################################### # 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 31277 _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' . . . 31277 1 2 '2D 1H-1H COSY' . . . 31277 1 3 '2D 1H-1H NOESY' . . . 31277 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 4.256 0.000 . 1 . . . . A 1 LEU HA . 31277 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.834 0.000 . 2 . . . . A 1 LEU HB2 . 31277 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.834 0.000 . 2 . . . . A 1 LEU HB3 . 31277 1 4 . 1 . 1 1 1 LEU HG H 1 1.834 0.000 . 1 . . . . A 1 LEU HG . 31277 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD11 . 31277 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD12 . 31277 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD13 . 31277 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD21 . 31277 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD22 . 31277 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.935 0.000 . 2 . . . . A 1 LEU HD23 . 31277 1 11 . 1 . 1 2 2 SER H H 1 9.749 0.001 . 1 . . . . A 2 SER H . 31277 1 12 . 1 . 1 2 2 SER HA H 1 4.618 0.000 . 1 . . . . A 2 SER HA . 31277 1 13 . 1 . 1 2 2 SER HB2 H 1 4.403 0.000 . 2 . . . . A 2 SER HB2 . 31277 1 14 . 1 . 1 2 2 SER HB3 H 1 4.114 0.001 . 2 . . . . A 2 SER HB3 . 31277 1 15 . 1 . 1 3 3 ASP H H 1 9.261 0.000 . 1 . . . . A 3 ASP H . 31277 1 16 . 1 . 1 3 3 ASP HA H 1 4.401 0.000 . 1 . . . . A 3 ASP HA . 31277 1 17 . 1 . 1 3 3 ASP HB2 H 1 2.727 0.000 . 2 . . . . A 3 ASP HB2 . 31277 1 18 . 1 . 1 4 4 GLU H H 1 8.897 0.000 . 1 . . . . A 4 GLU H . 31277 1 19 . 1 . 1 4 4 GLU HA H 1 4.119 0.001 . 1 . . . . A 4 GLU HA . 31277 1 20 . 1 . 1 4 4 GLU HB2 H 1 2.033 0.000 . 2 . . . . A 4 GLU HB2 . 31277 1 21 . 1 . 1 4 4 GLU HB3 H 1 2.033 0.000 . 2 . . . . A 4 GLU HB3 . 31277 1 22 . 1 . 1 4 4 GLU HG2 H 1 2.339 0.000 . 2 . . . . A 4 GLU HG2 . 31277 1 23 . 1 . 1 5 5 ASP H H 1 8.075 0.001 . 1 . . . . A 5 ASP H . 31277 1 24 . 1 . 1 5 5 ASP HA H 1 4.513 0.001 . 1 . . . . A 5 ASP HA . 31277 1 25 . 1 . 1 5 5 ASP HB2 H 1 2.665 0.002 . 2 . . . . A 5 ASP HB2 . 31277 1 26 . 1 . 1 6 6 PHE H H 1 8.815 0.000 . 1 . . . . A 6 PHE H . 31277 1 27 . 1 . 1 6 6 PHE HA H 1 3.938 0.001 . 1 . . . . A 6 PHE HA . 31277 1 28 . 1 . 1 6 6 PHE HB2 H 1 3.414 0.002 . 2 . . . . A 6 PHE HB2 . 31277 1 29 . 1 . 1 6 6 PHE HB3 H 1 3.017 0.001 . 2 . . . . A 6 PHE HB3 . 31277 1 30 . 1 . 1 6 6 PHE HD1 H 1 7.178 0.001 . 3 . . . . A 6 PHE HD1 . 31277 1 31 . 1 . 1 6 6 PHE HD2 H 1 7.178 0.001 . 3 . . . . A 6 PHE HD2 . 31277 1 32 . 1 . 1 6 6 PHE HE1 H 1 6.586 0.001 . 3 . . . . A 6 PHE HE1 . 31277 1 33 . 1 . 1 6 6 PHE HE2 H 1 6.586 0.001 . 3 . . . . A 6 PHE HE2 . 31277 1 34 . 1 . 1 6 6 PHE HZ H 1 5.530 0.000 . 1 . . . . A 6 PHE HZ . 31277 1 35 . 1 . 1 7 7 LYS H H 1 7.877 0.001 . 1 . . . . A 7 LYS H . 31277 1 36 . 1 . 1 7 7 LYS HA H 1 4.342 0.001 . 1 . . . . A 7 LYS HA . 31277 1 37 . 1 . 1 7 7 LYS HB2 H 1 1.943 0.001 . 2 . . . . A 7 LYS HB2 . 31277 1 38 . 1 . 1 7 7 LYS HB3 H 1 1.907 0.001 . 2 . . . . A 7 LYS HB3 . 31277 1 39 . 1 . 1 7 7 LYS HG2 H 1 1.401 0.000 . 2 . . . . A 7 LYS HG2 . 31277 1 40 . 1 . 1 7 7 LYS HG3 H 1 1.285 0.005 . 2 . . . . A 7 LYS HG3 . 31277 1 41 . 1 . 1 7 7 LYS HD2 H 1 1.636 0.000 . 2 . . . . A 7 LYS HD2 . 31277 1 42 . 1 . 1 7 7 LYS HD3 H 1 1.636 0.000 . 2 . . . . A 7 LYS HD3 . 31277 1 43 . 1 . 1 7 7 LYS HE2 H 1 2.925 0.000 . 2 . . . . A 7 LYS HE2 . 31277 1 44 . 1 . 1 7 7 LYS HE3 H 1 2.925 0.000 . 2 . . . . A 7 LYS HE3 . 31277 1 45 . 1 . 1 8 8 ALA H H 1 7.800 0.000 . 1 . . . . A 8 ALA H . 31277 1 46 . 1 . 1 8 8 ALA HA H 1 4.103 0.000 . 1 . . . . A 8 ALA HA . 31277 1 47 . 1 . 1 8 8 ALA HB1 H 1 1.533 0.001 . 1 . . . . A 8 ALA HB1 . 31277 1 48 . 1 . 1 8 8 ALA HB2 H 1 1.533 0.001 . 1 . . . . A 8 ALA HB2 . 31277 1 49 . 1 . 1 8 8 ALA HB3 H 1 1.533 0.001 . 1 . . . . A 8 ALA HB3 . 31277 1 50 . 1 . 1 9 9 VAL H H 1 7.931 0.003 . 1 . . . . A 9 VAL H . 31277 1 51 . 1 . 1 9 9 VAL HA H 1 3.588 0.001 . 1 . . . . A 9 VAL HA . 31277 1 52 . 1 . 1 9 9 VAL HB H 1 1.534 0.003 . 1 . . . . A 9 VAL HB . 31277 1 53 . 1 . 1 9 9 VAL HG11 H 1 -0.051 0.000 . 2 . . . . A 9 VAL HG11 . 31277 1 54 . 1 . 1 9 9 VAL HG12 H 1 -0.051 0.000 . 2 . . . . A 9 VAL HG12 . 31277 1 55 . 1 . 1 9 9 VAL HG13 H 1 -0.051 0.000 . 2 . . . . A 9 VAL HG13 . 31277 1 56 . 1 . 1 9 9 VAL HG21 H 1 0.806 0.002 . 2 . . . . A 9 VAL HG21 . 31277 1 57 . 1 . 1 9 9 VAL HG22 H 1 0.806 0.002 . 2 . . . . A 9 VAL HG22 . 31277 1 58 . 1 . 1 9 9 VAL HG23 H 1 0.806 0.002 . 2 . . . . A 9 VAL HG23 . 31277 1 59 . 1 . 1 10 10 PHE H H 1 8.323 0.001 . 1 . . . . A 10 PHE H . 31277 1 60 . 1 . 1 10 10 PHE HA H 1 4.342 0.000 . 1 . . . . A 10 PHE HA . 31277 1 61 . 1 . 1 10 10 PHE HB2 H 1 3.067 0.001 . 2 . . . . A 10 PHE HB2 . 31277 1 62 . 1 . 1 10 10 PHE HB3 H 1 2.640 0.000 . 2 . . . . A 10 PHE HB3 . 31277 1 63 . 1 . 1 10 10 PHE HD1 H 1 6.531 0.002 . 3 . . . . A 10 PHE HD1 . 31277 1 64 . 1 . 1 10 10 PHE HD2 H 1 6.531 0.002 . 3 . . . . A 10 PHE HD2 . 31277 1 65 . 1 . 1 10 10 PHE HE1 H 1 6.736 0.001 . 3 . . . . A 10 PHE HE1 . 31277 1 66 . 1 . 1 10 10 PHE HE2 H 1 6.736 0.001 . 3 . . . . A 10 PHE HE2 . 31277 1 67 . 1 . 1 10 10 PHE HZ H 1 6.908 0.000 . 1 . . . . A 10 PHE HZ . 31277 1 68 . 1 . 1 11 11 GLY H H 1 8.398 0.001 . 1 . . . . A 11 GLY H . 31277 1 69 . 1 . 1 11 11 GLY HA2 H 1 3.913 0.003 . 2 . . . . A 11 GLY HA2 . 31277 1 70 . 1 . 1 12 12 NLE H H 1 7.394 0.002 . 1 . . . . A 12 NLE H . 31277 1 71 . 1 . 1 12 12 NLE HA H 1 4.739 0.001 . 1 . . . . A 12 NLE HA . 31277 1 72 . 1 . 1 12 12 NLE HB2 H 1 1.620 0.004 . 2 . . . . A 12 NLE HB2 . 31277 1 73 . 1 . 1 12 12 NLE HB3 H 1 2.055 0.000 . 2 . . . . A 12 NLE HB3 . 31277 1 74 . 1 . 1 12 12 NLE HD2 H 1 1.272 0.000 . 2 . . . . A 12 NLE HD2 . 31277 1 75 . 1 . 1 12 12 NLE HD3 H 1 1.376 0.002 . 2 . . . . A 12 NLE HD3 . 31277 1 76 . 1 . 1 12 12 NLE HE1 H 1 0.893 0.004 . 1 . . . . A 12 NLE HE1 . 31277 1 77 . 1 . 1 12 12 NLE HE2 H 1 0.893 0.004 . 1 . . . . A 12 NLE HE2 . 31277 1 78 . 1 . 1 12 12 NLE HE3 H 1 0.893 0.004 . 1 . . . . A 12 NLE HE3 . 31277 1 79 . 1 . 1 12 12 NLE HG2 H 1 1.277 0.000 . 2 . . . . A 12 NLE HG2 . 31277 1 80 . 1 . 1 12 12 NLE HG3 H 1 1.413 0.000 . 2 . . . . A 12 NLE HG3 . 31277 1 81 . 1 . 1 13 13 THR H H 1 8.130 0.001 . 1 . . . . A 13 THR H . 31277 1 82 . 1 . 1 13 13 THR HA H 1 4.516 0.001 . 1 . . . . A 13 THR HA . 31277 1 83 . 1 . 1 13 13 THR HB H 1 4.651 0.003 . 1 . . . . A 13 THR HB . 31277 1 84 . 1 . 1 13 13 THR HG21 H 1 1.357 0.000 . 1 . . . . A 13 THR HG21 . 31277 1 85 . 1 . 1 13 13 THR HG22 H 1 1.357 0.000 . 1 . . . . A 13 THR HG22 . 31277 1 86 . 1 . 1 13 13 THR HG23 H 1 1.357 0.000 . 1 . . . . A 13 THR HG23 . 31277 1 87 . 1 . 1 14 14 ARG H H 1 8.757 0.001 . 1 . . . . A 14 ARG H . 31277 1 88 . 1 . 1 14 14 ARG HA H 1 3.254 0.001 . 1 . . . . A 14 ARG HA . 31277 1 89 . 1 . 1 14 14 ARG HB2 H 1 1.332 0.000 . 2 . . . . A 14 ARG HB2 . 31277 1 90 . 1 . 1 14 14 ARG HB3 H 1 1.103 0.001 . 2 . . . . A 14 ARG HB3 . 31277 1 91 . 1 . 1 14 14 ARG HG2 H 1 0.808 0.001 . 2 . . . . A 14 ARG HG2 . 31277 1 92 . 1 . 1 14 14 ARG HG3 H 1 0.622 0.001 . 2 . . . . A 14 ARG HG3 . 31277 1 93 . 1 . 1 14 14 ARG HD2 H 1 2.859 0.001 . 2 . . . . A 14 ARG HD2 . 31277 1 94 . 1 . 1 14 14 ARG HD3 H 1 2.750 0.000 . 2 . . . . A 14 ARG HD3 . 31277 1 95 . 1 . 1 14 14 ARG HE H 1 7.046 0.002 . 1 . . . . A 14 ARG HE . 31277 1 96 . 1 . 1 15 15 SER H H 1 8.190 0.001 . 1 . . . . A 15 SER H . 31277 1 97 . 1 . 1 15 15 SER HA H 1 4.076 0.000 . 1 . . . . A 15 SER HA . 31277 1 98 . 1 . 1 15 15 SER HB2 H 1 3.795 0.001 . 2 . . . . A 15 SER HB2 . 31277 1 99 . 1 . 1 15 15 SER HB3 H 1 3.757 0.001 . 2 . . . . A 15 SER HB3 . 31277 1 100 . 1 . 1 16 16 ALA H H 1 7.705 0.002 . 1 . . . . A 16 ALA H . 31277 1 101 . 1 . 1 16 16 ALA HA H 1 4.082 0.000 . 1 . . . . A 16 ALA HA . 31277 1 102 . 1 . 1 16 16 ALA HB1 H 1 1.462 0.002 . 1 . . . . A 16 ALA HB1 . 31277 1 103 . 1 . 1 16 16 ALA HB2 H 1 1.462 0.002 . 1 . . . . A 16 ALA HB2 . 31277 1 104 . 1 . 1 16 16 ALA HB3 H 1 1.462 0.002 . 1 . . . . A 16 ALA HB3 . 31277 1 105 . 1 . 1 17 17 A1APM H H 1 8.664 0.001 . 1 . . . . A 17 A1APM H . 31277 1 106 . 1 . 1 17 17 A1APM HB2 H 1 2.802 0.001 . 2 . . . . A 17 A1APM HB2 . 31277 1 107 . 1 . 1 17 17 A1APM HB3 H 1 3.508 0.001 . 2 . . . . A 17 A1APM HB3 . 31277 1 108 . 1 . 1 17 17 A1APM HD1 H 1 6.789 0.003 . . . . . . A 17 A1APM HD1 . 31277 1 109 . 1 . 1 17 17 A1APM HD2 H 1 6.789 0.003 . . . . . . A 17 A1APM HD2 . 31277 1 110 . 1 . 1 17 17 A1APM HE1 H 1 6.892 0.000 . . . . . . A 17 A1APM HE1 . 31277 1 111 . 1 . 1 17 17 A1APM HE2 H 1 6.892 0.000 . . . . . . A 17 A1APM HE2 . 31277 1 112 . 1 . 1 17 17 A1APM HM1 H 1 1.230 0.000 . 1 . . . . A 17 A1APM HM1 . 31277 1 113 . 1 . 1 17 17 A1APM HM11 H 1 1.230 0.000 . 1 . . . . A 17 A1APM HM11 . 31277 1 114 . 1 . 1 17 17 A1APM HM2 H 1 1.230 0.000 . 1 . . . . A 17 A1APM HM2 . 31277 1 115 . 1 . 1 17 17 A1APM HZ H 1 6.996 0.000 . 1 . . . . A 17 A1APM HZ . 31277 1 116 . 1 . 1 18 18 ALA H H 1 7.661 0.001 . 1 . . . . A 18 ALA H . 31277 1 117 . 1 . 1 18 18 ALA HA H 1 3.991 0.001 . 1 . . . . A 18 ALA HA . 31277 1 118 . 1 . 1 18 18 ALA HB1 H 1 1.467 0.001 . 1 . . . . A 18 ALA HB1 . 31277 1 119 . 1 . 1 18 18 ALA HB2 H 1 1.467 0.001 . 1 . . . . A 18 ALA HB2 . 31277 1 120 . 1 . 1 18 18 ALA HB3 H 1 1.467 0.001 . 1 . . . . A 18 ALA HB3 . 31277 1 121 . 1 . 1 19 19 ASN H H 1 7.602 0.001 . 1 . . . . A 19 ASN H . 31277 1 122 . 1 . 1 19 19 ASN HA H 1 4.686 0.001 . 1 . . . . A 19 ASN HA . 31277 1 123 . 1 . 1 19 19 ASN HB2 H 1 2.871 0.001 . 2 . . . . A 19 ASN HB2 . 31277 1 124 . 1 . 1 19 19 ASN HB3 H 1 2.718 0.003 . 2 . . . . A 19 ASN HB3 . 31277 1 125 . 1 . 1 19 19 ASN HD21 H 1 6.914 0.000 . 2 . . . . A 19 ASN HD21 . 31277 1 126 . 1 . 1 19 19 ASN HD22 H 1 7.514 0.002 . 2 . . . . A 19 ASN HD22 . 31277 1 127 . 1 . 1 20 20 LEU H H 1 7.343 0.001 . 1 . . . . A 20 LEU H . 31277 1 128 . 1 . 1 20 20 LEU HA H 1 4.469 0.000 . 1 . . . . A 20 LEU HA . 31277 1 129 . 1 . 1 20 20 LEU HB2 H 1 1.514 0.001 . 2 . . . . A 20 LEU HB2 . 31277 1 130 . 1 . 1 20 20 LEU HB3 H 1 1.007 0.002 . 2 . . . . A 20 LEU HB3 . 31277 1 131 . 1 . 1 20 20 LEU HG H 1 1.652 0.001 . 1 . . . . A 20 LEU HG . 31277 1 132 . 1 . 1 20 20 LEU HD11 H 1 0.541 0.002 . 2 . . . . A 20 LEU HD11 . 31277 1 133 . 1 . 1 20 20 LEU HD12 H 1 0.541 0.002 . 2 . . . . A 20 LEU HD12 . 31277 1 134 . 1 . 1 20 20 LEU HD13 H 1 0.541 0.002 . 2 . . . . A 20 LEU HD13 . 31277 1 135 . 1 . 1 20 20 LEU HD21 H 1 0.756 0.001 . 2 . . . . A 20 LEU HD21 . 31277 1 136 . 1 . 1 20 20 LEU HD22 H 1 0.756 0.001 . 2 . . . . A 20 LEU HD22 . 31277 1 137 . 1 . 1 20 20 LEU HD23 H 1 0.756 0.001 . 2 . . . . A 20 LEU HD23 . 31277 1 138 . 1 . 1 21 21 PRO HA H 1 4.361 0.001 . 1 . . . . A 21 PRO HA . 31277 1 139 . 1 . 1 21 21 PRO HB2 H 1 2.383 0.004 . 2 . . . . A 21 PRO HB2 . 31277 1 140 . 1 . 1 21 21 PRO HB3 H 1 1.166 0.003 . 2 . . . . A 21 PRO HB3 . 31277 1 141 . 1 . 1 21 21 PRO HG2 H 1 2.084 0.003 . 2 . . . . A 21 PRO HG2 . 31277 1 142 . 1 . 1 21 21 PRO HG3 H 1 1.647 0.001 . 2 . . . . A 21 PRO HG3 . 31277 1 143 . 1 . 1 21 21 PRO HD2 H 1 3.798 0.001 . 2 . . . . A 21 PRO HD2 . 31277 1 144 . 1 . 1 21 21 PRO HD3 H 1 3.144 0.001 . 2 . . . . A 21 PRO HD3 . 31277 1 145 . 1 . 1 22 22 LEU H H 1 8.880 0.000 . 1 . . . . A 22 LEU H . 31277 1 146 . 1 . 1 22 22 LEU HA H 1 3.800 0.001 . 1 . . . . A 22 LEU HA . 31277 1 147 . 1 . 1 22 22 LEU HB2 H 1 1.734 0.001 . 2 . . . . A 22 LEU HB2 . 31277 1 148 . 1 . 1 22 22 LEU HB3 H 1 1.734 0.001 . 2 . . . . A 22 LEU HB3 . 31277 1 149 . 1 . 1 22 22 LEU HG H 1 1.624 0.003 . 1 . . . . A 22 LEU HG . 31277 1 150 . 1 . 1 22 22 LEU HD11 H 1 0.919 0.000 . 2 . . . . A 22 LEU HD11 . 31277 1 151 . 1 . 1 22 22 LEU HD12 H 1 0.919 0.000 . 2 . . . . A 22 LEU HD12 . 31277 1 152 . 1 . 1 22 22 LEU HD13 H 1 0.919 0.000 . 2 . . . . A 22 LEU HD13 . 31277 1 153 . 1 . 1 22 22 LEU HD21 H 1 0.953 0.000 . 2 . . . . A 22 LEU HD21 . 31277 1 154 . 1 . 1 22 22 LEU HD22 H 1 0.953 0.000 . 2 . . . . A 22 LEU HD22 . 31277 1 155 . 1 . 1 22 22 LEU HD23 H 1 0.953 0.000 . 2 . . . . A 22 LEU HD23 . 31277 1 156 . 1 . 1 23 23 TRP H H 1 8.087 0.001 . 1 . . . . A 23 TRP H . 31277 1 157 . 1 . 1 23 23 TRP HA H 1 4.417 0.000 . 1 . . . . A 23 TRP HA . 31277 1 158 . 1 . 1 23 23 TRP HB2 H 1 3.486 0.001 . 2 . . . . A 23 TRP HB2 . 31277 1 159 . 1 . 1 23 23 TRP HB3 H 1 3.232 0.003 . 2 . . . . A 23 TRP HB3 . 31277 1 160 . 1 . 1 23 23 TRP HD1 H 1 7.550 0.001 . 1 . . . . A 23 TRP HD1 . 31277 1 161 . 1 . 1 23 23 TRP HE1 H 1 10.532 0.000 . 1 . . . . A 23 TRP HE1 . 31277 1 162 . 1 . 1 23 23 TRP HE3 H 1 7.389 0.002 . 1 . . . . A 23 TRP HE3 . 31277 1 163 . 1 . 1 23 23 TRP HZ2 H 1 7.515 0.003 . 1 . . . . A 23 TRP HZ2 . 31277 1 164 . 1 . 1 23 23 TRP HZ3 H 1 7.096 0.002 . 1 . . . . A 23 TRP HZ3 . 31277 1 165 . 1 . 1 23 23 TRP HH2 H 1 7.246 0.001 . 1 . . . . A 23 TRP HH2 . 31277 1 166 . 1 . 1 24 24 LYS H H 1 6.219 0.002 . 1 . . . . A 24 LYS H . 31277 1 167 . 1 . 1 24 24 LYS HA H 1 3.687 0.001 . 1 . . . . A 24 LYS HA . 31277 1 168 . 1 . 1 24 24 LYS HB2 H 1 1.306 0.001 . 2 . . . . A 24 LYS HB2 . 31277 1 169 . 1 . 1 24 24 LYS HB3 H 1 0.650 0.004 . 2 . . . . A 24 LYS HB3 . 31277 1 170 . 1 . 1 24 24 LYS HG2 H 1 0.402 0.004 . 2 . . . . A 24 LYS HG2 . 31277 1 171 . 1 . 1 24 24 LYS HG3 H 1 0.402 0.004 . 2 . . . . A 24 LYS HG3 . 31277 1 172 . 1 . 1 24 24 LYS HD2 H 1 1.387 0.003 . 2 . . . . A 24 LYS HD2 . 31277 1 173 . 1 . 1 24 24 LYS HD3 H 1 1.387 0.003 . 2 . . . . A 24 LYS HD3 . 31277 1 174 . 1 . 1 24 24 LYS HE2 H 1 2.811 0.001 . 2 . . . . A 24 LYS HE2 . 31277 1 175 . 1 . 1 24 24 LYS HE3 H 1 2.724 0.000 . 2 . . . . A 24 LYS HE3 . 31277 1 176 . 1 . 1 25 25 GLN H H 1 7.684 0.001 . 1 . . . . A 25 GLN H . 31277 1 177 . 1 . 1 25 25 GLN HA H 1 3.308 0.000 . 1 . . . . A 25 GLN HA . 31277 1 178 . 1 . 1 25 25 GLN HB2 H 1 2.121 0.003 . 2 . . . . A 25 GLN HB2 . 31277 1 179 . 1 . 1 25 25 GLN HB3 H 1 1.947 0.001 . 2 . . . . A 25 GLN HB3 . 31277 1 180 . 1 . 1 25 25 GLN HG2 H 1 1.888 0.002 . 2 . . . . A 25 GLN HG2 . 31277 1 181 . 1 . 1 25 25 GLN HG3 H 1 1.148 0.000 . 2 . . . . A 25 GLN HG3 . 31277 1 182 . 1 . 1 25 25 GLN HE21 H 1 6.644 0.001 . 2 . . . . A 25 GLN HE21 . 31277 1 183 . 1 . 1 25 25 GLN HE22 H 1 7.497 0.000 . 2 . . . . A 25 GLN HE22 . 31277 1 184 . 1 . 1 26 26 GLN H H 1 8.294 0.001 . 1 . . . . A 26 GLN H . 31277 1 185 . 1 . 1 26 26 GLN HA H 1 4.042 0.001 . 1 . . . . A 26 GLN HA . 31277 1 186 . 1 . 1 26 26 GLN HB2 H 1 2.244 0.000 . 2 . . . . A 26 GLN HB2 . 31277 1 187 . 1 . 1 26 26 GLN HB3 H 1 2.076 0.000 . 2 . . . . A 26 GLN HB3 . 31277 1 188 . 1 . 1 26 26 GLN HG2 H 1 2.542 0.000 . 2 . . . . A 26 GLN HG2 . 31277 1 189 . 1 . 1 26 26 GLN HG3 H 1 2.443 0.002 . 2 . . . . A 26 GLN HG3 . 31277 1 190 . 1 . 1 26 26 GLN HE21 H 1 6.998 0.000 . 2 . . . . A 26 GLN HE21 . 31277 1 191 . 1 . 1 26 26 GLN HE22 H 1 7.508 0.002 . 2 . . . . A 26 GLN HE22 . 31277 1 192 . 1 . 1 27 27 ASN H H 1 7.777 0.000 . 1 . . . . A 27 ASN H . 31277 1 193 . 1 . 1 27 27 ASN HA H 1 4.550 0.000 . 1 . . . . A 27 ASN HA . 31277 1 194 . 1 . 1 27 27 ASN HB2 H 1 2.944 0.000 . 2 . . . . A 27 ASN HB2 . 31277 1 195 . 1 . 1 27 27 ASN HB3 H 1 2.944 0.000 . 2 . . . . A 27 ASN HB3 . 31277 1 196 . 1 . 1 27 27 ASN HD21 H 1 7.269 0.003 . 2 . . . . A 27 ASN HD21 . 31277 1 197 . 1 . 1 27 27 ASN HD22 H 1 7.864 0.000 . 2 . . . . A 27 ASN HD22 . 31277 1 198 . 1 . 1 28 28 LEU H H 1 8.181 0.001 . 1 . . . . A 28 LEU H . 31277 1 199 . 1 . 1 28 28 LEU HA H 1 4.257 0.001 . 1 . . . . A 28 LEU HA . 31277 1 200 . 1 . 1 28 28 LEU HB2 H 1 1.997 0.000 . 2 . . . . A 28 LEU HB2 . 31277 1 201 . 1 . 1 28 28 LEU HB3 H 1 1.660 0.000 . 2 . . . . A 28 LEU HB3 . 31277 1 202 . 1 . 1 28 28 LEU HG H 1 1.779 0.002 . 1 . . . . A 28 LEU HG . 31277 1 203 . 1 . 1 28 28 LEU HD11 H 1 0.791 0.002 . 2 . . . . A 28 LEU HD11 . 31277 1 204 . 1 . 1 28 28 LEU HD12 H 1 0.791 0.002 . 2 . . . . A 28 LEU HD12 . 31277 1 205 . 1 . 1 28 28 LEU HD13 H 1 0.791 0.002 . 2 . . . . A 28 LEU HD13 . 31277 1 206 . 1 . 1 28 28 LEU HD21 H 1 0.979 0.002 . 2 . . . . A 28 LEU HD21 . 31277 1 207 . 1 . 1 28 28 LEU HD22 H 1 0.979 0.002 . 2 . . . . A 28 LEU HD22 . 31277 1 208 . 1 . 1 28 28 LEU HD23 H 1 0.979 0.002 . 2 . . . . A 28 LEU HD23 . 31277 1 209 . 1 . 1 29 29 LYS H H 1 8.118 0.002 . 1 . . . . A 29 LYS H . 31277 1 210 . 1 . 1 29 29 LYS HA H 1 4.100 0.001 . 1 . . . . A 29 LYS HA . 31277 1 211 . 1 . 1 29 29 LYS HB2 H 1 2.021 0.006 . 2 . . . . A 29 LYS HB2 . 31277 1 212 . 1 . 1 29 29 LYS HB3 H 1 2.021 0.006 . 2 . . . . A 29 LYS HB3 . 31277 1 213 . 1 . 1 29 29 LYS HG2 H 1 1.907 0.001 . 2 . . . . A 29 LYS HG2 . 31277 1 214 . 1 . 1 29 29 LYS HG3 H 1 1.416 0.004 . 2 . . . . A 29 LYS HG3 . 31277 1 215 . 1 . 1 29 29 LYS HD2 H 1 1.778 0.003 . 2 . . . . A 29 LYS HD2 . 31277 1 216 . 1 . 1 29 29 LYS HD3 H 1 1.778 0.003 . 2 . . . . A 29 LYS HD3 . 31277 1 217 . 1 . 1 29 29 LYS HE2 H 1 2.916 0.002 . 2 . . . . A 29 LYS HE2 . 31277 1 218 . 1 . 1 29 29 LYS HE3 H 1 2.916 0.002 . 2 . . . . A 29 LYS HE3 . 31277 1 219 . 1 . 1 30 30 LYS H H 1 8.150 0.002 . 1 . . . . A 30 LYS H . 31277 1 220 . 1 . 1 30 30 LYS HA H 1 4.146 0.003 . 1 . . . . A 30 LYS HA . 31277 1 221 . 1 . 1 30 30 LYS HB2 H 1 2.004 0.003 . 2 . . . . A 30 LYS HB2 . 31277 1 222 . 1 . 1 30 30 LYS HB3 H 1 2.004 0.003 . 2 . . . . A 30 LYS HB3 . 31277 1 223 . 1 . 1 30 30 LYS HG2 H 1 1.555 0.000 . 2 . . . . A 30 LYS HG2 . 31277 1 224 . 1 . 1 30 30 LYS HG3 H 1 1.435 0.001 . 2 . . . . A 30 LYS HG3 . 31277 1 225 . 1 . 1 30 30 LYS HD2 H 1 1.715 0.001 . 2 . . . . A 30 LYS HD2 . 31277 1 226 . 1 . 1 30 30 LYS HD3 H 1 1.715 0.001 . 2 . . . . A 30 LYS HD3 . 31277 1 227 . 1 . 1 30 30 LYS HE2 H 1 2.917 0.003 . 2 . . . . A 30 LYS HE2 . 31277 1 228 . 1 . 1 30 30 LYS HE3 H 1 2.917 0.003 . 2 . . . . A 30 LYS HE3 . 31277 1 229 . 1 . 1 31 31 GLU H H 1 8.368 0.001 . 1 . . . . A 31 GLU H . 31277 1 230 . 1 . 1 31 31 GLU HA H 1 4.136 0.001 . 1 . . . . A 31 GLU HA . 31277 1 231 . 1 . 1 31 31 GLU HB2 H 1 2.187 0.001 . 2 . . . . A 31 GLU HB2 . 31277 1 232 . 1 . 1 31 31 GLU HG2 H 1 2.335 0.000 . 2 . . . . A 31 GLU HG2 . 31277 1 233 . 1 . 1 32 32 LYS H H 1 7.804 0.002 . 1 . . . . A 32 LYS H . 31277 1 234 . 1 . 1 32 32 LYS HA H 1 4.367 0.001 . 1 . . . . A 32 LYS HA . 31277 1 235 . 1 . 1 32 32 LYS HB2 H 1 1.735 0.000 . 2 . . . . A 32 LYS HB2 . 31277 1 236 . 1 . 1 32 32 LYS HB3 H 1 1.689 0.001 . 2 . . . . A 32 LYS HB3 . 31277 1 237 . 1 . 1 32 32 LYS HG2 H 1 1.509 0.000 . 2 . . . . A 32 LYS HG2 . 31277 1 238 . 1 . 1 32 32 LYS HG3 H 1 1.167 0.000 . 2 . . . . A 32 LYS HG3 . 31277 1 239 . 1 . 1 32 32 LYS HD2 H 1 1.560 0.001 . 2 . . . . A 32 LYS HD2 . 31277 1 240 . 1 . 1 32 32 LYS HD3 H 1 1.467 0.001 . 2 . . . . A 32 LYS HD3 . 31277 1 241 . 1 . 1 32 32 LYS HE2 H 1 2.906 0.000 . 2 . . . . A 32 LYS HE2 . 31277 1 242 . 1 . 1 32 32 LYS HE3 H 1 2.906 0.000 . 2 . . . . A 32 LYS HE3 . 31277 1 243 . 1 . 1 33 33 GLY H H 1 7.941 0.001 . 1 . . . . A 33 GLY H . 31277 1 244 . 1 . 1 33 33 GLY HA2 H 1 3.873 0.001 . 2 . . . . A 33 GLY HA2 . 31277 1 245 . 1 . 1 34 34 LEU H H 1 8.010 0.000 . 1 . . . . A 34 LEU H . 31277 1 246 . 1 . 1 34 34 LEU HA H 1 4.345 0.001 . 1 . . . . A 34 LEU HA . 31277 1 247 . 1 . 1 34 34 LEU HB2 H 1 1.528 0.000 . 2 . . . . A 34 LEU HB2 . 31277 1 248 . 1 . 1 34 34 LEU HB3 H 1 1.441 0.008 . 2 . . . . A 34 LEU HB3 . 31277 1 249 . 1 . 1 34 34 LEU HG H 1 1.487 0.000 . 1 . . . . A 34 LEU HG . 31277 1 250 . 1 . 1 34 34 LEU HD11 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD11 . 31277 1 251 . 1 . 1 34 34 LEU HD12 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD12 . 31277 1 252 . 1 . 1 34 34 LEU HD13 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD13 . 31277 1 253 . 1 . 1 34 34 LEU HD21 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD21 . 31277 1 254 . 1 . 1 34 34 LEU HD22 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD22 . 31277 1 255 . 1 . 1 34 34 LEU HD23 H 1 0.810 0.001 . 2 . . . . A 34 LEU HD23 . 31277 1 256 . 1 . 1 35 35 PHE H H 1 8.125 0.001 . 1 . . . . A 35 PHE H . 31277 1 257 . 1 . 1 35 35 PHE HA H 1 4.580 0.000 . 1 . . . . A 35 PHE HA . 31277 1 258 . 1 . 1 35 35 PHE HB2 H 1 3.184 0.001 . 2 . . . . A 35 PHE HB2 . 31277 1 259 . 1 . 1 35 35 PHE HB3 H 1 2.956 0.001 . 2 . . . . A 35 PHE HB3 . 31277 1 260 . 1 . 1 35 35 PHE HD1 H 1 7.265 0.001 . 3 . . . . A 35 PHE HD1 . 31277 1 261 . 1 . 1 35 35 PHE HD2 H 1 7.265 0.001 . 3 . . . . A 35 PHE HD2 . 31277 1 262 . 1 . 1 35 35 PHE HE1 H 1 7.370 0.001 . 3 . . . . A 35 PHE HE1 . 31277 1 263 . 1 . 1 35 35 PHE HE2 H 1 7.370 0.001 . 3 . . . . A 35 PHE HE2 . 31277 1 264 . 1 . 1 35 35 PHE HZ H 1 7.306 0.000 . 1 . . . . A 35 PHE HZ . 31277 1 265 . 1 . 1 36 36 NH2 HN1 H 1 7.158 0.000 . 2 . . . . A 36 NH2 HN1 . 31277 1 266 . 1 . 1 36 36 NH2 HN2 H 1 7.441 0.003 . 2 . . . . A 36 NH2 HN2 . 31277 1 stop_ save_