################################### # 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 31221 _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' . . . 31221 1 2 '2D 1H-1H COSY' . . . 31221 1 3 '2D 1H-1H NOESY' . . . 31221 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 LEU HA H 1 4.257 0.002 . 1 . . . . A 1 LEU HA . 31221 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.830 0.000 . 2 . . . . A 1 LEU HB2 . 31221 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.830 0.000 . 2 . . . . A 1 LEU HB3 . 31221 1 4 . 1 . 1 1 1 LEU HG H 1 1.828 0.000 . 1 . . . . A 1 LEU HG . 31221 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD11 . 31221 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD12 . 31221 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD13 . 31221 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD21 . 31221 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD22 . 31221 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.944 0.000 . 2 . . . . A 1 LEU HD23 . 31221 1 11 . 1 . 1 2 2 SER H H 1 9.792 0.001 . 1 . . . . A 2 SER H . 31221 1 12 . 1 . 1 2 2 SER HA H 1 4.628 0.001 . 1 . . . . A 2 SER HA . 31221 1 13 . 1 . 1 2 2 SER HB2 H 1 4.428 0.000 . 2 . . . . A 2 SER HB2 . 31221 1 14 . 1 . 1 2 2 SER HB3 H 1 4.123 0.000 . 2 . . . . A 2 SER HB3 . 31221 1 15 . 1 . 1 3 3 ASP H H 1 9.281 0.000 . 1 . . . . A 3 ASP H . 31221 1 16 . 1 . 1 3 3 ASP HA H 1 4.413 0.000 . 1 . . . . A 3 ASP HA . 31221 1 17 . 1 . 1 3 3 ASP HB2 H 1 2.728 0.000 . 2 . . . . A 3 ASP HB2 . 31221 1 18 . 1 . 1 4 4 GLU H H 1 8.896 0.000 . 1 . . . . A 4 GLU H . 31221 1 19 . 1 . 1 4 4 GLU HA H 1 4.116 0.000 . 1 . . . . A 4 GLU HA . 31221 1 20 . 1 . 1 4 4 GLU HB2 H 1 2.035 0.000 . 2 . . . . A 4 GLU HB2 . 31221 1 21 . 1 . 1 4 4 GLU HB3 H 1 2.035 0.000 . 2 . . . . A 4 GLU HB3 . 31221 1 22 . 1 . 1 4 4 GLU HG2 H 1 2.342 0.000 . 2 . . . . A 4 GLU HG2 . 31221 1 23 . 1 . 1 5 5 ASP H H 1 8.076 0.001 . 1 . . . . A 5 ASP H . 31221 1 24 . 1 . 1 5 5 ASP HA H 1 4.512 0.000 . 1 . . . . A 5 ASP HA . 31221 1 25 . 1 . 1 5 5 ASP HB2 H 1 2.665 0.000 . 2 . . . . A 5 ASP HB2 . 31221 1 26 . 1 . 1 6 6 PHE H H 1 8.847 0.000 . 1 . . . . A 6 PHE H . 31221 1 27 . 1 . 1 6 6 PHE HA H 1 3.882 0.000 . 1 . . . . A 6 PHE HA . 31221 1 28 . 1 . 1 6 6 PHE HB2 H 1 3.398 0.000 . 2 . . . . A 6 PHE HB2 . 31221 1 29 . 1 . 1 6 6 PHE HB3 H 1 3.003 0.000 . 2 . . . . A 6 PHE HB3 . 31221 1 30 . 1 . 1 6 6 PHE HD1 H 1 7.164 0.000 . 3 . . . . A 6 PHE HD1 . 31221 1 31 . 1 . 1 6 6 PHE HD2 H 1 7.164 0.000 . 3 . . . . A 6 PHE HD2 . 31221 1 32 . 1 . 1 6 6 PHE HE1 H 1 6.559 0.001 . 3 . . . . A 6 PHE HE1 . 31221 1 33 . 1 . 1 6 6 PHE HE2 H 1 6.559 0.001 . 3 . . . . A 6 PHE HE2 . 31221 1 34 . 1 . 1 6 6 PHE HZ H 1 5.540 0.002 . 1 . . . . A 6 PHE HZ . 31221 1 35 . 1 . 1 7 7 LYS H H 1 7.877 0.000 . 1 . . . . A 7 LYS H . 31221 1 36 . 1 . 1 7 7 LYS HA H 1 4.391 0.003 . 1 . . . . A 7 LYS HA . 31221 1 37 . 1 . 1 7 7 LYS HB2 H 1 1.927 0.003 . 2 . . . . A 7 LYS HB2 . 31221 1 38 . 1 . 1 7 7 LYS HB3 H 1 1.892 0.001 . 2 . . . . A 7 LYS HB3 . 31221 1 39 . 1 . 1 7 7 LYS HG2 H 1 1.377 0.001 . 2 . . . . A 7 LYS HG2 . 31221 1 40 . 1 . 1 7 7 LYS HG3 H 1 1.268 0.002 . 2 . . . . A 7 LYS HG3 . 31221 1 41 . 1 . 1 7 7 LYS HD2 H 1 1.641 0.011 . 2 . . . . A 7 LYS HD2 . 31221 1 42 . 1 . 1 7 7 LYS HD3 H 1 1.641 0.011 . 2 . . . . A 7 LYS HD3 . 31221 1 43 . 1 . 1 7 7 LYS HE2 H 1 2.924 0.000 . 2 . . . . A 7 LYS HE2 . 31221 1 44 . 1 . 1 7 7 LYS HE3 H 1 2.924 0.000 . 2 . . . . A 7 LYS HE3 . 31221 1 45 . 1 . 1 8 8 ALA H H 1 7.745 0.001 . 1 . . . . A 8 ALA H . 31221 1 46 . 1 . 1 8 8 ALA HA H 1 4.093 0.000 . 1 . . . . A 8 ALA HA . 31221 1 47 . 1 . 1 8 8 ALA HB1 H 1 1.537 0.000 . 1 . . . . A 8 ALA HB1 . 31221 1 48 . 1 . 1 8 8 ALA HB2 H 1 1.537 0.000 . 1 . . . . A 8 ALA HB2 . 31221 1 49 . 1 . 1 8 8 ALA HB3 H 1 1.537 0.000 . 1 . . . . A 8 ALA HB3 . 31221 1 50 . 1 . 1 9 9 VAL H H 1 7.915 0.001 . 1 . . . . A 9 VAL H . 31221 1 51 . 1 . 1 9 9 VAL HA H 1 3.558 0.000 . 1 . . . . A 9 VAL HA . 31221 1 52 . 1 . 1 9 9 VAL HB H 1 1.492 0.000 . 1 . . . . A 9 VAL HB . 31221 1 53 . 1 . 1 9 9 VAL HG11 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG11 . 31221 1 54 . 1 . 1 9 9 VAL HG12 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG12 . 31221 1 55 . 1 . 1 9 9 VAL HG13 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG13 . 31221 1 56 . 1 . 1 9 9 VAL HG21 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG21 . 31221 1 57 . 1 . 1 9 9 VAL HG22 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG22 . 31221 1 58 . 1 . 1 9 9 VAL HG23 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG23 . 31221 1 59 . 1 . 1 10 10 PHE H H 1 8.382 0.002 . 1 . . . . A 10 PHE H . 31221 1 60 . 1 . 1 10 10 PHE HA H 1 4.264 0.004 . 1 . . . . A 10 PHE HA . 31221 1 61 . 1 . 1 10 10 PHE HB2 H 1 2.981 0.000 . 2 . . . . A 10 PHE HB2 . 31221 1 62 . 1 . 1 10 10 PHE HB3 H 1 2.479 0.000 . 2 . . . . A 10 PHE HB3 . 31221 1 63 . 1 . 1 10 10 PHE HD1 H 1 6.377 0.001 . 3 . . . . A 10 PHE HD1 . 31221 1 64 . 1 . 1 10 10 PHE HD2 H 1 6.377 0.001 . 3 . . . . A 10 PHE HD2 . 31221 1 65 . 1 . 1 10 10 PHE HE1 H 1 6.619 0.000 . 3 . . . . A 10 PHE HE1 . 31221 1 66 . 1 . 1 10 10 PHE HE2 H 1 6.619 0.000 . 3 . . . . A 10 PHE HE2 . 31221 1 67 . 1 . 1 10 10 PHE HZ H 1 6.822 0.000 . 1 . . . . A 10 PHE HZ . 31221 1 68 . 1 . 1 11 11 GLY H H 1 8.272 0.000 . 1 . . . . A 11 GLY H . 31221 1 69 . 1 . 1 11 11 GLY HA2 H 1 3.920 0.000 . 2 . . . . A 11 GLY HA2 . 31221 1 70 . 1 . 1 12 12 NLE H H 1 7.560 0.004 . 1 . . . . A 12 NLE H . 31221 1 71 . 1 . 1 12 12 NLE HA H 1 4.767 0.001 . 1 . . . . A 12 NLE HA . 31221 1 72 . 1 . 1 12 12 NLE HB2 H 1 1.800 0.000 . 2 . . . . A 12 NLE HB2 . 31221 1 73 . 1 . 1 12 12 NLE HB3 H 1 2.063 0.000 . 2 . . . . A 12 NLE HB3 . 31221 1 74 . 1 . 1 12 12 NLE HD2 H 1 1.259 0.000 . 2 . . . . A 12 NLE HD2 . 31221 1 75 . 1 . 1 12 12 NLE HD3 H 1 1.412 0.000 . 2 . . . . A 12 NLE HD3 . 31221 1 76 . 1 . 1 12 12 NLE HE1 H 1 0.888 0.000 . 1 . . . . A 12 NLE HE1 . 31221 1 77 . 1 . 1 12 12 NLE HE2 H 1 0.888 0.000 . 1 . . . . A 12 NLE HE2 . 31221 1 78 . 1 . 1 12 12 NLE HE3 H 1 0.888 0.000 . 1 . . . . A 12 NLE HE3 . 31221 1 79 . 1 . 1 12 12 NLE HG2 H 1 1.279 0.000 . 2 . . . . A 12 NLE HG2 . 31221 1 80 . 1 . 1 12 12 NLE HG3 H 1 1.560 0.000 . 2 . . . . A 12 NLE HG3 . 31221 1 81 . 1 . 1 13 13 THR H H 1 8.053 0.005 . 1 . . . . A 13 THR H . 31221 1 82 . 1 . 1 13 13 THR HA H 1 4.488 0.002 . 1 . . . . A 13 THR HA . 31221 1 83 . 1 . 1 13 13 THR HB H 1 4.667 0.001 . 1 . . . . A 13 THR HB . 31221 1 84 . 1 . 1 13 13 THR HG1 H 1 5.444 0.000 . 1 . . . . A 13 THR HG1 . 31221 1 85 . 1 . 1 13 13 THR HG21 H 1 1.377 0.001 . 1 . . . . A 13 THR HG21 . 31221 1 86 . 1 . 1 13 13 THR HG22 H 1 1.377 0.001 . 1 . . . . A 13 THR HG22 . 31221 1 87 . 1 . 1 13 13 THR HG23 H 1 1.377 0.001 . 1 . . . . A 13 THR HG23 . 31221 1 88 . 1 . 1 14 14 ARG H H 1 8.647 0.000 . 1 . . . . A 14 ARG H . 31221 1 89 . 1 . 1 14 14 ARG HA H 1 3.108 0.005 . 1 . . . . A 14 ARG HA . 31221 1 90 . 1 . 1 14 14 ARG HB2 H 1 1.293 0.001 . 2 . . . . A 14 ARG HB2 . 31221 1 91 . 1 . 1 14 14 ARG HB3 H 1 1.105 0.001 . 2 . . . . A 14 ARG HB3 . 31221 1 92 . 1 . 1 14 14 ARG HG2 H 1 0.810 0.003 . 2 . . . . A 14 ARG HG2 . 31221 1 93 . 1 . 1 14 14 ARG HG3 H 1 0.434 0.002 . 2 . . . . A 14 ARG HG3 . 31221 1 94 . 1 . 1 14 14 ARG HD2 H 1 2.906 0.000 . 2 . . . . A 14 ARG HD2 . 31221 1 95 . 1 . 1 14 14 ARG HD3 H 1 2.748 0.000 . 2 . . . . A 14 ARG HD3 . 31221 1 96 . 1 . 1 14 14 ARG HE H 1 7.128 0.001 . 1 . . . . A 14 ARG HE . 31221 1 97 . 1 . 1 15 15 AIB H H 1 8.224 0.001 . 1 . . . . A 15 AIB H . 31221 1 98 . 1 . 1 15 15 AIB HB11 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB11 . 31221 1 99 . 1 . 1 15 15 AIB HB12 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB12 . 31221 1 100 . 1 . 1 15 15 AIB HB13 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB13 . 31221 1 101 . 1 . 1 15 15 AIB HB21 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB21 . 31221 1 102 . 1 . 1 15 15 AIB HB22 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB22 . 31221 1 103 . 1 . 1 15 15 AIB HB23 H 1 1.345 0.001 . 2 . . . . A 15 AIB HB23 . 31221 1 104 . 1 . 1 16 16 ALA H H 1 7.634 0.001 . 1 . . . . A 16 ALA H . 31221 1 105 . 1 . 1 16 16 ALA HA H 1 4.012 0.001 . 1 . . . . A 16 ALA HA . 31221 1 106 . 1 . 1 16 16 ALA HB1 H 1 1.477 0.000 . 1 . . . . A 16 ALA HB1 . 31221 1 107 . 1 . 1 16 16 ALA HB2 H 1 1.477 0.000 . 1 . . . . A 16 ALA HB2 . 31221 1 108 . 1 . 1 16 16 ALA HB3 H 1 1.477 0.000 . 1 . . . . A 16 ALA HB3 . 31221 1 109 . 1 . 1 17 17 PHE H H 1 8.782 0.000 . 1 . . . . A 17 PHE H . 31221 1 110 . 1 . 1 17 17 PHE HA H 1 3.844 0.000 . 1 . . . . A 17 PHE HA . 31221 1 111 . 1 . 1 17 17 PHE HB2 H 1 3.269 0.000 . 2 . . . . A 17 PHE HB2 . 31221 1 112 . 1 . 1 17 17 PHE HB3 H 1 2.993 0.000 . 2 . . . . A 17 PHE HB3 . 31221 1 113 . 1 . 1 17 17 PHE HD1 H 1 6.899 0.002 . 3 . . . . A 17 PHE HD1 . 31221 1 114 . 1 . 1 17 17 PHE HD2 H 1 6.899 0.002 . 3 . . . . A 17 PHE HD2 . 31221 1 115 . 1 . 1 17 17 PHE HE1 H 1 6.989 0.000 . 3 . . . . A 17 PHE HE1 . 31221 1 116 . 1 . 1 17 17 PHE HE2 H 1 6.989 0.000 . 3 . . . . A 17 PHE HE2 . 31221 1 117 . 1 . 1 17 17 PHE HZ H 1 7.032 0.000 . 1 . . . . A 17 PHE HZ . 31221 1 118 . 1 . 1 18 18 ALA H H 1 7.852 0.002 . 1 . . . . A 18 ALA H . 31221 1 119 . 1 . 1 18 18 ALA HA H 1 3.993 0.000 . 1 . . . . A 18 ALA HA . 31221 1 120 . 1 . 1 18 18 ALA HB1 H 1 1.474 0.000 . 1 . . . . A 18 ALA HB1 . 31221 1 121 . 1 . 1 18 18 ALA HB2 H 1 1.474 0.000 . 1 . . . . A 18 ALA HB2 . 31221 1 122 . 1 . 1 18 18 ALA HB3 H 1 1.474 0.000 . 1 . . . . A 18 ALA HB3 . 31221 1 123 . 1 . 1 19 19 ASN H H 1 7.292 0.000 . 1 . . . . A 19 ASN H . 31221 1 124 . 1 . 1 19 19 ASN HA H 1 4.676 0.001 . 1 . . . . A 19 ASN HA . 31221 1 125 . 1 . 1 19 19 ASN HB2 H 1 2.880 0.001 . 2 . . . . A 19 ASN HB2 . 31221 1 126 . 1 . 1 19 19 ASN HB3 H 1 2.674 0.001 . 2 . . . . A 19 ASN HB3 . 31221 1 127 . 1 . 1 19 19 ASN HD21 H 1 6.957 0.001 . 2 . . . . A 19 ASN HD21 . 31221 1 128 . 1 . 1 19 19 ASN HD22 H 1 7.653 0.000 . 2 . . . . A 19 ASN HD22 . 31221 1 129 . 1 . 1 20 20 LEU H H 1 7.356 0.001 . 1 . . . . A 20 LEU H . 31221 1 130 . 1 . 1 20 20 LEU HA H 1 4.330 0.001 . 1 . . . . A 20 LEU HA . 31221 1 131 . 1 . 1 20 20 LEU HB2 H 1 1.590 0.000 . 2 . . . . A 20 LEU HB2 . 31221 1 132 . 1 . 1 20 20 LEU HB3 H 1 0.818 0.000 . 2 . . . . A 20 LEU HB3 . 31221 1 133 . 1 . 1 20 20 LEU HG H 1 1.754 0.000 . 1 . . . . A 20 LEU HG . 31221 1 134 . 1 . 1 20 20 LEU HD11 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD11 . 31221 1 135 . 1 . 1 20 20 LEU HD12 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD12 . 31221 1 136 . 1 . 1 20 20 LEU HD13 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD13 . 31221 1 137 . 1 . 1 20 20 LEU HD21 H 1 0.729 0.000 . 2 . . . . A 20 LEU HD21 . 31221 1 138 . 1 . 1 20 20 LEU HD22 H 1 0.729 0.000 . 2 . . . . A 20 LEU HD22 . 31221 1 139 . 1 . 1 20 20 LEU HD23 H 1 0.729 0.000 . 2 . . . . A 20 LEU HD23 . 31221 1 140 . 1 . 1 21 21 PRO HA H 1 4.367 0.002 . 1 . . . . A 21 PRO HA . 31221 1 141 . 1 . 1 21 21 PRO HB2 H 1 2.379 0.000 . 2 . . . . A 21 PRO HB2 . 31221 1 142 . 1 . 1 21 21 PRO HB3 H 1 1.090 0.003 . 2 . . . . A 21 PRO HB3 . 31221 1 143 . 1 . 1 21 21 PRO HG2 H 1 2.091 0.000 . 2 . . . . A 21 PRO HG2 . 31221 1 144 . 1 . 1 21 21 PRO HG3 H 1 1.610 0.000 . 2 . . . . A 21 PRO HG3 . 31221 1 145 . 1 . 1 21 21 PRO HD2 H 1 3.803 0.002 . 2 . . . . A 21 PRO HD2 . 31221 1 146 . 1 . 1 21 21 PRO HD3 H 1 3.093 0.001 . 2 . . . . A 21 PRO HD3 . 31221 1 147 . 1 . 1 22 22 LEU H H 1 8.937 0.000 . 1 . . . . A 22 LEU H . 31221 1 148 . 1 . 1 22 22 LEU HA H 1 3.779 0.000 . 1 . . . . A 22 LEU HA . 31221 1 149 . 1 . 1 22 22 LEU HB2 H 1 1.732 0.000 . 2 . . . . A 22 LEU HB2 . 31221 1 150 . 1 . 1 22 22 LEU HB3 H 1 1.732 0.000 . 2 . . . . A 22 LEU HB3 . 31221 1 151 . 1 . 1 22 22 LEU HG H 1 1.622 0.000 . 1 . . . . A 22 LEU HG . 31221 1 152 . 1 . 1 22 22 LEU HD11 H 1 0.912 0.000 . 2 . . . . A 22 LEU HD11 . 31221 1 153 . 1 . 1 22 22 LEU HD12 H 1 0.912 0.000 . 2 . . . . A 22 LEU HD12 . 31221 1 154 . 1 . 1 22 22 LEU HD13 H 1 0.912 0.000 . 2 . . . . A 22 LEU HD13 . 31221 1 155 . 1 . 1 22 22 LEU HD21 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD21 . 31221 1 156 . 1 . 1 22 22 LEU HD22 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD22 . 31221 1 157 . 1 . 1 22 22 LEU HD23 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD23 . 31221 1 158 . 1 . 1 23 23 TRP H H 1 8.044 0.000 . 1 . . . . A 23 TRP H . 31221 1 159 . 1 . 1 23 23 TRP HA H 1 4.403 0.001 . 1 . . . . A 23 TRP HA . 31221 1 160 . 1 . 1 23 23 TRP HB2 H 1 3.493 0.000 . 2 . . . . A 23 TRP HB2 . 31221 1 161 . 1 . 1 23 23 TRP HB3 H 1 3.234 0.000 . 2 . . . . A 23 TRP HB3 . 31221 1 162 . 1 . 1 23 23 TRP HD1 H 1 7.569 0.000 . 1 . . . . A 23 TRP HD1 . 31221 1 163 . 1 . 1 23 23 TRP HE1 H 1 10.559 0.000 . 1 . . . . A 23 TRP HE1 . 31221 1 164 . 1 . 1 23 23 TRP HE3 H 1 7.383 0.000 . 1 . . . . A 23 TRP HE3 . 31221 1 165 . 1 . 1 23 23 TRP HZ2 H 1 7.531 0.001 . 1 . . . . A 23 TRP HZ2 . 31221 1 166 . 1 . 1 23 23 TRP HZ3 H 1 7.113 0.000 . 1 . . . . A 23 TRP HZ3 . 31221 1 167 . 1 . 1 23 23 TRP HH2 H 1 7.255 0.000 . 1 . . . . A 23 TRP HH2 . 31221 1 168 . 1 . 1 24 24 LYS H H 1 6.066 0.001 . 1 . . . . A 24 LYS H . 31221 1 169 . 1 . 1 24 24 LYS HA H 1 3.650 0.001 . 1 . . . . A 24 LYS HA . 31221 1 170 . 1 . 1 24 24 LYS HB2 H 1 1.265 0.000 . 2 . . . . A 24 LYS HB2 . 31221 1 171 . 1 . 1 24 24 LYS HB3 H 1 0.340 0.000 . 2 . . . . A 24 LYS HB3 . 31221 1 172 . 1 . 1 24 24 LYS HG2 H 1 0.838 0.000 . 2 . . . . A 24 LYS HG2 . 31221 1 173 . 1 . 1 24 24 LYS HG3 H 1 0.629 0.000 . 2 . . . . A 24 LYS HG3 . 31221 1 174 . 1 . 1 24 24 LYS HD2 H 1 1.424 0.000 . 2 . . . . A 24 LYS HD2 . 31221 1 175 . 1 . 1 24 24 LYS HD3 H 1 1.424 0.000 . 2 . . . . A 24 LYS HD3 . 31221 1 176 . 1 . 1 24 24 LYS HE2 H 1 2.819 0.000 . 2 . . . . A 24 LYS HE2 . 31221 1 177 . 1 . 1 24 24 LYS HE3 H 1 2.749 0.000 . 2 . . . . A 24 LYS HE3 . 31221 1 178 . 1 . 1 25 25 GLN H H 1 7.640 0.000 . 1 . . . . A 25 GLN H . 31221 1 179 . 1 . 1 25 25 GLN HA H 1 3.410 0.000 . 1 . . . . A 25 GLN HA . 31221 1 180 . 1 . 1 25 25 GLN HB2 H 1 2.099 0.000 . 2 . . . . A 25 GLN HB2 . 31221 1 181 . 1 . 1 25 25 GLN HB3 H 1 1.948 0.006 . 2 . . . . A 25 GLN HB3 . 31221 1 182 . 1 . 1 25 25 GLN HG2 H 1 1.846 0.001 . 2 . . . . A 25 GLN HG2 . 31221 1 183 . 1 . 1 25 25 GLN HG3 H 1 1.019 0.001 . 2 . . . . A 25 GLN HG3 . 31221 1 184 . 1 . 1 25 25 GLN HE21 H 1 6.615 0.000 . 2 . . . . A 25 GLN HE21 . 31221 1 185 . 1 . 1 25 25 GLN HE22 H 1 7.385 0.001 . 2 . . . . A 25 GLN HE22 . 31221 1 186 . 1 . 1 26 26 GLN H H 1 8.243 0.002 . 1 . . . . A 26 GLN H . 31221 1 187 . 1 . 1 26 26 GLN HA H 1 4.043 0.004 . 1 . . . . A 26 GLN HA . 31221 1 188 . 1 . 1 26 26 GLN HB2 H 1 2.263 0.001 . 2 . . . . A 26 GLN HB2 . 31221 1 189 . 1 . 1 26 26 GLN HB3 H 1 2.080 0.000 . 2 . . . . A 26 GLN HB3 . 31221 1 190 . 1 . 1 26 26 GLN HG2 H 1 2.556 0.000 . 2 . . . . A 26 GLN HG2 . 31221 1 191 . 1 . 1 26 26 GLN HG3 H 1 2.448 0.001 . 2 . . . . A 26 GLN HG3 . 31221 1 192 . 1 . 1 26 26 GLN HE21 H 1 7.002 0.000 . 2 . . . . A 26 GLN HE21 . 31221 1 193 . 1 . 1 26 26 GLN HE22 H 1 7.510 0.000 . 2 . . . . A 26 GLN HE22 . 31221 1 194 . 1 . 1 27 27 ASN H H 1 7.958 0.001 . 1 . . . . A 27 ASN H . 31221 1 195 . 1 . 1 27 27 ASN HA H 1 4.522 0.002 . 1 . . . . A 27 ASN HA . 31221 1 196 . 1 . 1 27 27 ASN HB2 H 1 3.018 0.000 . 2 . . . . A 27 ASN HB2 . 31221 1 197 . 1 . 1 27 27 ASN HB3 H 1 2.978 0.000 . 2 . . . . A 27 ASN HB3 . 31221 1 198 . 1 . 1 27 27 ASN HD21 H 1 7.310 0.000 . 2 . . . . A 27 ASN HD21 . 31221 1 199 . 1 . 1 27 27 ASN HD22 H 1 7.904 0.000 . 2 . . . . A 27 ASN HD22 . 31221 1 200 . 1 . 1 28 28 LEU H H 1 8.416 0.001 . 1 . . . . A 28 LEU H . 31221 1 201 . 1 . 1 28 28 LEU HA H 1 4.288 0.002 . 1 . . . . A 28 LEU HA . 31221 1 202 . 1 . 1 28 28 LEU HB2 H 1 2.092 0.000 . 2 . . . . A 28 LEU HB2 . 31221 1 203 . 1 . 1 28 28 LEU HB3 H 1 1.715 0.000 . 2 . . . . A 28 LEU HB3 . 31221 1 204 . 1 . 1 28 28 LEU HG H 1 1.864 0.000 . 1 . . . . A 28 LEU HG . 31221 1 205 . 1 . 1 28 28 LEU HD11 H 1 0.933 0.000 . 2 . . . . A 28 LEU HD11 . 31221 1 206 . 1 . 1 28 28 LEU HD12 H 1 0.933 0.000 . 2 . . . . A 28 LEU HD12 . 31221 1 207 . 1 . 1 28 28 LEU HD13 H 1 0.933 0.000 . 2 . . . . A 28 LEU HD13 . 31221 1 208 . 1 . 1 28 28 LEU HD21 H 1 1.067 0.001 . 2 . . . . A 28 LEU HD21 . 31221 1 209 . 1 . 1 28 28 LEU HD22 H 1 1.067 0.001 . 2 . . . . A 28 LEU HD22 . 31221 1 210 . 1 . 1 28 28 LEU HD23 H 1 1.067 0.001 . 2 . . . . A 28 LEU HD23 . 31221 1 211 . 1 . 1 29 29 LYS H H 1 8.227 0.002 . 1 . . . . A 29 LYS H . 31221 1 212 . 1 . 1 29 29 LYS HA H 1 4.052 0.001 . 1 . . . . A 29 LYS HA . 31221 1 213 . 1 . 1 29 29 LYS HB2 H 1 2.042 0.003 . 2 . . . . A 29 LYS HB2 . 31221 1 214 . 1 . 1 29 29 LYS HB3 H 1 1.418 0.000 . 2 . . . . A 29 LYS HB3 . 31221 1 215 . 1 . 1 29 29 LYS HG2 H 1 1.970 0.001 . 2 . . . . A 29 LYS HG2 . 31221 1 216 . 1 . 1 29 29 LYS HG3 H 1 1.898 0.001 . 2 . . . . A 29 LYS HG3 . 31221 1 217 . 1 . 1 29 29 LYS HD2 H 1 1.776 0.002 . 2 . . . . A 29 LYS HD2 . 31221 1 218 . 1 . 1 29 29 LYS HD3 H 1 1.776 0.002 . 2 . . . . A 29 LYS HD3 . 31221 1 219 . 1 . 1 29 29 LYS HE2 H 1 2.903 0.000 . 2 . . . . A 29 LYS HE2 . 31221 1 220 . 1 . 1 29 29 LYS HE3 H 1 2.903 0.000 . 2 . . . . A 29 LYS HE3 . 31221 1 221 . 1 . 1 30 30 LYS H H 1 8.075 0.001 . 1 . . . . A 30 LYS H . 31221 1 222 . 1 . 1 30 30 LYS HA H 1 4.136 0.002 . 1 . . . . A 30 LYS HA . 31221 1 223 . 1 . 1 30 30 LYS HB2 H 1 2.022 0.000 . 2 . . . . A 30 LYS HB2 . 31221 1 224 . 1 . 1 30 30 LYS HB3 H 1 2.022 0.000 . 2 . . . . A 30 LYS HB3 . 31221 1 225 . 1 . 1 30 30 LYS HG2 H 1 1.713 0.000 . 2 . . . . A 30 LYS HG2 . 31221 1 226 . 1 . 1 30 30 LYS HG3 H 1 1.430 0.000 . 2 . . . . A 30 LYS HG3 . 31221 1 227 . 1 . 1 30 30 LYS HD2 H 1 1.558 0.000 . 2 . . . . A 30 LYS HD2 . 31221 1 228 . 1 . 1 30 30 LYS HD3 H 1 1.558 0.000 . 2 . . . . A 30 LYS HD3 . 31221 1 229 . 1 . 1 30 30 LYS HE2 H 1 2.908 0.000 . 2 . . . . A 30 LYS HE2 . 31221 1 230 . 1 . 1 30 30 LYS HE3 H 1 2.908 0.000 . 2 . . . . A 30 LYS HE3 . 31221 1 231 . 1 . 1 31 31 GLU H H 1 8.363 0.000 . 1 . . . . A 31 GLU H . 31221 1 232 . 1 . 1 31 31 GLU HA H 1 4.109 0.000 . 1 . . . . A 31 GLU HA . 31221 1 233 . 1 . 1 31 31 GLU HB2 H 1 2.189 0.000 . 2 . . . . A 31 GLU HB2 . 31221 1 234 . 1 . 1 31 31 GLU HG2 H 1 2.316 0.000 . 2 . . . . A 31 GLU HG2 . 31221 1 235 . 1 . 1 32 32 LYS H H 1 7.841 0.002 . 1 . . . . A 32 LYS H . 31221 1 236 . 1 . 1 32 32 LYS HA H 1 4.353 0.001 . 1 . . . . A 32 LYS HA . 31221 1 237 . 1 . 1 32 32 LYS HB2 H 1 1.668 0.000 . 2 . . . . A 32 LYS HB2 . 31221 1 238 . 1 . 1 32 32 LYS HB3 H 1 1.639 0.000 . 2 . . . . A 32 LYS HB3 . 31221 1 239 . 1 . 1 32 32 LYS HG2 H 1 1.508 0.002 . 2 . . . . A 32 LYS HG2 . 31221 1 240 . 1 . 1 32 32 LYS HG3 H 1 1.058 0.001 . 2 . . . . A 32 LYS HG3 . 31221 1 241 . 1 . 1 32 32 LYS HD2 H 1 1.392 0.000 . 2 . . . . A 32 LYS HD2 . 31221 1 242 . 1 . 1 32 32 LYS HD3 H 1 1.392 0.000 . 2 . . . . A 32 LYS HD3 . 31221 1 243 . 1 . 1 32 32 LYS HE2 H 1 2.864 0.000 . 2 . . . . A 32 LYS HE2 . 31221 1 244 . 1 . 1 32 32 LYS HE3 H 1 2.864 0.000 . 2 . . . . A 32 LYS HE3 . 31221 1 245 . 1 . 1 33 33 GLY H H 1 7.837 0.002 . 1 . . . . A 33 GLY H . 31221 1 246 . 1 . 1 33 33 GLY HA2 H 1 3.870 0.001 . 2 . . . . A 33 GLY HA2 . 31221 1 247 . 1 . 1 34 34 LEU H H 1 8.031 0.003 . 1 . . . . A 34 LEU H . 31221 1 248 . 1 . 1 34 34 LEU HA H 1 4.358 0.002 . 1 . . . . A 34 LEU HA . 31221 1 249 . 1 . 1 34 34 LEU HB2 H 1 1.539 0.000 . 2 . . . . A 34 LEU HB2 . 31221 1 250 . 1 . 1 34 34 LEU HB3 H 1 1.412 0.000 . 2 . . . . A 34 LEU HB3 . 31221 1 251 . 1 . 1 34 34 LEU HG H 1 1.457 0.000 . 1 . . . . A 34 LEU HG . 31221 1 252 . 1 . 1 34 34 LEU HD11 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD11 . 31221 1 253 . 1 . 1 34 34 LEU HD12 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD12 . 31221 1 254 . 1 . 1 34 34 LEU HD13 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD13 . 31221 1 255 . 1 . 1 34 34 LEU HD21 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD21 . 31221 1 256 . 1 . 1 34 34 LEU HD22 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD22 . 31221 1 257 . 1 . 1 34 34 LEU HD23 H 1 0.798 0.001 . 2 . . . . A 34 LEU HD23 . 31221 1 258 . 1 . 1 35 35 PHE H H 1 8.125 0.001 . 1 . . . . A 35 PHE H . 31221 1 259 . 1 . 1 35 35 PHE HA H 1 4.572 0.001 . 1 . . . . A 35 PHE HA . 31221 1 260 . 1 . 1 35 35 PHE HB2 H 1 3.188 0.000 . 2 . . . . A 35 PHE HB2 . 31221 1 261 . 1 . 1 35 35 PHE HB3 H 1 2.955 0.000 . 2 . . . . A 35 PHE HB3 . 31221 1 262 . 1 . 1 35 35 PHE HD1 H 1 7.263 0.001 . 3 . . . . A 35 PHE HD1 . 31221 1 263 . 1 . 1 35 35 PHE HD2 H 1 7.263 0.001 . 3 . . . . A 35 PHE HD2 . 31221 1 264 . 1 . 1 35 35 PHE HE1 H 1 7.368 0.000 . 3 . . . . A 35 PHE HE1 . 31221 1 265 . 1 . 1 35 35 PHE HE2 H 1 7.368 0.000 . 3 . . . . A 35 PHE HE2 . 31221 1 266 . 1 . 1 35 35 PHE HZ H 1 7.321 0.000 . 1 . . . . A 35 PHE HZ . 31221 1 267 . 1 . 1 36 36 NH2 HN1 H 1 7.157 0.000 . 1 . . . . A 36 NH2 HN1 . 31221 1 268 . 1 . 1 36 36 NH2 HN2 H 1 7.447 0.001 . 1 . . . . A 36 NH2 HN2 . 31221 1 stop_ save_