################################### # 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 30674 _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' . . . 30674 1 2 '2D 1H-1H COSY' . . . 30674 1 3 '2D 1H-1H NOESY' . . . 30674 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 ARG HA H 1 3.940 0.002 . 1 . . . . A 1 ARG HA . 30674 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.615 0.000 . 1 . . . . A 1 ARG HB2 . 30674 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.615 0.000 . 1 . . . . A 1 ARG HB3 . 30674 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.563 0.000 . 1 . . . . A 1 ARG HG2 . 30674 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.563 0.000 . 1 . . . . A 1 ARG HG3 . 30674 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.077 0.000 . 1 . . . . A 1 ARG HD2 . 30674 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.077 0.000 . 1 . . . . A 1 ARG HD3 . 30674 1 8 . 1 . 1 2 2 PRO HA H 1 4.444 0.002 . 1 . . . . A 2 PRO HA . 30674 1 9 . 1 . 1 2 2 PRO HB2 H 1 2.148 0.001 . 2 . . . . A 2 PRO HB2 . 30674 1 10 . 1 . 1 2 2 PRO HB3 H 1 1.538 0.000 . 2 . . . . A 2 PRO HB3 . 30674 1 11 . 1 . 1 2 2 PRO HG2 H 1 1.938 0.003 . 2 . . . . A 2 PRO HG2 . 30674 1 12 . 1 . 1 2 2 PRO HG3 H 1 1.818 0.003 . 2 . . . . A 2 PRO HG3 . 30674 1 13 . 1 . 1 2 2 PRO HD2 H 1 3.723 0.003 . 2 . . . . A 2 PRO HD2 . 30674 1 14 . 1 . 1 2 2 PRO HD3 H 1 3.647 0.002 . 2 . . . . A 2 PRO HD3 . 30674 1 15 . 1 . 1 3 3 PHE H H 1 8.395 0.000 . 1 . . . . A 3 PHE H . 30674 1 16 . 1 . 1 3 3 PHE HA H 1 4.641 0.003 . 1 . . . . A 3 PHE HA . 30674 1 17 . 1 . 1 3 3 PHE HB2 H 1 3.055 0.001 . 2 . . . . A 3 PHE HB2 . 30674 1 18 . 1 . 1 3 3 PHE HB3 H 1 2.952 0.001 . 2 . . . . A 3 PHE HB3 . 30674 1 19 . 1 . 1 3 3 PHE HD1 H 1 7.176 0.000 . 1 . . . . A 3 PHE HD1 . 30674 1 20 . 1 . 1 3 3 PHE HD2 H 1 7.176 0.000 . 1 . . . . A 3 PHE HD2 . 30674 1 21 . 1 . 1 3 3 PHE HE1 H 1 7.437 0.000 . 1 . . . . A 3 PHE HE1 . 30674 1 22 . 1 . 1 3 3 PHE HE2 H 1 7.437 0.000 . 1 . . . . A 3 PHE HE2 . 30674 1 23 . 1 . 1 3 3 PHE HZ H 1 7.402 0.000 . 1 . . . . A 3 PHE HZ . 30674 1 24 . 1 . 1 4 4 NLE H H 1 8.403 0.000 . 1 . . . . A 4 NLE H . 30674 1 25 . 1 . 1 4 4 NLE HA H 1 4.927 0.003 . 1 . . . . A 4 NLE HA . 30674 1 26 . 1 . 1 4 4 NLE HB2 H 1 1.539 0.004 . 2 . . . . A 4 NLE HB2 . 30674 1 27 . 1 . 1 4 4 NLE HB3 H 1 1.717 0.005 . 2 . . . . A 4 NLE HB3 . 30674 1 28 . 1 . 1 4 4 NLE QD H 1 1.201 0.003 . 1 . . . . A 4 NLE QD . 30674 1 29 . 1 . 1 4 4 NLE QE H 1 0.806 0.002 . 1 . . . . A 4 NLE QE . 30674 1 30 . 1 . 1 4 4 NLE QG H 1 1.119 0.005 . 1 . . . . A 4 NLE QG . 30674 1 31 . 1 . 1 5 5 CYS H H 1 9.053 0.001 . 1 . . . . A 5 CYS H . 30674 1 32 . 1 . 1 5 5 CYS HA H 1 4.555 0.000 . 1 . . . . A 5 CYS HA . 30674 1 33 . 1 . 1 5 5 CYS HB2 H 1 3.410 0.001 . 2 . . . . A 5 CYS HB2 . 30674 1 34 . 1 . 1 5 5 CYS HB3 H 1 2.900 0.001 . 2 . . . . A 5 CYS HB3 . 30674 1 35 . 1 . 1 6 6 THR HA H 1 4.426 0.001 . 1 . . . . A 6 THR HA . 30674 1 36 . 1 . 1 6 6 THR HB H 1 4.628 0.002 . 1 . . . . A 6 THR HB . 30674 1 37 . 1 . 1 6 6 THR HG21 H 1 1.277 0.001 . 1 . . . . A 6 THR HG21 . 30674 1 38 . 1 . 1 6 6 THR HG22 H 1 1.277 0.001 . 1 . . . . A 6 THR HG22 . 30674 1 39 . 1 . 1 6 6 THR HG23 H 1 1.277 0.001 . 1 . . . . A 6 THR HG23 . 30674 1 40 . 1 . 1 7 7 TRP H H 1 8.969 0.000 . 1 . . . . A 7 TRP H . 30674 1 41 . 1 . 1 7 7 TRP HA H 1 4.100 0.001 . 1 . . . . A 7 TRP HA . 30674 1 42 . 1 . 1 7 7 TRP HB2 H 1 2.813 0.003 . 2 . . . . A 7 TRP HB2 . 30674 1 43 . 1 . 1 7 7 TRP HB3 H 1 2.571 0.003 . 2 . . . . A 7 TRP HB3 . 30674 1 44 . 1 . 1 7 7 TRP HD1 H 1 6.972 0.000 . 1 . . . . A 7 TRP HD1 . 30674 1 45 . 1 . 1 7 7 TRP HE1 H 1 10.029 0.000 . 1 . . . . A 7 TRP HE1 . 30674 1 46 . 1 . 1 7 7 TRP HE3 H 1 7.460 0.000 . 1 . . . . A 7 TRP HE3 . 30674 1 47 . 1 . 1 7 7 TRP HZ2 H 1 7.473 0.001 . 1 . . . . A 7 TRP HZ2 . 30674 1 48 . 1 . 1 7 7 TRP HZ3 H 1 7.085 0.001 . 1 . . . . A 7 TRP HZ3 . 30674 1 49 . 1 . 1 7 7 TRP HH2 H 1 7.146 0.002 . 1 . . . . A 7 TRP HH2 . 30674 1 50 . 1 . 1 8 8 SER HA H 1 3.778 0.000 . 1 . . . . A 8 SER HA . 30674 1 51 . 1 . 1 8 8 SER HB2 H 1 3.348 0.000 . 1 . . . . A 8 SER HB2 . 30674 1 52 . 1 . 1 8 8 SER HB3 H 1 3.348 0.000 . 1 . . . . A 8 SER HB3 . 30674 1 53 . 1 . 1 9 9 TYR H H 1 8.379 0.001 . 1 . . . . A 9 TYR H . 30674 1 54 . 1 . 1 9 9 TYR HA H 1 4.205 0.001 . 1 . . . . A 9 TYR HA . 30674 1 55 . 1 . 1 9 9 TYR HB2 H 1 3.345 0.001 . 2 . . . . A 9 TYR HB2 . 30674 1 56 . 1 . 1 9 9 TYR HB3 H 1 3.178 0.002 . 2 . . . . A 9 TYR HB3 . 30674 1 57 . 1 . 1 9 9 TYR HD1 H 1 7.107 0.000 . 1 . . . . A 9 TYR HD1 . 30674 1 58 . 1 . 1 9 9 TYR HD2 H 1 7.107 0.000 . 1 . . . . A 9 TYR HD2 . 30674 1 59 . 1 . 1 9 9 TYR HE1 H 1 6.845 0.000 . 1 . . . . A 9 TYR HE1 . 30674 1 60 . 1 . 1 9 9 TYR HE2 H 1 6.845 0.000 . 1 . . . . A 9 TYR HE2 . 30674 1 61 . 1 . 1 10 10 CYS H H 1 7.960 0.000 . 1 . . . . A 10 CYS H . 30674 1 62 . 1 . 1 10 10 CYS HA H 1 4.653 0.001 . 1 . . . . A 10 CYS HA . 30674 1 63 . 1 . 1 10 10 CYS HB2 H 1 3.263 0.001 . 2 . . . . A 10 CYS HB2 . 30674 1 64 . 1 . 1 10 10 CYS HB3 H 1 2.942 0.002 . 2 . . . . A 10 CYS HB3 . 30674 1 65 . 1 . 1 11 11 GLY H H 1 8.412 0.000 . 1 . . . . A 11 GLY H . 30674 1 66 . 1 . 1 11 11 GLY HA2 H 1 4.021 0.000 . 2 . . . . A 11 GLY HA2 . 30674 1 67 . 1 . 1 11 11 GLY HA3 H 1 3.949 0.003 . 2 . . . . A 11 GLY HA3 . 30674 1 68 . 1 . 1 12 12 LYS H H 1 8.041 0.001 . 1 . . . . A 12 LYS H . 30674 1 69 . 1 . 1 12 12 LYS HA H 1 3.993 0.002 . 1 . . . . A 12 LYS HA . 30674 1 70 . 1 . 1 12 12 LYS HB2 H 1 1.361 0.002 . 1 . . . . A 12 LYS HB2 . 30674 1 71 . 1 . 1 12 12 LYS HB3 H 1 1.361 0.002 . 1 . . . . A 12 LYS HB3 . 30674 1 72 . 1 . 1 12 12 LYS HG2 H 1 1.246 0.001 . 1 . . . . A 12 LYS HG2 . 30674 1 73 . 1 . 1 12 12 LYS HG3 H 1 1.246 0.001 . 1 . . . . A 12 LYS HG3 . 30674 1 74 . 1 . 1 12 12 LYS HD2 H 1 1.498 0.002 . 2 . . . . A 12 LYS HD2 . 30674 1 75 . 1 . 1 12 12 LYS HD3 H 1 1.414 0.006 . 2 . . . . A 12 LYS HD3 . 30674 1 76 . 1 . 1 12 12 LYS HE2 H 1 3.018 0.000 . 1 . . . . A 12 LYS HE2 . 30674 1 77 . 1 . 1 12 12 LYS HE3 H 1 3.018 0.000 . 1 . . . . A 12 LYS HE3 . 30674 1 78 . 1 . 1 13 13 ARG H H 1 7.786 0.002 . 1 . . . . A 13 ARG H . 30674 1 79 . 1 . 1 13 13 ARG HA H 1 5.077 0.001 . 1 . . . . A 13 ARG HA . 30674 1 80 . 1 . 1 13 13 ARG HB2 H 1 1.459 0.000 . 1 . . . . A 13 ARG HB2 . 30674 1 81 . 1 . 1 13 13 ARG HB3 H 1 1.459 0.000 . 1 . . . . A 13 ARG HB3 . 30674 1 82 . 1 . 1 13 13 ARG HG2 H 1 1.658 0.000 . 1 . . . . A 13 ARG HG2 . 30674 1 83 . 1 . 1 13 13 ARG HG3 H 1 1.658 0.000 . 1 . . . . A 13 ARG HG3 . 30674 1 84 . 1 . 1 13 13 ARG HD2 H 1 3.124 0.000 . 1 . . . . A 13 ARG HD2 . 30674 1 85 . 1 . 1 13 13 ARG HD3 H 1 3.124 0.000 . 1 . . . . A 13 ARG HD3 . 30674 1 86 . 1 . 1 14 14 PHE H H 1 8.807 0.000 . 1 . . . . A 14 PHE H . 30674 1 87 . 1 . 1 14 14 PHE HA H 1 4.879 0.002 . 1 . . . . A 14 PHE HA . 30674 1 88 . 1 . 1 14 14 PHE HB2 H 1 3.603 0.000 . 2 . . . . A 14 PHE HB2 . 30674 1 89 . 1 . 1 14 14 PHE HB3 H 1 2.656 0.000 . 2 . . . . A 14 PHE HB3 . 30674 1 90 . 1 . 1 14 14 PHE HD1 H 1 7.202 0.002 . 1 . . . . A 14 PHE HD1 . 30674 1 91 . 1 . 1 14 14 PHE HD2 H 1 7.202 0.002 . 1 . . . . A 14 PHE HD2 . 30674 1 92 . 1 . 1 14 14 PHE HE1 H 1 6.896 0.001 . 1 . . . . A 14 PHE HE1 . 30674 1 93 . 1 . 1 14 14 PHE HE2 H 1 6.896 0.001 . 1 . . . . A 14 PHE HE2 . 30674 1 94 . 1 . 1 14 14 PHE HZ H 1 6.222 0.000 . 1 . . . . A 14 PHE HZ . 30674 1 95 . 1 . 1 15 15 THR H H 1 9.156 0.000 . 1 . . . . A 15 THR H . 30674 1 96 . 1 . 1 15 15 THR HA H 1 4.502 0.001 . 1 . . . . A 15 THR HA . 30674 1 97 . 1 . 1 15 15 THR HB H 1 4.459 0.000 . 1 . . . . A 15 THR HB . 30674 1 98 . 1 . 1 15 15 THR HG21 H 1 1.347 0.000 . 1 . . . . A 15 THR HG21 . 30674 1 99 . 1 . 1 15 15 THR HG22 H 1 1.347 0.000 . 1 . . . . A 15 THR HG22 . 30674 1 100 . 1 . 1 15 15 THR HG23 H 1 1.347 0.000 . 1 . . . . A 15 THR HG23 . 30674 1 101 . 1 . 1 16 16 ARG H H 1 7.754 0.001 . 1 . . . . A 16 ARG H . 30674 1 102 . 1 . 1 16 16 ARG HA H 1 4.722 0.002 . 1 . . . . A 16 ARG HA . 30674 1 103 . 1 . 1 16 16 ARG HB2 H 1 2.141 0.002 . 1 . . . . A 16 ARG HB2 . 30674 1 104 . 1 . 1 16 16 ARG HB3 H 1 2.141 0.002 . 1 . . . . A 16 ARG HB3 . 30674 1 105 . 1 . 1 16 16 ARG HG2 H 1 1.662 0.002 . 1 . . . . A 16 ARG HG2 . 30674 1 106 . 1 . 1 16 16 ARG HG3 H 1 1.662 0.002 . 1 . . . . A 16 ARG HG3 . 30674 1 107 . 1 . 1 16 16 ARG HD2 H 1 3.305 0.002 . 2 . . . . A 16 ARG HD2 . 30674 1 108 . 1 . 1 16 16 ARG HD3 H 1 3.260 0.001 . 2 . . . . A 16 ARG HD3 . 30674 1 109 . 1 . 1 17 17 SER HA H 1 3.075 0.000 . 1 . . . . A 17 SER HA . 30674 1 110 . 1 . 1 17 17 SER HB2 H 1 3.494 0.003 . 2 . . . . A 17 SER HB2 . 30674 1 111 . 1 . 1 17 17 SER HB3 H 1 3.374 0.003 . 2 . . . . A 17 SER HB3 . 30674 1 112 . 1 . 1 18 18 ASP H H 1 8.705 0.000 . 1 . . . . A 18 ASP H . 30674 1 113 . 1 . 1 18 18 ASP HA H 1 4.204 0.002 . 1 . . . . A 18 ASP HA . 30674 1 114 . 1 . 1 18 18 ASP HB2 H 1 2.668 0.001 . 2 . . . . A 18 ASP HB2 . 30674 1 115 . 1 . 1 18 18 ASP HB3 H 1 2.589 0.004 . 2 . . . . A 18 ASP HB3 . 30674 1 116 . 1 . 1 19 19 GLU H H 1 7.023 0.002 . 1 . . . . A 19 GLU H . 30674 1 117 . 1 . 1 19 19 GLU HA H 1 3.842 0.001 . 1 . . . . A 19 GLU HA . 30674 1 118 . 1 . 1 19 19 GLU HB2 H 1 2.294 0.000 . 2 . . . . A 19 GLU HB2 . 30674 1 119 . 1 . 1 19 19 GLU HB3 H 1 2.253 0.000 . 2 . . . . A 19 GLU HB3 . 30674 1 120 . 1 . 1 19 19 GLU HG2 H 1 2.055 0.000 . 1 . . . . A 19 GLU HG2 . 30674 1 121 . 1 . 1 19 19 GLU HG3 H 1 2.055 0.000 . 1 . . . . A 19 GLU HG3 . 30674 1 122 . 1 . 1 20 20 LEU H H 1 6.974 0.001 . 1 . . . . A 20 LEU H . 30674 1 123 . 1 . 1 20 20 LEU HA H 1 3.279 0.002 . 1 . . . . A 20 LEU HA . 30674 1 124 . 1 . 1 20 20 LEU HB2 H 1 2.008 0.001 . 2 . . . . A 20 LEU HB2 . 30674 1 125 . 1 . 1 20 20 LEU HB3 H 1 1.306 0.004 . 2 . . . . A 20 LEU HB3 . 30674 1 126 . 1 . 1 20 20 LEU HG H 1 1.554 0.000 . 1 . . . . A 20 LEU HG . 30674 1 127 . 1 . 1 20 20 LEU HD11 H 1 1.079 0.002 . 2 . . . . A 20 LEU HD11 . 30674 1 128 . 1 . 1 20 20 LEU HD12 H 1 1.079 0.002 . 2 . . . . A 20 LEU HD12 . 30674 1 129 . 1 . 1 20 20 LEU HD13 H 1 1.079 0.002 . 2 . . . . A 20 LEU HD13 . 30674 1 130 . 1 . 1 20 20 LEU HD21 H 1 1.106 0.004 . 2 . . . . A 20 LEU HD21 . 30674 1 131 . 1 . 1 20 20 LEU HD22 H 1 1.106 0.004 . 2 . . . . A 20 LEU HD22 . 30674 1 132 . 1 . 1 20 20 LEU HD23 H 1 1.106 0.004 . 2 . . . . A 20 LEU HD23 . 30674 1 133 . 1 . 1 21 21 GLN H H 1 8.163 0.000 . 1 . . . . A 21 GLN H . 30674 1 134 . 1 . 1 21 21 GLN HA H 1 3.867 0.001 . 1 . . . . A 21 GLN HA . 30674 1 135 . 1 . 1 21 21 GLN HB2 H 1 2.075 0.002 . 1 . . . . A 21 GLN HB2 . 30674 1 136 . 1 . 1 21 21 GLN HB3 H 1 2.075 0.002 . 1 . . . . A 21 GLN HB3 . 30674 1 137 . 1 . 1 21 21 GLN HG2 H 1 2.409 0.001 . 1 . . . . A 21 GLN HG2 . 30674 1 138 . 1 . 1 21 21 GLN HG3 H 1 2.409 0.001 . 1 . . . . A 21 GLN HG3 . 30674 1 139 . 1 . 1 21 21 GLN HE21 H 1 7.210 0.000 . 2 . . . . A 21 GLN HE21 . 30674 1 140 . 1 . 1 21 21 GLN HE22 H 1 7.661 0.000 . 2 . . . . A 21 GLN HE22 . 30674 1 141 . 1 . 1 22 22 ARG H H 1 7.662 0.002 . 1 . . . . A 22 ARG H . 30674 1 142 . 1 . 1 22 22 ARG HA H 1 3.901 0.001 . 1 . . . . A 22 ARG HA . 30674 1 143 . 1 . 1 22 22 ARG HB2 H 1 1.772 0.007 . 1 . . . . A 22 ARG HB2 . 30674 1 144 . 1 . 1 22 22 ARG HB3 H 1 1.772 0.007 . 1 . . . . A 22 ARG HB3 . 30674 1 145 . 1 . 1 22 22 ARG HG2 H 1 1.507 0.003 . 1 . . . . A 22 ARG HG2 . 30674 1 146 . 1 . 1 22 22 ARG HG3 H 1 1.507 0.003 . 1 . . . . A 22 ARG HG3 . 30674 1 147 . 1 . 1 22 22 ARG HD2 H 1 3.226 0.001 . 2 . . . . A 22 ARG HD2 . 30674 1 148 . 1 . 1 22 22 ARG HD3 H 1 3.138 0.001 . 2 . . . . A 22 ARG HD3 . 30674 1 149 . 1 . 1 23 23 HIS H H 1 7.697 0.000 . 1 . . . . A 23 HIS H . 30674 1 150 . 1 . 1 23 23 HIS HA H 1 4.231 0.002 . 1 . . . . A 23 HIS HA . 30674 1 151 . 1 . 1 23 23 HIS HB2 H 1 3.030 0.000 . 2 . . . . A 23 HIS HB2 . 30674 1 152 . 1 . 1 23 23 HIS HB3 H 1 2.861 0.000 . 2 . . . . A 23 HIS HB3 . 30674 1 153 . 1 . 1 23 23 HIS HD2 H 1 7.064 0.000 . 1 . . . . A 23 HIS HD2 . 30674 1 154 . 1 . 1 23 23 HIS HE1 H 1 7.891 0.000 . 1 . . . . A 23 HIS HE1 . 30674 1 155 . 1 . 1 24 24 LYS H H 1 8.750 0.000 . 1 . . . . A 24 LYS H . 30674 1 156 . 1 . 1 24 24 LYS HA H 1 3.643 0.000 . 1 . . . . A 24 LYS HA . 30674 1 157 . 1 . 1 24 24 LYS HB2 H 1 1.979 0.003 . 2 . . . . A 24 LYS HB2 . 30674 1 158 . 1 . 1 24 24 LYS HB3 H 1 1.940 0.000 . 2 . . . . A 24 LYS HB3 . 30674 1 159 . 1 . 1 24 24 LYS HG2 H 1 1.865 0.000 . 1 . . . . A 24 LYS HG2 . 30674 1 160 . 1 . 1 24 24 LYS HG3 H 1 1.865 0.000 . 1 . . . . A 24 LYS HG3 . 30674 1 161 . 1 . 1 24 24 LYS HD2 H 1 1.817 0.000 . 1 . . . . A 24 LYS HD2 . 30674 1 162 . 1 . 1 24 24 LYS HD3 H 1 1.817 0.000 . 1 . . . . A 24 LYS HD3 . 30674 1 163 . 1 . 1 24 24 LYS HE2 H 1 3.181 0.003 . 2 . . . . A 24 LYS HE2 . 30674 1 164 . 1 . 1 24 24 LYS HE3 H 1 3.101 0.002 . 2 . . . . A 24 LYS HE3 . 30674 1 165 . 1 . 1 25 25 ARG H H 1 7.050 0.000 . 1 . . . . A 25 ARG H . 30674 1 166 . 1 . 1 25 25 ARG HA H 1 4.141 0.001 . 1 . . . . A 25 ARG HA . 30674 1 167 . 1 . 1 25 25 ARG HB2 H 1 1.806 0.001 . 1 . . . . A 25 ARG HB2 . 30674 1 168 . 1 . 1 25 25 ARG HB3 H 1 1.806 0.001 . 1 . . . . A 25 ARG HB3 . 30674 1 169 . 1 . 1 25 25 ARG HG2 H 1 1.904 0.001 . 2 . . . . A 25 ARG HG2 . 30674 1 170 . 1 . 1 25 25 ARG HG3 H 1 1.647 0.001 . 2 . . . . A 25 ARG HG3 . 30674 1 171 . 1 . 1 25 25 ARG HD2 H 1 3.173 0.000 . 1 . . . . A 25 ARG HD2 . 30674 1 172 . 1 . 1 25 25 ARG HD3 H 1 3.173 0.000 . 1 . . . . A 25 ARG HD3 . 30674 1 173 . 1 . 1 26 26 THR H H 1 7.670 0.002 . 1 . . . . A 26 THR H . 30674 1 174 . 1 . 1 26 26 THR HA H 1 4.029 0.000 . 1 . . . . A 26 THR HA . 30674 1 175 . 1 . 1 26 26 THR HB H 1 3.926 0.003 . 1 . . . . A 26 THR HB . 30674 1 176 . 1 . 1 26 26 THR HG21 H 1 1.111 0.000 . 1 . . . . A 26 THR HG21 . 30674 1 177 . 1 . 1 26 26 THR HG22 H 1 1.111 0.000 . 1 . . . . A 26 THR HG22 . 30674 1 178 . 1 . 1 26 26 THR HG23 H 1 1.111 0.000 . 1 . . . . A 26 THR HG23 . 30674 1 179 . 1 . 1 27 27 HIS H H 1 6.863 0.000 . 1 . . . . A 27 HIS H . 30674 1 180 . 1 . 1 27 27 HIS HA H 1 4.255 0.002 . 1 . . . . A 27 HIS HA . 30674 1 181 . 1 . 1 27 27 HIS HB2 H 1 2.131 0.000 . 2 . . . . A 27 HIS HB2 . 30674 1 182 . 1 . 1 27 27 HIS HB3 H 1 0.992 0.000 . 2 . . . . A 27 HIS HB3 . 30674 1 183 . 1 . 1 27 27 HIS HD2 H 1 6.174 0.000 . 1 . . . . A 27 HIS HD2 . 30674 1 184 . 1 . 1 27 27 HIS HE1 H 1 7.881 0.000 . 1 . . . . A 27 HIS HE1 . 30674 1 185 . 1 . 1 28 28 THR H H 1 7.493 0.001 . 1 . . . . A 28 THR H . 30674 1 186 . 1 . 1 28 28 THR HA H 1 4.285 0.000 . 1 . . . . A 28 THR HA . 30674 1 187 . 1 . 1 28 28 THR HB H 1 4.321 0.000 . 1 . . . . A 28 THR HB . 30674 1 188 . 1 . 1 28 28 THR HG21 H 1 1.218 0.000 . 1 . . . . A 28 THR HG21 . 30674 1 189 . 1 . 1 28 28 THR HG22 H 1 1.218 0.000 . 1 . . . . A 28 THR HG22 . 30674 1 190 . 1 . 1 28 28 THR HG23 H 1 1.218 0.000 . 1 . . . . A 28 THR HG23 . 30674 1 191 . 1 . 1 29 29 GLY H H 1 8.189 0.001 . 1 . . . . A 29 GLY H . 30674 1 192 . 1 . 1 29 29 GLY HA2 H 1 4.065 0.001 . 2 . . . . A 29 GLY HA2 . 30674 1 193 . 1 . 1 29 29 GLY HA3 H 1 3.974 0.002 . 2 . . . . A 29 GLY HA3 . 30674 1 194 . 1 . 1 30 30 GLU H H 1 8.197 0.001 . 1 . . . . A 30 GLU H . 30674 1 195 . 1 . 1 30 30 GLU HA H 1 4.261 0.000 . 1 . . . . A 30 GLU HA . 30674 1 196 . 1 . 1 30 30 GLU HB2 H 1 2.037 0.000 . 2 . . . . A 30 GLU HB2 . 30674 1 197 . 1 . 1 30 30 GLU HB3 H 1 1.951 0.000 . 2 . . . . A 30 GLU HB3 . 30674 1 198 . 1 . 1 30 30 GLU HG2 H 1 2.259 0.000 . 1 . . . . A 30 GLU HG2 . 30674 1 199 . 1 . 1 30 30 GLU HG3 H 1 2.259 0.000 . 1 . . . . A 30 GLU HG3 . 30674 1 200 . 1 . 1 31 31 LYS H H 1 8.436 0.001 . 1 . . . . A 31 LYS H . 30674 1 201 . 1 . 1 31 31 LYS HA H 1 4.253 0.001 . 1 . . . . A 31 LYS HA . 30674 1 202 . 1 . 1 31 31 LYS HB2 H 1 1.855 0.002 . 2 . . . . A 31 LYS HB2 . 30674 1 203 . 1 . 1 31 31 LYS HB3 H 1 1.771 0.000 . 2 . . . . A 31 LYS HB3 . 30674 1 204 . 1 . 1 31 31 LYS HG2 H 1 1.469 0.000 . 2 . . . . A 31 LYS HG2 . 30674 1 205 . 1 . 1 31 31 LYS HG3 H 1 1.427 0.000 . 2 . . . . A 31 LYS HG3 . 30674 1 206 . 1 . 1 31 31 LYS HD2 H 1 1.674 0.001 . 1 . . . . A 31 LYS HD2 . 30674 1 207 . 1 . 1 31 31 LYS HD3 H 1 1.674 0.001 . 1 . . . . A 31 LYS HD3 . 30674 1 208 . 1 . 1 31 31 LYS HE2 H 1 2.997 0.002 . 1 . . . . A 31 LYS HE2 . 30674 1 209 . 1 . 1 31 31 LYS HE3 H 1 2.997 0.002 . 1 . . . . A 31 LYS HE3 . 30674 1 210 . 1 . 1 32 32 NH2 HN1 H 1 7.084 0.000 . 2 . . . . A 32 NH2 HN1 . 30674 1 211 . 1 . 1 32 32 NH2 HN2 H 1 7.549 0.000 . 2 . . . . A 32 NH2 HN2 . 30674 1 stop_ save_