################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5157 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 5157 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 ASP HA H 1 4.176 0.01 . 1 . . . . . . . . 5157 1 2 . 1 1 1 1 ASP HB2 H 1 2.854 0.01 . 2 . . . . . . . . 5157 1 3 . 1 1 1 1 ASP HB3 H 1 3.024 0.01 . 2 . . . . . . . . 5157 1 4 . 1 1 2 2 VAL H H 1 8.455 0.01 . 1 . . . . . . . . 5157 1 5 . 1 1 2 2 VAL HA H 1 3.912 0.01 . 1 . . . . . . . . 5157 1 6 . 1 1 2 2 VAL HB H 1 2.049 0.01 . 1 . . . . . . . . 5157 1 7 . 1 1 2 2 VAL HG11 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 8 . 1 1 2 2 VAL HG12 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 9 . 1 1 2 2 VAL HG13 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 10 . 1 1 2 2 VAL HG21 H 1 1.019 0.01 . 1 . . . . . . . . 5157 1 11 . 1 1 2 2 VAL HG22 H 1 1.019 0.01 . 1 . . . . . . . . 5157 1 12 . 1 1 2 2 VAL HG23 H 1 1.019 0.01 . 1 . . . . . . . . 5157 1 13 . 1 1 3 3 ALA H H 1 8.242 0.01 . 1 . . . . . . . . 5157 1 14 . 1 1 3 3 ALA HA H 1 4.244 0.01 . 1 . . . . . . . . 5157 1 15 . 1 1 3 3 ALA HB1 H 1 1.430 0.01 . 1 . . . . . . . . 5157 1 16 . 1 1 3 3 ALA HB2 H 1 1.430 0.01 . 1 . . . . . . . . 5157 1 17 . 1 1 3 3 ALA HB3 H 1 1.430 0.01 . 1 . . . . . . . . 5157 1 18 . 1 1 4 4 SER H H 1 8.678 0.01 . 1 . . . . . . . . 5157 1 19 . 1 1 4 4 SER HA H 1 4.236 0.01 . 1 . . . . . . . . 5157 1 20 . 1 1 4 4 SER HB2 H 1 3.897 0.01 . 2 . . . . . . . . 5157 1 21 . 1 1 4 4 SER HB3 H 1 4.000 0.01 . 2 . . . . . . . . 5157 1 22 . 1 1 5 5 ASP H H 1 8.456 0.01 . 1 . . . . . . . . 5157 1 23 . 1 1 5 5 ASP HA H 1 4.489 0.01 . 1 . . . . . . . . 5157 1 24 . 1 1 5 5 ASP HB3 H 1 2.673 0.01 . 1 . . . . . . . . 5157 1 25 . 1 1 5 5 ASP HB2 H 1 2.795 0.01 . 1 . . . . . . . . 5157 1 26 . 1 1 6 6 ALA H H 1 8.243 0.01 . 1 . . . . . . . . 5157 1 27 . 1 1 6 6 ALA HA H 1 4.219 0.01 . 1 . . . . . . . . 5157 1 28 . 1 1 6 6 ALA HB1 H 1 1.483 0.01 . 1 . . . . . . . . 5157 1 29 . 1 1 6 6 ALA HB2 H 1 1.483 0.01 . 1 . . . . . . . . 5157 1 30 . 1 1 6 6 ALA HB3 H 1 1.483 0.01 . 1 . . . . . . . . 5157 1 31 . 1 1 7 7 LYS H H 1 8.059 0.01 . 1 . . . . . . . . 5157 1 32 . 1 1 7 7 LYS HA H 1 4.130 0.01 . 1 . . . . . . . . 5157 1 33 . 1 1 7 7 LYS HB2 H 1 1.886 0.01 . 2 . . . . . . . . 5157 1 34 . 1 1 7 7 LYS HB3 H 1 1.922 0.01 . 2 . . . . . . . . 5157 1 35 . 1 1 7 7 LYS HG2 H 1 1.363 0.01 . 2 . . . . . . . . 5157 1 36 . 1 1 7 7 LYS HG3 H 1 1.491 0.01 . 2 . . . . . . . . 5157 1 37 . 1 1 8 8 ALA H H 1 8.037 0.01 . 1 . . . . . . . . 5157 1 38 . 1 1 8 8 ALA HA H 1 4.192 0.01 . 1 . . . . . . . . 5157 1 39 . 1 1 8 8 ALA HB1 H 1 1.496 0.01 . 1 . . . . . . . . 5157 1 40 . 1 1 8 8 ALA HB2 H 1 1.496 0.01 . 1 . . . . . . . . 5157 1 41 . 1 1 8 8 ALA HB3 H 1 1.496 0.01 . 1 . . . . . . . . 5157 1 42 . 1 1 9 9 ALA H H 1 8.146 0.01 . 1 . . . . . . . . 5157 1 43 . 1 1 9 9 ALA HA H 1 4.173 0.01 . 1 . . . . . . . . 5157 1 44 . 1 1 9 9 ALA HB1 H 1 1.481 0.01 . 1 . . . . . . . . 5157 1 45 . 1 1 9 9 ALA HB2 H 1 1.481 0.01 . 1 . . . . . . . . 5157 1 46 . 1 1 9 9 ALA HB3 H 1 1.481 0.01 . 1 . . . . . . . . 5157 1 47 . 1 1 10 10 ALA H H 1 8.006 0.01 . 1 . . . . . . . . 5157 1 48 . 1 1 10 10 ALA HA H 1 4.180 0.01 . 1 . . . . . . . . 5157 1 49 . 1 1 10 10 ALA HB1 H 1 1.520 0.01 . 1 . . . . . . . . 5157 1 50 . 1 1 10 10 ALA HB2 H 1 1.520 0.01 . 1 . . . . . . . . 5157 1 51 . 1 1 10 10 ALA HB3 H 1 1.520 0.01 . 1 . . . . . . . . 5157 1 52 . 1 1 11 11 GLU H H 1 8.302 0.01 . 1 . . . . . . . . 5157 1 53 . 1 1 11 11 GLU HA H 1 4.074 0.01 . 1 . . . . . . . . 5157 1 54 . 1 1 11 11 GLU HB3 H 1 2.028 0.01 . 1 . . . . . . . . 5157 1 55 . 1 1 11 11 GLU HB2 H 1 2.164 0.01 . 1 . . . . . . . . 5157 1 56 . 1 1 11 11 GLU HG2 H 1 2.267 0.01 . 2 . . . . . . . . 5157 1 57 . 1 1 11 11 GLU HG3 H 1 2.500 0.01 . 2 . . . . . . . . 5157 1 58 . 1 1 12 12 LEU H H 1 7.823 0.01 . 1 . . . . . . . . 5157 1 59 . 1 1 12 12 LEU HA H 1 4.263 0.01 . 1 . . . . . . . . 5157 1 60 . 1 1 12 12 LEU HB2 H 1 1.704 0.01 . 1 . . . . . . . . 5157 1 61 . 1 1 12 12 LEU HB3 H 1 1.842 0.01 . 1 . . . . . . . . 5157 1 62 . 1 1 12 12 LEU HG H 1 1.655 0.01 . 1 . . . . . . . . 5157 1 63 . 1 1 12 12 LEU HD11 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 64 . 1 1 12 12 LEU HD12 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 65 . 1 1 12 12 LEU HD13 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 66 . 1 1 12 12 LEU HD21 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 67 . 1 1 12 12 LEU HD22 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 68 . 1 1 12 12 LEU HD23 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 69 . 1 1 13 13 VAL H H 1 7.750 0.01 . 1 . . . . . . . . 5157 1 70 . 1 1 13 13 VAL HA H 1 3.703 0.01 . 1 . . . . . . . . 5157 1 71 . 1 1 13 13 VAL HB H 1 2.142 0.01 . 1 . . . . . . . . 5157 1 72 . 1 1 13 13 VAL HG11 H 1 0.958 0.01 . 1 . . . . . . . . 5157 1 73 . 1 1 13 13 VAL HG12 H 1 0.958 0.01 . 1 . . . . . . . . 5157 1 74 . 1 1 13 13 VAL HG13 H 1 0.958 0.01 . 1 . . . . . . . . 5157 1 75 . 1 1 13 13 VAL HG21 H 1 1.087 0.01 . 1 . . . . . . . . 5157 1 76 . 1 1 13 13 VAL HG22 H 1 1.087 0.01 . 1 . . . . . . . . 5157 1 77 . 1 1 13 13 VAL HG23 H 1 1.087 0.01 . 1 . . . . . . . . 5157 1 78 . 1 1 14 14 ALA H H 1 7.907 0.01 . 1 . . . . . . . . 5157 1 79 . 1 1 14 14 ALA HA H 1 4.215 0.01 . 1 . . . . . . . . 5157 1 80 . 1 1 14 14 ALA HB1 H 1 1.476 0.01 . 1 . . . . . . . . 5157 1 81 . 1 1 14 14 ALA HB2 H 1 1.476 0.01 . 1 . . . . . . . . 5157 1 82 . 1 1 14 14 ALA HB3 H 1 1.476 0.01 . 1 . . . . . . . . 5157 1 83 . 1 1 15 15 ALA H H 1 8.402 0.01 . 1 . . . . . . . . 5157 1 84 . 1 1 15 15 ALA HA H 1 4.175 0.01 . 1 . . . . . . . . 5157 1 85 . 1 1 15 15 ALA HB1 H 1 1.522 0.01 . 1 . . . . . . . . 5157 1 86 . 1 1 15 15 ALA HB2 H 1 1.522 0.01 . 1 . . . . . . . . 5157 1 87 . 1 1 15 15 ALA HB3 H 1 1.522 0.01 . 1 . . . . . . . . 5157 1 88 . 1 1 16 16 ASN H H 1 8.618 0.01 . 1 . . . . . . . . 5157 1 89 . 1 1 16 16 ASN HA H 1 4.547 0.01 . 1 . . . . . . . . 5157 1 90 . 1 1 16 16 ASN HB3 H 1 2.804 0.01 . 1 . . . . . . . . 5157 1 91 . 1 1 16 16 ASN HB2 H 1 2.917 0.01 . 1 . . . . . . . . 5157 1 92 . 1 1 16 16 ASN HD22 H 1 6.877 0.01 . 1 . . . . . . . . 5157 1 93 . 1 1 16 16 ASN HD21 H 1 7.684 0.01 . 1 . . . . . . . . 5157 1 94 . 1 1 17 17 ALA H H 1 8.199 0.01 . 1 . . . . . . . . 5157 1 95 . 1 1 17 17 ALA HA H 1 4.236 0.01 . 1 . . . . . . . . 5157 1 96 . 1 1 17 17 ALA HB1 H 1 1.498 0.01 . 1 . . . . . . . . 5157 1 97 . 1 1 17 17 ALA HB2 H 1 1.498 0.01 . 1 . . . . . . . . 5157 1 98 . 1 1 17 17 ALA HB3 H 1 1.498 0.01 . 1 . . . . . . . . 5157 1 99 . 1 1 18 18 LYS H H 1 8.086 0.01 . 1 . . . . . . . . 5157 1 100 . 1 1 18 18 LYS HA H 1 4.136 0.01 . 1 . . . . . . . . 5157 1 101 . 1 1 18 18 LYS HB2 H 1 1.894 0.01 . 2 . . . . . . . . 5157 1 102 . 1 1 18 18 LYS HB3 H 1 1.919 0.01 . 2 . . . . . . . . 5157 1 103 . 1 1 18 18 LYS HG2 H 1 1.368 0.01 . 2 . . . . . . . . 5157 1 104 . 1 1 18 18 LYS HG3 H 1 1.498 0.01 . 2 . . . . . . . . 5157 1 105 . 1 1 19 19 ALA H H 1 7.994 0.01 . 1 . . . . . . . . 5157 1 106 . 1 1 19 19 ALA HA H 1 4.199 0.01 . 1 . . . . . . . . 5157 1 107 . 1 1 19 19 ALA HB1 H 1 1.489 0.01 . 1 . . . . . . . . 5157 1 108 . 1 1 19 19 ALA HB2 H 1 1.489 0.01 . 1 . . . . . . . . 5157 1 109 . 1 1 19 19 ALA HB3 H 1 1.489 0.01 . 1 . . . . . . . . 5157 1 110 . 1 1 20 20 ALA H H 1 8.144 0.01 . 1 . . . . . . . . 5157 1 111 . 1 1 20 20 ALA HA H 1 4.180 0.01 . 1 . . . . . . . . 5157 1 112 . 1 1 20 20 ALA HB1 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 113 . 1 1 20 20 ALA HB2 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 114 . 1 1 20 20 ALA HB3 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 115 . 1 1 21 21 ALA H H 1 7.981 0.01 . 1 . . . . . . . . 5157 1 116 . 1 1 21 21 ALA HA H 1 4.180 0.01 . 1 . . . . . . . . 5157 1 117 . 1 1 21 21 ALA HB1 H 1 1.525 0.01 . 1 . . . . . . . . 5157 1 118 . 1 1 21 21 ALA HB2 H 1 1.525 0.01 . 1 . . . . . . . . 5157 1 119 . 1 1 21 21 ALA HB3 H 1 1.525 0.01 . 1 . . . . . . . . 5157 1 120 . 1 1 22 22 GLU H H 1 8.303 0.01 . 1 . . . . . . . . 5157 1 121 . 1 1 22 22 GLU HA H 1 4.079 0.01 . 1 . . . . . . . . 5157 1 122 . 1 1 22 22 GLU HB3 H 1 2.023 0.01 . 1 . . . . . . . . 5157 1 123 . 1 1 22 22 GLU HB2 H 1 2.169 0.01 . 1 . . . . . . . . 5157 1 124 . 1 1 22 22 GLU HG2 H 1 2.257 0.01 . 2 . . . . . . . . 5157 1 125 . 1 1 22 22 GLU HG3 H 1 2.511 0.01 . 2 . . . . . . . . 5157 1 126 . 1 1 23 23 LEU H H 1 7.817 0.01 . 1 . . . . . . . . 5157 1 127 . 1 1 23 23 LEU HA H 1 4.265 0.01 . 1 . . . . . . . . 5157 1 128 . 1 1 23 23 LEU HB2 H 1 1.703 0.01 . 1 . . . . . . . . 5157 1 129 . 1 1 23 23 LEU HB3 H 1 1.841 0.01 . 1 . . . . . . . . 5157 1 130 . 1 1 23 23 LEU HG H 1 1.654 0.01 . 1 . . . . . . . . 5157 1 131 . 1 1 23 23 LEU HD11 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 132 . 1 1 23 23 LEU HD12 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 133 . 1 1 23 23 LEU HD13 H 1 0.895 0.01 . 1 . . . . . . . . 5157 1 134 . 1 1 23 23 LEU HD21 H 1 0.929 0.01 . 1 . . . . . . . . 5157 1 135 . 1 1 23 23 LEU HD22 H 1 0.929 0.01 . 1 . . . . . . . . 5157 1 136 . 1 1 23 23 LEU HD23 H 1 0.929 0.01 . 1 . . . . . . . . 5157 1 137 . 1 1 24 24 VAL H H 1 7.753 0.01 . 1 . . . . . . . . 5157 1 138 . 1 1 24 24 VAL HA H 1 3.697 0.01 . 1 . . . . . . . . 5157 1 139 . 1 1 24 24 VAL HB H 1 2.144 0.01 . 1 . . . . . . . . 5157 1 140 . 1 1 24 24 VAL HG11 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 141 . 1 1 24 24 VAL HG12 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 142 . 1 1 24 24 VAL HG13 H 1 0.960 0.01 . 1 . . . . . . . . 5157 1 143 . 1 1 24 24 VAL HG21 H 1 1.088 0.01 . 1 . . . . . . . . 5157 1 144 . 1 1 24 24 VAL HG22 H 1 1.088 0.01 . 1 . . . . . . . . 5157 1 145 . 1 1 24 24 VAL HG23 H 1 1.088 0.01 . 1 . . . . . . . . 5157 1 146 . 1 1 25 25 ALA H H 1 7.912 0.01 . 1 . . . . . . . . 5157 1 147 . 1 1 25 25 ALA HA H 1 4.218 0.01 . 1 . . . . . . . . 5157 1 148 . 1 1 25 25 ALA HB1 H 1 1.478 0.01 . 1 . . . . . . . . 5157 1 149 . 1 1 25 25 ALA HB2 H 1 1.478 0.01 . 1 . . . . . . . . 5157 1 150 . 1 1 25 25 ALA HB3 H 1 1.478 0.01 . 1 . . . . . . . . 5157 1 151 . 1 1 26 26 ALA H H 1 8.431 0.01 . 1 . . . . . . . . 5157 1 152 . 1 1 26 26 ALA HA H 1 4.181 0.01 . 1 . . . . . . . . 5157 1 153 . 1 1 26 26 ALA HB1 H 1 1.529 0.01 . 1 . . . . . . . . 5157 1 154 . 1 1 26 26 ALA HB2 H 1 1.529 0.01 . 1 . . . . . . . . 5157 1 155 . 1 1 26 26 ALA HB3 H 1 1.529 0.01 . 1 . . . . . . . . 5157 1 156 . 1 1 27 27 ASN H H 1 8.666 0.01 . 1 . . . . . . . . 5157 1 157 . 1 1 27 27 ASN HA H 1 4.551 0.01 . 1 . . . . . . . . 5157 1 158 . 1 1 27 27 ASN HB3 H 1 2.793 0.01 . 1 . . . . . . . . 5157 1 159 . 1 1 27 27 ASN HB2 H 1 2.937 0.01 . 1 . . . . . . . . 5157 1 160 . 1 1 27 27 ASN HD22 H 1 6.873 0.01 . 1 . . . . . . . . 5157 1 161 . 1 1 27 27 ASN HD21 H 1 7.686 0.01 . 1 . . . . . . . . 5157 1 162 . 1 1 28 28 ALA H H 1 8.237 0.01 . 1 . . . . . . . . 5157 1 163 . 1 1 28 28 ALA HA H 1 4.245 0.01 . 1 . . . . . . . . 5157 1 164 . 1 1 28 28 ALA HB1 H 1 1.512 0.01 . 1 . . . . . . . . 5157 1 165 . 1 1 28 28 ALA HB2 H 1 1.512 0.01 . 1 . . . . . . . . 5157 1 166 . 1 1 28 28 ALA HB3 H 1 1.512 0.01 . 1 . . . . . . . . 5157 1 167 . 1 1 29 29 LYS H H 1 8.119 0.01 . 1 . . . . . . . . 5157 1 168 . 1 1 29 29 LYS HA H 1 4.138 0.01 . 1 . . . . . . . . 5157 1 169 . 1 1 29 29 LYS HB2 H 1 1.906 0.01 . 2 . . . . . . . . 5157 1 170 . 1 1 29 29 LYS HB3 H 1 1.944 0.01 . 2 . . . . . . . . 5157 1 171 . 1 1 29 29 LYS HG2 H 1 1.365 0.01 . 2 . . . . . . . . 5157 1 172 . 1 1 29 29 LYS HG3 H 1 1.488 0.01 . 2 . . . . . . . . 5157 1 173 . 1 1 30 30 ALA H H 1 7.995 0.01 . 1 . . . . . . . . 5157 1 174 . 1 1 30 30 ALA HA H 1 4.194 0.01 . 1 . . . . . . . . 5157 1 175 . 1 1 30 30 ALA HB1 H 1 1.507 0.01 . 1 . . . . . . . . 5157 1 176 . 1 1 30 30 ALA HB2 H 1 1.507 0.01 . 1 . . . . . . . . 5157 1 177 . 1 1 30 30 ALA HB3 H 1 1.507 0.01 . 1 . . . . . . . . 5157 1 178 . 1 1 31 31 ALA H H 1 8.131 0.01 . 1 . . . . . . . . 5157 1 179 . 1 1 31 31 ALA HA H 1 4.184 0.01 . 1 . . . . . . . . 5157 1 180 . 1 1 31 31 ALA HB1 H 1 1.467 0.01 . 1 . . . . . . . . 5157 1 181 . 1 1 31 31 ALA HB2 H 1 1.467 0.01 . 1 . . . . . . . . 5157 1 182 . 1 1 31 31 ALA HB3 H 1 1.467 0.01 . 1 . . . . . . . . 5157 1 183 . 1 1 32 32 ALA H H 1 7.941 0.01 . 1 . . . . . . . . 5157 1 184 . 1 1 32 32 ALA HA H 1 4.183 0.01 . 1 . . . . . . . . 5157 1 185 . 1 1 32 32 ALA HB1 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 186 . 1 1 32 32 ALA HB2 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 187 . 1 1 32 32 ALA HB3 H 1 1.495 0.01 . 1 . . . . . . . . 5157 1 188 . 1 1 33 33 GLU H H 1 8.204 0.01 . 1 . . . . . . . . 5157 1 189 . 1 1 33 33 GLU HA H 1 4.075 0.01 . 1 . . . . . . . . 5157 1 190 . 1 1 33 33 GLU HB3 H 1 2.007 0.01 . 1 . . . . . . . . 5157 1 191 . 1 1 33 33 GLU HB2 H 1 2.088 0.01 . 1 . . . . . . . . 5157 1 192 . 1 1 33 33 GLU HG2 H 1 2.240 0.01 . 2 . . . . . . . . 5157 1 193 . 1 1 33 33 GLU HG3 H 1 2.458 0.01 . 2 . . . . . . . . 5157 1 194 . 1 1 34 34 ALA H H 1 7.861 0.01 . 1 . . . . . . . . 5157 1 195 . 1 1 34 34 ALA HA H 1 4.147 0.01 . 1 . . . . . . . . 5157 1 196 . 1 1 34 34 ALA HB1 H 1 1.469 0.01 . 1 . . . . . . . . 5157 1 197 . 1 1 34 34 ALA HB2 H 1 1.469 0.01 . 1 . . . . . . . . 5157 1 198 . 1 1 34 34 ALA HB3 H 1 1.469 0.01 . 1 . . . . . . . . 5157 1 199 . 1 1 35 35 VAL H H 1 7.756 0.01 . 1 . . . . . . . . 5157 1 200 . 1 1 35 35 VAL HA H 1 3.821 0.01 . 1 . . . . . . . . 5157 1 201 . 1 1 35 35 VAL HB H 1 2.104 0.01 . 1 . . . . . . . . 5157 1 202 . 1 1 35 35 VAL HG11 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 203 . 1 1 35 35 VAL HG12 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 204 . 1 1 35 35 VAL HG13 H 1 0.928 0.01 . 1 . . . . . . . . 5157 1 205 . 1 1 35 35 VAL HG21 H 1 1.031 0.01 . 1 . . . . . . . . 5157 1 206 . 1 1 35 35 VAL HG22 H 1 1.031 0.01 . 1 . . . . . . . . 5157 1 207 . 1 1 35 35 VAL HG23 H 1 1.031 0.01 . 1 . . . . . . . . 5157 1 208 . 1 1 36 36 ALA H H 1 7.925 0.01 . 1 . . . . . . . . 5157 1 209 . 1 1 36 36 ALA HA H 1 4.180 0.01 . 1 . . . . . . . . 5157 1 210 . 1 1 36 36 ALA HB1 H 1 1.434 0.01 . 1 . . . . . . . . 5157 1 211 . 1 1 36 36 ALA HB2 H 1 1.434 0.01 . 1 . . . . . . . . 5157 1 212 . 1 1 36 36 ALA HB3 H 1 1.434 0.01 . 1 . . . . . . . . 5157 1 213 . 1 1 37 37 AAR H H 1 7.896 0.01 . 1 . . . . . . . . 5157 1 214 . 1 1 37 37 AAR HA H 1 4.179 0.01 . 1 . . . . . . . . 5157 1 215 . 1 1 37 37 AAR HB2 H 1 1.840 0.01 . 1 . . . . . . . . 5157 1 216 . 1 1 37 37 AAR HB3 H 1 1.870 0.01 . 1 . . . . . . . . 5157 1 217 . 1 1 37 37 AAR HG2 H 1 1.649 0.01 . 2 . . . . . . . . 5157 1 218 . 1 1 37 37 AAR HG3 H 1 1.744 0.01 . 2 . . . . . . . . 5157 1 219 . 1 1 37 37 AAR HD2 H 1 3.168 0.01 . 2 . . . . . . . . 5157 1 220 . 1 1 37 37 AAR HD3 H 1 3.205 0.01 . 2 . . . . . . . . 5157 1 221 . 1 1 37 37 AAR HE H 1 7.242 0.01 . 1 . . . . . . . . 5157 1 222 . 1 1 37 37 AAR HT1 H 1 7.467 0.01 . 1 . . . . . . . . 5157 1 223 . 1 1 37 37 AAR HT2 H 1 7.406 0.01 . 1 . . . . . . . . 5157 1 stop_ save_