################################### # 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 34237 _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' . . . 34237 1 2 '2D 1H-1H NOESY' . . . 34237 1 3 '2D DQF-COSY' . . . 34237 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 THR HA H 1 4.14 0.01 . 1 . . . . A 2 THR HA . 34237 1 2 . 1 . 1 1 1 THR HB H 1 4.57 0.01 . 1 . . . . A 2 THR HB . 34237 1 3 . 1 . 1 1 1 THR HG21 H 1 1.46 0.01 . 1 . . . . A 2 THR HG21 . 34237 1 4 . 1 . 1 1 1 THR HG22 H 1 1.46 0.01 . 1 . . . . A 2 THR HG22 . 34237 1 5 . 1 . 1 1 1 THR HG23 H 1 1.46 0.01 . 1 . . . . A 2 THR HG23 . 34237 1 6 . 1 . 1 2 2 LYS H H 1 8.94 0.01 . 1 . . . . A 3 LYS H . 34237 1 7 . 1 . 1 2 2 LYS HA H 1 4.30 0.01 . 1 . . . . A 3 LYS HA . 34237 1 8 . 1 . 1 2 2 LYS HB2 H 1 1.93 0.01 . 2 . . . . A 3 LYS HB2 . 34237 1 9 . 1 . 1 2 2 LYS HB3 H 1 1.89 0.01 . 2 . . . . A 3 LYS HB3 . 34237 1 10 . 1 . 1 2 2 LYS HG2 H 1 1.56 0.01 . 2 . . . . A 3 LYS HG2 . 34237 1 11 . 1 . 1 2 2 LYS HG3 H 1 1.53 0.01 . 2 . . . . A 3 LYS HG3 . 34237 1 12 . 1 . 1 2 2 LYS HD2 H 1 1.76 0.01 . 1 . . . . A 3 LYS HD2 . 34237 1 13 . 1 . 1 2 2 LYS HD3 H 1 1.76 0.01 . 1 . . . . A 3 LYS HD3 . 34237 1 14 . 1 . 1 2 2 LYS HE2 H 1 3.04 0.01 . 1 . . . . A 3 LYS HE2 . 34237 1 15 . 1 . 1 2 2 LYS HE3 H 1 3.04 0.01 . 1 . . . . A 3 LYS HE3 . 34237 1 16 . 1 . 1 3 3 LEU H H 1 7.87 0.01 . 1 . . . . A 4 LEU H . 34237 1 17 . 1 . 1 3 3 LEU HA H 1 4.40 0.01 . 1 . . . . A 4 LEU HA . 34237 1 18 . 1 . 1 3 3 LEU HB2 H 1 1.70 0.01 . 2 . . . . A 4 LEU HB2 . 34237 1 19 . 1 . 1 3 3 LEU HB3 H 1 1.67 0.01 . 2 . . . . A 4 LEU HB3 . 34237 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD11 . 34237 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD12 . 34237 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD13 . 34237 1 23 . 1 . 1 3 3 LEU HD21 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD21 . 34237 1 24 . 1 . 1 3 3 LEU HD22 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD22 . 34237 1 25 . 1 . 1 3 3 LEU HD23 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD23 . 34237 1 26 . 1 . 1 4 4 THR H H 1 7.76 0.01 . 1 . . . . A 5 THR H . 34237 1 27 . 1 . 1 4 4 THR HA H 1 4.24 0.01 . 1 . . . . A 5 THR HA . 34237 1 28 . 1 . 1 4 4 THR HB H 1 4.49 0.01 . 1 . . . . A 5 THR HB . 34237 1 29 . 1 . 1 4 4 THR HG21 H 1 1.34 0.01 . 1 . . . . A 5 THR HG21 . 34237 1 30 . 1 . 1 4 4 THR HG22 H 1 1.34 0.01 . 1 . . . . A 5 THR HG22 . 34237 1 31 . 1 . 1 4 4 THR HG23 H 1 1.34 0.01 . 1 . . . . A 5 THR HG23 . 34237 1 32 . 1 . 1 5 5 GLU H H 1 8.28 0.01 . 1 . . . . A 6 GLU H . 34237 1 33 . 1 . 1 5 5 GLU HA H 1 4.13 0.01 . 1 . . . . A 6 GLU HA . 34237 1 34 . 1 . 1 5 5 GLU HB2 H 1 2.23 0.01 . 1 . . . . A 6 GLU HB2 . 34237 1 35 . 1 . 1 5 5 GLU HB3 H 1 2.23 0.01 . 1 . . . . A 6 GLU HB3 . 34237 1 36 . 1 . 1 5 5 GLU HG2 H 1 2.56 0.01 . 1 . . . . A 6 GLU HG2 . 34237 1 37 . 1 . 1 5 5 GLU HG3 H 1 2.56 0.01 . 1 . . . . A 6 GLU HG3 . 34237 1 38 . 1 . 1 6 6 GLU H H 1 8.32 0.01 . 1 . . . . A 7 GLU H . 34237 1 39 . 1 . 1 6 6 GLU HA H 1 4.18 0.01 . 1 . . . . A 7 GLU HA . 34237 1 40 . 1 . 1 6 6 GLU HB2 H 1 2.31 0.01 . 2 . . . . A 7 GLU HB2 . 34237 1 41 . 1 . 1 6 6 GLU HB3 H 1 2.19 0.01 . 2 . . . . A 7 GLU HB3 . 34237 1 42 . 1 . 1 6 6 GLU HG2 H 1 2.61 0.01 . 2 . . . . A 7 GLU HG2 . 34237 1 43 . 1 . 1 6 6 GLU HG3 H 1 2.55 0.01 . 2 . . . . A 7 GLU HG3 . 34237 1 44 . 1 . 1 7 7 GLU H H 1 8.22 0.01 . 1 . . . . A 8 GLU H . 34237 1 45 . 1 . 1 7 7 GLU HA H 1 4.10 0.01 . 1 . . . . A 8 GLU HA . 34237 1 46 . 1 . 1 7 7 GLU HB2 H 1 2.49 0.01 . 2 . . . . A 8 GLU HB2 . 34237 1 47 . 1 . 1 7 7 GLU HB3 H 1 2.36 0.01 . 2 . . . . A 8 GLU HB3 . 34237 1 48 . 1 . 1 7 7 GLU HG2 H 1 2.62 0.01 . 1 . . . . A 8 GLU HG2 . 34237 1 49 . 1 . 1 7 7 GLU HG3 H 1 2.62 0.01 . 1 . . . . A 8 GLU HG3 . 34237 1 50 . 1 . 1 8 8 LYS H H 1 8.35 0.01 . 1 . . . . A 9 LYS H . 34237 1 51 . 1 . 1 8 8 LYS HA H 1 4.00 0.01 . 1 . . . . A 9 LYS HA . 34237 1 52 . 1 . 1 8 8 LYS HB2 H 1 1.99 0.01 . 1 . . . . A 9 LYS HB2 . 34237 1 53 . 1 . 1 8 8 LYS HB3 H 1 1.99 0.01 . 1 . . . . A 9 LYS HB3 . 34237 1 54 . 1 . 1 8 8 LYS HG2 H 1 1.46 0.01 . 2 . . . . A 9 LYS HG2 . 34237 1 55 . 1 . 1 8 8 LYS HG3 H 1 1.48 0.01 . 2 . . . . A 9 LYS HG3 . 34237 1 56 . 1 . 1 8 8 LYS HD2 H 1 1.75 0.01 . 1 . . . . A 9 LYS HD2 . 34237 1 57 . 1 . 1 8 8 LYS HD3 H 1 1.75 0.01 . 1 . . . . A 9 LYS HD3 . 34237 1 58 . 1 . 1 8 8 LYS HE2 H 1 2.99 0.01 . 1 . . . . A 9 LYS HE2 . 34237 1 59 . 1 . 1 8 8 LYS HE3 H 1 2.99 0.01 . 1 . . . . A 9 LYS HE3 . 34237 1 60 . 1 . 1 9 9 ASN H H 1 8.23 0.01 . 1 . . . . A 10 ASN H . 34237 1 61 . 1 . 1 9 9 ASN HA H 1 4.57 0.01 . 1 . . . . A 10 ASN HA . 34237 1 62 . 1 . 1 9 9 ASN HB2 H 1 3.02 0.01 . 2 . . . . A 10 ASN HB2 . 34237 1 63 . 1 . 1 9 9 ASN HB3 H 1 2.88 0.01 . 2 . . . . A 10 ASN HB3 . 34237 1 64 . 1 . 1 9 9 ASN HD21 H 1 7.43 0.01 . 2 . . . . A 10 ASN HD21 . 34237 1 65 . 1 . 1 9 9 ASN HD22 H 1 6.74 0.01 . 2 . . . . A 10 ASN HD22 . 34237 1 66 . 1 . 1 10 10 ARG H H 1 8.18 0.01 . 1 . . . . A 11 ARG H . 34237 1 67 . 1 . 1 10 10 ARG HA H 1 4.21 0.01 . 1 . . . . A 11 ARG HA . 34237 1 68 . 1 . 1 10 10 ARG HB2 H 1 2.09 0.01 . 2 . . . . A 11 ARG HB2 . 34237 1 69 . 1 . 1 10 10 ARG HB3 H 1 2.07 0.01 . 2 . . . . A 11 ARG HB3 . 34237 1 70 . 1 . 1 10 10 ARG HG2 H 1 1.92 0.01 . 2 . . . . A 11 ARG HG2 . 34237 1 71 . 1 . 1 10 10 ARG HG3 H 1 1.74 0.01 . 2 . . . . A 11 ARG HG3 . 34237 1 72 . 1 . 1 10 10 ARG HD2 H 1 3.27 0.01 . 1 . . . . A 11 ARG HD2 . 34237 1 73 . 1 . 1 10 10 ARG HD3 H 1 3.27 0.01 . 1 . . . . A 11 ARG HD3 . 34237 1 74 . 1 . 1 10 10 ARG HE H 1 7.15 0.01 . 1 . . . . A 11 ARG HE . 34237 1 75 . 1 . 1 11 11 LEU H H 1 8.43 0.01 . 1 . . . . A 12 LEU H . 34237 1 76 . 1 . 1 11 11 LEU HA H 1 4.22 0.01 . 1 . . . . A 12 LEU HA . 34237 1 77 . 1 . 1 11 11 LEU HB2 H 1 1.95 0.01 . 2 . . . . A 12 LEU HB2 . 34237 1 78 . 1 . 1 11 11 LEU HB3 H 1 1.93 0.01 . 2 . . . . A 12 LEU HB3 . 34237 1 79 . 1 . 1 11 11 LEU HG H 1 1.66 0.01 . 1 . . . . A 12 LEU HG . 34237 1 80 . 1 . 1 11 11 LEU HD11 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD11 . 34237 1 81 . 1 . 1 11 11 LEU HD12 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD12 . 34237 1 82 . 1 . 1 11 11 LEU HD13 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD13 . 34237 1 83 . 1 . 1 11 11 LEU HD21 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD21 . 34237 1 84 . 1 . 1 11 11 LEU HD22 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD22 . 34237 1 85 . 1 . 1 11 11 LEU HD23 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD23 . 34237 1 86 . 1 . 1 12 12 ASN H H 1 8.31 0.01 . 1 . . . . A 13 ASN H . 34237 1 87 . 1 . 1 12 12 ASN HA H 1 4.52 0.01 . 1 . . . . A 13 ASN HA . 34237 1 88 . 1 . 1 12 12 ASN HB2 H 1 3.05 0.01 . 2 . . . . A 13 ASN HB2 . 34237 1 89 . 1 . 1 12 12 ASN HB3 H 1 2.87 0.01 . 2 . . . . A 13 ASN HB3 . 34237 1 90 . 1 . 1 12 12 ASN HD21 H 1 7.67 0.01 . 2 . . . . A 13 ASN HD21 . 34237 1 91 . 1 . 1 12 12 ASN HD22 H 1 6.77 0.01 . 2 . . . . A 13 ASN HD22 . 34237 1 92 . 1 . 1 13 13 PHE H H 1 8.15 0.01 . 1 . . . . A 14 PHE H . 34237 1 93 . 1 . 1 13 13 PHE HA H 1 4.34 0.01 . 1 . . . . A 14 PHE HA . 34237 1 94 . 1 . 1 13 13 PHE HB2 H 1 3.42 0.01 . 2 . . . . A 14 PHE HB2 . 34237 1 95 . 1 . 1 13 13 PHE HB3 H 1 3.35 0.01 . 2 . . . . A 14 PHE HB3 . 34237 1 96 . 1 . 1 13 13 PHE HD1 H 1 7.26 0.01 . 3 . . . . A 14 PHE HD1 . 34237 1 97 . 1 . 1 13 13 PHE HD2 H 1 7.26 0.01 . 3 . . . . A 14 PHE HD2 . 34237 1 98 . 1 . 1 13 13 PHE HE1 H 1 7.31 0.01 . 3 . . . . A 14 PHE HE1 . 34237 1 99 . 1 . 1 13 13 PHE HE2 H 1 7.31 0.01 . 3 . . . . A 14 PHE HE2 . 34237 1 100 . 1 . 1 13 13 PHE HZ H 1 7.28 0.01 . 1 . . . . A 14 PHE HZ . 34237 1 101 . 1 . 1 14 14 LEU H H 1 8.51 0.01 . 1 . . . . A 15 LEU H . 34237 1 102 . 1 . 1 14 14 LEU HA H 1 4.03 0.01 . 1 . . . . A 15 LEU HA . 34237 1 103 . 1 . 1 14 14 LEU HB2 H 1 2.03 0.01 . 2 . . . . A 15 LEU HB2 . 34237 1 104 . 1 . 1 14 14 LEU HB3 H 1 1.98 0.01 . 2 . . . . A 15 LEU HB3 . 34237 1 105 . 1 . 1 14 14 LEU HG H 1 1.66 0.01 . 1 . . . . A 15 LEU HG . 34237 1 106 . 1 . 1 14 14 LEU HD11 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD11 . 34237 1 107 . 1 . 1 14 14 LEU HD12 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD12 . 34237 1 108 . 1 . 1 14 14 LEU HD13 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD13 . 34237 1 109 . 1 . 1 14 14 LEU HD21 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD21 . 34237 1 110 . 1 . 1 14 14 LEU HD22 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD22 . 34237 1 111 . 1 . 1 14 14 LEU HD23 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD23 . 34237 1 112 . 1 . 1 15 15 LYS H H 1 8.51 0.01 . 1 . . . . A 16 LYS H . 34237 1 113 . 1 . 1 15 15 LYS HA H 1 3.97 0.01 . 1 . . . . A 16 LYS HA . 34237 1 114 . 1 . 1 15 15 LYS HB2 H 1 2.07 0.01 . 2 . . . . A 16 LYS HB2 . 34237 1 115 . 1 . 1 15 15 LYS HB3 H 1 2.00 0.01 . 2 . . . . A 16 LYS HB3 . 34237 1 116 . 1 . 1 15 15 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 16 LYS HG2 . 34237 1 117 . 1 . 1 15 15 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 16 LYS HG3 . 34237 1 118 . 1 . 1 15 15 LYS HD2 H 1 1.72 0.01 . 1 . . . . A 16 LYS HD2 . 34237 1 119 . 1 . 1 15 15 LYS HD3 H 1 1.72 0.01 . 1 . . . . A 16 LYS HD3 . 34237 1 120 . 1 . 1 15 15 LYS HE2 H 1 3.00 0.01 . 1 . . . . A 16 LYS HE2 . 34237 1 121 . 1 . 1 15 15 LYS HE3 H 1 3.00 0.01 . 1 . . . . A 16 LYS HE3 . 34237 1 122 . 1 . 1 16 16 LYS H H 1 7.87 0.01 . 1 . . . . A 17 LYS H . 34237 1 123 . 1 . 1 16 16 LYS HA H 1 4.18 0.01 . 1 . . . . A 17 LYS HA . 34237 1 124 . 1 . 1 16 16 LYS HB2 H 1 2.05 0.01 . 2 . . . . A 17 LYS HB2 . 34237 1 125 . 1 . 1 16 16 LYS HB3 H 1 1.94 0.01 . 2 . . . . A 17 LYS HB3 . 34237 1 126 . 1 . 1 16 16 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 17 LYS HG2 . 34237 1 127 . 1 . 1 16 16 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 17 LYS HG3 . 34237 1 128 . 1 . 1 16 16 LYS HD2 H 1 1.69 0.01 . 1 . . . . A 17 LYS HD2 . 34237 1 129 . 1 . 1 16 16 LYS HD3 H 1 1.69 0.01 . 1 . . . . A 17 LYS HD3 . 34237 1 130 . 1 . 1 16 16 LYS HE2 H 1 3.01 0.01 . 1 . . . . A 17 LYS HE2 . 34237 1 131 . 1 . 1 16 16 LYS HE3 H 1 3.01 0.01 . 1 . . . . A 17 LYS HE3 . 34237 1 132 . 1 . 1 17 17 ILE H H 1 8.31 0.01 . 1 . . . . A 18 ILE H . 34237 1 133 . 1 . 1 17 17 ILE HA H 1 3.90 0.01 . 1 . . . . A 18 ILE HA . 34237 1 134 . 1 . 1 17 17 ILE HB H 1 1.85 0.01 . 1 . . . . A 18 ILE HB . 34237 1 135 . 1 . 1 17 17 ILE HG12 H 1 1.31 0.01 . 2 . . . . A 18 ILE HG12 . 34237 1 136 . 1 . 1 17 17 ILE HG13 H 1 1.14 0.01 . 2 . . . . A 18 ILE HG13 . 34237 1 137 . 1 . 1 17 17 ILE HG21 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG21 . 34237 1 138 . 1 . 1 17 17 ILE HG22 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG22 . 34237 1 139 . 1 . 1 17 17 ILE HG23 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG23 . 34237 1 140 . 1 . 1 17 17 ILE HD11 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD11 . 34237 1 141 . 1 . 1 17 17 ILE HD12 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD12 . 34237 1 142 . 1 . 1 17 17 ILE HD13 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD13 . 34237 1 143 . 1 . 1 18 18 SER H H 1 8.16 0.01 . 1 . . . . A 19 SER H . 34237 1 144 . 1 . 1 18 18 SER HA H 1 4.29 0.01 . 1 . . . . A 19 SER HA . 34237 1 145 . 1 . 1 18 18 SER HB2 H 1 4.10 0.01 . 2 . . . . A 19 SER HB2 . 34237 1 146 . 1 . 1 18 18 SER HB3 H 1 4.03 0.01 . 2 . . . . A 19 SER HB3 . 34237 1 147 . 1 . 1 19 19 GLN H H 1 7.79 0.01 . 1 . . . . A 20 GLN H . 34237 1 148 . 1 . 1 19 19 GLN HA H 1 4.21 0.01 . 1 . . . . A 20 GLN HA . 34237 1 149 . 1 . 1 19 19 GLN HB2 H 1 2.24 0.01 . 2 . . . . A 20 GLN HB2 . 34237 1 150 . 1 . 1 19 19 GLN HB3 H 1 2.19 0.01 . 2 . . . . A 20 GLN HB3 . 34237 1 151 . 1 . 1 19 19 GLN HG2 H 1 2.63 0.01 . 2 . . . . A 20 GLN HG2 . 34237 1 152 . 1 . 1 19 19 GLN HG3 H 1 2.46 0.01 . 2 . . . . A 20 GLN HG3 . 34237 1 153 . 1 . 1 19 19 GLN HE21 H 1 7.36 0.01 . 2 . . . . A 20 GLN HE21 . 34237 1 154 . 1 . 1 19 19 GLN HE22 H 1 6.66 0.01 . 2 . . . . A 20 GLN HE22 . 34237 1 155 . 1 . 1 20 20 ARG H H 1 7.81 0.01 . 1 . . . . A 21 ARG H . 34237 1 156 . 1 . 1 20 20 ARG HA H 1 4.16 0.01 . 1 . . . . A 21 ARG HA . 34237 1 157 . 1 . 1 20 20 ARG HB2 H 1 1.86 0.01 . 1 . . . . A 21 ARG HB2 . 34237 1 158 . 1 . 1 20 20 ARG HB3 H 1 1.86 0.01 . 1 . . . . A 21 ARG HB3 . 34237 1 159 . 1 . 1 20 20 ARG HG2 H 1 1.53 0.01 . 1 . . . . A 21 ARG HG2 . 34237 1 160 . 1 . 1 20 20 ARG HG3 H 1 1.53 0.01 . 1 . . . . A 21 ARG HG3 . 34237 1 161 . 1 . 1 20 20 ARG HD2 H 1 3.12 0.01 . 1 . . . . A 21 ARG HD2 . 34237 1 162 . 1 . 1 20 20 ARG HD3 H 1 3.12 0.01 . 1 . . . . A 21 ARG HD3 . 34237 1 163 . 1 . 1 20 20 ARG HE H 1 7.08 0.01 . 1 . . . . A 21 ARG HE . 34237 1 164 . 1 . 1 21 21 TYR H H 1 7.97 0.01 . 1 . . . . A 22 TYR H . 34237 1 165 . 1 . 1 21 21 TYR HA H 1 4.52 0.01 . 1 . . . . A 22 TYR HA . 34237 1 166 . 1 . 1 21 21 TYR HB2 H 1 3.23 0.01 . 2 . . . . A 22 TYR HB2 . 34237 1 167 . 1 . 1 21 21 TYR HB3 H 1 3.02 0.01 . 2 . . . . A 22 TYR HB3 . 34237 1 168 . 1 . 1 21 21 TYR HD1 H 1 7.17 0.01 . 3 . . . . A 22 TYR HD1 . 34237 1 169 . 1 . 1 21 21 TYR HD2 H 1 7.17 0.01 . 3 . . . . A 22 TYR HD2 . 34237 1 170 . 1 . 1 21 21 TYR HE1 H 1 6.81 0.01 . 3 . . . . A 22 TYR HE1 . 34237 1 171 . 1 . 1 21 21 TYR HE2 H 1 6.81 0.01 . 3 . . . . A 22 TYR HE2 . 34237 1 172 . 1 . 1 22 22 GLN H H 1 7.97 0.01 . 1 . . . . A 23 GLN H . 34237 1 173 . 1 . 1 22 22 GLN HA H 1 4.18 0.01 . 1 . . . . A 23 GLN HA . 34237 1 174 . 1 . 1 22 22 GLN HB2 H 1 2.15 0.01 . 1 . . . . A 23 GLN HB2 . 34237 1 175 . 1 . 1 22 22 GLN HB3 H 1 2.15 0.01 . 1 . . . . A 23 GLN HB3 . 34237 1 176 . 1 . 1 22 22 GLN HG2 H 1 2.47 0.01 . 2 . . . . A 23 GLN HG2 . 34237 1 177 . 1 . 1 22 22 GLN HG3 H 1 2.41 0.01 . 2 . . . . A 23 GLN HG3 . 34237 1 178 . 1 . 1 22 22 GLN HE21 H 1 7.23 0.01 . 2 . . . . A 23 GLN HE21 . 34237 1 179 . 1 . 1 22 22 GLN HE22 H 1 6.57 0.01 . 2 . . . . A 23 GLN HE22 . 34237 1 180 . 1 . 1 23 23 LYS H H 1 7.88 0.01 . 1 . . . . A 24 LYS H . 34237 1 181 . 1 . 1 23 23 LYS HA H 1 4.19 0.01 . 1 . . . . A 24 LYS HA . 34237 1 182 . 1 . 1 23 23 LYS HB2 H 1 1.75 0.01 . 2 . . . . A 24 LYS HB2 . 34237 1 183 . 1 . 1 23 23 LYS HB3 H 1 1.69 0.01 . 2 . . . . A 24 LYS HB3 . 34237 1 184 . 1 . 1 23 23 LYS HG2 H 1 1.36 0.01 . 2 . . . . A 24 LYS HG2 . 34237 1 185 . 1 . 1 23 23 LYS HG3 H 1 1.31 0.01 . 2 . . . . A 24 LYS HG3 . 34237 1 186 . 1 . 1 23 23 LYS HD2 H 1 1.65 0.01 . 1 . . . . A 24 LYS HD2 . 34237 1 187 . 1 . 1 23 23 LYS HD3 H 1 1.65 0.01 . 1 . . . . A 24 LYS HD3 . 34237 1 188 . 1 . 1 23 23 LYS HE2 H 1 2.97 0.01 . 1 . . . . A 24 LYS HE2 . 34237 1 189 . 1 . 1 23 23 LYS HE3 H 1 2.97 0.01 . 1 . . . . A 24 LYS HE3 . 34237 1 190 . 1 . 1 24 24 PHE H H 1 7.77 0.01 . 1 . . . . A 25 PHE H . 34237 1 191 . 1 . 1 24 24 PHE HA H 1 4.61 0.01 . 1 . . . . A 25 PHE HA . 34237 1 192 . 1 . 1 24 24 PHE HB2 H 1 3.23 0.01 . 2 . . . . A 25 PHE HB2 . 34237 1 193 . 1 . 1 24 24 PHE HB3 H 1 3.06 0.01 . 2 . . . . A 25 PHE HB3 . 34237 1 194 . 1 . 1 24 24 PHE HD1 H 1 7.29 0.01 . 3 . . . . A 25 PHE HD1 . 34237 1 195 . 1 . 1 24 24 PHE HD2 H 1 7.29 0.01 . 3 . . . . A 25 PHE HD2 . 34237 1 196 . 1 . 1 24 24 PHE HE1 H 1 7.32 0.01 . 3 . . . . A 25 PHE HE1 . 34237 1 197 . 1 . 1 24 24 PHE HE2 H 1 7.32 0.01 . 3 . . . . A 25 PHE HE2 . 34237 1 198 . 1 . 1 25 25 ALA H H 1 7.85 0.01 . 1 . . . . A 26 ALA H . 34237 1 199 . 1 . 1 25 25 ALA HA H 1 4.36 0.01 . 1 . . . . A 26 ALA HA . 34237 1 200 . 1 . 1 25 25 ALA HB1 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB1 . 34237 1 201 . 1 . 1 25 25 ALA HB2 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB2 . 34237 1 202 . 1 . 1 25 25 ALA HB3 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB3 . 34237 1 203 . 1 . 1 26 26 LEU H H 1 7.59 0.01 . 1 . . . . A 27 LEU H . 34237 1 204 . 1 . 1 26 26 LEU HA H 1 4.57 0.01 . 1 . . . . A 27 LEU HA . 34237 1 205 . 1 . 1 26 26 LEU HB2 H 1 1.67 0.01 . 2 . . . . A 27 LEU HB2 . 34237 1 206 . 1 . 1 26 26 LEU HB3 H 1 1.64 0.01 . 2 . . . . A 27 LEU HB3 . 34237 1 207 . 1 . 1 26 26 LEU HG H 1 1.74 0.01 . 1 . . . . A 27 LEU HG . 34237 1 208 . 1 . 1 26 26 LEU HD11 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD11 . 34237 1 209 . 1 . 1 26 26 LEU HD12 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD12 . 34237 1 210 . 1 . 1 26 26 LEU HD13 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD13 . 34237 1 211 . 1 . 1 26 26 LEU HD21 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD21 . 34237 1 212 . 1 . 1 26 26 LEU HD22 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD22 . 34237 1 213 . 1 . 1 26 26 LEU HD23 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD23 . 34237 1 214 . 1 . 1 27 27 PRO HA H 1 4.33 0.01 . 1 . . . . A 28 PRO HA . 34237 1 215 . 1 . 1 27 27 PRO HB2 H 1 2.27 0.01 . 2 . . . . A 28 PRO HB2 . 34237 1 216 . 1 . 1 27 27 PRO HB3 H 1 1.76 0.01 . 2 . . . . A 28 PRO HB3 . 34237 1 217 . 1 . 1 27 27 PRO HG2 H 1 2.05 0.01 . 1 . . . . A 28 PRO HG2 . 34237 1 218 . 1 . 1 27 27 PRO HG3 H 1 2.05 0.01 . 1 . . . . A 28 PRO HG3 . 34237 1 219 . 1 . 1 27 27 PRO HD2 H 1 3.80 0.01 . 2 . . . . A 28 PRO HD2 . 34237 1 220 . 1 . 1 27 27 PRO HD3 H 1 3.61 0.01 . 2 . . . . A 28 PRO HD3 . 34237 1 221 . 1 . 1 28 28 GLN H H 1 8.21 0.01 . 1 . . . . A 29 GLN H . 34237 1 222 . 1 . 1 28 28 GLN HA H 1 4.14 0.01 . 1 . . . . A 29 GLN HA . 34237 1 223 . 1 . 1 28 28 GLN HB2 H 1 2.02 0.01 . 1 . . . . A 29 GLN HB2 . 34237 1 224 . 1 . 1 28 28 GLN HB3 H 1 2.02 0.01 . 1 . . . . A 29 GLN HB3 . 34237 1 225 . 1 . 1 28 28 GLN HG2 H 1 2.27 0.01 . 1 . . . . A 29 GLN HG2 . 34237 1 226 . 1 . 1 28 28 GLN HG3 H 1 2.27 0.01 . 1 . . . . A 29 GLN HG3 . 34237 1 227 . 1 . 1 28 28 GLN HE21 H 1 7.27 0.01 . 2 . . . . A 29 GLN HE21 . 34237 1 228 . 1 . 1 28 28 GLN HE22 H 1 6.48 0.01 . 2 . . . . A 29 GLN HE22 . 34237 1 229 . 1 . 1 29 29 TYR H H 1 7.66 0.01 . 1 . . . . A 30 TYR H . 34237 1 230 . 1 . 1 29 29 TYR HA H 1 4.58 0.01 . 1 . . . . A 30 TYR HA . 34237 1 231 . 1 . 1 29 29 TYR HB2 H 1 3.16 0.01 . 2 . . . . A 30 TYR HB2 . 34237 1 232 . 1 . 1 29 29 TYR HB3 H 1 3.06 0.01 . 2 . . . . A 30 TYR HB3 . 34237 1 233 . 1 . 1 29 29 TYR HD1 H 1 7.14 0.01 . 3 . . . . A 30 TYR HD1 . 34237 1 234 . 1 . 1 29 29 TYR HD2 H 1 7.14 0.01 . 3 . . . . A 30 TYR HD2 . 34237 1 235 . 1 . 1 29 29 TYR HE1 H 1 6.84 0.01 . 3 . . . . A 30 TYR HE1 . 34237 1 236 . 1 . 1 29 29 TYR HE2 H 1 6.84 0.01 . 3 . . . . A 30 TYR HE2 . 34237 1 237 . 1 . 1 30 30 LEU H H 1 7.62 0.01 . 1 . . . . A 31 LEU H . 34237 1 238 . 1 . 1 30 30 LEU HA H 1 4.39 0.01 . 1 . . . . A 31 LEU HA . 34237 1 239 . 1 . 1 30 30 LEU HB2 H 1 1.67 0.01 . 2 . . . . A 31 LEU HB2 . 34237 1 240 . 1 . 1 30 30 LEU HB3 H 1 1.65 0.01 . 2 . . . . A 31 LEU HB3 . 34237 1 241 . 1 . 1 30 30 LEU HG H 1 1.63 0.01 . 1 . . . . A 31 LEU HG . 34237 1 242 . 1 . 1 30 30 LEU HD11 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD11 . 34237 1 243 . 1 . 1 30 30 LEU HD12 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD12 . 34237 1 244 . 1 . 1 30 30 LEU HD13 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD13 . 34237 1 245 . 1 . 1 30 30 LEU HD21 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD21 . 34237 1 246 . 1 . 1 30 30 LEU HD22 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD22 . 34237 1 247 . 1 . 1 30 30 LEU HD23 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD23 . 34237 1 248 . 1 . 1 31 31 LYS H H 1 7.67 0.01 . 1 . . . . A 32 LYS H . 34237 1 249 . 1 . 1 31 31 LYS HA H 1 4.37 0.01 . 1 . . . . A 32 LYS HA . 34237 1 250 . 1 . 1 31 31 LYS HB2 H 1 1.97 0.01 . 2 . . . . A 32 LYS HB2 . 34237 1 251 . 1 . 1 31 31 LYS HB3 H 1 1.84 0.01 . 2 . . . . A 32 LYS HB3 . 34237 1 252 . 1 . 1 31 31 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 32 LYS HG2 . 34237 1 253 . 1 . 1 31 31 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 32 LYS HG3 . 34237 1 254 . 1 . 1 31 31 LYS HE2 H 1 2.97 0.01 . 1 . . . . A 32 LYS HE2 . 34237 1 255 . 1 . 1 31 31 LYS HE3 H 1 2.97 0.01 . 1 . . . . A 32 LYS HE3 . 34237 1 stop_ save_