################################### # 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 30641 _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' . . . 30641 1 2 '2D 1H-1H NOESY' . . . 30641 1 3 '2D 1H-1H COSY' . . . 30641 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 4.173 0.001 . 1 . . . . A 1 ARG HA . 30641 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.754 0.000 . 1 . . . . A 1 ARG HB2 . 30641 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.754 0.000 . 1 . . . . A 1 ARG HB3 . 30641 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.585 0.000 . 1 . . . . A 1 ARG HG2 . 30641 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.585 0.000 . 1 . . . . A 1 ARG HG3 . 30641 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.122 0.000 . 1 . . . . A 1 ARG HD2 . 30641 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.122 0.000 . 1 . . . . A 1 ARG HD3 . 30641 1 8 . 1 . 1 2 2 PRO HA H 1 4.497 0.001 . 1 . . . . A 2 PRO HA . 30641 1 9 . 1 . 1 2 2 PRO HB2 H 1 2.193 0.002 . 2 . . . . A 2 PRO HB2 . 30641 1 10 . 1 . 1 2 2 PRO HB3 H 1 1.635 0.001 . 2 . . . . A 2 PRO HB3 . 30641 1 11 . 1 . 1 2 2 PRO HG2 H 1 1.955 0.004 . 2 . . . . A 2 PRO HG2 . 30641 1 12 . 1 . 1 2 2 PRO HG3 H 1 1.868 0.000 . 2 . . . . A 2 PRO HG3 . 30641 1 13 . 1 . 1 2 2 PRO HD2 H 1 3.694 0.003 . 2 . . . . A 2 PRO HD2 . 30641 1 14 . 1 . 1 2 2 PRO HD3 H 1 3.578 0.002 . 2 . . . . A 2 PRO HD3 . 30641 1 15 . 1 . 1 3 3 PHE H H 1 8.542 0.000 . 1 . . . . A 3 PHE H . 30641 1 16 . 1 . 1 3 3 PHE HA H 1 4.633 0.001 . 1 . . . . A 3 PHE HA . 30641 1 17 . 1 . 1 3 3 PHE HB2 H 1 3.065 0.002 . 2 . . . . A 3 PHE HB2 . 30641 1 18 . 1 . 1 3 3 PHE HB3 H 1 2.965 0.001 . 2 . . . . A 3 PHE HB3 . 30641 1 19 . 1 . 1 3 3 PHE HD1 H 1 7.179 0.001 . 1 . . . . A 3 PHE HD1 . 30641 1 20 . 1 . 1 3 3 PHE HD2 H 1 7.179 0.001 . 1 . . . . A 3 PHE HD2 . 30641 1 21 . 1 . 1 3 3 PHE HE1 H 1 7.428 0.000 . 1 . . . . A 3 PHE HE1 . 30641 1 22 . 1 . 1 3 3 PHE HE2 H 1 7.428 0.000 . 1 . . . . A 3 PHE HE2 . 30641 1 23 . 1 . 1 4 4 NLE H H 1 8.403 0.002 . 1 . . . . A 4 NLE H . 30641 1 24 . 1 . 1 4 4 NLE HA H 1 5.044 0.003 . 1 . . . . A 4 NLE HA . 30641 1 25 . 1 . 1 4 4 NLE HB2 H 1 1.520 0.001 . 2 . . . . A 4 NLE HB2 . 30641 1 26 . 1 . 1 4 4 NLE HB3 H 1 1.689 0.006 . 2 . . . . A 4 NLE HB3 . 30641 1 27 . 1 . 1 4 4 NLE HG2 H 1 1.063 0.000 . 2 . . . . A 4 NLE HG2 . 30641 1 28 . 1 . 1 4 4 NLE HG3 H 1 1.096 0.000 . 2 . . . . A 4 NLE HG3 . 30641 1 29 . 1 . 1 4 4 NLE QD H 1 1.195 0.003 . 1 . . . . A 4 NLE QD . 30641 1 30 . 1 . 1 4 4 NLE QE H 1 0.796 0.003 . 1 . . . . A 4 NLE QE . 30641 1 31 . 1 . 1 5 5 CYS H H 1 9.226 0.000 . 1 . . . . A 5 CYS H . 30641 1 32 . 1 . 1 5 5 CYS HA H 1 4.550 0.000 . 1 . . . . A 5 CYS HA . 30641 1 33 . 1 . 1 5 5 CYS HB2 H 1 3.431 0.000 . 2 . . . . A 5 CYS HB2 . 30641 1 34 . 1 . 1 5 5 CYS HB3 H 1 2.916 0.002 . 2 . . . . A 5 CYS HB3 . 30641 1 35 . 1 . 1 6 6 THR HA H 1 4.643 0.001 . 1 . . . . A 6 THR HA . 30641 1 36 . 1 . 1 6 6 THR HB H 1 4.696 0.000 . 1 . . . . A 6 THR HB . 30641 1 37 . 1 . 1 6 6 THR HG21 H 1 1.223 0.000 . 1 . . . . A 6 THR HG21 . 30641 1 38 . 1 . 1 6 6 THR HG22 H 1 1.223 0.000 . 1 . . . . A 6 THR HG22 . 30641 1 39 . 1 . 1 6 6 THR HG23 H 1 1.223 0.000 . 1 . . . . A 6 THR HG23 . 30641 1 40 . 1 . 1 7 7 TRP H H 1 8.855 0.001 . 1 . . . . A 7 TRP H . 30641 1 41 . 1 . 1 7 7 TRP HA H 1 4.559 0.001 . 1 . . . . A 7 TRP HA . 30641 1 42 . 1 . 1 7 7 TRP HB2 H 1 2.948 0.001 . 2 . . . . A 7 TRP HB2 . 30641 1 43 . 1 . 1 7 7 TRP HB3 H 1 2.641 0.002 . 2 . . . . A 7 TRP HB3 . 30641 1 44 . 1 . 1 7 7 TRP HD1 H 1 6.952 0.001 . 1 . . . . A 7 TRP HD1 . 30641 1 45 . 1 . 1 7 7 TRP HE1 H 1 10.079 0.001 . 1 . . . . A 7 TRP HE1 . 30641 1 46 . 1 . 1 7 7 TRP HE3 H 1 7.018 0.001 . 1 . . . . A 7 TRP HE3 . 30641 1 47 . 1 . 1 7 7 TRP HZ2 H 1 7.438 0.000 . 1 . . . . A 7 TRP HZ2 . 30641 1 48 . 1 . 1 7 7 TRP HZ3 H 1 7.075 0.002 . 1 . . . . A 7 TRP HZ3 . 30641 1 49 . 1 . 1 7 7 TRP HH2 H 1 7.192 0.000 . 1 . . . . A 7 TRP HH2 . 30641 1 50 . 1 . 1 8 8 DPR HA H 1 3.659 0.004 . 1 . . . . A 8 DPR HA . 30641 1 51 . 1 . 1 8 8 DPR HB2 H 1 1.879 0.004 . 2 . . . . A 8 DPR HB2 . 30641 1 52 . 1 . 1 8 8 DPR HB3 H 1 1.609 0.001 . 2 . . . . A 8 DPR HB3 . 30641 1 53 . 1 . 1 8 8 DPR HD2 H 1 3.503 0.002 . 2 . . . . A 8 DPR HD2 . 30641 1 54 . 1 . 1 8 8 DPR HD3 H 1 2.470 0.001 . 2 . . . . A 8 DPR HD3 . 30641 1 55 . 1 . 1 8 8 DPR HG2 H 1 1.636 0.005 . 2 . . . . A 8 DPR HG2 . 30641 1 56 . 1 . 1 8 8 DPR HG3 H 1 0.903 0.001 . 2 . . . . A 8 DPR HG3 . 30641 1 57 . 1 . 1 9 9 GLY H H 1 8.107 0.002 . 1 . . . . A 9 GLY H . 30641 1 58 . 1 . 1 9 9 GLY HA2 H 1 4.076 0.005 . 2 . . . . A 9 GLY HA2 . 30641 1 59 . 1 . 1 9 9 GLY HA3 H 1 3.686 0.000 . 2 . . . . A 9 GLY HA3 . 30641 1 60 . 1 . 1 10 10 CYS H H 1 8.201 0.000 . 1 . . . . A 10 CYS H . 30641 1 61 . 1 . 1 10 10 CYS HA H 1 4.058 0.000 . 1 . . . . A 10 CYS HA . 30641 1 62 . 1 . 1 10 10 CYS HB2 H 1 3.486 0.000 . 2 . . . . A 10 CYS HB2 . 30641 1 63 . 1 . 1 10 10 CYS HB3 H 1 3.261 0.001 . 2 . . . . A 10 CYS HB3 . 30641 1 64 . 1 . 1 11 11 GLY H H 1 8.427 0.000 . 1 . . . . A 11 GLY H . 30641 1 65 . 1 . 1 11 11 GLY HA2 H 1 3.928 0.000 . 1 . . . . A 11 GLY HA2 . 30641 1 66 . 1 . 1 11 11 GLY HA3 H 1 3.928 0.000 . 1 . . . . A 11 GLY HA3 . 30641 1 67 . 1 . 1 12 12 LYS H H 1 8.143 0.000 . 1 . . . . A 12 LYS H . 30641 1 68 . 1 . 1 12 12 LYS HA H 1 3.990 0.002 . 1 . . . . A 12 LYS HA . 30641 1 69 . 1 . 1 12 12 LYS HB2 H 1 1.482 0.002 . 1 . . . . A 12 LYS HB2 . 30641 1 70 . 1 . 1 12 12 LYS HB3 H 1 1.482 0.002 . 1 . . . . A 12 LYS HB3 . 30641 1 71 . 1 . 1 12 12 LYS HG2 H 1 1.324 0.000 . 2 . . . . A 12 LYS HG2 . 30641 1 72 . 1 . 1 12 12 LYS HG3 H 1 1.276 0.002 . 2 . . . . A 12 LYS HG3 . 30641 1 73 . 1 . 1 12 12 LYS HD2 H 1 1.437 0.000 . 1 . . . . A 12 LYS HD2 . 30641 1 74 . 1 . 1 12 12 LYS HD3 H 1 1.437 0.000 . 1 . . . . A 12 LYS HD3 . 30641 1 75 . 1 . 1 12 12 LYS HE2 H 1 2.996 0.001 . 1 . . . . A 12 LYS HE2 . 30641 1 76 . 1 . 1 12 12 LYS HE3 H 1 2.996 0.001 . 1 . . . . A 12 LYS HE3 . 30641 1 77 . 1 . 1 13 13 ARG H H 1 7.808 0.001 . 1 . . . . A 13 ARG H . 30641 1 78 . 1 . 1 13 13 ARG HA H 1 5.078 0.001 . 1 . . . . A 13 ARG HA . 30641 1 79 . 1 . 1 13 13 ARG HB2 H 1 1.506 0.002 . 1 . . . . A 13 ARG HB2 . 30641 1 80 . 1 . 1 13 13 ARG HB3 H 1 1.506 0.002 . 1 . . . . A 13 ARG HB3 . 30641 1 81 . 1 . 1 13 13 ARG HG2 H 1 1.663 0.000 . 2 . . . . A 13 ARG HG2 . 30641 1 82 . 1 . 1 13 13 ARG HG3 H 1 1.442 0.002 . 2 . . . . A 13 ARG HG3 . 30641 1 83 . 1 . 1 13 13 ARG HD2 H 1 3.106 0.002 . 1 . . . . A 13 ARG HD2 . 30641 1 84 . 1 . 1 13 13 ARG HD3 H 1 3.106 0.002 . 1 . . . . A 13 ARG HD3 . 30641 1 85 . 1 . 1 14 14 PHE H H 1 8.774 0.000 . 1 . . . . A 14 PHE H . 30641 1 86 . 1 . 1 14 14 PHE HA H 1 4.871 0.002 . 1 . . . . A 14 PHE HA . 30641 1 87 . 1 . 1 14 14 PHE HB2 H 1 3.585 0.006 . 2 . . . . A 14 PHE HB2 . 30641 1 88 . 1 . 1 14 14 PHE HB3 H 1 2.641 0.000 . 2 . . . . A 14 PHE HB3 . 30641 1 89 . 1 . 1 14 14 PHE HD1 H 1 7.195 0.001 . 1 . . . . A 14 PHE HD1 . 30641 1 90 . 1 . 1 14 14 PHE HD2 H 1 7.195 0.001 . 1 . . . . A 14 PHE HD2 . 30641 1 91 . 1 . 1 14 14 PHE HE1 H 1 6.909 0.001 . 1 . . . . A 14 PHE HE1 . 30641 1 92 . 1 . 1 14 14 PHE HE2 H 1 6.909 0.001 . 1 . . . . A 14 PHE HE2 . 30641 1 93 . 1 . 1 14 14 PHE HZ H 1 6.223 0.002 . 1 . . . . A 14 PHE HZ . 30641 1 94 . 1 . 1 15 15 THR H H 1 9.170 0.002 . 1 . . . . A 15 THR H . 30641 1 95 . 1 . 1 15 15 THR HA H 1 4.563 0.002 . 1 . . . . A 15 THR HA . 30641 1 96 . 1 . 1 15 15 THR HB H 1 4.463 0.003 . 1 . . . . A 15 THR HB . 30641 1 97 . 1 . 1 15 15 THR HG21 H 1 1.334 0.000 . 1 . . . . A 15 THR HG21 . 30641 1 98 . 1 . 1 15 15 THR HG22 H 1 1.334 0.000 . 1 . . . . A 15 THR HG22 . 30641 1 99 . 1 . 1 15 15 THR HG23 H 1 1.334 0.000 . 1 . . . . A 15 THR HG23 . 30641 1 100 . 1 . 1 16 16 ARG H H 1 7.740 0.001 . 1 . . . . A 16 ARG H . 30641 1 101 . 1 . 1 16 16 ARG HA H 1 4.716 0.001 . 1 . . . . A 16 ARG HA . 30641 1 102 . 1 . 1 16 16 ARG HB2 H 1 2.149 0.002 . 1 . . . . A 16 ARG HB2 . 30641 1 103 . 1 . 1 16 16 ARG HB3 H 1 2.149 0.002 . 1 . . . . A 16 ARG HB3 . 30641 1 104 . 1 . 1 16 16 ARG HG2 H 1 1.671 0.001 . 2 . . . . A 16 ARG HG2 . 30641 1 105 . 1 . 1 16 16 ARG HG3 H 1 1.645 0.001 . 2 . . . . A 16 ARG HG3 . 30641 1 106 . 1 . 1 16 16 ARG HD2 H 1 3.312 0.002 . 2 . . . . A 16 ARG HD2 . 30641 1 107 . 1 . 1 16 16 ARG HD3 H 1 3.261 0.001 . 2 . . . . A 16 ARG HD3 . 30641 1 108 . 1 . 1 17 17 SER H H 1 8.525 0.000 . 1 . . . . A 17 SER H . 30641 1 109 . 1 . 1 17 17 SER HA H 1 3.095 0.001 . 1 . . . . A 17 SER HA . 30641 1 110 . 1 . 1 17 17 SER HB2 H 1 3.517 0.000 . 2 . . . . A 17 SER HB2 . 30641 1 111 . 1 . 1 17 17 SER HB3 H 1 3.396 0.001 . 2 . . . . A 17 SER HB3 . 30641 1 112 . 1 . 1 18 18 ASP H H 1 8.717 0.000 . 1 . . . . A 18 ASP H . 30641 1 113 . 1 . 1 18 18 ASP HA H 1 4.207 0.001 . 1 . . . . A 18 ASP HA . 30641 1 114 . 1 . 1 18 18 ASP HB2 H 1 2.675 0.000 . 2 . . . . A 18 ASP HB2 . 30641 1 115 . 1 . 1 18 18 ASP HB3 H 1 2.592 0.000 . 2 . . . . A 18 ASP HB3 . 30641 1 116 . 1 . 1 19 19 GLU H H 1 7.047 0.000 . 1 . . . . A 19 GLU H . 30641 1 117 . 1 . 1 19 19 GLU HA H 1 3.853 0.001 . 1 . . . . A 19 GLU HA . 30641 1 118 . 1 . 1 19 19 GLU HB2 H 1 2.258 0.000 . 2 . . . . A 19 GLU HB2 . 30641 1 119 . 1 . 1 19 19 GLU HB3 H 1 2.083 0.000 . 2 . . . . A 19 GLU HB3 . 30641 1 120 . 1 . 1 19 19 GLU HG2 H 1 2.308 0.000 . 1 . . . . A 19 GLU HG2 . 30641 1 121 . 1 . 1 19 19 GLU HG3 H 1 2.308 0.000 . 1 . . . . A 19 GLU HG3 . 30641 1 122 . 1 . 1 20 20 LEU H H 1 6.978 0.000 . 1 . . . . A 20 LEU H . 30641 1 123 . 1 . 1 20 20 LEU HA H 1 3.234 0.003 . 1 . . . . A 20 LEU HA . 30641 1 124 . 1 . 1 20 20 LEU HB2 H 1 1.992 0.004 . 2 . . . . A 20 LEU HB2 . 30641 1 125 . 1 . 1 20 20 LEU HB3 H 1 1.282 0.000 . 2 . . . . A 20 LEU HB3 . 30641 1 126 . 1 . 1 20 20 LEU HG H 1 1.532 0.007 . 1 . . . . A 20 LEU HG . 30641 1 127 . 1 . 1 20 20 LEU HD11 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD11 . 30641 1 128 . 1 . 1 20 20 LEU HD12 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD12 . 30641 1 129 . 1 . 1 20 20 LEU HD13 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD13 . 30641 1 130 . 1 . 1 20 20 LEU HD21 H 1 1.100 0.002 . 2 . . . . A 20 LEU HD21 . 30641 1 131 . 1 . 1 20 20 LEU HD22 H 1 1.100 0.002 . 2 . . . . A 20 LEU HD22 . 30641 1 132 . 1 . 1 20 20 LEU HD23 H 1 1.100 0.002 . 2 . . . . A 20 LEU HD23 . 30641 1 133 . 1 . 1 21 21 GLN H H 1 8.143 0.001 . 1 . . . . A 21 GLN H . 30641 1 134 . 1 . 1 21 21 GLN HA H 1 3.859 0.000 . 1 . . . . A 21 GLN HA . 30641 1 135 . 1 . 1 21 21 GLN HB2 H 1 2.071 0.003 . 1 . . . . A 21 GLN HB2 . 30641 1 136 . 1 . 1 21 21 GLN HB3 H 1 2.071 0.003 . 1 . . . . A 21 GLN HB3 . 30641 1 137 . 1 . 1 21 21 GLN HG2 H 1 2.416 0.000 . 2 . . . . A 21 GLN HG2 . 30641 1 138 . 1 . 1 21 21 GLN HG3 H 1 2.389 0.000 . 2 . . . . A 21 GLN HG3 . 30641 1 139 . 1 . 1 21 21 GLN HE21 H 1 6.919 0.000 . 2 . . . . A 21 GLN HE21 . 30641 1 140 . 1 . 1 21 21 GLN HE22 H 1 7.334 0.000 . 2 . . . . A 21 GLN HE22 . 30641 1 141 . 1 . 1 22 22 ARG H H 1 7.676 0.000 . 1 . . . . A 22 ARG H . 30641 1 142 . 1 . 1 22 22 ARG HA H 1 3.892 0.001 . 1 . . . . A 22 ARG HA . 30641 1 143 . 1 . 1 22 22 ARG HB2 H 1 1.795 0.000 . 2 . . . . A 22 ARG HB2 . 30641 1 144 . 1 . 1 22 22 ARG HB3 H 1 1.755 0.000 . 2 . . . . A 22 ARG HB3 . 30641 1 145 . 1 . 1 22 22 ARG HG2 H 1 1.510 0.000 . 1 . . . . A 22 ARG HG2 . 30641 1 146 . 1 . 1 22 22 ARG HG3 H 1 1.510 0.000 . 1 . . . . A 22 ARG HG3 . 30641 1 147 . 1 . 1 22 22 ARG HD2 H 1 3.228 0.000 . 2 . . . . A 22 ARG HD2 . 30641 1 148 . 1 . 1 22 22 ARG HD3 H 1 3.141 0.000 . 2 . . . . A 22 ARG HD3 . 30641 1 149 . 1 . 1 23 23 HIS H H 1 7.678 0.000 . 1 . . . . A 23 HIS H . 30641 1 150 . 1 . 1 23 23 HIS HA H 1 4.240 0.002 . 1 . . . . A 23 HIS HA . 30641 1 151 . 1 . 1 23 23 HIS HB2 H 1 3.001 0.001 . 2 . . . . A 23 HIS HB2 . 30641 1 152 . 1 . 1 23 23 HIS HB3 H 1 2.892 0.004 . 2 . . . . A 23 HIS HB3 . 30641 1 153 . 1 . 1 23 23 HIS HD2 H 1 7.102 0.000 . 1 . . . . A 23 HIS HD2 . 30641 1 154 . 1 . 1 23 23 HIS HE1 H 1 7.938 0.000 . 1 . . . . A 23 HIS HE1 . 30641 1 155 . 1 . 1 24 24 LYS H H 1 8.795 0.000 . 1 . . . . A 24 LYS H . 30641 1 156 . 1 . 1 24 24 LYS HA H 1 3.637 0.001 . 1 . . . . A 24 LYS HA . 30641 1 157 . 1 . 1 24 24 LYS HB2 H 1 1.947 0.001 . 1 . . . . A 24 LYS HB2 . 30641 1 158 . 1 . 1 24 24 LYS HB3 H 1 1.947 0.001 . 1 . . . . A 24 LYS HB3 . 30641 1 159 . 1 . 1 24 24 LYS HG2 H 1 1.845 0.000 . 1 . . . . A 24 LYS HG2 . 30641 1 160 . 1 . 1 24 24 LYS HG3 H 1 1.845 0.000 . 1 . . . . A 24 LYS HG3 . 30641 1 161 . 1 . 1 24 24 LYS HD2 H 1 1.795 0.000 . 1 . . . . A 24 LYS HD2 . 30641 1 162 . 1 . 1 24 24 LYS HD3 H 1 1.795 0.000 . 1 . . . . A 24 LYS HD3 . 30641 1 163 . 1 . 1 24 24 LYS HE2 H 1 3.177 0.000 . 1 . . . . A 24 LYS HE2 . 30641 1 164 . 1 . 1 24 24 LYS HE3 H 1 3.177 0.000 . 1 . . . . A 24 LYS HE3 . 30641 1 165 . 1 . 1 25 25 ARG H H 1 7.043 0.002 . 1 . . . . A 25 ARG H . 30641 1 166 . 1 . 1 25 25 ARG HA H 1 4.101 0.001 . 1 . . . . A 25 ARG HA . 30641 1 167 . 1 . 1 25 25 ARG HB2 H 1 1.789 0.003 . 1 . . . . A 25 ARG HB2 . 30641 1 168 . 1 . 1 25 25 ARG HB3 H 1 1.789 0.003 . 1 . . . . A 25 ARG HB3 . 30641 1 169 . 1 . 1 25 25 ARG HG2 H 1 1.886 0.000 . 2 . . . . A 25 ARG HG2 . 30641 1 170 . 1 . 1 25 25 ARG HG3 H 1 1.634 0.000 . 2 . . . . A 25 ARG HG3 . 30641 1 171 . 1 . 1 25 25 ARG HD2 H 1 3.166 0.000 . 1 . . . . A 25 ARG HD2 . 30641 1 172 . 1 . 1 25 25 ARG HD3 H 1 3.166 0.000 . 1 . . . . A 25 ARG HD3 . 30641 1 173 . 1 . 1 26 26 THR H H 1 7.660 0.000 . 1 . . . . A 26 THR H . 30641 1 174 . 1 . 1 26 26 THR HA H 1 4.027 0.001 . 1 . . . . A 26 THR HA . 30641 1 175 . 1 . 1 26 26 THR HB H 1 3.948 0.000 . 1 . . . . A 26 THR HB . 30641 1 176 . 1 . 1 26 26 THR HG21 H 1 1.122 0.001 . 1 . . . . A 26 THR HG21 . 30641 1 177 . 1 . 1 26 26 THR HG22 H 1 1.122 0.001 . 1 . . . . A 26 THR HG22 . 30641 1 178 . 1 . 1 26 26 THR HG23 H 1 1.122 0.001 . 1 . . . . A 26 THR HG23 . 30641 1 179 . 1 . 1 27 27 HIS H H 1 6.893 0.000 . 1 . . . . A 27 HIS H . 30641 1 180 . 1 . 1 27 27 HIS HA H 1 4.279 0.002 . 1 . . . . A 27 HIS HA . 30641 1 181 . 1 . 1 27 27 HIS HB2 H 1 2.154 0.001 . 2 . . . . A 27 HIS HB2 . 30641 1 182 . 1 . 1 27 27 HIS HB3 H 1 1.022 0.004 . 2 . . . . A 27 HIS HB3 . 30641 1 183 . 1 . 1 27 27 HIS HD2 H 1 6.321 0.000 . 1 . . . . A 27 HIS HD2 . 30641 1 184 . 1 . 1 27 27 HIS HE1 H 1 8.061 0.000 . 1 . . . . A 27 HIS HE1 . 30641 1 185 . 1 . 1 28 28 THR H H 1 7.419 0.000 . 1 . . . . A 28 THR H . 30641 1 186 . 1 . 1 28 28 THR HA H 1 4.203 0.000 . 1 . . . . A 28 THR HA . 30641 1 187 . 1 . 1 28 28 THR HB H 1 4.274 0.000 . 1 . . . . A 28 THR HB . 30641 1 188 . 1 . 1 28 28 THR HG21 H 1 1.119 0.001 . 1 . . . . A 28 THR HG21 . 30641 1 189 . 1 . 1 28 28 THR HG22 H 1 1.119 0.001 . 1 . . . . A 28 THR HG22 . 30641 1 190 . 1 . 1 28 28 THR HG23 H 1 1.119 0.001 . 1 . . . . A 28 THR HG23 . 30641 1 191 . 1 . 1 29 29 GLY H H 1 8.197 0.000 . 1 . . . . A 29 GLY H . 30641 1 192 . 1 . 1 29 29 GLY HA2 H 1 4.048 0.000 . 2 . . . . A 29 GLY HA2 . 30641 1 193 . 1 . 1 29 29 GLY HA3 H 1 3.952 0.000 . 2 . . . . A 29 GLY HA3 . 30641 1 194 . 1 . 1 30 30 GLU H H 1 8.168 0.001 . 1 . . . . A 30 GLU H . 30641 1 195 . 1 . 1 30 30 GLU HA H 1 4.256 0.001 . 1 . . . . A 30 GLU HA . 30641 1 196 . 1 . 1 30 30 GLU HB2 H 1 2.050 0.003 . 2 . . . . A 30 GLU HB2 . 30641 1 197 . 1 . 1 30 30 GLU HB3 H 1 1.936 0.002 . 2 . . . . A 30 GLU HB3 . 30641 1 198 . 1 . 1 30 30 GLU HG2 H 1 2.251 0.002 . 1 . . . . A 30 GLU HG2 . 30641 1 199 . 1 . 1 30 30 GLU HG3 H 1 2.251 0.002 . 1 . . . . A 30 GLU HG3 . 30641 1 200 . 1 . 1 31 31 LYS H H 1 8.441 0.001 . 1 . . . . A 31 LYS H . 30641 1 201 . 1 . 1 31 31 LYS HA H 1 4.263 0.001 . 1 . . . . A 31 LYS HA . 30641 1 202 . 1 . 1 31 31 LYS HB2 H 1 1.856 0.002 . 2 . . . . A 31 LYS HB2 . 30641 1 203 . 1 . 1 31 31 LYS HB3 H 1 1.771 0.001 . 2 . . . . A 31 LYS HB3 . 30641 1 204 . 1 . 1 31 31 LYS HG2 H 1 1.470 0.000 . 2 . . . . A 31 LYS HG2 . 30641 1 205 . 1 . 1 31 31 LYS HG3 H 1 1.418 0.000 . 2 . . . . A 31 LYS HG3 . 30641 1 206 . 1 . 1 31 31 LYS HD2 H 1 1.676 0.001 . 1 . . . . A 31 LYS HD2 . 30641 1 207 . 1 . 1 31 31 LYS HD3 H 1 1.676 0.001 . 1 . . . . A 31 LYS HD3 . 30641 1 208 . 1 . 1 31 31 LYS HE2 H 1 2.998 0.001 . 1 . . . . A 31 LYS HE2 . 30641 1 209 . 1 . 1 31 31 LYS HE3 H 1 2.998 0.001 . 1 . . . . A 31 LYS HE3 . 30641 1 210 . 1 . 1 32 32 NH2 HN1 H 1 7.080 0.000 . 2 . . . . A 32 NH2 HN1 . 30641 1 211 . 1 . 1 32 32 NH2 HN2 H 1 7.551 0.000 . 2 . . . . A 32 NH2 HN2 . 30641 1 stop_ save_