 1 . . . . . . . . 321 1 60 . 1 1 9 9 HIS HB2 H 1 3.118 . . 2 . . . . . . . . 321 1 61 . 1 1 9 9 HIS HB3 H 1 3.229 . . 2 . . . . . . . . 321 1 62 . 1 1 9 9 HIS HD2 H 1 7.286 . . 1 . . . . . . . . 321 1 63 . 1 1 9 9 HIS HE1 H 1 8.591 . . 1 . . . . . . . . 321 1 64 . 1 1 10 10 ASP H H 1 8.24 . . 1 . . . . . . . . 321 1 65 . 1 1 10 10 ASP HA H 1 4.554 . . 1 . . . . . . . . 321 1 66 . 1 1 10 10 ASP HB2 H 1 2.721 . . 2 . . . . . . . . 321 1 67 . 1 1 10 10 ASP HB3 H 1 2.658 . . 2 . . . . . . . . 321 1 68 . 1 1 11 11 LYS H H 1 7.965 . . 1 . . . . . . . . 321 1 69 . 1 1 11 11 LYS HA H 1 4.192 . . 1 . . . . . . . . 321 1 70 . 1 1 11 11 LYS HB2 H 1 1.743 . . 2 . . . . . . . . 321 1 71 . 1 1 11 11 LYS HB3 H 1 1.873 . . 2 . . . . . . . . 321 1 72 . 1 1 11 11 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 321 1 73 . 1 1 11 11 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 321 1 74 . 1 1 11 11 LYS HD2 H 1 1.671 . . 1 . . . . . . . . 321 1 75 . 1 1 11 11 LYS HD3 H 1 1.671 . . 1 . . . . . . . . 321 1 76 . 1 1 11 11 LYS HE2 H 1 2.975 . . 1 . . . . . . . . 321 1 77 . 1 1 11 11 LYS HE3 H 1 2.975 . . 1 . . . . . . . . 321 1 78 . 1 1 12 12 GLY H H 1 8.472 . . 1 . . . . . . . . 321 1 79 . 1 1 12 12 GLY HA2 H 1 3.936 . . 1 . . . . . . . . 321 1 80 . 1 1 12 12 GLY HA3 H 1 3.936 . . 1 . . . . . . . . 321 1 81 . 1 1 13 13 LYS H H 1 8.105 . . 1 . . . . . . . . 321 1 82 . 1 1 13 13 LYS HA H 1 4.36 . . 1 . . . . . . . . 321 1 83 . 1 1 13 13 LYS HB2 H 1 1.752 . . 2 . . . . . . . . 321 1 84 . 1 1 13 13 LYS HB3 H 1 1.882 . . 2 . . . . . . . . 321 1 85 . 1 1 13 13 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 321 1 86 . 1 1 13 13 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 321 1 87 . 1 1 13 13 LYS HD2 H 1 1.671 . . 1 . . . . . . . . 321 1 88 . 1 1 13 13 LYS HD3 H 1 1.671 . . 1 . . . . . . . . 321 1 89 . 1 1 13 13 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 321 1 90 . 1 1 13 13 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 321 1 91 . 1 1 14 14 SER H H 1 8.416 . . 1 . . . . . . . . 321 1 92 . 1 1 14 14 SER HA H 1 4.451 . . 1 . . . . . . . . 321 1 93 . 1 1 14 14 SER HB2 H 1 3.83 . . 2 . . . . . . . . 321 1 94 . 1 1 14 14 SER HB3 H 1 3.878 . . 2 . . . . . . . . 321 1 95 . 1 1 15 15 ILE H H 1 8.221 . . 1 . . . . . . . . 321 1 96 . 1 1 15 15 ILE HA H 1 4.104 . . 1 . . . . . . . . 321 1 97 . 1 1 15 15 ILE HB H 1 1.884 . . 1 . . . . . . . . 321 1 98 . 1 1 15 15 ILE HG12 H 1 1.231 . . 2 . . . . . . . . 321 1 99 . 1 1 15 15 ILE HG13 H 1 1.471 . . 2 . . . . . . . . 321 1 100 . 1 1 15 15 ILE HG21 H 1 .911 . . 1 . . . . . . . . 321 1 101 . 1 1 15 15 ILE HG22 H 1 .911 . . 1 . . . . . . . . 321 1 102 . 1 1 15 15 ILE HG23 H 1 .911 . . 1 . . . . . . . . 321 1 103 . 1 1 15 15 ILE HD11 H 1 .858 . . 1 . . . . . . . . 321 1 104 . 1 1 15 15 ILE HD12 H 1 .858 . . 1 . . . . . . . . 321 1 105 . 1 1 15 15 ILE HD13 H 1 .858 . . 1 . . . . . . . . 321 1 106 . 1 1 16 16 GLN H H 1 8.5 . . 1 . . . . . . . . 321 1 107 . 1 1 16 16 GLN HA H 1 4.25 . . 1 . . . . . . . . 321 1 108 . 1 1 16 16 GLN HB2 H 1 1.973 . . 2 . . . . . . . . 321 1 109 . 1 1 16 16 GLN HB3 H 1 2.05 . . 2 . . . . . . . . 321 1 110 . 1 1 16 16 GLN HG2 H 1 2.355 . . 1 . . . . . . . . 321 1 111 . 1 1 16 16 GLN HG3 H 1 2.355 . . 1 . . . . . . . . 321 1 112 . 1 1 17 17 ASP H H 1 8.352 . . 1 . . . . . . . . 321 1 113 . 1 1 17 17 ASP HA H 1 4.595 . . 1 . . . . . . . . 321 1 114 . 1 1 17 17 ASP HB2 H 1 2.617 . . 2 . . . . . . . . 321 1 115 . 1 1 17 17 ASP HB3 H 1 2.7 . . 2 . . . . . . . . 321 1 116 . 1 1 18 18 LEU H H 1 8.408 . . 1 . . . . . . . . 321 1 117 . 1 1 18 18 LEU HA H 1 4.29 . . 1 . . . . . . . . 321 1 118 . 1 1 18 18 LEU HB2 H 1 1.626 . . 1 . . . . . . . . 321 1 119 . 1 1 18 18 LEU HB3 H 1 1.626 . . 1 . . . . . . . . 321 1 120 . 1 1 18 18 LEU HG H 1 1.68 . . 1 . . . . . . . . 321 1 121 . 1 1 18 18 LEU HD11 H 1 .917 . . 2 . . . . . . . . 321 1 122 . 1 1 18 18 LEU HD12 H 1 .917 . . 2 . . . . . . . . 321 1 123 . 1 1 18 18 LEU HD13 H 1 .917 . . 2 . . . . . . . . 321 1 124 . 1 1 18 18 LEU HD21 H 1 .859 . . 2 . . . . . . . . 321 1 125 . 1 1 18 18 LEU HD22 H 1 .859 . . 2 . . . . . . . . 321 1 126 . 1 1 18 18 LEU HD23 H 1 .859 . . 2 . . . . . . . . 321 1 127 . 1 1 19 19 ARG H H 1 8.173 . . 1 . . . . . . . . 321 1 128 . 1 1 19 19 ARG HA H 1 4.208 . . 1 . . . . . . . . 321 1 129 . 1 1 19 19 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 321 1 130 . 1 1 19 19 ARG HB3 H 1 1.886 . . 2 . . . . . . . . 321 1 131 . 1 1 19 19 ARG HG2 H 1 1.679 . . 1 . . . . . . . . 321 1 132 . 1 1 19 19 ARG HG3 H 1 1.679 . . 1 . . . . . . . . 321 1 133 . 1 1 19 19 ARG HD2 H 1 3.191 . . 1 . . . . . . . . 321 1 134 . 1 1 19 19 ARG HD3 H 1 3.191 . . 1 . . . . . . . . 321 1 135 . 1 1 20 20 ARG H H 1 8.094 . . 1 . . . . . . . . 321 1 136 . 1 1 20 20 ARG HA H 1 4.207 . . 1 . . . . . . . . 321 1 137 . 1 1 20 20 ARG HB2 H 1 1.631 . . 2 . . . . . . . . 321 1 138 . 1 1 20 20 ARG HB3 H 1 1.739 . . 2 . . . . . . . . 321 1 139 . 1 1 20 20 ARG HG2 H 1 1.475 . . 1 . . . . . . . . 321 1 140 . 1 1 20 20 ARG HG3 H 1 1.475 . . 1 . . . . . . . . 321 1 141 . 1 1 20 20 ARG HD2 H 1 3.111 . . 1 . . . . . . . . 321 1 142 . 1 1 20 20 ARG HD3 H 1 3.111 . . 1 . . . . . . . . 321 1 143 . 1 1 21 21 ARG H H 1 8.154 . . 1 . . . . . . . . 321 1 144 . 1 1 21 21 ARG HA H 1 4.196 . . 1 . . . . . . . . 321 1 145 . 1 1 21 21 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 321 1 146 . 1 1 21 21 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 321 1 147 . 1 1 21 21 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 321 1 148 . 1 1 21 21 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 321 1 149 . 1 1 21 21 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 321 1 150 . 1 1 21 21 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 321 1 151 . 1 1 22 22 PHE H H 1 8.072 . . 1 . . . . . . . . 321 1 152 . 1 1 22 22 PHE HA H 1 4.522 . . 1 . . . . . . . . 321 1 153 . 1 1 22 22 PHE HB2 H 1 2.983 . . 2 . . . . . . . . 321 1 154 . 1 1 22 22 PHE HB3 H 1 3.122 . . 2 . . . . . . . . 321 1 155 . 1 1 22 22 PHE HD1 H 1 7.108 . . 1 . . . . . . . . 321 1 156 . 1 1 22 22 PHE HD2 H 1 7.108 . . 1 . . . . . . . . 321 1 157 . 1 1 22 22 PHE HE1 H 1 7.268 . . 1 . . . . . . . . 321 1 158 . 1 1 22 22 PHE HE2 H 1 7.268 . . 1 . . . . . . . . 321 1 159 . 1 1 23 23 PHE H H 1 8.058 . . 1 . . . . . . . . 321 1 160 . 1 1 23 23 PHE HA H 1 4.522 . . 1 . . . . . . . . 321 1 161 . 1 1 23 23 PHE HB2 H 1 3.022 . . 2 . . . . . . . . 321 1 162 . 1 1 23 23 PHE HB3 H 1 3.155 . . 2 . . . . . . . . 321 1 163 . 1 1 23 23 PHE HD1 H 1 7.217 . . 1 . . . . . . . . 321 1 164 . 1 1 23 23 PHE HD2 H 1 7.217 . . 1 . . . . . . . . 321 1 165 . 1 1 23 23 PHE HE1 H 1 7.321 . . 1 . . . . . . . . 321 1 166 . 1 1 23 23 PHE HE2 H 1 7.321 . . 1 . . . . . . . . 321 1 167 . 1 1 24 24 LEU H H 1 8.299 . . 1 . . . . . . . . 321 1 168 . 1 1 24 24 LEU HA H 1 4.318 . . 1 . . . . . . . . 321 1 169 . 1 1 24 24 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 321 1 170 . 1 1 24 24 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 321 1 171 . 1 1 24 24 LEU HG H 1 1.538 . . 1 . . . . . . . . 321 1 172 . 1 1 24 24 LEU HD11 H 1 .83 . . 2 . . . . . . . . 321 1 173 . 1 1 24 24 LEU HD12 H 1 .83 . . 2 . . . . . . . . 321 1 174 . 1 1 24 24 LEU HD13 H 1 .83 . . 2 . . . . . . . . 321 1 175 . 1 1 24 24 LEU HD21 H 1 .884 . . 2 . . . . . . . . 321 1 176 . 1 1 24 24 LEU HD22 H 1 .884 . . 2 . . . . . . . . 321 1 177 . 1 1 24 24 LEU HD23 H 1 .884 . . 2 . . . . . . . . 321 1 178 . 1 1 25 25 HIS H H 1 8.519 . . 1 . . . . . . . . 321 1 179 . 1 1 25 25 HIS HA H 1 4.64 . . 1 . . . . . . . . 321 1 180 . 1 1 25 25 HIS HB2 H 1 3.071 . . 2 . . . . . . . . 321 1 181 . 1 1 25 25 HIS HB3 H 1 3.2 . . 2 . . . . . . . . 321 1 182 . 1 1 25 25 HIS HD2 H 1 7.244 . . 1 . . . . . . . . 321 1 183 . 1 1 25 25 HIS HE1 H 1 8.56 . . 1 . . . . . . . . 321 1 184 . 1 1 26 26 HIS H H 1 8.299 . . 1 . . . . . . . . 321 1 185 . 1 1 26 26 HIS HA H 1 4.63 . . 1 . . . . . . . . 321 1 186 . 1 1 26 26 HIS HB2 H 1 3.105 . . 2 . . . . . . . . 321 1 187 . 1 1 26 26 HIS HB3 H 1 3.225 . . 2 . . . . . . . . 321 1 188 . 1 1 26 26 HIS HD2 H 1 7.213 . . 1 . . . . . . . . 321 1 189 . 1 1 26 26 HIS HE1 H 1 8.544 . . 1 . . . . . . . . 321 1 190 . 1 1 27 27 LEU H H 1 8.135 . . 1 . . . . . . . . 321 1 191 . 1 1 27 27 LEU HA H 1 4.15 . . 1 . . . . . . . . 321 1 192 . 1 1 27 27 LEU HB2 H 1 1.405 . . 1 . . . . . . . . 321 1 193 . 1 1 27 27 LEU HB3 H 1 1.405 . . 1 . . . . . . . . 321 1 194 . 1 1 27 27 LEU HG H 1 1.48 . . 1 . . . . . . . . 321 1 195 . 1 1 27 27 LEU HD11 H 1 .824 . . 2 . . . . . . . . 321 1 196 . 1 1 27 27 LEU HD12 H 1 .824 . . 2 . . . . . . . . 321 1 197 . 1 1 27 27 LEU HD13 H 1 .824 . . 2 . . . . . . . . 321 1 198 . 1 1 27 27 LEU HD21 H 1 .894 . . 2 . . . . . . . . 321 1 199 . 1 1 27 27 LEU HD22 H 1 .894 . . 2 . . . . . . . . 321 1 200 . 1 1 27 27 LEU HD23 H 1 .894 . . 2 . . . . . . . . 321 1 201 . 1 1 28 28 ILE H H 1 8.14 . . 1 . . . . . . . . 321 1 202 . 1 1 28 28 ILE HA H 1 4.112 . . 1 . . . . . . . . 321 1 203 . 1 1 28 28 ILE HB H 1 1.817 . . 1 . . . . . . . . 321 1 204 . 1 1 28 28 ILE HG12 H 1 1.436 . . 2 . . . . . . . . 321 1 205 . 1 1 28 28 ILE HG13 H 1 1.146 . . 2 . . . . . . . . 321 1 206 . 1 1 28 28 ILE HG21 H 1 .885 . . 1 . . . . . . . . 321 1 207 . 1 1 28 28 ILE HG22 H 1 .885 . . 1 . . . . . . . . 321 1 208 . 1 1 28 28 ILE HG23 H 1 .885 . . 1 . . . . . . . . 321 1 209 . 1 1 28 28 ILE HD11 H 1 .833 . . 1 . . . . . . . . 321 1 210 . 1 1 28 28 ILE HD12 H 1 .833 . . 1 . . . . . . . . 321 1 211 . 1 1 28 28 ILE HD13 H 1 .833 . . 1 . . . . . . . . 321 1 212 . 1 1 29 29 ALA H H 1 8.315 . . 1 . . . . . . . . 321 1 213 . 1 1 29 29 ALA HA H 1 4.296 . . 1 . . . . . . . . 321 1 214 . 1 1 29 29 ALA HB1 H 1 1.394 . . 1 . . . . . . . . 321 1 215 . 1 1 29 29 ALA HB2 H 1 1.394 . . 1 . . . . . . . . 321 1 216 . 1 1 29 29 ALA HB3 H 1 1.394 . . 1 . . . . . . . . 321 1 217 . 1 1 30 30 GLU H H 1 8.318 . . 1 . . . . . . . . 321 1 218 . 1 1 30 30 GLU HA H 1 4.232 . . 1 . . . . . . . . 321 1 219 . 1 1 30 30 GLU HB2 H 1 1.909 . . 2 . . . . . . . . 321 1 220 . 1 1 30 30 GLU HB3 H 1 1.998 . . 2 . . . . . . . . 321 1 221 . 1 1 30 30 GLU HG2 H 1 2.24 . . 2 . . . . . . . . 321 1 222 . 1 1 30 30 GLU HG3 H 1 2.275 . . 2 . . . . . . . . 321 1 223 . 1 1 31 31 ILE H H 1 8.126 . . 1 . . . . . . . . 321 1 224 . 1 1 31 31 ILE HA H 1 4.115 . . 1 . . . . . . . . 321 1 225 . 1 1 31 31 ILE HB H 1 1.784 . . 1 . . . . . . . . 321 1 226 . 1 1 31 31 ILE HG12 H 1 1.382 . . 2 . . . . . . . . 321 1 227 . 1 1 31 31 ILE HG13 H 1 1.135 . . 2 . . . . . . . . 321 1 228 . 1 1 31 31 ILE HG21 H 1 .831 . . 1 . . . . . . . . 321 1 229 . 1 1 31 31 ILE HG22 H 1 .831 . . 1 . . . . . . . . 321 1 230 . 1 1 31 31 ILE HG23 H 1 .831 . . 1 . . . . . . . . 321 1 231 . 1 1 31 31 ILE HD11 H 1 .824 . . 1 . . . . . . . . 321 1 232 . 1 1 31 31 ILE HD12 H 1 .824 . . 1 . . . . . . . . 321 1 233 . 1 1 31 31 ILE HD13 H 1 .824 . . 1 . . . . . . . . 321 1 234 . 1 1 32 32 HIS H H 1 8.63 . . 1 . . . . . . . . 321 1 235 . 1 1 32 32 HIS HA H 1 4.825 . . 1 . . . . . . . . 321 1 236 . 1 1 32 32 HIS HB2 H 1 3.163 . . 2 . . . . . . . . 321 1 237 . 1 1 32 32 HIS HB3 H 1 3.287 . . 2 . . . . . . . . 321 1 238 . 1 1 32 32 HIS HD2 H 1 7.272 . . 1 . . . . . . . . 321 1 239 . 1 1 32 32 HIS HE1 H 1 8.602 . . 1 . . . . . . . . 321 1 240 . 1 1 33 33 THR H H 1 8.212 . . 1 . . . . . . . . 321 1 241 . 1 1 33 33 THR HA H 1 4.307 . . 1 . . . . . . . . 321 1 242 . 1 1 33 33 THR HB H 1 4.185 . . 1 . . . . . . . . 321 1 243 . 1 1 33 33 THR HG21 H 1 1.182 . . 1 . . . . . . . . 321 1 244 . 1 1 33 33 THR HG22 H 1 1.182 . . 1 . . . . . . . . 321 1 245 . 1 1 33 33 THR HG23 H 1 1.182 . . 1 . . . . . . . . 321 1 246 . 1 1 34 34 ALA H H 1 8.23 . . 1 . . . . . . . . 321 1 247 . 1 1 34 34 ALA HA H 1 4.291 . . 1 . . . . . . . . 321 1 248 . 1 1 34 34 ALA HB1 H 1 1.337 . . 1 . . . . . . . . 321 1 249 . 1 1 34 34 ALA HB2 H 1 1.337 . . 1 . . . . . . . . 321 1 250 . 1 1 34 34 ALA HB3 H 1 1.337 . . 1 . . . . . . . . 321 1 stop_ save_