################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _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-1H COSY' 1 $sample_1 anisotropic 36683 1 2 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36683 1 3 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36683 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 LYS H H 1 8.727 0.002 . 1 . . . . A 2 LYS H . 36683 1 2 . 1 . 1 2 2 LYS HA H 1 4.372 0.002 . 1 . . . . A 2 LYS HA . 36683 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.776 0 . 2 . . . . A 2 LYS HB2 . 36683 1 4 . 1 . 1 2 2 LYS HB3 H 1 1.776 0 . 2 . . . . A 2 LYS HB3 . 36683 1 5 . 1 . 1 2 2 LYS HG2 H 1 1.443 0.009 . 2 . . . . A 2 LYS HG2 . 36683 1 6 . 1 . 1 2 2 LYS HG3 H 1 1.443 0.009 . 2 . . . . A 2 LYS HG3 . 36683 1 7 . 1 . 1 3 3 CYS H H 1 8.481 0 . 1 . . . . A 3 CYS H . 36683 1 8 . 1 . 1 3 3 CYS HA H 1 4.606 0.001 . 1 . . . . A 3 CYS HA . 36683 1 9 . 1 . 1 3 3 CYS HB2 H 1 2.973 0 . 2 . . . . A 3 CYS HB2 . 36683 1 10 . 1 . 1 3 3 CYS HB3 H 1 2.907 0 . 2 . . . . A 3 CYS HB3 . 36683 1 11 . 1 . 1 4 4 ILE H H 1 8.224 0.001 . 1 . . . . A 4 ILE H . 36683 1 12 . 1 . 1 4 4 ILE HA H 1 4.112 0 . 1 . . . . A 4 ILE HA . 36683 1 13 . 1 . 1 4 4 ILE HB H 1 1.894 0.002 . 1 . . . . A 4 ILE HB . 36683 1 14 . 1 . 1 4 4 ILE HG12 H 1 1.26 0.002 . 2 . . . . A 4 ILE HG12 . 36683 1 15 . 1 . 1 4 4 ILE HG13 H 1 1.215 0 . 2 . . . . A 4 ILE HG13 . 36683 1 16 . 1 . 1 4 4 ILE HG21 H 1 0.938 0 . 1 . . . . A 4 ILE HG21 . 36683 1 17 . 1 . 1 4 4 ILE HG22 H 1 0.938 0 . 1 . . . . A 4 ILE HG22 . 36683 1 18 . 1 . 1 4 4 ILE HG23 H 1 0.938 0 . 1 . . . . A 4 ILE HG23 . 36683 1 19 . 1 . 1 4 4 ILE HD11 H 1 0.872 0 . 1 . . . . A 4 ILE HD11 . 36683 1 20 . 1 . 1 4 4 ILE HD12 H 1 0.872 0 . 1 . . . . A 4 ILE HD12 . 36683 1 21 . 1 . 1 4 4 ILE HD13 H 1 0.872 0 . 1 . . . . A 4 ILE HD13 . 36683 1 22 . 1 . 1 5 5 ALA H H 1 7.985 0.002 . 1 . . . . A 5 ALA H . 36683 1 23 . 1 . 1 5 5 ALA HA H 1 4.128 0.001 . 1 . . . . A 5 ALA HA . 36683 1 24 . 1 . 1 5 5 ALA HB1 H 1 1.435 0.001 . 1 . . . . A 5 ALA HB1 . 36683 1 25 . 1 . 1 5 5 ALA HB2 H 1 1.435 0.001 . 1 . . . . A 5 ALA HB2 . 36683 1 26 . 1 . 1 5 5 ALA HB3 H 1 1.435 0.001 . 1 . . . . A 5 ALA HB3 . 36683 1 27 . 1 . 1 6 6 LYS H H 1 7.648 0 . 1 . . . . A 6 LYS H . 36683 1 28 . 1 . 1 6 6 LYS HA H 1 4.158 0.001 . 1 . . . . A 6 LYS HA . 36683 1 29 . 1 . 1 6 6 LYS HB2 H 1 1.959 0.002 . 2 . . . . A 6 LYS HB2 . 36683 1 30 . 1 . 1 6 6 LYS HB3 H 1 1.959 0.002 . 2 . . . . A 6 LYS HB3 . 36683 1 31 . 1 . 1 6 6 LYS HG2 H 1 1.465 0 . 2 . . . . A 6 LYS HG2 . 36683 1 32 . 1 . 1 6 6 LYS HG3 H 1 1.465 0 . 2 . . . . A 6 LYS HG3 . 36683 1 33 . 1 . 1 6 6 LYS HE2 H 1 2.981 0 . 2 . . . . A 6 LYS HE2 . 36683 1 34 . 1 . 1 6 6 LYS HE3 H 1 2.981 0 . 2 . . . . A 6 LYS HE3 . 36683 1 35 . 1 . 1 7 7 ALA H H 1 8.584 0 . 1 . . . . A 7 ALA H . 36683 1 36 . 1 . 1 7 7 ALA HA H 1 4.054 0 . 1 . . . . A 7 ALA HA . 36683 1 37 . 1 . 1 7 7 ALA HB1 H 1 1.462 0 . 1 . . . . A 7 ALA HB1 . 36683 1 38 . 1 . 1 7 7 ALA HB2 H 1 1.462 0 . 1 . . . . A 7 ALA HB2 . 36683 1 39 . 1 . 1 7 7 ALA HB3 H 1 1.462 0 . 1 . . . . A 7 ALA HB3 . 36683 1 40 . 1 . 1 8 8 ILE H H 1 7.715 0 . 1 . . . . A 8 ILE H . 36683 1 41 . 1 . 1 8 8 ILE HA H 1 3.743 0.001 . 1 . . . . A 8 ILE HA . 36683 1 42 . 1 . 1 8 8 ILE HB H 1 1.989 0 . 1 . . . . A 8 ILE HB . 36683 1 43 . 1 . 1 8 8 ILE HG12 H 1 1.656 0 . 2 . . . . A 8 ILE HG12 . 36683 1 44 . 1 . 1 8 8 ILE HG13 H 1 1.179 0.002 . 2 . . . . A 8 ILE HG13 . 36683 1 45 . 1 . 1 8 8 ILE HG21 H 1 0.889 0.001 . 1 . . . . A 8 ILE HG21 . 36683 1 46 . 1 . 1 8 8 ILE HG22 H 1 0.889 0.001 . 1 . . . . A 8 ILE HG22 . 36683 1 47 . 1 . 1 8 8 ILE HG23 H 1 0.889 0.001 . 1 . . . . A 8 ILE HG23 . 36683 1 48 . 1 . 1 8 8 ILE HD11 H 1 0.827 0 . 1 . . . . A 8 ILE HD11 . 36683 1 49 . 1 . 1 8 8 ILE HD12 H 1 0.827 0 . 1 . . . . A 8 ILE HD12 . 36683 1 50 . 1 . 1 8 8 ILE HD13 H 1 0.827 0 . 1 . . . . A 8 ILE HD13 . 36683 1 51 . 1 . 1 9 9 LEU H H 1 7.671 0.002 . 1 . . . . A 9 LEU H . 36683 1 52 . 1 . 1 9 9 LEU HA H 1 4.022 0 . 1 . . . . A 9 LEU HA . 36683 1 53 . 1 . 1 9 9 LEU HB2 H 1 1.951 0 . 2 . . . . A 9 LEU HB2 . 36683 1 54 . 1 . 1 9 9 LEU HB3 H 1 1.453 0 . 2 . . . . A 9 LEU HB3 . 36683 1 55 . 1 . 1 9 9 LEU HG H 1 1.689 0 . 1 . . . . A 9 LEU HG . 36683 1 56 . 1 . 1 9 9 LEU HD11 H 1 0.913 0 . 2 . . . . A 9 LEU HD11 . 36683 1 57 . 1 . 1 9 9 LEU HD12 H 1 0.913 0 . 2 . . . . A 9 LEU HD12 . 36683 1 58 . 1 . 1 9 9 LEU HD13 H 1 0.913 0 . 2 . . . . A 9 LEU HD13 . 36683 1 59 . 1 . 1 9 9 LEU HD21 H 1 0.913 0 . 2 . . . . A 9 LEU HD21 . 36683 1 60 . 1 . 1 9 9 LEU HD22 H 1 0.913 0 . 2 . . . . A 9 LEU HD22 . 36683 1 61 . 1 . 1 9 9 LEU HD23 H 1 0.913 0 . 2 . . . . A 9 LEU HD23 . 36683 1 62 . 1 . 1 10 10 LYS H H 1 7.947 0.002 . 1 . . . . A 10 LYS H . 36683 1 63 . 1 . 1 10 10 LYS HA H 1 3.938 0 . 1 . . . . A 10 LYS HA . 36683 1 64 . 1 . 1 10 10 LYS HB2 H 1 1.897 0 . 2 . . . . A 10 LYS HB2 . 36683 1 65 . 1 . 1 10 10 LYS HB3 H 1 1.897 0 . 2 . . . . A 10 LYS HB3 . 36683 1 66 . 1 . 1 10 10 LYS HG2 H 1 1.421 0 . 2 . . . . A 10 LYS HG2 . 36683 1 67 . 1 . 1 10 10 LYS HG3 H 1 1.421 0 . 2 . . . . A 10 LYS HG3 . 36683 1 68 . 1 . 1 10 10 LYS HD2 H 1 1.667 0 . 2 . . . . A 10 LYS HD2 . 36683 1 69 . 1 . 1 10 10 LYS HD3 H 1 1.667 0 . 2 . . . . A 10 LYS HD3 . 36683 1 70 . 1 . 1 10 10 LYS HE2 H 1 2.942 0 . 2 . . . . A 10 LYS HE2 . 36683 1 71 . 1 . 1 10 10 LYS HE3 H 1 2.942 0 . 2 . . . . A 10 LYS HE3 . 36683 1 72 . 1 . 1 11 11 LYS H H 1 7.634 0.002 . 1 . . . . A 11 LYS H . 36683 1 73 . 1 . 1 11 11 LYS HA H 1 4.03 0 . 1 . . . . A 11 LYS HA . 36683 1 74 . 1 . 1 11 11 LYS HB2 H 1 1.946 0 . 2 . . . . A 11 LYS HB2 . 36683 1 75 . 1 . 1 11 11 LYS HB3 H 1 1.946 0 . 2 . . . . A 11 LYS HB3 . 36683 1 76 . 1 . 1 11 11 LYS HG2 H 1 1.491 0 . 2 . . . . A 11 LYS HG2 . 36683 1 77 . 1 . 1 11 11 LYS HG3 H 1 1.491 0 . 2 . . . . A 11 LYS HG3 . 36683 1 78 . 1 . 1 11 11 LYS HD2 H 1 1.688 0 . 2 . . . . A 11 LYS HD2 . 36683 1 79 . 1 . 1 11 11 LYS HD3 H 1 1.688 0 . 2 . . . . A 11 LYS HD3 . 36683 1 80 . 1 . 1 11 11 LYS HE2 H 1 2.968 0 . 2 . . . . A 11 LYS HE2 . 36683 1 81 . 1 . 1 11 11 LYS HE3 H 1 2.968 0 . 2 . . . . A 11 LYS HE3 . 36683 1 82 . 1 . 1 12 12 ALA H H 1 7.826 0.001 . 1 . . . . A 12 ALA H . 36683 1 83 . 1 . 1 12 12 ALA HA H 1 4.087 0 . 1 . . . . A 12 ALA HA . 36683 1 84 . 1 . 1 12 12 ALA HB1 H 1 1.489 0.001 . 1 . . . . A 12 ALA HB1 . 36683 1 85 . 1 . 1 12 12 ALA HB2 H 1 1.489 0.001 . 1 . . . . A 12 ALA HB2 . 36683 1 86 . 1 . 1 12 12 ALA HB3 H 1 1.489 0.001 . 1 . . . . A 12 ALA HB3 . 36683 1 87 . 1 . 1 13 13 LYS H H 1 7.61 0.001 . 1 . . . . A 13 LYS H . 36683 1 88 . 1 . 1 13 13 LYS HA H 1 4.129 0 . 1 . . . . A 13 LYS HA . 36683 1 89 . 1 . 1 13 13 LYS HB2 H 1 1.946 0 . 2 . . . . A 13 LYS HB2 . 36683 1 90 . 1 . 1 13 13 LYS HB3 H 1 1.946 0 . 2 . . . . A 13 LYS HB3 . 36683 1 91 . 1 . 1 13 13 LYS HG2 H 1 1.486 0 . 2 . . . . A 13 LYS HG2 . 36683 1 92 . 1 . 1 13 13 LYS HG3 H 1 1.486 0 . 2 . . . . A 13 LYS HG3 . 36683 1 93 . 1 . 1 13 13 LYS HD2 H 1 1.683 0 . 2 . . . . A 13 LYS HD2 . 36683 1 94 . 1 . 1 13 13 LYS HD3 H 1 1.683 0 . 2 . . . . A 13 LYS HD3 . 36683 1 95 . 1 . 1 13 13 LYS HE2 H 1 2.968 0 . 2 . . . . A 13 LYS HE2 . 36683 1 96 . 1 . 1 13 13 LYS HE3 H 1 2.968 0 . 2 . . . . A 13 LYS HE3 . 36683 1 97 . 1 . 1 14 14 LYS H H 1 7.762 0.002 . 1 . . . . A 14 LYS H . 36683 1 98 . 1 . 1 14 14 LYS HA H 1 4.005 0 . 1 . . . . A 14 LYS HA . 36683 1 99 . 1 . 1 14 14 LYS HB2 H 1 1.926 0 . 2 . . . . A 14 LYS HB2 . 36683 1 100 . 1 . 1 14 14 LYS HB3 H 1 1.926 0 . 2 . . . . A 14 LYS HB3 . 36683 1 101 . 1 . 1 14 14 LYS HG2 H 1 1.494 0 . 2 . . . . A 14 LYS HG2 . 36683 1 102 . 1 . 1 14 14 LYS HG3 H 1 1.494 0 . 2 . . . . A 14 LYS HG3 . 36683 1 103 . 1 . 1 14 14 LYS HD2 H 1 1.697 0 . 2 . . . . A 14 LYS HD2 . 36683 1 104 . 1 . 1 14 14 LYS HD3 H 1 1.697 0 . 2 . . . . A 14 LYS HD3 . 36683 1 105 . 1 . 1 14 14 LYS HE2 H 1 2.98 0 . 2 . . . . A 14 LYS HE2 . 36683 1 106 . 1 . 1 14 14 LYS HE3 H 1 2.98 0 . 2 . . . . A 14 LYS HE3 . 36683 1 107 . 1 . 1 15 15 LEU H H 1 8.342 0 . 1 . . . . A 15 LEU H . 36683 1 108 . 1 . 1 15 15 LEU HA H 1 4.041 0 . 1 . . . . A 15 LEU HA . 36683 1 109 . 1 . 1 15 15 LEU HB2 H 1 1.784 0 . 2 . . . . A 15 LEU HB2 . 36683 1 110 . 1 . 1 15 15 LEU HB3 H 1 1.784 0 . 2 . . . . A 15 LEU HB3 . 36683 1 111 . 1 . 1 15 15 LEU HG H 1 1.564 0 . 1 . . . . A 15 LEU HG . 36683 1 112 . 1 . 1 15 15 LEU HD11 H 1 0.836 0 . 2 . . . . A 15 LEU HD11 . 36683 1 113 . 1 . 1 15 15 LEU HD12 H 1 0.836 0 . 2 . . . . A 15 LEU HD12 . 36683 1 114 . 1 . 1 15 15 LEU HD13 H 1 0.836 0 . 2 . . . . A 15 LEU HD13 . 36683 1 115 . 1 . 1 15 15 LEU HD21 H 1 0.836 0 . 2 . . . . A 15 LEU HD21 . 36683 1 116 . 1 . 1 15 15 LEU HD22 H 1 0.836 0 . 2 . . . . A 15 LEU HD22 . 36683 1 117 . 1 . 1 15 15 LEU HD23 H 1 0.836 0 . 2 . . . . A 15 LEU HD23 . 36683 1 118 . 1 . 1 16 16 LEU H H 1 7.952 0.001 . 1 . . . . A 16 LEU H . 36683 1 119 . 1 . 1 16 16 LEU HA H 1 4.237 0.003 . 1 . . . . A 16 LEU HA . 36683 1 120 . 1 . 1 16 16 LEU HB2 H 1 1.813 0 . 2 . . . . A 16 LEU HB2 . 36683 1 121 . 1 . 1 16 16 LEU HB3 H 1 1.813 0 . 2 . . . . A 16 LEU HB3 . 36683 1 122 . 1 . 1 16 16 LEU HG H 1 1.552 0 . 1 . . . . A 16 LEU HG . 36683 1 123 . 1 . 1 16 16 LEU HD11 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD11 . 36683 1 124 . 1 . 1 16 16 LEU HD12 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD12 . 36683 1 125 . 1 . 1 16 16 LEU HD13 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD13 . 36683 1 126 . 1 . 1 16 16 LEU HD21 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD21 . 36683 1 127 . 1 . 1 16 16 LEU HD22 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD22 . 36683 1 128 . 1 . 1 16 16 LEU HD23 H 1 0.853 0.008 . 2 . . . . A 16 LEU HD23 . 36683 1 129 . 1 . 1 17 17 LYS H H 1 8.181 0.001 . 1 . . . . A 17 LYS H . 36683 1 130 . 1 . 1 17 17 LYS HA H 1 3.926 0.004 . 1 . . . . A 17 LYS HA . 36683 1 131 . 1 . 1 17 17 LYS HB2 H 1 1.925 0 . 2 . . . . A 17 LYS HB2 . 36683 1 132 . 1 . 1 17 17 LYS HB3 H 1 1.875 0 . 2 . . . . A 17 LYS HB3 . 36683 1 133 . 1 . 1 17 17 LYS HG2 H 1 1.409 0 . 2 . . . . A 17 LYS HG2 . 36683 1 134 . 1 . 1 17 17 LYS HG3 H 1 1.409 0 . 2 . . . . A 17 LYS HG3 . 36683 1 135 . 1 . 1 17 17 LYS HD2 H 1 1.667 0 . 2 . . . . A 17 LYS HD2 . 36683 1 136 . 1 . 1 17 17 LYS HD3 H 1 1.667 0 . 2 . . . . A 17 LYS HD3 . 36683 1 137 . 1 . 1 17 17 LYS HE2 H 1 2.94 0 . 2 . . . . A 17 LYS HE2 . 36683 1 138 . 1 . 1 17 17 LYS HE3 H 1 2.94 0 . 2 . . . . A 17 LYS HE3 . 36683 1 139 . 1 . 1 18 18 LYS H H 1 7.896 0.001 . 1 . . . . A 18 LYS H . 36683 1 140 . 1 . 1 18 18 LYS HA H 1 3.966 0 . 1 . . . . A 18 LYS HA . 36683 1 141 . 1 . 1 18 18 LYS HB2 H 1 1.851 0.006 . 2 . . . . A 18 LYS HB2 . 36683 1 142 . 1 . 1 18 18 LYS HB3 H 1 1.851 0.006 . 2 . . . . A 18 LYS HB3 . 36683 1 143 . 1 . 1 18 18 LYS HG2 H 1 1.437 0 . 2 . . . . A 18 LYS HG2 . 36683 1 144 . 1 . 1 18 18 LYS HG3 H 1 1.437 0 . 2 . . . . A 18 LYS HG3 . 36683 1 145 . 1 . 1 18 18 LYS HD2 H 1 1.57 0 . 2 . . . . A 18 LYS HD2 . 36683 1 146 . 1 . 1 18 18 LYS HD3 H 1 1.57 0 . 2 . . . . A 18 LYS HD3 . 36683 1 147 . 1 . 1 18 18 LYS HE2 H 1 2.975 0 . 2 . . . . A 18 LYS HE2 . 36683 1 148 . 1 . 1 18 18 LYS HE3 H 1 2.975 0 . 2 . . . . A 18 LYS HE3 . 36683 1 149 . 1 . 1 19 19 LEU H H 1 7.886 0.002 . 1 . . . . A 19 LEU H . 36683 1 150 . 1 . 1 19 19 LEU HA H 1 4.046 0.004 . 1 . . . . A 19 LEU HA . 36683 1 151 . 1 . 1 19 19 LEU HB2 H 1 1.73 0 . 2 . . . . A 19 LEU HB2 . 36683 1 152 . 1 . 1 19 19 LEU HB3 H 1 1.73 0 . 2 . . . . A 19 LEU HB3 . 36683 1 153 . 1 . 1 19 19 LEU HG H 1 1.467 0 . 1 . . . . A 19 LEU HG . 36683 1 154 . 1 . 1 19 19 LEU HD11 H 1 0.935 0 . 2 . . . . A 19 LEU HD11 . 36683 1 155 . 1 . 1 19 19 LEU HD12 H 1 0.935 0 . 2 . . . . A 19 LEU HD12 . 36683 1 156 . 1 . 1 19 19 LEU HD13 H 1 0.935 0 . 2 . . . . A 19 LEU HD13 . 36683 1 157 . 1 . 1 19 19 LEU HD21 H 1 0.874 0 . 2 . . . . A 19 LEU HD21 . 36683 1 158 . 1 . 1 19 19 LEU HD22 H 1 0.874 0 . 2 . . . . A 19 LEU HD22 . 36683 1 159 . 1 . 1 19 19 LEU HD23 H 1 0.874 0 . 2 . . . . A 19 LEU HD23 . 36683 1 160 . 1 . 1 20 20 VAL H H 1 7.835 0.001 . 1 . . . . A 20 VAL H . 36683 1 161 . 1 . 1 20 20 VAL HA H 1 4.095 0.001 . 1 . . . . A 20 VAL HA . 36683 1 162 . 1 . 1 20 20 VAL HB H 1 2.149 0.002 . 1 . . . . A 20 VAL HB . 36683 1 163 . 1 . 1 20 20 VAL HG11 H 1 0.969 0 . 2 . . . . A 20 VAL HG11 . 36683 1 164 . 1 . 1 20 20 VAL HG12 H 1 0.969 0 . 2 . . . . A 20 VAL HG12 . 36683 1 165 . 1 . 1 20 20 VAL HG13 H 1 0.969 0 . 2 . . . . A 20 VAL HG13 . 36683 1 166 . 1 . 1 20 20 VAL HG21 H 1 0.889 0 . 2 . . . . A 20 VAL HG21 . 36683 1 167 . 1 . 1 20 20 VAL HG22 H 1 0.889 0 . 2 . . . . A 20 VAL HG22 . 36683 1 168 . 1 . 1 20 20 VAL HG23 H 1 0.889 0 . 2 . . . . A 20 VAL HG23 . 36683 1 169 . 1 . 1 21 21 ASN H H 1 8.03 0 . 1 . . . . A 21 ASN H . 36683 1 170 . 1 . 1 21 21 ASN HA H 1 5.04 0 . 1 . . . . A 21 ASN HA . 36683 1 171 . 1 . 1 21 21 ASN HB2 H 1 2.828 0.001 . 2 . . . . A 21 ASN HB2 . 36683 1 172 . 1 . 1 21 21 ASN HB3 H 1 2.652 0.001 . 2 . . . . A 21 ASN HB3 . 36683 1 173 . 1 . 1 22 22 PRO HA H 1 4.39 0.002 . 1 . . . . A 22 PRO HA . 36683 1 174 . 1 . 1 22 22 PRO HB2 H 1 2.303 0.002 . 2 . . . . A 22 PRO HB2 . 36683 1 175 . 1 . 1 22 22 PRO HB3 H 1 2.303 0.002 . 2 . . . . A 22 PRO HB3 . 36683 1 176 . 1 . 1 22 22 PRO HG2 H 1 2.015 0 . 2 . . . . A 22 PRO HG2 . 36683 1 177 . 1 . 1 22 22 PRO HG3 H 1 2.015 0 . 2 . . . . A 22 PRO HG3 . 36683 1 178 . 1 . 1 22 22 PRO HD2 H 1 3.678 0.004 . 2 . . . . A 22 PRO HD2 . 36683 1 179 . 1 . 1 22 22 PRO HD3 H 1 3.642 0.004 . 2 . . . . A 22 PRO HD3 . 36683 1 stop_ save_