################################### # 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 31071 _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' . . . 31071 1 2 '2D 1H-1H COSY' . . . 31071 1 3 '2D 1H-1H NOESY' . . . 31071 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 2.093 0.001 . 1 . . . . A 0 ACE H1 . 31071 1 2 . 1 . 1 2 2 PRO HA H 1 3.522 0.002 . 1 . . . . A 1 PRO HA . 31071 1 3 . 1 . 1 2 2 PRO HB2 H 1 1.927 0.000 . 2 . . . . A 1 PRO HB2 . 31071 1 4 . 1 . 1 2 2 PRO HB3 H 1 1.706 0.001 . 2 . . . . A 1 PRO HB3 . 31071 1 5 . 1 . 1 2 2 PRO HG2 H 1 1.932 0.000 . 2 . . . . A 1 PRO HG2 . 31071 1 6 . 1 . 1 2 2 PRO HG3 H 1 1.872 0.000 . 2 . . . . A 1 PRO HG3 . 31071 1 7 . 1 . 1 2 2 PRO HD2 H 1 3.566 0.000 . 2 . . . . A 1 PRO HD2 . 31071 1 8 . 1 . 1 2 2 PRO HD3 H 1 3.507 0.000 . 2 . . . . A 1 PRO HD3 . 31071 1 9 . 1 . 1 3 3 PRO HA H 1 4.410 0.001 . 1 . . . . A 2 PRO HA . 31071 1 10 . 1 . 1 3 3 PRO HB2 H 1 2.320 0.001 . 2 . . . . A 2 PRO HB2 . 31071 1 11 . 1 . 1 3 3 PRO HB3 H 1 1.981 0.002 . 2 . . . . A 2 PRO HB3 . 31071 1 12 . 1 . 1 3 3 PRO HG2 H 1 1.735 0.000 . 2 . . . . A 2 PRO HG2 . 31071 1 13 . 1 . 1 3 3 PRO HG3 H 1 1.667 0.000 . 2 . . . . A 2 PRO HG3 . 31071 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.212 0.001 . 2 . . . . A 2 PRO HD2 . 31071 1 15 . 1 . 1 3 3 PRO HD3 H 1 3.135 0.001 . 2 . . . . A 2 PRO HD3 . 31071 1 16 . 1 . 1 4 4 LYS H H 1 8.744 0.001 . 1 . . . . A 3 LYS H . 31071 1 17 . 1 . 1 4 4 LYS HA H 1 4.326 0.001 . 1 . . . . A 3 LYS HA . 31071 1 18 . 1 . 1 4 4 LYS HB2 H 1 1.683 0.000 . 1 . . . . A 3 LYS HB2 . 31071 1 19 . 1 . 1 4 4 LYS HB3 H 1 1.683 0.000 . 1 . . . . A 3 LYS HB3 . 31071 1 20 . 1 . 1 4 4 LYS HG2 H 1 1.438 0.001 . 2 . . . . A 3 LYS HG2 . 31071 1 21 . 1 . 1 4 4 LYS HG3 H 1 1.345 0.000 . 2 . . . . A 3 LYS HG3 . 31071 1 22 . 1 . 1 4 4 LYS HD2 H 1 1.658 0.002 . 1 . . . . A 3 LYS HD2 . 31071 1 23 . 1 . 1 4 4 LYS HD3 H 1 1.658 0.002 . 1 . . . . A 3 LYS HD3 . 31071 1 24 . 1 . 1 4 4 LYS HE2 H 1 2.984 0.002 . 1 . . . . A 3 LYS HE2 . 31071 1 25 . 1 . 1 4 4 LYS HE3 H 1 2.984 0.002 . 1 . . . . A 3 LYS HE3 . 31071 1 26 . 1 . 1 5 5 LYS H H 1 8.638 0.000 . 1 . . . . A 4 LYS H . 31071 1 27 . 1 . 1 5 5 LYS HA H 1 3.150 0.001 . 1 . . . . A 4 LYS HA . 31071 1 28 . 1 . 1 5 5 LYS HB2 H 1 1.487 0.000 . 2 . . . . A 4 LYS HB2 . 31071 1 29 . 1 . 1 5 5 LYS HB3 H 1 1.279 0.000 . 2 . . . . A 4 LYS HB3 . 31071 1 30 . 1 . 1 5 5 LYS HG2 H 1 1.218 0.000 . 2 . . . . A 4 LYS HG2 . 31071 1 31 . 1 . 1 5 5 LYS HG3 H 1 0.694 0.002 . 2 . . . . A 4 LYS HG3 . 31071 1 32 . 1 . 1 5 5 LYS HD2 H 1 1.551 0.000 . 1 . . . . A 4 LYS HD2 . 31071 1 33 . 1 . 1 5 5 LYS HD3 H 1 1.551 0.000 . 1 . . . . A 4 LYS HD3 . 31071 1 34 . 1 . 1 5 5 LYS HE2 H 1 2.920 0.001 . 1 . . . . A 4 LYS HE2 . 31071 1 35 . 1 . 1 5 5 LYS HE3 H 1 2.920 0.001 . 1 . . . . A 4 LYS HE3 . 31071 1 36 . 1 . 1 6 6 PRO HA H 1 4.406 0.001 . 1 . . . . A 5 PRO HA . 31071 1 37 . 1 . 1 6 6 PRO HB2 H 1 2.402 0.002 . 2 . . . . A 5 PRO HB2 . 31071 1 38 . 1 . 1 6 6 PRO HB3 H 1 1.926 0.001 . 2 . . . . A 5 PRO HB3 . 31071 1 39 . 1 . 1 6 6 PRO HG2 H 1 1.714 0.000 . 2 . . . . A 5 PRO HG2 . 31071 1 40 . 1 . 1 6 6 PRO HG3 H 1 1.642 0.000 . 2 . . . . A 5 PRO HG3 . 31071 1 41 . 1 . 1 6 6 PRO HD2 H 1 3.437 0.001 . 2 . . . . A 5 PRO HD2 . 31071 1 42 . 1 . 1 6 6 PRO HD3 H 1 3.021 0.001 . 2 . . . . A 5 PRO HD3 . 31071 1 43 . 1 . 1 7 7 LYS H H 1 8.736 0.001 . 1 . . . . A 6 LYS H . 31071 1 44 . 1 . 1 7 7 LYS HA H 1 4.196 0.000 . 1 . . . . A 6 LYS HA . 31071 1 45 . 1 . 1 7 7 LYS HB2 H 1 1.690 0.000 . 1 . . . . A 6 LYS HB2 . 31071 1 46 . 1 . 1 7 7 LYS HB3 H 1 1.690 0.000 . 1 . . . . A 6 LYS HB3 . 31071 1 47 . 1 . 1 7 7 LYS HG2 H 1 1.432 0.000 . 2 . . . . A 6 LYS HG2 . 31071 1 48 . 1 . 1 7 7 LYS HG3 H 1 1.383 0.000 . 2 . . . . A 6 LYS HG3 . 31071 1 49 . 1 . 1 7 7 LYS HD2 H 1 1.656 0.000 . 1 . . . . A 6 LYS HD2 . 31071 1 50 . 1 . 1 7 7 LYS HD3 H 1 1.656 0.000 . 1 . . . . A 6 LYS HD3 . 31071 1 51 . 1 . 1 7 7 LYS HE2 H 1 2.986 0.001 . 1 . . . . A 6 LYS HE2 . 31071 1 52 . 1 . 1 7 7 LYS HE3 H 1 2.986 0.001 . 1 . . . . A 6 LYS HE3 . 31071 1 53 . 1 . 1 8 8 LYS H H 1 8.548 0.000 . 1 . . . . A 7 LYS H . 31071 1 54 . 1 . 1 8 8 LYS HA H 1 3.498 0.002 . 1 . . . . A 7 LYS HA . 31071 1 55 . 1 . 1 8 8 LYS HB2 H 1 1.562 0.000 . 2 . . . . A 7 LYS HB2 . 31071 1 56 . 1 . 1 8 8 LYS HB3 H 1 1.519 0.000 . 2 . . . . A 7 LYS HB3 . 31071 1 57 . 1 . 1 8 8 LYS HG2 H 1 1.327 0.000 . 2 . . . . A 7 LYS HG2 . 31071 1 58 . 1 . 1 8 8 LYS HG3 H 1 1.068 0.003 . 2 . . . . A 7 LYS HG3 . 31071 1 59 . 1 . 1 8 8 LYS HE2 H 1 2.941 0.001 . 1 . . . . A 7 LYS HE2 . 31071 1 60 . 1 . 1 8 8 LYS HE3 H 1 2.941 0.001 . 1 . . . . A 7 LYS HE3 . 31071 1 61 . 1 . 1 9 9 PRO HA H 1 4.265 0.002 . 1 . . . . A 8 PRO HA . 31071 1 62 . 1 . 1 9 9 PRO HB2 H 1 2.144 0.000 . 2 . . . . A 8 PRO HB2 . 31071 1 63 . 1 . 1 9 9 PRO HB3 H 1 1.683 0.000 . 2 . . . . A 8 PRO HB3 . 31071 1 64 . 1 . 1 9 9 PRO HG2 H 1 1.682 0.000 . 1 . . . . A 8 PRO HG2 . 31071 1 65 . 1 . 1 9 9 PRO HG3 H 1 1.682 0.000 . 1 . . . . A 8 PRO HG3 . 31071 1 66 . 1 . 1 9 9 PRO HD2 H 1 2.962 0.000 . 2 . . . . A 8 PRO HD2 . 31071 1 67 . 1 . 1 9 9 PRO HD3 H 1 2.787 0.001 . 2 . . . . A 8 PRO HD3 . 31071 1 68 . 1 . 1 10 10 GLY H H 1 8.394 0.002 . 1 . . . . A 9 GLY H . 31071 1 69 . 1 . 1 10 10 GLY HA2 H 1 4.176 0.000 . 2 . . . . A 9 GLY HA2 . 31071 1 70 . 1 . 1 10 10 GLY HA3 H 1 3.854 0.001 . 2 . . . . A 9 GLY HA3 . 31071 1 71 . 1 . 1 11 11 PRO HA H 1 4.666 0.001 . 1 . . . . A 10 PRO HA . 31071 1 72 . 1 . 1 11 11 PRO HB2 H 1 2.352 0.000 . 2 . . . . A 10 PRO HB2 . 31071 1 73 . 1 . 1 11 11 PRO HB3 H 1 1.826 0.000 . 2 . . . . A 10 PRO HB3 . 31071 1 74 . 1 . 1 11 11 PRO HG2 H 1 2.065 0.000 . 2 . . . . A 10 PRO HG2 . 31071 1 75 . 1 . 1 11 11 PRO HG3 H 1 2.009 0.000 . 2 . . . . A 10 PRO HG3 . 31071 1 76 . 1 . 1 11 11 PRO HD2 H 1 3.646 0.003 . 2 . . . . A 10 PRO HD2 . 31071 1 77 . 1 . 1 11 11 PRO HD3 H 1 3.560 0.001 . 2 . . . . A 10 PRO HD3 . 31071 1 78 . 1 . 1 12 12 DPR HA H 1 4.411 0.001 . 1 . . . . A 11 DPR HA . 31071 1 79 . 1 . 1 12 12 DPR HB2 H 1 2.001 0.000 . 2 . . . . A 11 DPR HB2 . 31071 1 80 . 1 . 1 12 12 DPR HB3 H 1 2.269 0.002 . 2 . . . . A 11 DPR HB3 . 31071 1 81 . 1 . 1 12 12 DPR HD2 H 1 3.662 0.001 . 2 . . . . A 11 DPR HD2 . 31071 1 82 . 1 . 1 12 12 DPR HD3 H 1 3.987 0.001 . 2 . . . . A 11 DPR HD3 . 31071 1 83 . 1 . 1 12 12 DPR HG2 H 1 2.022 0.000 . 2 . . . . A 11 DPR HG2 . 31071 1 84 . 1 . 1 12 12 DPR HG3 H 1 2.115 0.000 . 2 . . . . A 11 DPR HG3 . 31071 1 85 . 1 . 1 13 13 ALA H H 1 7.095 0.001 . 1 . . . . A 12 ALA H . 31071 1 86 . 1 . 1 13 13 ALA HA H 1 4.307 0.000 . 1 . . . . A 12 ALA HA . 31071 1 87 . 1 . 1 13 13 ALA HB1 H 1 1.370 0.000 . 1 . . . . A 12 ALA HB1 . 31071 1 88 . 1 . 1 13 13 ALA HB2 H 1 1.370 0.000 . 1 . . . . A 12 ALA HB2 . 31071 1 89 . 1 . 1 13 13 ALA HB3 H 1 1.370 0.000 . 1 . . . . A 12 ALA HB3 . 31071 1 90 . 1 . 1 14 14 THR H H 1 7.890 0.000 . 1 . . . . A 13 THR H . 31071 1 91 . 1 . 1 14 14 THR HA H 1 4.532 0.001 . 1 . . . . A 13 THR HA . 31071 1 92 . 1 . 1 14 14 THR HB H 1 4.857 0.000 . 1 . . . . A 13 THR HB . 31071 1 93 . 1 . 1 14 14 THR HG21 H 1 1.467 0.000 . 1 . . . . A 13 THR HG21 . 31071 1 94 . 1 . 1 14 14 THR HG22 H 1 1.467 0.000 . 1 . . . . A 13 THR HG22 . 31071 1 95 . 1 . 1 14 14 THR HG23 H 1 1.467 0.000 . 1 . . . . A 13 THR HG23 . 31071 1 96 . 1 . 1 15 15 PRO HA H 1 4.262 0.000 . 1 . . . . A 14 PRO HA . 31071 1 97 . 1 . 1 15 15 PRO HB2 H 1 2.429 0.000 . 2 . . . . A 14 PRO HB2 . 31071 1 98 . 1 . 1 15 15 PRO HB3 H 1 1.972 0.001 . 2 . . . . A 14 PRO HB3 . 31071 1 99 . 1 . 1 15 15 PRO HG2 H 1 2.264 0.002 . 2 . . . . A 14 PRO HG2 . 31071 1 100 . 1 . 1 15 15 PRO HG3 H 1 2.099 0.002 . 2 . . . . A 14 PRO HG3 . 31071 1 101 . 1 . 1 15 15 PRO HD2 H 1 3.963 0.001 . 2 . . . . A 14 PRO HD2 . 31071 1 102 . 1 . 1 15 15 PRO HD3 H 1 3.937 0.001 . 2 . . . . A 14 PRO HD3 . 31071 1 103 . 1 . 1 16 16 GLU H H 1 9.066 0.001 . 1 . . . . A 15 GLU H . 31071 1 104 . 1 . 1 16 16 GLU HA H 1 4.148 0.002 . 1 . . . . A 15 GLU HA . 31071 1 105 . 1 . 1 16 16 GLU HB2 H 1 2.139 0.001 . 2 . . . . A 15 GLU HB2 . 31071 1 106 . 1 . 1 16 16 GLU HB3 H 1 1.972 0.000 . 2 . . . . A 15 GLU HB3 . 31071 1 107 . 1 . 1 16 16 GLU HG2 H 1 2.448 0.000 . 2 . . . . A 15 GLU HG2 . 31071 1 108 . 1 . 1 16 16 GLU HG3 H 1 2.327 0.000 . 2 . . . . A 15 GLU HG3 . 31071 1 109 . 1 . 1 17 17 LYS H H 1 7.936 0.001 . 1 . . . . A 16 LYS H . 31071 1 110 . 1 . 1 17 17 LYS HA H 1 4.230 0.001 . 1 . . . . A 16 LYS HA . 31071 1 111 . 1 . 1 17 17 LYS HB2 H 1 2.099 0.001 . 2 . . . . A 16 LYS HB2 . 31071 1 112 . 1 . 1 17 17 LYS HB3 H 1 1.873 0.000 . 2 . . . . A 16 LYS HB3 . 31071 1 113 . 1 . 1 17 17 LYS HG2 H 1 1.542 0.000 . 1 . . . . A 16 LYS HG2 . 31071 1 114 . 1 . 1 17 17 LYS HG3 H 1 1.542 0.000 . 1 . . . . A 16 LYS HG3 . 31071 1 115 . 1 . 1 17 17 LYS HD2 H 1 1.768 0.000 . 1 . . . . A 16 LYS HD2 . 31071 1 116 . 1 . 1 17 17 LYS HD3 H 1 1.768 0.000 . 1 . . . . A 16 LYS HD3 . 31071 1 117 . 1 . 1 17 17 LYS HE2 H 1 2.998 0.000 . 1 . . . . A 16 LYS HE2 . 31071 1 118 . 1 . 1 17 17 LYS HE3 H 1 2.998 0.000 . 1 . . . . A 16 LYS HE3 . 31071 1 119 . 1 . 1 18 18 LEU H H 1 8.373 0.001 . 1 . . . . A 17 LEU H . 31071 1 120 . 1 . 1 18 18 LEU HA H 1 4.126 0.001 . 1 . . . . A 17 LEU HA . 31071 1 121 . 1 . 1 18 18 LEU HB2 H 1 1.880 0.000 . 2 . . . . A 17 LEU HB2 . 31071 1 122 . 1 . 1 18 18 LEU HB3 H 1 1.686 0.000 . 2 . . . . A 17 LEU HB3 . 31071 1 123 . 1 . 1 18 18 LEU HG H 1 1.650 0.001 . 1 . . . . A 17 LEU HG . 31071 1 124 . 1 . 1 18 18 LEU HD11 H 1 0.848 0.001 . 2 . . . . A 17 LEU HD11 . 31071 1 125 . 1 . 1 18 18 LEU HD12 H 1 0.848 0.001 . 2 . . . . A 17 LEU HD12 . 31071 1 126 . 1 . 1 18 18 LEU HD13 H 1 0.848 0.001 . 2 . . . . A 17 LEU HD13 . 31071 1 127 . 1 . 1 18 18 LEU HD21 H 1 0.887 0.001 . 2 . . . . A 17 LEU HD21 . 31071 1 128 . 1 . 1 18 18 LEU HD22 H 1 0.887 0.001 . 2 . . . . A 17 LEU HD22 . 31071 1 129 . 1 . 1 18 18 LEU HD23 H 1 0.887 0.001 . 2 . . . . A 17 LEU HD23 . 31071 1 130 . 1 . 1 19 19 ALA H H 1 8.389 0.000 . 1 . . . . A 18 ALA H . 31071 1 131 . 1 . 1 19 19 ALA HA H 1 4.258 0.001 . 1 . . . . A 18 ALA HA . 31071 1 132 . 1 . 1 19 19 ALA HB1 H 1 1.516 0.001 . 1 . . . . A 18 ALA HB1 . 31071 1 133 . 1 . 1 19 19 ALA HB2 H 1 1.516 0.001 . 1 . . . . A 18 ALA HB2 . 31071 1 134 . 1 . 1 19 19 ALA HB3 H 1 1.516 0.001 . 1 . . . . A 18 ALA HB3 . 31071 1 135 . 1 . 1 20 20 ALA H H 1 8.003 0.000 . 1 . . . . A 19 ALA H . 31071 1 136 . 1 . 1 20 20 ALA HA H 1 4.223 0.000 . 1 . . . . A 19 ALA HA . 31071 1 137 . 1 . 1 20 20 ALA HB1 H 1 1.595 0.000 . 1 . . . . A 19 ALA HB1 . 31071 1 138 . 1 . 1 20 20 ALA HB2 H 1 1.595 0.000 . 1 . . . . A 19 ALA HB2 . 31071 1 139 . 1 . 1 20 20 ALA HB3 H 1 1.595 0.000 . 1 . . . . A 19 ALA HB3 . 31071 1 140 . 1 . 1 21 21 TYR H H 1 8.068 0.000 . 1 . . . . A 20 TYR H . 31071 1 141 . 1 . 1 21 21 TYR HA H 1 4.472 0.002 . 1 . . . . A 20 TYR HA . 31071 1 142 . 1 . 1 21 21 TYR HB2 H 1 3.250 0.002 . 2 . . . . A 20 TYR HB2 . 31071 1 143 . 1 . 1 21 21 TYR HB3 H 1 3.175 0.003 . 2 . . . . A 20 TYR HB3 . 31071 1 144 . 1 . 1 21 21 TYR HD1 H 1 7.160 0.001 . 1 . . . . A 20 TYR HD1 . 31071 1 145 . 1 . 1 21 21 TYR HD2 H 1 7.160 0.001 . 1 . . . . A 20 TYR HD2 . 31071 1 146 . 1 . 1 21 21 TYR HE1 H 1 6.571 0.000 . 1 . . . . A 20 TYR HE1 . 31071 1 147 . 1 . 1 21 21 TYR HE2 H 1 6.571 0.000 . 1 . . . . A 20 TYR HE2 . 31071 1 148 . 1 . 1 22 22 GLU H H 1 8.220 0.000 . 1 . . . . A 21 GLU H . 31071 1 149 . 1 . 1 22 22 GLU HA H 1 3.660 0.001 . 1 . . . . A 21 GLU HA . 31071 1 150 . 1 . 1 22 22 GLU HB2 H 1 2.152 0.000 . 2 . . . . A 21 GLU HB2 . 31071 1 151 . 1 . 1 22 22 GLU HB3 H 1 2.116 0.000 . 2 . . . . A 21 GLU HB3 . 31071 1 152 . 1 . 1 22 22 GLU HG2 H 1 2.558 0.000 . 2 . . . . A 21 GLU HG2 . 31071 1 153 . 1 . 1 22 22 GLU HG3 H 1 2.402 0.000 . 2 . . . . A 21 GLU HG3 . 31071 1 154 . 1 . 1 23 23 LYS H H 1 7.650 0.000 . 1 . . . . A 22 LYS H . 31071 1 155 . 1 . 1 23 23 LYS HA H 1 4.152 0.001 . 1 . . . . A 22 LYS HA . 31071 1 156 . 1 . 1 23 23 LYS HB2 H 1 1.992 0.002 . 1 . . . . A 22 LYS HB2 . 31071 1 157 . 1 . 1 23 23 LYS HB3 H 1 1.992 0.002 . 1 . . . . A 22 LYS HB3 . 31071 1 158 . 1 . 1 23 23 LYS HG2 H 1 1.631 0.000 . 2 . . . . A 22 LYS HG2 . 31071 1 159 . 1 . 1 23 23 LYS HG3 H 1 1.430 0.000 . 2 . . . . A 22 LYS HG3 . 31071 1 160 . 1 . 1 23 23 LYS HD2 H 1 1.704 0.000 . 1 . . . . A 22 LYS HD2 . 31071 1 161 . 1 . 1 23 23 LYS HD3 H 1 1.704 0.000 . 1 . . . . A 22 LYS HD3 . 31071 1 162 . 1 . 1 23 23 LYS HE2 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE2 . 31071 1 163 . 1 . 1 23 23 LYS HE3 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE3 . 31071 1 164 . 1 . 1 24 24 GLU H H 1 8.391 0.000 . 1 . . . . A 23 GLU H . 31071 1 165 . 1 . 1 24 24 GLU HA H 1 4.088 0.001 . 1 . . . . A 23 GLU HA . 31071 1 166 . 1 . 1 24 24 GLU HB2 H 1 2.217 0.000 . 2 . . . . A 23 GLU HB2 . 31071 1 167 . 1 . 1 24 24 GLU HB3 H 1 1.987 0.000 . 2 . . . . A 23 GLU HB3 . 31071 1 168 . 1 . 1 24 24 GLU HG2 H 1 2.563 0.001 . 2 . . . . A 23 GLU HG2 . 31071 1 169 . 1 . 1 24 24 GLU HG3 H 1 2.253 0.000 . 2 . . . . A 23 GLU HG3 . 31071 1 170 . 1 . 1 25 25 LEU H H 1 9.233 0.000 . 1 . . . . A 24 LEU H . 31071 1 171 . 1 . 1 25 25 LEU HA H 1 3.944 0.001 . 1 . . . . A 24 LEU HA . 31071 1 172 . 1 . 1 25 25 LEU HB2 H 1 1.575 0.000 . 2 . . . . A 24 LEU HB2 . 31071 1 173 . 1 . 1 25 25 LEU HB3 H 1 0.901 0.000 . 2 . . . . A 24 LEU HB3 . 31071 1 174 . 1 . 1 25 25 LEU HG H 1 1.465 0.001 . 1 . . . . A 24 LEU HG . 31071 1 175 . 1 . 1 25 25 LEU HD11 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD11 . 31071 1 176 . 1 . 1 25 25 LEU HD12 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD12 . 31071 1 177 . 1 . 1 25 25 LEU HD13 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD13 . 31071 1 178 . 1 . 1 25 25 LEU HD21 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD21 . 31071 1 179 . 1 . 1 25 25 LEU HD22 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD22 . 31071 1 180 . 1 . 1 25 25 LEU HD23 H 1 0.863 0.000 . 1 . . . . A 24 LEU HD23 . 31071 1 181 . 1 . 1 26 26 ALA H H 1 7.749 0.000 . 1 . . . . A 25 ALA H . 31071 1 182 . 1 . 1 26 26 ALA HA H 1 4.214 0.000 . 1 . . . . A 25 ALA HA . 31071 1 183 . 1 . 1 26 26 ALA HB1 H 1 1.508 0.002 . 1 . . . . A 25 ALA HB1 . 31071 1 184 . 1 . 1 26 26 ALA HB2 H 1 1.508 0.002 . 1 . . . . A 25 ALA HB2 . 31071 1 185 . 1 . 1 26 26 ALA HB3 H 1 1.508 0.002 . 1 . . . . A 25 ALA HB3 . 31071 1 186 . 1 . 1 27 27 ALA H H 1 7.800 0.000 . 1 . . . . A 26 ALA H . 31071 1 187 . 1 . 1 27 27 ALA HA H 1 4.201 0.003 . 1 . . . . A 26 ALA HA . 31071 1 188 . 1 . 1 27 27 ALA HB1 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB1 . 31071 1 189 . 1 . 1 27 27 ALA HB2 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB2 . 31071 1 190 . 1 . 1 27 27 ALA HB3 H 1 1.557 0.001 . 1 . . . . A 26 ALA HB3 . 31071 1 191 . 1 . 1 28 28 TYR H H 1 8.311 0.000 . 1 . . . . A 27 TYR H . 31071 1 192 . 1 . 1 28 28 TYR HA H 1 4.364 0.001 . 1 . . . . A 27 TYR HA . 31071 1 193 . 1 . 1 28 28 TYR HB2 H 1 3.346 0.001 . 2 . . . . A 27 TYR HB2 . 31071 1 194 . 1 . 1 28 28 TYR HB3 H 1 3.239 0.001 . 2 . . . . A 27 TYR HB3 . 31071 1 195 . 1 . 1 28 28 TYR HD1 H 1 7.060 0.000 . 1 . . . . A 27 TYR HD1 . 31071 1 196 . 1 . 1 28 28 TYR HD2 H 1 7.060 0.000 . 1 . . . . A 27 TYR HD2 . 31071 1 197 . 1 . 1 28 28 TYR HE1 H 1 6.650 0.000 . 1 . . . . A 27 TYR HE1 . 31071 1 198 . 1 . 1 28 28 TYR HE2 H 1 6.650 0.000 . 1 . . . . A 27 TYR HE2 . 31071 1 199 . 1 . 1 29 29 GLU H H 1 8.652 0.000 . 1 . . . . A 28 GLU H . 31071 1 200 . 1 . 1 29 29 GLU HA H 1 3.591 0.001 . 1 . . . . A 28 GLU HA . 31071 1 201 . 1 . 1 29 29 GLU HB2 H 1 2.094 0.000 . 2 . . . . A 28 GLU HB2 . 31071 1 202 . 1 . 1 29 29 GLU HB3 H 1 2.019 0.000 . 2 . . . . A 28 GLU HB3 . 31071 1 203 . 1 . 1 29 29 GLU HG2 H 1 2.635 0.000 . 2 . . . . A 28 GLU HG2 . 31071 1 204 . 1 . 1 29 29 GLU HG3 H 1 2.381 0.000 . 2 . . . . A 28 GLU HG3 . 31071 1 205 . 1 . 1 30 30 LYS H H 1 7.645 0.001 . 1 . . . . A 29 LYS H . 31071 1 206 . 1 . 1 30 30 LYS HA H 1 4.097 0.001 . 1 . . . . A 29 LYS HA . 31071 1 207 . 1 . 1 30 30 LYS HB2 H 1 1.959 0.000 . 1 . . . . A 29 LYS HB2 . 31071 1 208 . 1 . 1 30 30 LYS HB3 H 1 1.959 0.000 . 1 . . . . A 29 LYS HB3 . 31071 1 209 . 1 . 1 30 30 LYS HG2 H 1 1.591 0.002 . 2 . . . . A 29 LYS HG2 . 31071 1 210 . 1 . 1 30 30 LYS HG3 H 1 1.406 0.001 . 2 . . . . A 29 LYS HG3 . 31071 1 211 . 1 . 1 30 30 LYS HD2 H 1 1.701 0.003 . 1 . . . . A 29 LYS HD2 . 31071 1 212 . 1 . 1 30 30 LYS HD3 H 1 1.701 0.003 . 1 . . . . A 29 LYS HD3 . 31071 1 213 . 1 . 1 30 30 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 29 LYS HE2 . 31071 1 214 . 1 . 1 30 30 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 29 LYS HE3 . 31071 1 215 . 1 . 1 31 31 GLU H H 1 8.249 0.001 . 1 . . . . A 30 GLU H . 31071 1 216 . 1 . 1 31 31 GLU HA H 1 4.062 0.001 . 1 . . . . A 30 GLU HA . 31071 1 217 . 1 . 1 31 31 GLU HB2 H 1 2.121 0.000 . 2 . . . . A 30 GLU HB2 . 31071 1 218 . 1 . 1 31 31 GLU HB3 H 1 1.992 0.000 . 2 . . . . A 30 GLU HB3 . 31071 1 219 . 1 . 1 31 31 GLU HG2 H 1 2.468 0.000 . 2 . . . . A 30 GLU HG2 . 31071 1 220 . 1 . 1 31 31 GLU HG3 H 1 2.245 0.000 . 2 . . . . A 30 GLU HG3 . 31071 1 221 . 1 . 1 32 32 LEU H H 1 9.005 0.000 . 1 . . . . A 31 LEU H . 31071 1 222 . 1 . 1 32 32 LEU HA H 1 3.830 0.001 . 1 . . . . A 31 LEU HA . 31071 1 223 . 1 . 1 32 32 LEU HB2 H 1 1.518 0.000 . 2 . . . . A 31 LEU HB2 . 31071 1 224 . 1 . 1 32 32 LEU HB3 H 1 0.921 0.000 . 2 . . . . A 31 LEU HB3 . 31071 1 225 . 1 . 1 32 32 LEU HG H 1 1.388 0.001 . 1 . . . . A 31 LEU HG . 31071 1 226 . 1 . 1 32 32 LEU HD11 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD11 . 31071 1 227 . 1 . 1 32 32 LEU HD12 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD12 . 31071 1 228 . 1 . 1 32 32 LEU HD13 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD13 . 31071 1 229 . 1 . 1 32 32 LEU HD21 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD21 . 31071 1 230 . 1 . 1 32 32 LEU HD22 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD22 . 31071 1 231 . 1 . 1 32 32 LEU HD23 H 1 0.828 0.000 . 1 . . . . A 31 LEU HD23 . 31071 1 232 . 1 . 1 33 33 ALA H H 1 7.669 0.000 . 1 . . . . A 32 ALA H . 31071 1 233 . 1 . 1 33 33 ALA HA H 1 4.114 0.000 . 1 . . . . A 32 ALA HA . 31071 1 234 . 1 . 1 33 33 ALA HB1 H 1 1.475 0.001 . 1 . . . . A 32 ALA HB1 . 31071 1 235 . 1 . 1 33 33 ALA HB2 H 1 1.475 0.001 . 1 . . . . A 32 ALA HB2 . 31071 1 236 . 1 . 1 33 33 ALA HB3 H 1 1.475 0.001 . 1 . . . . A 32 ALA HB3 . 31071 1 237 . 1 . 1 34 34 ALA H H 1 7.474 0.000 . 1 . . . . A 33 ALA H . 31071 1 238 . 1 . 1 34 34 ALA HA H 1 4.206 0.000 . 1 . . . . A 33 ALA HA . 31071 1 239 . 1 . 1 34 34 ALA HB1 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB1 . 31071 1 240 . 1 . 1 34 34 ALA HB2 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB2 . 31071 1 241 . 1 . 1 34 34 ALA HB3 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB3 . 31071 1 242 . 1 . 1 35 35 TYR H H 1 7.926 0.002 . 1 . . . . A 34 TYR H . 31071 1 243 . 1 . 1 35 35 TYR HA H 1 4.154 0.002 . 1 . . . . A 34 TYR HA . 31071 1 244 . 1 . 1 35 35 TYR HB2 H 1 3.193 0.001 . 2 . . . . A 34 TYR HB2 . 31071 1 245 . 1 . 1 35 35 TYR HB3 H 1 3.061 0.001 . 2 . . . . A 34 TYR HB3 . 31071 1 246 . 1 . 1 35 35 TYR HD1 H 1 7.179 0.000 . 1 . . . . A 34 TYR HD1 . 31071 1 247 . 1 . 1 35 35 TYR HD2 H 1 7.179 0.000 . 1 . . . . A 34 TYR HD2 . 31071 1 248 . 1 . 1 35 35 TYR HE1 H 1 6.773 0.001 . 1 . . . . A 34 TYR HE1 . 31071 1 249 . 1 . 1 35 35 TYR HE2 H 1 6.773 0.001 . 1 . . . . A 34 TYR HE2 . 31071 1 250 . 1 . 1 36 36 NH2 HN1 H 1 7.088 0.000 . 2 . . . . A 35 NH2 HN1 . 31071 1 251 . 1 . 1 36 36 NH2 HN2 H 1 7.150 0.000 . 2 . . . . A 35 NH2 HN2 . 31071 1 stop_ save_