################################### # 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 11072 _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 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11072 1 5 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 11072 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 PRO HA H 1 4.48 0.02 . 1 . . . . 1 PRO HA . 11072 1 2 . 1 1 1 1 PRO HB2 H 1 2.06 0.02 . 1 . . . . 1 PRO HB2 . 11072 1 3 . 1 1 1 1 PRO HB3 H 1 2.51 0.02 . 1 . . . . 1 PRO HB3 . 11072 1 4 . 1 1 1 1 PRO HD2 H 1 3.45 0.02 . 1 . . . . 1 PRO HD2 . 11072 1 5 . 1 1 1 1 PRO HD3 H 1 3.45 0.02 . 1 . . . . 1 PRO HD3 . 11072 1 6 . 1 1 1 1 PRO HG2 H 1 1.97 0.02 . 1 . . . . 1 PRO HG2 . 11072 1 7 . 1 1 1 1 PRO HG3 H 1 2.06 0.02 . 1 . . . . 1 PRO HG3 . 11072 1 8 . 1 1 2 2 ALA H H 1 8.53 0.02 . 1 . . . . 2 ALA H . 11072 1 9 . 1 1 2 2 ALA HA H 1 4.40 0.02 . 1 . . . . 2 ALA HA . 11072 1 10 . 1 1 2 2 ALA HB1 H 1 1.36 0.02 . 1 . . . . 2 ALA HB . 11072 1 11 . 1 1 2 2 ALA HB2 H 1 1.36 0.02 . 1 . . . . 2 ALA HB . 11072 1 12 . 1 1 2 2 ALA HB3 H 1 1.36 0.02 . 1 . . . . 2 ALA HB . 11072 1 13 . 1 1 3 3 ILE H H 1 7.66 0.02 . 1 . . . . 3 ILE H . 11072 1 14 . 1 1 3 3 ILE HA H 1 4.16 0.02 . 1 . . . . 3 ILE HA . 11072 1 15 . 1 1 3 3 ILE HB H 1 1.82 0.02 . 1 . . . . 3 ILE HB . 11072 1 16 . 1 1 3 3 ILE HD11 H 1 0.86 0.02 . 1 . . . . 3 ILE HD1 . 11072 1 17 . 1 1 3 3 ILE HD12 H 1 0.86 0.02 . 1 . . . . 3 ILE HD1 . 11072 1 18 . 1 1 3 3 ILE HD13 H 1 0.86 0.02 . 1 . . . . 3 ILE HD1 . 11072 1 19 . 1 1 3 3 ILE HG12 H 1 1.12 0.02 . 1 . . . . 3 ILE HG12 . 11072 1 20 . 1 1 3 3 ILE HG13 H 1 1.43 0.02 . 1 . . . . 3 ILE HG13 . 11072 1 21 . 1 1 3 3 ILE HG21 H 1 0.86 0.02 . 1 . . . . 3 ILE HG2 . 11072 1 22 . 1 1 3 3 ILE HG22 H 1 0.86 0.02 . 1 . . . . 3 ILE HG2 . 11072 1 23 . 1 1 3 3 ILE HG23 H 1 0.86 0.02 . 1 . . . . 3 ILE HG2 . 11072 1 24 . 1 1 4 4 TYR H H 1 7.95 0.02 . 1 . . . . 4 TYR H . 11072 1 25 . 1 1 4 4 TYR HA H 1 4.65 0.02 . 1 . . . . 4 TYR HA . 11072 1 26 . 1 1 4 4 TYR HB2 H 1 2.97 0.02 . 1 . . . . 4 TYR HB2 . 11072 1 27 . 1 1 4 4 TYR HB3 H 1 3.04 0.02 . 1 . . . . 4 TYR HB3 . 11072 1 28 . 1 1 4 4 TYR HD1 H 1 7.13 0.02 . 1 . . . . 4 TYR HD1 . 11072 1 29 . 1 1 4 4 TYR HD2 H 1 7.13 0.02 . 1 . . . . 4 TYR HD2 . 11072 1 30 . 1 1 4 4 TYR HE1 H 1 6.81 0.02 . 1 . . . . 4 TYR HE1 . 11072 1 31 . 1 1 4 4 TYR HE2 H 1 6.81 0.02 . 1 . . . . 4 TYR HE2 . 11072 1 32 . 1 1 5 5 ILE H H 1 7.86 0.02 . 1 . . . . 5 ILE H . 11072 1 33 . 1 1 5 5 ILE HA H 1 4.10 0.02 . 1 . . . . 5 ILE HA . 11072 1 34 . 1 1 5 5 ILE HB H 1 1.92 0.02 . 1 . . . . 5 ILE HB . 11072 1 35 . 1 1 5 5 ILE HD11 H 1 0.90 0.02 . 1 . . . . 5 ILE HD1 . 11072 1 36 . 1 1 5 5 ILE HD12 H 1 0.90 0.02 . 1 . . . . 5 ILE HD1 . 11072 1 37 . 1 1 5 5 ILE HD13 H 1 0.90 0.02 . 1 . . . . 5 ILE HD1 . 11072 1 38 . 1 1 5 5 ILE HG12 H 1 1.18 0.02 . 1 . . . . 5 ILE HG12 . 11072 1 39 . 1 1 5 5 ILE HG13 H 1 1.48 0.02 . 1 . . . . 5 ILE HG13 . 11072 1 40 . 1 1 5 5 ILE HG21 H 1 0.91 0.02 . 1 . . . . 5 ILE HG2 . 11072 1 41 . 1 1 5 5 ILE HG22 H 1 0.91 0.02 . 1 . . . . 5 ILE HG2 . 11072 1 42 . 1 1 5 5 ILE HG23 H 1 0.91 0.02 . 1 . . . . 5 ILE HG2 . 11072 1 43 . 1 1 6 6 GLY H H 1 7.94 0.02 . 1 . . . . 6 GLY H . 11072 1 44 . 1 1 6 6 GLY HA2 H 1 3.82 0.02 . 1 . . . . 6 GLY HA2 . 11072 1 45 . 1 1 6 6 GLY HA3 H 1 3.91 0.02 . 1 . . . . 6 GLY HA3 . 11072 1 46 . 1 1 7 7 ALA H H 1 7.81 0.02 . 1 . . . . 7 ALA H . 11072 1 47 . 1 1 7 7 ALA HA H 1 4.35 0.02 . 1 . . . . 7 ALA HA . 11072 1 48 . 1 1 7 7 ALA HB1 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 11072 1 49 . 1 1 7 7 ALA HB2 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 11072 1 50 . 1 1 7 7 ALA HB3 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 11072 1 51 . 1 1 8 8 THR H H 1 8.03 0.02 . 1 . . . . 8 THR H . 11072 1 52 . 1 1 8 8 THR HA H 1 4.40 0.02 . 1 . . . . 8 THR HA . 11072 1 53 . 1 1 8 8 THR HB H 1 4.30 0.02 . 1 . . . . 8 THR HB . 11072 1 54 . 1 1 8 8 THR HG21 H 1 1.24 0.02 . 1 . . . . 8 THR HG2 . 11072 1 55 . 1 1 8 8 THR HG22 H 1 1.24 0.02 . 1 . . . . 8 THR HG2 . 11072 1 56 . 1 1 8 8 THR HG23 H 1 1.24 0.02 . 1 . . . . 8 THR HG2 . 11072 1 57 . 1 1 9 9 VAL H H 1 7.99 0.02 . 1 . . . . 9 VAL H . 11072 1 58 . 1 1 9 9 VAL HA H 1 4.14 0.02 . 1 . . . . 9 VAL HA . 11072 1 59 . 1 1 9 9 VAL HB H 1 2.21 0.02 . 1 . . . . 9 VAL HB . 11072 1 60 . 1 1 9 9 VAL HG11 H 1 0.97 0.02 . 1 . . . . 9 VAL HG1 . 11072 1 61 . 1 1 9 9 VAL HG12 H 1 0.97 0.02 . 1 . . . . 9 VAL HG1 . 11072 1 62 . 1 1 9 9 VAL HG13 H 1 0.97 0.02 . 1 . . . . 9 VAL HG1 . 11072 1 63 . 1 1 9 9 VAL HG21 H 1 0.99 0.02 . 1 . . . . 9 VAL HG2 . 11072 1 64 . 1 1 9 9 VAL HG22 H 1 0.99 0.02 . 1 . . . . 9 VAL HG2 . 11072 1 65 . 1 1 9 9 VAL HG23 H 1 0.99 0.02 . 1 . . . . 9 VAL HG2 . 11072 1 66 . 1 1 10 10 GLY H H 1 8.34 0.02 . 1 . . . . 10 GLY H . 11072 1 67 . 1 1 10 10 GLY HA2 H 1 3.90 0.02 . 1 . . . . 10 GLY HA2 . 11072 1 68 . 1 1 10 10 GLY HA3 H 1 4.15 0.02 . 1 . . . . 10 GLY HA3 . 11072 1 69 . 1 1 11 11 PRO HA H 1 4.43 0.02 . 1 . . . . 11 PRO HA . 11072 1 70 . 1 1 11 11 PRO HB2 H 1 2.50 0.02 . 1 . . . . 11 PRO HB2 . 11072 1 71 . 1 1 11 11 PRO HB3 H 1 2.01 0.02 . 1 . . . . 11 PRO HB3 . 11072 1 72 . 1 1 11 11 PRO HD2 H 1 3.68 0.02 . 1 . . . . 11 PRO HD2 . 11072 1 73 . 1 1 11 11 PRO HD3 H 1 3.68 0.02 . 1 . . . . 11 PRO HD3 . 11072 1 74 . 1 1 11 11 PRO HG2 H 1 2.16 0.02 . 1 . . . . 11 PRO HG2 . 11072 1 75 . 1 1 11 11 PRO HG3 H 1 2.16 0.02 . 1 . . . . 11 PRO HG3 . 11072 1 76 . 1 1 12 12 SER H H 1 7.93 0.02 . 1 . . . . 12 SER H . 11072 1 77 . 1 1 12 12 SER HA H 1 4.44 0.02 . 1 . . . . 12 SER HA . 11072 1 78 . 1 1 12 12 SER HB2 H 1 4.11 0.02 . 1 . . . . 12 SER HB2 . 11072 1 79 . 1 1 12 12 SER HB3 H 1 3.97 0.02 . 1 . . . . 12 SER HB3 . 11072 1 80 . 1 1 13 13 VAL H H 1 8.18 0.02 . 1 . . . . 13 VAL H . 11072 1 81 . 1 1 13 13 VAL HA H 1 3.77 0.02 . 1 . . . . 13 VAL HA . 11072 1 82 . 1 1 13 13 VAL HB H 1 2.28 0.02 . 1 . . . . 13 VAL HB . 11072 1 83 . 1 1 13 13 VAL HG11 H 1 1.01 0.02 . 1 . . . . 13 VAL HG1 . 11072 1 84 . 1 1 13 13 VAL HG12 H 1 1.01 0.02 . 1 . . . . 13 VAL HG1 . 11072 1 85 . 1 1 13 13 VAL HG13 H 1 1.01 0.02 . 1 . . . . 13 VAL HG1 . 11072 1 86 . 1 1 13 13 VAL HG21 H 1 1.06 0.02 . 1 . . . . 13 VAL HG2 . 11072 1 87 . 1 1 13 13 VAL HG22 H 1 1.06 0.02 . 1 . . . . 13 VAL HG2 . 11072 1 88 . 1 1 13 13 VAL HG23 H 1 1.06 0.02 . 1 . . . . 13 VAL HG2 . 11072 1 89 . 1 1 14 14 TRP H H 1 8.37 0.02 . 1 . . . . 14 TRP H . 11072 1 90 . 1 1 14 14 TRP HA H 1 4.53 0.02 . 1 . . . . 14 TRP HA . 11072 1 91 . 1 1 14 14 TRP HB2 H 1 3.34 0.02 . 1 . . . . 14 TRP HB2 . 11072 1 92 . 1 1 14 14 TRP HB3 H 1 3.34 0.02 . 1 . . . . 14 TRP HB3 . 11072 1 93 . 1 1 14 14 TRP HD1 H 1 7.20 0.02 . 1 . . . . 14 TRP HD1 . 11072 1 94 . 1 1 14 14 TRP HE3 H 1 7.42 0.02 . 1 . . . . 14 TRP HE3 . 11072 1 95 . 1 1 14 14 TRP HH2 H 1 7.03 0.02 . 1 . . . . 14 TRP HH2 . 11072 1 96 . 1 1 14 14 TRP HZ2 H 1 7.38 0.02 . 1 . . . . 14 TRP HZ2 . 11072 1 97 . 1 1 14 14 TRP HZ3 H 1 6.90 0.02 . 1 . . . . 14 TRP HZ3 . 11072 1 98 . 1 1 15 15 ALA H H 1 7.96 0.02 . 1 . . . . 15 ALA H . 11072 1 99 . 1 1 15 15 ALA HA H 1 3.95 0.02 . 1 . . . . 15 ALA HA . 11072 1 100 . 1 1 15 15 ALA HB1 H 1 1.52 0.02 . 1 . . . . 15 ALA HB . 11072 1 101 . 1 1 15 15 ALA HB2 H 1 1.52 0.02 . 1 . . . . 15 ALA HB . 11072 1 102 . 1 1 15 15 ALA HB3 H 1 1.52 0.02 . 1 . . . . 15 ALA HB . 11072 1 103 . 1 1 16 16 TYR H H 1 7.78 0.02 . 1 . . . . 16 TYR H . 11072 1 104 . 1 1 16 16 TYR HA H 1 4.18 0.02 . 1 . . . . 16 TYR HA . 11072 1 105 . 1 1 16 16 TYR HB2 H 1 3.23 0.02 . 1 . . . . 16 TYR HB2 . 11072 1 106 . 1 1 16 16 TYR HB3 H 1 3.20 0.02 . 1 . . . . 16 TYR HB3 . 11072 1 107 . 1 1 16 16 TYR HD1 H 1 7.05 0.02 . 1 . . . . 16 TYR HD1 . 11072 1 108 . 1 1 16 16 TYR HD2 H 1 7.05 0.02 . 1 . . . . 16 TYR HD2 . 11072 1 109 . 1 1 16 16 TYR HE1 H 1 6.77 0.02 . 1 . . . . 16 TYR HE1 . 11072 1 110 . 1 1 16 16 TYR HE2 H 1 6.77 0.02 . 1 . . . . 16 TYR HE2 . 11072 1 111 . 1 1 17 17 LEU H H 1 8.24 0.02 . 1 . . . . 17 LEU H . 11072 1 112 . 1 1 17 17 LEU HA H 1 3.96 0.02 . 1 . . . . 17 LEU HA . 11072 1 113 . 1 1 17 17 LEU HB2 H 1 1.93 0.02 . 1 . . . . 17 LEU HB2 . 11072 1 114 . 1 1 17 17 LEU HB3 H 1 1.87 0.02 . 1 . . . . 17 LEU HB3 . 11072 1 115 . 1 1 17 17 LEU HG H 1 1.41 0.02 . 1 . . . . 17 LEU HG . 11072 1 116 . 1 1 18 18 VAL H H 1 8.37 0.02 . 1 . . . . 18 VAL H . 11072 1 117 . 1 1 18 18 VAL HA H 1 3.29 0.02 . 1 . . . . 18 VAL HA . 11072 1 118 . 1 1 18 18 VAL HB H 1 1.77 0.02 . 1 . . . . 18 VAL HB . 11072 1 119 . 1 1 18 18 VAL HG11 H 1 0.73 0.02 . 1 . . . . 18 VAL HG1 . 11072 1 120 . 1 1 18 18 VAL HG12 H 1 0.73 0.02 . 1 . . . . 18 VAL HG1 . 11072 1 121 . 1 1 18 18 VAL HG13 H 1 0.73 0.02 . 1 . . . . 18 VAL HG1 . 11072 1 122 . 1 1 18 18 VAL HG21 H 1 0.42 0.02 . 1 . . . . 18 VAL HG2 . 11072 1 123 . 1 1 18 18 VAL HG22 H 1 0.42 0.02 . 1 . . . . 18 VAL HG2 . 11072 1 124 . 1 1 18 18 VAL HG23 H 1 0.42 0.02 . 1 . . . . 18 VAL HG2 . 11072 1 125 . 1 1 19 19 ALA H H 1 7.48 0.02 . 1 . . . . 19 ALA H . 11072 1 126 . 1 1 19 19 ALA HA H 1 4.09 0.02 . 1 . . . . 19 ALA HA . 11072 1 127 . 1 1 19 19 ALA HB1 H 1 1.42 0.02 . 1 . . . . 19 ALA HB . 11072 1 128 . 1 1 19 19 ALA HB2 H 1 1.42 0.02 . 1 . . . . 19 ALA HB . 11072 1 129 . 1 1 19 19 ALA HB3 H 1 1.42 0.02 . 1 . . . . 19 ALA HB . 11072 1 130 . 1 1 20 20 LEU H H 1 7.97 0.02 . 1 . . . . 20 LEU H . 11072 1 131 . 1 1 20 20 LEU HA H 1 4.03 0.02 . 1 . . . . 20 LEU HA . 11072 1 132 . 1 1 20 20 LEU HB2 H 1 1.68 0.02 . 1 . . . . 20 LEU HB2 . 11072 1 133 . 1 1 20 20 LEU HB3 H 1 1.68 0.02 . 1 . . . . 20 LEU HB3 . 11072 1 134 . 1 1 20 20 LEU HD11 H 1 0.88 0.02 . 1 . . . . 20 LEU HD1 . 11072 1 135 . 1 1 20 20 LEU HD12 H 1 0.88 0.02 . 1 . . . . 20 LEU HD1 . 11072 1 136 . 1 1 20 20 LEU HD13 H 1 0.88 0.02 . 1 . . . . 20 LEU HD1 . 11072 1 137 . 1 1 20 20 LEU HD21 H 1 0.86 0.02 . 1 . . . . 20 LEU HD2 . 11072 1 138 . 1 1 20 20 LEU HD22 H 1 0.86 0.02 . 1 . . . . 20 LEU HD2 . 11072 1 139 . 1 1 20 20 LEU HD23 H 1 0.86 0.02 . 1 . . . . 20 LEU HD2 . 11072 1 140 . 1 1 20 20 LEU HG H 1 1.60 0.02 . 1 . . . . 20 LEU HG . 11072 1 141 . 1 1 21 21 VAL H H 1 8.21 0.02 . 1 . . . . 21 VAL H . 11072 1 142 . 1 1 21 21 VAL HA H 1 3.68 0.02 . 1 . . . . 21 VAL HA . 11072 1 143 . 1 1 21 21 VAL HB H 1 2.12 0.02 . 1 . . . . 21 VAL HB . 11072 1 144 . 1 1 21 21 VAL HG11 H 1 0.96 0.02 . 1 . . . . 21 VAL HG1 . 11072 1 145 . 1 1 21 21 VAL HG12 H 1 0.96 0.02 . 1 . . . . 21 VAL HG1 . 11072 1 146 . 1 1 21 21 VAL HG13 H 1 0.96 0.02 . 1 . . . . 21 VAL HG1 . 11072 1 147 . 1 1 21 21 VAL HG21 H 1 1.00 0.02 . 1 . . . . 21 VAL HG2 . 11072 1 148 . 1 1 21 21 VAL HG22 H 1 1.00 0.02 . 1 . . . . 21 VAL HG2 . 11072 1 149 . 1 1 21 21 VAL HG23 H 1 1.00 0.02 . 1 . . . . 21 VAL HG2 . 11072 1 150 . 1 1 22 22 GLY H H 1 8.11 0.02 . 1 . . . . 22 GLY H . 11072 1 151 . 1 1 22 22 GLY HA2 H 1 3.87 0.02 . 1 . . . . 22 GLY HA2 . 11072 1 152 . 1 1 22 22 GLY HA3 H 1 3.85 0.02 . 1 . . . . 22 GLY HA3 . 11072 1 153 . 1 1 23 23 ALA H H 1 7.76 0.02 . 1 . . . . 23 ALA H . 11072 1 154 . 1 1 23 23 ALA HA H 1 4.26 0.02 . 1 . . . . 23 ALA HA . 11072 1 155 . 1 1 23 23 ALA HB1 H 1 1.48 0.02 . 1 . . . . 23 ALA HB . 11072 1 156 . 1 1 23 23 ALA HB2 H 1 1.48 0.02 . 1 . . . . 23 ALA HB . 11072 1 157 . 1 1 23 23 ALA HB3 H 1 1.48 0.02 . 1 . . . . 23 ALA HB . 11072 1 158 . 1 1 24 24 ALA H H 1 7.96 0.02 . 1 . . . . 24 ALA H . 11072 1 159 . 1 1 24 24 ALA HA H 1 4.20 0.02 . 1 . . . . 24 ALA HA . 11072 1 160 . 1 1 24 24 ALA HB1 H 1 1.49 0.02 . 1 . . . . 24 ALA HB . 11072 1 161 . 1 1 24 24 ALA HB2 H 1 1.49 0.02 . 1 . . . . 24 ALA HB . 11072 1 162 . 1 1 24 24 ALA HB3 H 1 1.49 0.02 . 1 . . . . 24 ALA HB . 11072 1 163 . 1 1 25 25 ALA H H 1 8.19 0.02 . 1 . . . . 25 ALA H . 11072 1 164 . 1 1 25 25 ALA HA H 1 4.20 0.02 . 1 . . . . 25 ALA HA . 11072 1 165 . 1 1 25 25 ALA HB1 H 1 1.47 0.02 . 1 . . . . 25 ALA HB . 11072 1 166 . 1 1 25 25 ALA HB2 H 1 1.47 0.02 . 1 . . . . 25 ALA HB . 11072 1 167 . 1 1 25 25 ALA HB3 H 1 1.47 0.02 . 1 . . . . 25 ALA HB . 11072 1 168 . 1 1 26 26 VAL H H 1 7.70 0.02 . 1 . . . . 26 VAL H . 11072 1 169 . 1 1 26 26 VAL HA H 1 4.02 0.02 . 1 . . . . 26 VAL HA . 11072 1 170 . 1 1 26 26 VAL HB H 1 2.21 0.02 . 1 . . . . 26 VAL HB . 11072 1 171 . 1 1 26 26 VAL HG11 H 1 0.99 0.02 . 1 . . . . 26 VAL HG1 . 11072 1 172 . 1 1 26 26 VAL HG12 H 1 0.99 0.02 . 1 . . . . 26 VAL HG1 . 11072 1 173 . 1 1 26 26 VAL HG13 H 1 0.99 0.02 . 1 . . . . 26 VAL HG1 . 11072 1 174 . 1 1 26 26 VAL HG21 H 1 1.03 0.02 . 1 . . . . 26 VAL HG2 . 11072 1 175 . 1 1 26 26 VAL HG22 H 1 1.03 0.02 . 1 . . . . 26 VAL HG2 . 11072 1 176 . 1 1 26 26 VAL HG23 H 1 1.03 0.02 . 1 . . . . 26 VAL HG2 . 11072 1 177 . 1 1 27 27 THR H H 1 7.87 0.02 . 1 . . . . 27 THR H . 11072 1 178 . 1 1 27 27 THR HA H 1 4.23 0.02 . 1 . . . . 27 THR HA . 11072 1 179 . 1 1 27 27 THR HB H 1 4.28 0.02 . 1 . . . . 27 THR HB . 11072 1 180 . 1 1 27 27 THR HG21 H 1 1.24 0.02 . 1 . . . . 27 THR HG2 . 11072 1 181 . 1 1 27 27 THR HG22 H 1 1.24 0.02 . 1 . . . . 27 THR HG2 . 11072 1 182 . 1 1 27 27 THR HG23 H 1 1.24 0.02 . 1 . . . . 27 THR HG2 . 11072 1 183 . 1 1 28 28 ALA H H 1 8.06 0.02 . 1 . . . . 28 ALA H . 11072 1 184 . 1 1 28 28 ALA HA H 1 4.28 0.02 . 1 . . . . 28 ALA HA . 11072 1 185 . 1 1 28 28 ALA HB1 H 1 1.43 0.02 . 1 . . . . 28 ALA HB . 11072 1 186 . 1 1 28 28 ALA HB2 H 1 1.43 0.02 . 1 . . . . 28 ALA HB . 11072 1 187 . 1 1 28 28 ALA HB3 H 1 1.43 0.02 . 1 . . . . 28 ALA HB . 11072 1 188 . 1 1 29 29 ALA H H 1 7.91 0.02 . 1 . . . . 29 ALA H . 11072 1 189 . 1 1 29 29 ALA HA H 1 4.31 0.02 . 1 . . . . 29 ALA HA . 11072 1 190 . 1 1 29 29 ALA HB1 H 1 1.42 0.02 . 1 . . . . 29 ALA HB . 11072 1 191 . 1 1 29 29 ALA HB2 H 1 1.42 0.02 . 1 . . . . 29 ALA HB . 11072 1 192 . 1 1 29 29 ALA HB3 H 1 1.42 0.02 . 1 . . . . 29 ALA HB . 11072 1 193 . 1 1 30 30 ASN H H 1 7.96 0.02 . 1 . . . . 30 ASN H . 11072 1 194 . 1 1 30 30 ASN HB2 H 1 2.78 0.02 . 1 . . . . 30 ASN HB2 . 11072 1 195 . 1 1 30 30 ASN HB3 H 1 2.86 0.02 . 1 . . . . 30 ASN HB3 . 11072 1 stop_ save_