################################### # 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 31049 _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 . _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 TOCSY' . . . 31049 1 2 '2D 1H-1H COSY' . . . 31049 1 3 '2D 1H-1H NOESY' . . . 31049 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 1 1 ACE H1 H 1 2.090 0.000 . 1 . . . . A 0 ACE H1 . 31049 1 2 . 1 . 1 2 2 PRO HA H 1 3.544 0.001 . 1 . . . . A 1 PRO HA . 31049 1 3 . 1 . 1 2 2 PRO HB2 H 1 1.932 0.000 . 2 . . . . A 1 PRO HB2 . 31049 1 4 . 1 . 1 2 2 PRO HB3 H 1 1.708 0.000 . 2 . . . . A 1 PRO HB3 . 31049 1 5 . 1 . 1 2 2 PRO HG2 H 1 1.930 0.000 . 2 . . . . A 1 PRO HG2 . 31049 1 6 . 1 . 1 2 2 PRO HG3 H 1 1.871 0.000 . 2 . . . . A 1 PRO HG3 . 31049 1 7 . 1 . 1 2 2 PRO HD2 H 1 3.565 0.000 . 2 . . . . A 1 PRO HD2 . 31049 1 8 . 1 . 1 2 2 PRO HD3 H 1 3.506 0.001 . 2 . . . . A 1 PRO HD3 . 31049 1 9 . 1 . 1 3 3 PRO HA H 1 4.415 0.001 . 1 . . . . A 2 PRO HA . 31049 1 10 . 1 . 1 3 3 PRO HB2 H 1 2.326 0.000 . 2 . . . . A 2 PRO HB2 . 31049 1 11 . 1 . 1 3 3 PRO HB3 H 1 1.984 0.001 . 2 . . . . A 2 PRO HB3 . 31049 1 12 . 1 . 1 3 3 PRO HG2 H 1 1.738 0.000 . 2 . . . . A 2 PRO HG2 . 31049 1 13 . 1 . 1 3 3 PRO HG3 H 1 1.677 0.001 . 2 . . . . A 2 PRO HG3 . 31049 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.230 0.001 . 2 . . . . A 2 PRO HD2 . 31049 1 15 . 1 . 1 3 3 PRO HD3 H 1 3.140 0.001 . 2 . . . . A 2 PRO HD3 . 31049 1 16 . 1 . 1 4 4 LYS H H 1 8.756 0.001 . 1 . . . . A 3 LYS H . 31049 1 17 . 1 . 1 4 4 LYS HA H 1 4.318 0.001 . 1 . . . . A 3 LYS HA . 31049 1 18 . 1 . 1 4 4 LYS HB2 H 1 1.677 0.001 . 1 . . . . A 3 LYS HB2 . 31049 1 19 . 1 . 1 4 4 LYS HB3 H 1 1.677 0.001 . 1 . . . . A 3 LYS HB3 . 31049 1 20 . 1 . 1 4 4 LYS HG2 H 1 1.439 0.003 . 2 . . . . A 3 LYS HG2 . 31049 1 21 . 1 . 1 4 4 LYS HG3 H 1 1.339 0.001 . 2 . . . . A 3 LYS HG3 . 31049 1 22 . 1 . 1 4 4 LYS HD2 H 1 1.650 0.000 . 1 . . . . A 3 LYS HD2 . 31049 1 23 . 1 . 1 4 4 LYS HD3 H 1 1.650 0.000 . 1 . . . . A 3 LYS HD3 . 31049 1 24 . 1 . 1 4 4 LYS HE2 H 1 2.980 0.000 . 1 . . . . A 3 LYS HE2 . 31049 1 25 . 1 . 1 4 4 LYS HE3 H 1 2.980 0.000 . 1 . . . . A 3 LYS HE3 . 31049 1 26 . 1 . 1 5 5 LYS H H 1 8.641 0.000 . 1 . . . . A 4 LYS H . 31049 1 27 . 1 . 1 5 5 LYS HA H 1 3.127 0.002 . 1 . . . . A 4 LYS HA . 31049 1 28 . 1 . 1 5 5 LYS HB2 H 1 1.486 0.000 . 2 . . . . A 4 LYS HB2 . 31049 1 29 . 1 . 1 5 5 LYS HB3 H 1 1.264 0.000 . 2 . . . . A 4 LYS HB3 . 31049 1 30 . 1 . 1 5 5 LYS HG2 H 1 1.255 0.000 . 2 . . . . A 4 LYS HG2 . 31049 1 31 . 1 . 1 5 5 LYS HG3 H 1 0.643 0.000 . 2 . . . . A 4 LYS HG3 . 31049 1 32 . 1 . 1 5 5 LYS HD2 H 1 1.534 0.000 . 1 . . . . A 4 LYS HD2 . 31049 1 33 . 1 . 1 5 5 LYS HD3 H 1 1.534 0.000 . 1 . . . . A 4 LYS HD3 . 31049 1 34 . 1 . 1 6 6 PRO HA H 1 4.412 0.001 . 1 . . . . A 5 PRO HA . 31049 1 35 . 1 . 1 6 6 PRO HB2 H 1 2.404 0.001 . 2 . . . . A 5 PRO HB2 . 31049 1 36 . 1 . 1 6 6 PRO HB3 H 1 1.930 0.000 . 2 . . . . A 5 PRO HB3 . 31049 1 37 . 1 . 1 6 6 PRO HG2 H 1 1.718 0.000 . 2 . . . . A 5 PRO HG2 . 31049 1 38 . 1 . 1 6 6 PRO HG3 H 1 1.650 0.000 . 2 . . . . A 5 PRO HG3 . 31049 1 39 . 1 . 1 6 6 PRO HD2 H 1 3.469 0.001 . 2 . . . . A 5 PRO HD2 . 31049 1 40 . 1 . 1 6 6 PRO HD3 H 1 3.027 0.000 . 2 . . . . A 5 PRO HD3 . 31049 1 41 . 1 . 1 7 7 LYS H H 1 8.749 0.000 . 1 . . . . A 6 LYS H . 31049 1 42 . 1 . 1 7 7 LYS HA H 1 4.196 0.000 . 1 . . . . A 6 LYS HA . 31049 1 43 . 1 . 1 7 7 LYS HB2 H 1 1.671 0.001 . 1 . . . . A 6 LYS HB2 . 31049 1 44 . 1 . 1 7 7 LYS HB3 H 1 1.671 0.001 . 1 . . . . A 6 LYS HB3 . 31049 1 45 . 1 . 1 7 7 LYS HG2 H 1 1.419 0.000 . 2 . . . . A 6 LYS HG2 . 31049 1 46 . 1 . 1 7 7 LYS HG3 H 1 1.339 0.000 . 2 . . . . A 6 LYS HG3 . 31049 1 47 . 1 . 1 7 7 LYS HD2 H 1 1.648 0.000 . 1 . . . . A 6 LYS HD2 . 31049 1 48 . 1 . 1 7 7 LYS HD3 H 1 1.648 0.000 . 1 . . . . A 6 LYS HD3 . 31049 1 49 . 1 . 1 7 7 LYS HE2 H 1 2.975 0.000 . 1 . . . . A 6 LYS HE2 . 31049 1 50 . 1 . 1 7 7 LYS HE3 H 1 2.975 0.000 . 1 . . . . A 6 LYS HE3 . 31049 1 51 . 1 . 1 8 8 LYS H H 1 8.594 0.000 . 1 . . . . A 7 LYS H . 31049 1 52 . 1 . 1 8 8 LYS HA H 1 3.394 0.000 . 1 . . . . A 7 LYS HA . 31049 1 53 . 1 . 1 8 8 LYS HB2 H 1 1.539 0.000 . 2 . . . . A 7 LYS HB2 . 31049 1 54 . 1 . 1 8 8 LYS HB3 H 1 1.446 0.000 . 2 . . . . A 7 LYS HB3 . 31049 1 55 . 1 . 1 8 8 LYS HG2 H 1 1.298 0.000 . 2 . . . . A 7 LYS HG2 . 31049 1 56 . 1 . 1 8 8 LYS HG3 H 1 0.877 0.000 . 2 . . . . A 7 LYS HG3 . 31049 1 57 . 1 . 1 8 8 LYS HD2 H 1 1.544 0.000 . 1 . . . . A 7 LYS HD2 . 31049 1 58 . 1 . 1 8 8 LYS HD3 H 1 1.544 0.000 . 1 . . . . A 7 LYS HD3 . 31049 1 59 . 1 . 1 8 8 LYS HE2 H 1 2.919 0.001 . 1 . . . . A 7 LYS HE2 . 31049 1 60 . 1 . 1 8 8 LYS HE3 H 1 2.919 0.001 . 1 . . . . A 7 LYS HE3 . 31049 1 61 . 1 . 1 9 9 PRO HA H 1 4.284 0.000 . 1 . . . . A 8 PRO HA . 31049 1 62 . 1 . 1 9 9 PRO HB2 H 1 2.194 0.000 . 2 . . . . A 8 PRO HB2 . 31049 1 63 . 1 . 1 9 9 PRO HB3 H 1 1.700 0.000 . 2 . . . . A 8 PRO HB3 . 31049 1 64 . 1 . 1 9 9 PRO HG2 H 1 1.719 0.000 . 2 . . . . A 8 PRO HG2 . 31049 1 65 . 1 . 1 9 9 PRO HG3 H 1 1.684 0.000 . 2 . . . . A 8 PRO HG3 . 31049 1 66 . 1 . 1 9 9 PRO HD2 H 1 3.197 0.001 . 2 . . . . A 8 PRO HD2 . 31049 1 67 . 1 . 1 9 9 PRO HD3 H 1 2.781 0.000 . 2 . . . . A 8 PRO HD3 . 31049 1 68 . 1 . 1 10 10 GLY H H 1 8.394 0.000 . 1 . . . . A 9 GLY H . 31049 1 69 . 1 . 1 10 10 GLY HA2 H 1 4.028 0.001 . 2 . . . . A 9 GLY HA2 . 31049 1 70 . 1 . 1 10 10 GLY HA3 H 1 3.683 0.000 . 2 . . . . A 9 GLY HA3 . 31049 1 71 . 1 . 1 11 11 AIB H H 1 8.486 0.001 . 1 . . . . A 10 AIB H . 31049 1 72 . 1 . 1 11 11 AIB QB1 H 1 1.389 0.000 . 2 . . . . A 10 AIB QB1 . 31049 1 73 . 1 . 1 11 11 AIB QB2 H 1 1.503 0.000 . 2 . . . . A 10 AIB QB2 . 31049 1 74 . 1 . 1 12 12 GLY H H 1 8.599 0.000 . 1 . . . . A 11 GLY H . 31049 1 75 . 1 . 1 12 12 GLY HA2 H 1 3.947 0.001 . 2 . . . . A 11 GLY HA2 . 31049 1 76 . 1 . 1 12 12 GLY HA3 H 1 3.833 0.001 . 2 . . . . A 11 GLY HA3 . 31049 1 77 . 1 . 1 13 13 ALA H H 1 7.622 0.001 . 1 . . . . A 12 ALA H . 31049 1 78 . 1 . 1 13 13 ALA HA H 1 4.261 0.000 . 1 . . . . A 12 ALA HA . 31049 1 79 . 1 . 1 13 13 ALA HB1 H 1 1.395 0.000 . 1 . . . . A 12 ALA HB1 . 31049 1 80 . 1 . 1 13 13 ALA HB2 H 1 1.395 0.000 . 1 . . . . A 12 ALA HB2 . 31049 1 81 . 1 . 1 13 13 ALA HB3 H 1 1.395 0.000 . 1 . . . . A 12 ALA HB3 . 31049 1 82 . 1 . 1 14 14 THR H H 1 7.764 0.000 . 1 . . . . A 13 THR H . 31049 1 83 . 1 . 1 14 14 THR HA H 1 4.576 0.001 . 1 . . . . A 13 THR HA . 31049 1 84 . 1 . 1 14 14 THR HB H 1 4.851 0.000 . 1 . . . . A 13 THR HB . 31049 1 85 . 1 . 1 14 14 THR HG21 H 1 1.457 0.000 . 1 . . . . A 13 THR HG21 . 31049 1 86 . 1 . 1 14 14 THR HG22 H 1 1.457 0.000 . 1 . . . . A 13 THR HG22 . 31049 1 87 . 1 . 1 14 14 THR HG23 H 1 1.457 0.000 . 1 . . . . A 13 THR HG23 . 31049 1 88 . 1 . 1 15 15 PRO HA H 1 4.263 0.001 . 1 . . . . A 14 PRO HA . 31049 1 89 . 1 . 1 15 15 PRO HB2 H 1 2.435 0.000 . 2 . . . . A 14 PRO HB2 . 31049 1 90 . 1 . 1 15 15 PRO HB3 H 1 1.972 0.001 . 2 . . . . A 14 PRO HB3 . 31049 1 91 . 1 . 1 15 15 PRO HG2 H 1 2.263 0.001 . 2 . . . . A 14 PRO HG2 . 31049 1 92 . 1 . 1 15 15 PRO HG3 H 1 2.090 0.000 . 2 . . . . A 14 PRO HG3 . 31049 1 93 . 1 . 1 15 15 PRO HD2 H 1 3.989 0.002 . 2 . . . . A 14 PRO HD2 . 31049 1 94 . 1 . 1 15 15 PRO HD3 H 1 3.930 0.002 . 2 . . . . A 14 PRO HD3 . 31049 1 95 . 1 . 1 16 16 GLU H H 1 9.099 0.001 . 1 . . . . A 15 GLU H . 31049 1 96 . 1 . 1 16 16 GLU HA H 1 4.166 0.001 . 1 . . . . A 15 GLU HA . 31049 1 97 . 1 . 1 16 16 GLU HB2 H 1 2.135 0.000 . 2 . . . . A 15 GLU HB2 . 31049 1 98 . 1 . 1 16 16 GLU HB3 H 1 1.977 0.000 . 2 . . . . A 15 GLU HB3 . 31049 1 99 . 1 . 1 16 16 GLU HG2 H 1 2.435 0.003 . 2 . . . . A 15 GLU HG2 . 31049 1 100 . 1 . 1 16 16 GLU HG3 H 1 2.335 0.002 . 2 . . . . A 15 GLU HG3 . 31049 1 101 . 1 . 1 17 17 LYS H H 1 7.896 0.001 . 1 . . . . A 16 LYS H . 31049 1 102 . 1 . 1 17 17 LYS HA H 1 4.242 0.001 . 1 . . . . A 16 LYS HA . 31049 1 103 . 1 . 1 17 17 LYS HB2 H 1 2.085 0.000 . 2 . . . . A 16 LYS HB2 . 31049 1 104 . 1 . 1 17 17 LYS HB3 H 1 1.868 0.000 . 2 . . . . A 16 LYS HB3 . 31049 1 105 . 1 . 1 17 17 LYS HG2 H 1 1.550 0.000 . 2 . . . . A 16 LYS HG2 . 31049 1 106 . 1 . 1 17 17 LYS HG3 H 1 1.526 0.000 . 2 . . . . A 16 LYS HG3 . 31049 1 107 . 1 . 1 17 17 LYS HD2 H 1 1.756 0.002 . 1 . . . . A 16 LYS HD2 . 31049 1 108 . 1 . 1 17 17 LYS HD3 H 1 1.756 0.002 . 1 . . . . A 16 LYS HD3 . 31049 1 109 . 1 . 1 17 17 LYS HE2 H 1 3.000 0.000 . 1 . . . . A 16 LYS HE2 . 31049 1 110 . 1 . 1 17 17 LYS HE3 H 1 3.000 0.000 . 1 . . . . A 16 LYS HE3 . 31049 1 111 . 1 . 1 18 18 LEU H H 1 8.386 0.001 . 1 . . . . A 17 LEU H . 31049 1 112 . 1 . 1 18 18 LEU HA H 1 4.147 0.001 . 1 . . . . A 17 LEU HA . 31049 1 113 . 1 . 1 18 18 LEU HB2 H 1 1.877 0.000 . 2 . . . . A 17 LEU HB2 . 31049 1 114 . 1 . 1 18 18 LEU HB3 H 1 1.706 0.000 . 2 . . . . A 17 LEU HB3 . 31049 1 115 . 1 . 1 18 18 LEU HG H 1 1.624 0.001 . 1 . . . . A 17 LEU HG . 31049 1 116 . 1 . 1 18 18 LEU HD11 H 1 0.829 0.000 . 2 . . . . A 17 LEU HD11 . 31049 1 117 . 1 . 1 18 18 LEU HD12 H 1 0.829 0.000 . 2 . . . . A 17 LEU HD12 . 31049 1 118 . 1 . 1 18 18 LEU HD13 H 1 0.829 0.000 . 2 . . . . A 17 LEU HD13 . 31049 1 119 . 1 . 1 18 18 LEU HD21 H 1 0.875 0.000 . 2 . . . . A 17 LEU HD21 . 31049 1 120 . 1 . 1 18 18 LEU HD22 H 1 0.875 0.000 . 2 . . . . A 17 LEU HD22 . 31049 1 121 . 1 . 1 18 18 LEU HD23 H 1 0.875 0.000 . 2 . . . . A 17 LEU HD23 . 31049 1 122 . 1 . 1 19 19 ALA H H 1 8.402 0.000 . 1 . . . . A 18 ALA H . 31049 1 123 . 1 . 1 19 19 ALA HA H 1 4.265 0.001 . 1 . . . . A 18 ALA HA . 31049 1 124 . 1 . 1 19 19 ALA HB1 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB1 . 31049 1 125 . 1 . 1 19 19 ALA HB2 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB2 . 31049 1 126 . 1 . 1 19 19 ALA HB3 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB3 . 31049 1 127 . 1 . 1 20 20 ALA H H 1 7.965 0.000 . 1 . . . . A 19 ALA H . 31049 1 128 . 1 . 1 20 20 ALA HA H 1 4.226 0.000 . 1 . . . . A 19 ALA HA . 31049 1 129 . 1 . 1 20 20 ALA HB1 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB1 . 31049 1 130 . 1 . 1 20 20 ALA HB2 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB2 . 31049 1 131 . 1 . 1 20 20 ALA HB3 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB3 . 31049 1 132 . 1 . 1 21 21 TYR H H 1 8.017 0.000 . 1 . . . . A 20 TYR H . 31049 1 133 . 1 . 1 21 21 TYR HA H 1 4.472 0.000 . 1 . . . . A 20 TYR HA . 31049 1 134 . 1 . 1 21 21 TYR HB2 H 1 3.233 0.001 . 2 . . . . A 20 TYR HB2 . 31049 1 135 . 1 . 1 21 21 TYR HB3 H 1 3.207 0.000 . 2 . . . . A 20 TYR HB3 . 31049 1 136 . 1 . 1 21 21 TYR HD1 H 1 7.161 0.000 . 1 . . . . A 20 TYR HD1 . 31049 1 137 . 1 . 1 21 21 TYR HD2 H 1 7.161 0.000 . 1 . . . . A 20 TYR HD2 . 31049 1 138 . 1 . 1 21 21 TYR HE1 H 1 6.555 0.000 . 1 . . . . A 20 TYR HE1 . 31049 1 139 . 1 . 1 21 21 TYR HE2 H 1 6.555 0.000 . 1 . . . . A 20 TYR HE2 . 31049 1 140 . 1 . 1 22 22 GLU H H 1 8.221 0.000 . 1 . . . . A 21 GLU H . 31049 1 141 . 1 . 1 22 22 GLU HA H 1 3.650 0.001 . 1 . . . . A 21 GLU HA . 31049 1 142 . 1 . 1 22 22 GLU HB2 H 1 2.156 0.000 . 2 . . . . A 21 GLU HB2 . 31049 1 143 . 1 . 1 22 22 GLU HB3 H 1 2.120 0.000 . 2 . . . . A 21 GLU HB3 . 31049 1 144 . 1 . 1 22 22 GLU HG2 H 1 2.562 0.001 . 2 . . . . A 21 GLU HG2 . 31049 1 145 . 1 . 1 22 22 GLU HG3 H 1 2.418 0.002 . 2 . . . . A 21 GLU HG3 . 31049 1 146 . 1 . 1 23 23 LYS H H 1 7.619 0.001 . 1 . . . . A 22 LYS H . 31049 1 147 . 1 . 1 23 23 LYS HA H 1 4.157 0.000 . 1 . . . . A 22 LYS HA . 31049 1 148 . 1 . 1 23 23 LYS HB2 H 1 1.995 0.000 . 1 . . . . A 22 LYS HB2 . 31049 1 149 . 1 . 1 23 23 LYS HB3 H 1 1.995 0.000 . 1 . . . . A 22 LYS HB3 . 31049 1 150 . 1 . 1 23 23 LYS HG2 H 1 1.633 0.000 . 2 . . . . A 22 LYS HG2 . 31049 1 151 . 1 . 1 23 23 LYS HG3 H 1 1.452 0.000 . 2 . . . . A 22 LYS HG3 . 31049 1 152 . 1 . 1 23 23 LYS HD2 H 1 1.712 0.000 . 1 . . . . A 22 LYS HD2 . 31049 1 153 . 1 . 1 23 23 LYS HD3 H 1 1.712 0.000 . 1 . . . . A 22 LYS HD3 . 31049 1 154 . 1 . 1 23 23 LYS HE2 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE2 . 31049 1 155 . 1 . 1 23 23 LYS HE3 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE3 . 31049 1 156 . 1 . 1 24 24 GLU H H 1 8.349 0.001 . 1 . . . . A 23 GLU H . 31049 1 157 . 1 . 1 24 24 GLU HA H 1 4.087 0.000 . 1 . . . . A 23 GLU HA . 31049 1 158 . 1 . 1 24 24 GLU HB2 H 1 2.221 0.001 . 2 . . . . A 23 GLU HB2 . 31049 1 159 . 1 . 1 24 24 GLU HB3 H 1 1.992 0.000 . 2 . . . . A 23 GLU HB3 . 31049 1 160 . 1 . 1 24 24 GLU HG2 H 1 2.552 0.000 . 2 . . . . A 23 GLU HG2 . 31049 1 161 . 1 . 1 24 24 GLU HG3 H 1 2.248 0.000 . 2 . . . . A 23 GLU HG3 . 31049 1 162 . 1 . 1 25 25 LEU H H 1 9.223 0.000 . 1 . . . . A 24 LEU H . 31049 1 163 . 1 . 1 25 25 LEU HA H 1 3.942 0.001 . 1 . . . . A 24 LEU HA . 31049 1 164 . 1 . 1 25 25 LEU HB2 H 1 1.586 0.000 . 2 . . . . A 24 LEU HB2 . 31049 1 165 . 1 . 1 25 25 LEU HB3 H 1 0.875 0.000 . 2 . . . . A 24 LEU HB3 . 31049 1 166 . 1 . 1 25 25 LEU HG H 1 1.485 0.000 . 1 . . . . A 24 LEU HG . 31049 1 167 . 1 . 1 25 25 LEU HD11 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD11 . 31049 1 168 . 1 . 1 25 25 LEU HD12 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD12 . 31049 1 169 . 1 . 1 25 25 LEU HD13 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD13 . 31049 1 170 . 1 . 1 25 25 LEU HD21 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD21 . 31049 1 171 . 1 . 1 25 25 LEU HD22 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD22 . 31049 1 172 . 1 . 1 25 25 LEU HD23 H 1 0.891 0.000 . 1 . . . . A 24 LEU HD23 . 31049 1 173 . 1 . 1 26 26 ALA H H 1 7.755 0.000 . 1 . . . . A 25 ALA H . 31049 1 174 . 1 . 1 26 26 ALA HA H 1 4.216 0.000 . 1 . . . . A 25 ALA HA . 31049 1 175 . 1 . 1 26 26 ALA HB1 H 1 1.506 0.000 . 1 . . . . A 25 ALA HB1 . 31049 1 176 . 1 . 1 26 26 ALA HB2 H 1 1.506 0.000 . 1 . . . . A 25 ALA HB2 . 31049 1 177 . 1 . 1 26 26 ALA HB3 H 1 1.506 0.000 . 1 . . . . A 25 ALA HB3 . 31049 1 178 . 1 . 1 27 27 ALA H H 1 7.803 0.000 . 1 . . . . A 26 ALA H . 31049 1 179 . 1 . 1 27 27 ALA HA H 1 4.201 0.001 . 1 . . . . A 26 ALA HA . 31049 1 180 . 1 . 1 27 27 ALA HB1 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB1 . 31049 1 181 . 1 . 1 27 27 ALA HB2 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB2 . 31049 1 182 . 1 . 1 27 27 ALA HB3 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB3 . 31049 1 183 . 1 . 1 28 28 TYR H H 1 8.302 0.001 . 1 . . . . A 27 TYR H . 31049 1 184 . 1 . 1 28 28 TYR HA H 1 4.367 0.000 . 1 . . . . A 27 TYR HA . 31049 1 185 . 1 . 1 28 28 TYR HB2 H 1 3.358 0.000 . 2 . . . . A 27 TYR HB2 . 31049 1 186 . 1 . 1 28 28 TYR HB3 H 1 3.240 0.001 . 2 . . . . A 27 TYR HB3 . 31049 1 187 . 1 . 1 28 28 TYR HD1 H 1 7.065 0.000 . 1 . . . . A 27 TYR HD1 . 31049 1 188 . 1 . 1 28 28 TYR HD2 H 1 7.065 0.000 . 1 . . . . A 27 TYR HD2 . 31049 1 189 . 1 . 1 28 28 TYR HE1 H 1 6.651 0.000 . 1 . . . . A 27 TYR HE1 . 31049 1 190 . 1 . 1 28 28 TYR HE2 H 1 6.651 0.000 . 1 . . . . A 27 TYR HE2 . 31049 1 191 . 1 . 1 29 29 GLU H H 1 8.654 0.000 . 1 . . . . A 28 GLU H . 31049 1 192 . 1 . 1 29 29 GLU HA H 1 3.593 0.001 . 1 . . . . A 28 GLU HA . 31049 1 193 . 1 . 1 29 29 GLU HB2 H 1 2.091 0.000 . 2 . . . . A 28 GLU HB2 . 31049 1 194 . 1 . 1 29 29 GLU HB3 H 1 2.018 0.000 . 2 . . . . A 28 GLU HB3 . 31049 1 195 . 1 . 1 29 29 GLU HG2 H 1 2.638 0.000 . 2 . . . . A 28 GLU HG2 . 31049 1 196 . 1 . 1 29 29 GLU HG3 H 1 2.386 0.001 . 2 . . . . A 28 GLU HG3 . 31049 1 197 . 1 . 1 30 30 LYS H H 1 7.649 0.001 . 1 . . . . A 29 LYS H . 31049 1 198 . 1 . 1 30 30 LYS HA H 1 4.098 0.001 . 1 . . . . A 29 LYS HA . 31049 1 199 . 1 . 1 30 30 LYS HB2 H 1 1.958 0.001 . 1 . . . . A 29 LYS HB2 . 31049 1 200 . 1 . 1 30 30 LYS HB3 H 1 1.958 0.001 . 1 . . . . A 29 LYS HB3 . 31049 1 201 . 1 . 1 30 30 LYS HG2 H 1 1.590 0.001 . 2 . . . . A 29 LYS HG2 . 31049 1 202 . 1 . 1 30 30 LYS HG3 H 1 1.406 0.001 . 2 . . . . A 29 LYS HG3 . 31049 1 203 . 1 . 1 30 30 LYS HD2 H 1 1.696 0.001 . 1 . . . . A 29 LYS HD2 . 31049 1 204 . 1 . 1 30 30 LYS HD3 H 1 1.696 0.001 . 1 . . . . A 29 LYS HD3 . 31049 1 205 . 1 . 1 30 30 LYS HE2 H 1 2.984 0.000 . 1 . . . . A 29 LYS HE2 . 31049 1 206 . 1 . 1 30 30 LYS HE3 H 1 2.984 0.000 . 1 . . . . A 29 LYS HE3 . 31049 1 207 . 1 . 1 31 31 GLU H H 1 8.243 0.001 . 1 . . . . A 30 GLU H . 31049 1 208 . 1 . 1 31 31 GLU HA H 1 4.059 0.001 . 1 . . . . A 30 GLU HA . 31049 1 209 . 1 . 1 31 31 GLU HB2 H 1 2.122 0.001 . 2 . . . . A 30 GLU HB2 . 31049 1 210 . 1 . 1 31 31 GLU HB3 H 1 1.989 0.000 . 2 . . . . A 30 GLU HB3 . 31049 1 211 . 1 . 1 31 31 GLU HG2 H 1 2.466 0.001 . 2 . . . . A 30 GLU HG2 . 31049 1 212 . 1 . 1 31 31 GLU HG3 H 1 2.244 0.000 . 2 . . . . A 30 GLU HG3 . 31049 1 213 . 1 . 1 32 32 LEU H H 1 8.989 0.000 . 1 . . . . A 31 LEU H . 31049 1 214 . 1 . 1 32 32 LEU HA H 1 3.831 0.001 . 1 . . . . A 31 LEU HA . 31049 1 215 . 1 . 1 32 32 LEU HB2 H 1 1.517 0.000 . 2 . . . . A 31 LEU HB2 . 31049 1 216 . 1 . 1 32 32 LEU HB3 H 1 0.916 0.000 . 2 . . . . A 31 LEU HB3 . 31049 1 217 . 1 . 1 32 32 LEU HG H 1 1.393 0.002 . 1 . . . . A 31 LEU HG . 31049 1 218 . 1 . 1 32 32 LEU HD11 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD11 . 31049 1 219 . 1 . 1 32 32 LEU HD12 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD12 . 31049 1 220 . 1 . 1 32 32 LEU HD13 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD13 . 31049 1 221 . 1 . 1 32 32 LEU HD21 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD21 . 31049 1 222 . 1 . 1 32 32 LEU HD22 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD22 . 31049 1 223 . 1 . 1 32 32 LEU HD23 H 1 0.831 0.001 . 1 . . . . A 31 LEU HD23 . 31049 1 224 . 1 . 1 33 33 ALA H H 1 7.670 0.001 . 1 . . . . A 32 ALA H . 31049 1 225 . 1 . 1 33 33 ALA HA H 1 4.115 0.000 . 1 . . . . A 32 ALA HA . 31049 1 226 . 1 . 1 33 33 ALA HB1 H 1 1.474 0.000 . 1 . . . . A 32 ALA HB1 . 31049 1 227 . 1 . 1 33 33 ALA HB2 H 1 1.474 0.000 . 1 . . . . A 32 ALA HB2 . 31049 1 228 . 1 . 1 33 33 ALA HB3 H 1 1.474 0.000 . 1 . . . . A 32 ALA HB3 . 31049 1 229 . 1 . 1 34 34 ALA H H 1 7.475 0.000 . 1 . . . . A 33 ALA H . 31049 1 230 . 1 . 1 34 34 ALA HA H 1 4.207 0.000 . 1 . . . . A 33 ALA HA . 31049 1 231 . 1 . 1 34 34 ALA HB1 H 1 1.456 0.002 . 1 . . . . A 33 ALA HB1 . 31049 1 232 . 1 . 1 34 34 ALA HB2 H 1 1.456 0.002 . 1 . . . . A 33 ALA HB2 . 31049 1 233 . 1 . 1 34 34 ALA HB3 H 1 1.456 0.002 . 1 . . . . A 33 ALA HB3 . 31049 1 234 . 1 . 1 35 35 TYR H H 1 7.919 0.000 . 1 . . . . A 34 TYR H . 31049 1 235 . 1 . 1 35 35 TYR HA H 1 4.157 0.001 . 1 . . . . A 34 TYR HA . 31049 1 236 . 1 . 1 35 35 TYR HB2 H 1 3.190 0.002 . 2 . . . . A 34 TYR HB2 . 31049 1 237 . 1 . 1 35 35 TYR HB3 H 1 3.067 0.000 . 2 . . . . A 34 TYR HB3 . 31049 1 238 . 1 . 1 35 35 TYR HD1 H 1 7.181 0.000 . 1 . . . . A 34 TYR HD1 . 31049 1 239 . 1 . 1 35 35 TYR HD2 H 1 7.181 0.000 . 1 . . . . A 34 TYR HD2 . 31049 1 240 . 1 . 1 35 35 TYR HE1 H 1 6.772 0.000 . 1 . . . . A 34 TYR HE1 . 31049 1 241 . 1 . 1 35 35 TYR HE2 H 1 6.772 0.000 . 1 . . . . A 34 TYR HE2 . 31049 1 242 . 1 . 1 36 36 NH2 HN1 H 1 7.086 0.000 . 2 . . . . A 35 NH2 HN1 . 31049 1 243 . 1 . 1 36 36 NH2 HN2 H 1 7.148 0.000 . 2 . . . . A 35 NH2 HN2 . 31049 1 stop_ save_