################################### # 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 31086 _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' . . . 31086 1 2 '2D 1H-1H NOESY' . . . 31086 1 3 '2D 1H-1H COSY' . . . 31086 1 4 '2D 1H-13C HSQC' . . . 31086 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 GLY H H 1 7.491 0 . 1 . . . . A 1 GLY H1 . 31086 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.445 0 . 2 . . . . A 1 GLY HA2 . 31086 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.663 0 . 2 . . . . A 1 GLY HA3 . 31086 1 4 . 1 . 1 2 2 GLY H H 1 9.262 0 . 1 . . . . A 2 GLY H . 31086 1 5 . 1 . 1 2 2 GLY HA2 H 1 4.446 0 . 2 . . . . A 2 GLY HA2 . 31086 1 6 . 1 . 1 2 2 GLY HA3 H 1 3.722 0 . 2 . . . . A 2 GLY HA3 . 31086 1 7 . 1 . 1 3 3 GLY H H 1 8.250 0 . 1 . . . . A 3 GLY H . 31086 1 8 . 1 . 1 3 3 GLY HA2 H 1 4.332 0 . 2 . . . . A 3 GLY HA2 . 31086 1 9 . 1 . 1 3 3 GLY HA3 H 1 3.619 0 . 2 . . . . A 3 GLY HA3 . 31086 1 10 . 1 . 1 4 4 GLY H H 1 7.718 0 . 1 . . . . A 4 GLY H . 31086 1 11 . 1 . 1 4 4 GLY HA2 H 1 4.487 0 . 2 . . . . A 4 GLY HA2 . 31086 1 12 . 1 . 1 4 4 GLY HA3 H 1 3.578 0 . 2 . . . . A 4 GLY HA3 . 31086 1 13 . 1 . 1 5 5 PRO HA H 1 4.591 0 . 1 . . . . A 5 PRO HA . 31086 1 14 . 1 . 1 5 5 PRO HB2 H 1 2.239 0 . 2 . . . . A 5 PRO HB2 . 31086 1 15 . 1 . 1 5 5 PRO HB3 H 1 2.039 0 . 2 . . . . A 5 PRO HB3 . 31086 1 16 . 1 . 1 5 5 PRO HG2 H 1 2.132 0 . 2 . . . . A 5 PRO HG2 . 31086 1 17 . 1 . 1 5 5 PRO HG3 H 1 1.981 0 . 2 . . . . A 5 PRO HG3 . 31086 1 18 . 1 . 1 5 5 PRO HD2 H 1 3.406 0 . 2 . . . . A 5 PRO HD2 . 31086 1 19 . 1 . 1 5 5 PRO HD3 H 1 3.406 0 . 2 . . . . A 5 PRO HD3 . 31086 1 20 . 1 . 1 6 6 THR H H 1 7.716 0 . 1 . . . . A 6 THR H . 31086 1 21 . 1 . 1 6 6 THR HA H 1 4.644 0 . 1 . . . . A 6 THR HA . 31086 1 22 . 1 . 1 6 6 THR HB H 1 3.301 0 . 1 . . . . A 6 THR HB . 31086 1 23 . 1 . 1 6 6 THR HG21 H 1 1.228 0 . 1 . . . . A 6 THR HG21 . 31086 1 24 . 1 . 1 6 6 THR HG22 H 1 1.228 0 . 1 . . . . A 6 THR HG22 . 31086 1 25 . 1 . 1 6 6 THR HG23 H 1 1.228 0 . 1 . . . . A 6 THR HG23 . 31086 1 26 . 1 . 1 7 7 PRO HA H 1 4.506 0 . 1 . . . . A 7 PRO HA . 31086 1 27 . 1 . 1 7 7 PRO HB2 H 1 2.154 0 . 2 . . . . A 7 PRO HB2 . 31086 1 28 . 1 . 1 7 7 PRO HB3 H 1 1.560 0 . 2 . . . . A 7 PRO HB3 . 31086 1 29 . 1 . 1 7 7 PRO HG2 H 1 2.063 0 . 2 . . . . A 7 PRO HG2 . 31086 1 30 . 1 . 1 7 7 PRO HG3 H 1 1.825 0 . 2 . . . . A 7 PRO HG3 . 31086 1 31 . 1 . 1 7 7 PRO HD2 H 1 4.039 0 . 2 . . . . A 7 PRO HD2 . 31086 1 32 . 1 . 1 7 7 PRO HD3 H 1 3.573 0 . 2 . . . . A 7 PRO HD3 . 31086 1 33 . 1 . 1 8 8 GLU H H 1 8.594 0 . 1 . . . . A 8 GLU H . 31086 1 34 . 1 . 1 8 8 GLU HA H 1 4.100 0 . 1 . . . . A 8 GLU HA . 31086 1 35 . 1 . 1 8 8 GLU HB2 H 1 1.626 0 . 2 . . . . A 8 GLU HB2 . 31086 1 36 . 1 . 1 8 8 GLU HB3 H 1 1.626 0 . 2 . . . . A 8 GLU HB3 . 31086 1 37 . 1 . 1 8 8 GLU HG2 H 1 1.880 0 . 2 . . . . A 8 GLU HG2 . 31086 1 38 . 1 . 1 8 8 GLU HG3 H 1 1.880 0 . 2 . . . . A 8 GLU HG3 . 31086 1 39 . 1 . 1 9 9 TYR H H 1 7.724 0 . 1 . . . . A 9 TYR H . 31086 1 40 . 1 . 1 9 9 TYR HA H 1 4.468 0 . 1 . . . . A 9 TYR HA . 31086 1 41 . 1 . 1 9 9 TYR HB2 H 1 2.915 0 . 2 . . . . A 9 TYR HB2 . 31086 1 42 . 1 . 1 9 9 TYR HB3 H 1 2.915 0 . 2 . . . . A 9 TYR HB3 . 31086 1 43 . 1 . 1 9 9 TYR HD1 H 1 6.981 0 . 3 . . . . A 9 TYR HD1 . 31086 1 44 . 1 . 1 9 9 TYR HD2 H 1 6.981 0 . 3 . . . . A 9 TYR HD2 . 31086 1 45 . 1 . 1 9 9 TYR HE1 H 1 6.682 0 . 3 . . . . A 9 TYR HE1 . 31086 1 46 . 1 . 1 9 9 TYR HE2 H 1 6.682 0 . 3 . . . . A 9 TYR HE2 . 31086 1 47 . 1 . 1 10 10 PHE H H 1 7.867 0 . 1 . . . . A 10 PHE H . 31086 1 48 . 1 . 1 10 10 PHE HA H 1 4.469 0 . 1 . . . . A 10 PHE HA . 31086 1 49 . 1 . 1 10 10 PHE HB2 H 1 3.127 0 . 2 . . . . A 10 PHE HB2 . 31086 1 50 . 1 . 1 10 10 PHE HB3 H 1 3.066 0 . 2 . . . . A 10 PHE HB3 . 31086 1 51 . 1 . 1 10 10 PHE HD1 H 1 7.210 0 . 3 . . . . A 10 PHE HD1 . 31086 1 52 . 1 . 1 10 10 PHE HD2 H 1 7.210 0 . 3 . . . . A 10 PHE HD2 . 31086 1 53 . 1 . 1 11 11 LEU H H 1 7.826 0 . 1 . . . . A 11 LEU H . 31086 1 54 . 1 . 1 11 11 LEU HA H 1 4.392 0 . 1 . . . . A 11 LEU HA . 31086 1 55 . 1 . 1 11 11 LEU HB2 H 1 1.596 0 . 2 . . . . A 11 LEU HB2 . 31086 1 56 . 1 . 1 11 11 LEU HB3 H 1 1.549 0 . 2 . . . . A 11 LEU HB3 . 31086 1 57 . 1 . 1 11 11 LEU HG H 1 1.501 0 . 1 . . . . A 11 LEU HG . 31086 1 58 . 1 . 1 11 11 LEU HD11 H 1 0.800 0 . 2 . . . . A 11 LEU HD11 . 31086 1 59 . 1 . 1 11 11 LEU HD12 H 1 0.800 0 . 2 . . . . A 11 LEU HD12 . 31086 1 60 . 1 . 1 11 11 LEU HD13 H 1 0.800 0 . 2 . . . . A 11 LEU HD13 . 31086 1 61 . 1 . 1 11 11 LEU HD21 H 1 0.767 0 . 2 . . . . A 11 LEU HD21 . 31086 1 62 . 1 . 1 11 11 LEU HD22 H 1 0.767 0 . 2 . . . . A 11 LEU HD22 . 31086 1 63 . 1 . 1 11 11 LEU HD23 H 1 0.767 0 . 2 . . . . A 11 LEU HD23 . 31086 1 64 . 1 . 1 12 12 MET H H 1 7.900 0 . 1 . . . . A 12 MET H . 31086 1 65 . 1 . 1 12 12 MET HA H 1 4.698 0 . 1 . . . . A 12 MET HA . 31086 1 66 . 1 . 1 12 12 MET HB2 H 1 2.046 0 . 2 . . . . A 12 MET HB2 . 31086 1 67 . 1 . 1 12 12 MET HB3 H 1 1.947 0 . 2 . . . . A 12 MET HB3 . 31086 1 68 . 1 . 1 12 12 MET HG2 H 1 2.553 0 . 2 . . . . A 12 MET HG2 . 31086 1 69 . 1 . 1 12 12 MET HG3 H 1 2.486 0 . 2 . . . . A 12 MET HG3 . 31086 1 70 . 1 . 1 12 12 MET HE1 H 1 2.026 0 . 1 . . . . A 12 MET HE1 . 31086 1 71 . 1 . 1 12 12 MET HE2 H 1 2.026 0 . 1 . . . . A 12 MET HE2 . 31086 1 72 . 1 . 1 12 12 MET HE3 H 1 2.026 0 . 1 . . . . A 12 MET HE3 . 31086 1 73 . 1 . 1 13 13 PRO HA H 1 4.404 0 . 1 . . . . A 13 PRO HA . 31086 1 74 . 1 . 1 13 13 PRO HB2 H 1 2.096 0 . 2 . . . . A 13 PRO HB2 . 31086 1 75 . 1 . 1 13 13 PRO HB3 H 1 2.096 0 . 2 . . . . A 13 PRO HB3 . 31086 1 76 . 1 . 1 13 13 PRO HG2 H 1 1.984 0 . 2 . . . . A 13 PRO HG2 . 31086 1 77 . 1 . 1 13 13 PRO HG3 H 1 1.907 0 . 2 . . . . A 13 PRO HG3 . 31086 1 78 . 1 . 1 13 13 PRO HD2 H 1 3.709 0 . 2 . . . . A 13 PRO HD2 . 31086 1 79 . 1 . 1 13 13 PRO HD3 H 1 3.636 0 . 2 . . . . A 13 PRO HD3 . 31086 1 80 . 1 . 1 14 14 ILE H H 1 7.687 0 . 1 . . . . A 14 ILE H . 31086 1 81 . 1 . 1 14 14 ILE HA H 1 4.192 0 . 1 . . . . A 14 ILE HA . 31086 1 82 . 1 . 1 14 14 ILE HB H 1 1.883 0 . 1 . . . . A 14 ILE HB . 31086 1 83 . 1 . 1 14 14 ILE HG12 H 1 1.495 0 . 2 . . . . A 14 ILE HG12 . 31086 1 84 . 1 . 1 14 14 ILE HG13 H 1 1.495 0 . 2 . . . . A 14 ILE HG13 . 31086 1 85 . 1 . 1 14 14 ILE HG21 H 1 1.169 0 . 1 . . . . A 14 ILE HG21 . 31086 1 86 . 1 . 1 14 14 ILE HG22 H 1 1.169 0 . 1 . . . . A 14 ILE HG22 . 31086 1 87 . 1 . 1 14 14 ILE HG23 H 1 1.169 0 . 1 . . . . A 14 ILE HG23 . 31086 1 88 . 1 . 1 14 14 ILE HD11 H 1 0.913 0 . 1 . . . . A 14 ILE HD11 . 31086 1 89 . 1 . 1 14 14 ILE HD12 H 1 0.913 0 . 1 . . . . A 14 ILE HD12 . 31086 1 90 . 1 . 1 14 14 ILE HD13 H 1 0.913 0 . 1 . . . . A 14 ILE HD13 . 31086 1 91 . 1 . 1 15 15 ASP H H 1 8.055 0 . 1 . . . . A 15 ASP H . 31086 1 92 . 1 . 1 15 15 ASP HA H 1 4.947 0 . 1 . . . . A 15 ASP HA . 31086 1 93 . 1 . 1 15 15 ASP HB2 H 1 2.899 0 . 2 . . . . A 15 ASP HB2 . 31086 1 94 . 1 . 1 15 15 ASP HB3 H 1 2.684 0 . 2 . . . . A 15 ASP HB3 . 31086 1 95 . 1 . 1 16 16 PRO HA H 1 4.353 0 . 1 . . . . A 16 PRO HA . 31086 1 96 . 1 . 1 16 16 PRO HB2 H 1 2.280 0 . 2 . . . . A 16 PRO HB2 . 31086 1 97 . 1 . 1 16 16 PRO HB3 H 1 2.280 0 . 2 . . . . A 16 PRO HB3 . 31086 1 98 . 1 . 1 16 16 PRO HG2 H 1 2.000 0 . 2 . . . . A 16 PRO HG2 . 31086 1 99 . 1 . 1 16 16 PRO HG3 H 1 1.881 0 . 2 . . . . A 16 PRO HG3 . 31086 1 100 . 1 . 1 16 16 PRO HD2 H 1 3.949 0 . 2 . . . . A 16 PRO HD2 . 31086 1 101 . 1 . 1 16 16 PRO HD3 H 1 3.836 0 . 2 . . . . A 16 PRO HD3 . 31086 1 102 . 1 . 1 17 17 ALA H H 1 8.109 0 . 1 . . . . A 17 ALA H . 31086 1 103 . 1 . 1 17 17 ALA HA H 1 4.186 0 . 1 . . . . A 17 ALA HA . 31086 1 104 . 1 . 1 18 18 TRP H H 1 7.733 0 . 1 . . . . A 18 TRP H . 31086 1 105 . 1 . 1 18 18 TRP HA H 1 4.402 0 . 1 . . . . A 18 TRP HA . 31086 1 106 . 1 . 1 18 18 TRP HB2 H 1 3.402 0 . 2 . . . . A 18 TRP HB2 . 31086 1 107 . 1 . 1 18 18 TRP HB3 H 1 3.310 0 . 2 . . . . A 18 TRP HB3 . 31086 1 108 . 1 . 1 18 18 TRP HD1 H 1 7.232 0 . 1 . . . . A 18 TRP HD1 . 31086 1 109 . 1 . 1 18 18 TRP HE1 H 1 10.390 0 . 1 . . . . A 18 TRP HE1 . 31086 1 110 . 1 . 1 18 18 TRP HE3 H 1 7.497 0 . 1 . . . . A 18 TRP HE3 . 31086 1 111 . 1 . 1 18 18 TRP HZ2 H 1 7.109 0 . 1 . . . . A 18 TRP HZ2 . 31086 1 112 . 1 . 1 18 18 TRP HZ3 H 1 7.024 0 . 1 . . . . A 18 TRP HZ3 . 31086 1 113 . 1 . 1 18 18 TRP HH2 H 1 7.360 0 . 1 . . . . A 18 TRP HH2 . 31086 1 114 . 1 . 1 19 19 LEU H H 1 7.621 0 . 1 . . . . A 19 LEU H . 31086 1 115 . 1 . 1 19 19 LEU HA H 1 4.076 0 . 1 . . . . A 19 LEU HA . 31086 1 116 . 1 . 1 19 19 LEU HG H 1 1.582 0 . 1 . . . . A 19 LEU HG . 31086 1 117 . 1 . 1 19 19 LEU HD11 H 1 0.930 0 . 2 . . . . A 19 LEU HD11 . 31086 1 118 . 1 . 1 19 19 LEU HD12 H 1 0.930 0 . 2 . . . . A 19 LEU HD12 . 31086 1 119 . 1 . 1 19 19 LEU HD13 H 1 0.930 0 . 2 . . . . A 19 LEU HD13 . 31086 1 120 . 1 . 1 19 19 LEU HD21 H 1 0.867 0 . 2 . . . . A 19 LEU HD21 . 31086 1 121 . 1 . 1 19 19 LEU HD22 H 1 0.867 0 . 2 . . . . A 19 LEU HD22 . 31086 1 122 . 1 . 1 19 19 LEU HD23 H 1 0.867 0 . 2 . . . . A 19 LEU HD23 . 31086 1 123 . 1 . 1 20 20 GLN H H 1 7.965 0 . 1 . . . . A 20 GLN H . 31086 1 124 . 1 . 1 20 20 GLN HA H 1 4.072 0 . 1 . . . . A 20 GLN HA . 31086 1 125 . 1 . 1 20 20 GLN HB2 H 1 2.098 0 . 2 . . . . A 20 GLN HB2 . 31086 1 126 . 1 . 1 20 20 GLN HB3 H 1 2.098 0 . 2 . . . . A 20 GLN HB3 . 31086 1 127 . 1 . 1 20 20 GLN HG2 H 1 2.374 0 . 2 . . . . A 20 GLN HG2 . 31086 1 128 . 1 . 1 20 20 GLN HG3 H 1 2.340 0 . 2 . . . . A 20 GLN HG3 . 31086 1 129 . 1 . 1 20 20 GLN HE21 H 1 7.528 0 . 2 . . . . A 20 GLN HE21 . 31086 1 130 . 1 . 1 20 20 GLN HE22 H 1 6.844 0 . 2 . . . . A 20 GLN HE22 . 31086 1 131 . 1 . 1 21 21 ALA H H 1 7.817 0 . 1 . . . . A 21 ALA H . 31086 1 132 . 1 . 1 21 21 ALA HA H 1 4.187 0 . 1 . . . . A 21 ALA HA . 31086 1 133 . 1 . 1 21 21 ALA HB1 H 1 1.393 0 . 1 . . . . A 21 ALA HB1 . 31086 1 134 . 1 . 1 21 21 ALA HB2 H 1 1.393 0 . 1 . . . . A 21 ALA HB2 . 31086 1 135 . 1 . 1 21 21 ALA HB3 H 1 1.393 0 . 1 . . . . A 21 ALA HB3 . 31086 1 136 . 1 . 1 22 22 ASN H H 1 7.809 0 . 1 . . . . A 22 ASN H . 31086 1 137 . 1 . 1 22 22 ASN HA H 1 4.684 0 . 1 . . . . A 22 ASN HA . 31086 1 138 . 1 . 1 22 22 ASN HB2 H 1 2.752 0 . 2 . . . . A 22 ASN HB2 . 31086 1 139 . 1 . 1 22 22 ASN HB3 H 1 2.483 0 . 2 . . . . A 22 ASN HB3 . 31086 1 140 . 1 . 1 22 22 ASN HD21 H 1 7.284 0 . 2 . . . . A 22 ASN HD21 . 31086 1 141 . 1 . 1 22 22 ASN HD22 H 1 6.590 0 . 2 . . . . A 22 ASN HD22 . 31086 1 142 . 1 . 1 23 23 LEU H H 1 7.783 0 . 1 . . . . A 23 LEU H . 31086 1 143 . 1 . 1 23 23 LEU HA H 1 4.647 0 . 1 . . . . A 23 LEU HA . 31086 1 144 . 1 . 1 23 23 LEU HB2 H 1 1.770 0 . 2 . . . . A 23 LEU HB2 . 31086 1 145 . 1 . 1 23 23 LEU HB3 H 1 1.564 0 . 2 . . . . A 23 LEU HB3 . 31086 1 146 . 1 . 1 23 23 LEU HG H 1 1.705 0 . 1 . . . . A 23 LEU HG . 31086 1 147 . 1 . 1 23 23 LEU HD11 H 1 0.929 0 . 2 . . . . A 23 LEU HD11 . 31086 1 148 . 1 . 1 23 23 LEU HD12 H 1 0.929 0 . 2 . . . . A 23 LEU HD12 . 31086 1 149 . 1 . 1 23 23 LEU HD13 H 1 0.929 0 . 2 . . . . A 23 LEU HD13 . 31086 1 150 . 1 . 1 23 23 LEU HD21 H 1 0.929 0 . 2 . . . . A 23 LEU HD21 . 31086 1 151 . 1 . 1 23 23 LEU HD22 H 1 0.929 0 . 2 . . . . A 23 LEU HD22 . 31086 1 152 . 1 . 1 23 23 LEU HD23 H 1 0.929 0 . 2 . . . . A 23 LEU HD23 . 31086 1 153 . 1 . 1 24 24 PRO HA H 1 4.425 0 . 1 . . . . A 24 PRO HA . 31086 1 154 . 1 . 1 24 24 PRO HB2 H 1 2.286 0 . 2 . . . . A 24 PRO HB2 . 31086 1 155 . 1 . 1 24 24 PRO HG2 H 1 2.042 0 . 2 . . . . A 24 PRO HG2 . 31086 1 156 . 1 . 1 24 24 PRO HD2 H 1 3.754 0 . 2 . . . . A 24 PRO HD2 . 31086 1 157 . 1 . 1 24 24 PRO HD3 H 1 3.640 0 . 2 . . . . A 24 PRO HD3 . 31086 1 158 . 1 . 1 25 25 ASN H H 1 8.316 0 . 1 . . . . A 25 ASN H . 31086 1 159 . 1 . 1 25 25 ASN HA H 1 4.714 0 . 1 . . . . A 25 ASN HA . 31086 1 160 . 1 . 1 25 25 ASN HB2 H 1 2.813 0 . 2 . . . . A 25 ASN HB2 . 31086 1 161 . 1 . 1 25 25 ASN HB3 H 1 2.813 0 . 2 . . . . A 25 ASN HB3 . 31086 1 162 . 1 . 1 25 25 ASN HD21 H 1 7.658 0 . 2 . . . . A 25 ASN HD21 . 31086 1 163 . 1 . 1 25 25 ASN HD22 H 1 6.956 0 . 2 . . . . A 25 ASN HD22 . 31086 1 164 . 1 . 1 26 26 THR H H 1 7.557 0 . 1 . . . . A 26 THR H . 31086 1 165 . 1 . 1 26 26 THR HA H 1 4.449 0 . 1 . . . . A 26 THR HA . 31086 1 166 . 1 . 1 26 26 THR HB H 1 4.197 0 . 1 . . . . A 26 THR HB . 31086 1 167 . 1 . 1 26 26 THR HG21 H 1 1.177 0 . 1 . . . . A 26 THR HG21 . 31086 1 168 . 1 . 1 26 26 THR HG22 H 1 1.177 0 . 1 . . . . A 26 THR HG22 . 31086 1 169 . 1 . 1 26 26 THR HG23 H 1 1.177 0 . 1 . . . . A 26 THR HG23 . 31086 1 170 . 1 . 1 27 27 GLY H H 1 8.336 0 . 1 . . . . A 27 GLY H . 31086 1 171 . 1 . 1 27 27 GLY HA2 H 1 4.042 0 . 2 . . . . A 27 GLY HA2 . 31086 1 172 . 1 . 1 27 27 GLY HA3 H 1 3.941 0 . 2 . . . . A 27 GLY HA3 . 31086 1 173 . 1 . 1 28 28 LYS H H 1 8.316 0 . 1 . . . . A 28 LYS H . 31086 1 174 . 1 . 1 28 28 LYS HA H 1 5.206 0 . 1 . . . . A 28 LYS HA . 31086 1 175 . 1 . 1 28 28 LYS HB2 H 1 1.716 0 . 2 . . . . A 28 LYS HB2 . 31086 1 176 . 1 . 1 28 28 LYS HB3 H 1 1.626 0 . 2 . . . . A 28 LYS HB3 . 31086 1 177 . 1 . 1 28 28 LYS HG2 H 1 1.174 0 . 2 . . . . A 28 LYS HG2 . 31086 1 178 . 1 . 1 28 28 LYS HG3 H 1 1.174 0 . 2 . . . . A 28 LYS HG3 . 31086 1 179 . 1 . 1 28 28 LYS HD2 H 1 1.508 0 . 2 . . . . A 28 LYS HD2 . 31086 1 180 . 1 . 1 28 28 LYS HD3 H 1 1.410 0 . 2 . . . . A 28 LYS HD3 . 31086 1 181 . 1 . 1 28 28 LYS HE2 H 1 2.980 0 . 2 . . . . A 28 LYS HE2 . 31086 1 182 . 1 . 1 28 28 LYS HE3 H 1 2.938 0 . 2 . . . . A 28 LYS HE3 . 31086 1 183 . 1 . 1 29 29 TYR H H 1 9.235 0 . 1 . . . . A 29 TYR H . 31086 1 184 . 1 . 1 29 29 TYR HA H 1 4.914 0 . 1 . . . . A 29 TYR HA . 31086 1 185 . 1 . 1 29 29 TYR HB2 H 1 3.108 0 . 2 . . . . A 29 TYR HB2 . 31086 1 186 . 1 . 1 29 29 TYR HB3 H 1 2.998 0 . 2 . . . . A 29 TYR HB3 . 31086 1 187 . 1 . 1 29 29 TYR HD1 H 1 7.011 0 . 3 . . . . A 29 TYR HD1 . 31086 1 188 . 1 . 1 29 29 TYR HD2 H 1 7.011 0 . 3 . . . . A 29 TYR HD2 . 31086 1 189 . 1 . 1 29 29 TYR HE1 H 1 6.734 0 . 3 . . . . A 29 TYR HE1 . 31086 1 190 . 1 . 1 29 29 TYR HE2 H 1 6.734 0 . 3 . . . . A 29 TYR HE2 . 31086 1 191 . 1 . 1 30 30 ASN H H 1 8.087 0 . 1 . . . . A 30 ASN H . 31086 1 192 . 1 . 1 30 30 ASN HA H 1 4.845 0 . 1 . . . . A 30 ASN HA . 31086 1 193 . 1 . 1 30 30 ASN HB2 H 1 2.859 0 . 2 . . . . A 30 ASN HB2 . 31086 1 194 . 1 . 1 30 30 ASN HB3 H 1 2.741 0 . 2 . . . . A 30 ASN HB3 . 31086 1 195 . 1 . 1 30 30 ASN HD21 H 1 7.576 0 . 2 . . . . A 30 ASN HD21 . 31086 1 196 . 1 . 1 30 30 ASN HD22 H 1 6.804 0 . 2 . . . . A 30 ASN HD22 . 31086 1 stop_ save_