################################### # 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 30643 _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' . . . 30643 1 2 '2D 1H-1H COSY' . . . 30643 1 3 '2D 1H-1H NOESY' . . . 30643 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 4.243 0.000 . 1 . . . . A 1 ARG HA . 30643 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.802 0.000 . 1 . . . . A 1 ARG HB2 . 30643 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.802 0.000 . 1 . . . . A 1 ARG HB3 . 30643 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.603 0.000 . 2 . . . . A 1 ARG HG2 . 30643 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.541 0.000 . 2 . . . . A 1 ARG HG3 . 30643 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.132 0.001 . 1 . . . . A 1 ARG HD2 . 30643 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.132 0.001 . 1 . . . . A 1 ARG HD3 . 30643 1 8 . 1 . 1 2 2 PRO HA H 1 4.511 0.002 . 1 . . . . A 2 PRO HA . 30643 1 9 . 1 . 1 2 2 PRO HB2 H 1 2.203 0.001 . 2 . . . . A 2 PRO HB2 . 30643 1 10 . 1 . 1 2 2 PRO HB3 H 1 1.674 0.001 . 2 . . . . A 2 PRO HB3 . 30643 1 11 . 1 . 1 2 2 PRO HG2 H 1 1.958 0.001 . 2 . . . . A 2 PRO HG2 . 30643 1 12 . 1 . 1 2 2 PRO HG3 H 1 1.900 0.000 . 2 . . . . A 2 PRO HG3 . 30643 1 13 . 1 . 1 2 2 PRO HD2 H 1 3.684 0.001 . 2 . . . . A 2 PRO HD2 . 30643 1 14 . 1 . 1 2 2 PRO HD3 H 1 3.563 0.004 . 2 . . . . A 2 PRO HD3 . 30643 1 15 . 1 . 1 3 3 PHE H H 1 8.574 0.000 . 1 . . . . A 3 PHE H . 30643 1 16 . 1 . 1 3 3 PHE HA H 1 4.649 0.001 . 1 . . . . A 3 PHE HA . 30643 1 17 . 1 . 1 3 3 PHE HB2 H 1 3.065 0.000 . 2 . . . . A 3 PHE HB2 . 30643 1 18 . 1 . 1 3 3 PHE HB3 H 1 2.988 0.003 . 2 . . . . A 3 PHE HB3 . 30643 1 19 . 1 . 1 3 3 PHE HD1 H 1 7.178 0.000 . 1 . . . . A 3 PHE HD1 . 30643 1 20 . 1 . 1 3 3 PHE HD2 H 1 7.178 0.000 . 1 . . . . A 3 PHE HD2 . 30643 1 21 . 1 . 1 3 3 PHE HE1 H 1 7.419 0.000 . 1 . . . . A 3 PHE HE1 . 30643 1 22 . 1 . 1 3 3 PHE HE2 H 1 7.419 0.000 . 1 . . . . A 3 PHE HE2 . 30643 1 23 . 1 . 1 4 4 NLE H H 1 8.406 0.001 . 1 . . . . A 4 NLE H . 30643 1 24 . 1 . 1 4 4 NLE HA H 1 5.124 0.001 . 1 . . . . A 4 NLE HA . 30643 1 25 . 1 . 1 4 4 NLE HB2 H 1 1.509 0.004 . 2 . . . . A 4 NLE HB2 . 30643 1 26 . 1 . 1 4 4 NLE HB3 H 1 1.677 0.002 . 2 . . . . A 4 NLE HB3 . 30643 1 27 . 1 . 1 4 4 NLE QD H 1 1.201 0.004 . 1 . . . . A 4 NLE QD . 30643 1 28 . 1 . 1 4 4 NLE QE H 1 0.796 0.002 . 1 . . . . A 4 NLE QE . 30643 1 29 . 1 . 1 4 4 NLE QG H 1 1.099 0.006 . 1 . . . . A 4 NLE QG . 30643 1 30 . 1 . 1 5 5 CYS H H 1 9.197 0.000 . 1 . . . . A 5 CYS H . 30643 1 31 . 1 . 1 5 5 CYS HA H 1 4.551 0.001 . 1 . . . . A 5 CYS HA . 30643 1 32 . 1 . 1 5 5 CYS HB2 H 1 3.412 0.002 . 2 . . . . A 5 CYS HB2 . 30643 1 33 . 1 . 1 5 5 CYS HB3 H 1 2.927 0.000 . 2 . . . . A 5 CYS HB3 . 30643 1 34 . 1 . 1 6 6 THR H H 1 8.057 0.000 . 1 . . . . A 6 THR H . 30643 1 35 . 1 . 1 6 6 THR HA H 1 4.819 0.002 . 1 . . . . A 6 THR HA . 30643 1 36 . 1 . 1 6 6 THR HB H 1 4.686 0.000 . 1 . . . . A 6 THR HB . 30643 1 37 . 1 . 1 6 6 THR HG21 H 1 1.185 0.001 . 1 . . . . A 6 THR HG21 . 30643 1 38 . 1 . 1 6 6 THR HG22 H 1 1.185 0.001 . 1 . . . . A 6 THR HG22 . 30643 1 39 . 1 . 1 6 6 THR HG23 H 1 1.185 0.001 . 1 . . . . A 6 THR HG23 . 30643 1 40 . 1 . 1 7 7 TRP H H 1 8.735 0.001 . 1 . . . . A 7 TRP H . 30643 1 41 . 1 . 1 7 7 TRP HA H 1 4.231 0.001 . 1 . . . . A 7 TRP HA . 30643 1 42 . 1 . 1 7 7 TRP HB2 H 1 2.792 0.001 . 2 . . . . A 7 TRP HB2 . 30643 1 43 . 1 . 1 7 7 TRP HB3 H 1 2.757 0.000 . 2 . . . . A 7 TRP HB3 . 30643 1 44 . 1 . 1 7 7 TRP HD1 H 1 6.879 0.000 . 1 . . . . A 7 TRP HD1 . 30643 1 45 . 1 . 1 7 7 TRP HE1 H 1 10.049 0.000 . 1 . . . . A 7 TRP HE1 . 30643 1 46 . 1 . 1 7 7 TRP HE3 H 1 7.414 0.000 . 1 . . . . A 7 TRP HE3 . 30643 1 47 . 1 . 1 7 7 TRP HZ2 H 1 7.433 0.000 . 1 . . . . A 7 TRP HZ2 . 30643 1 48 . 1 . 1 7 7 TRP HZ3 H 1 7.110 0.000 . 1 . . . . A 7 TRP HZ3 . 30643 1 49 . 1 . 1 7 7 TRP HH2 H 1 7.192 0.000 . 1 . . . . A 7 TRP HH2 . 30643 1 50 . 1 . 1 8 8 ORN HA H 1 3.976 0.001 . 1 . . . . A 8 ORN HA . 30643 1 51 . 1 . 1 8 8 ORN HD2 H 1 2.842 0.001 . 2 . . . . A 8 ORN HD2 . 30643 1 52 . 1 . 1 8 8 ORN HD3 H 1 3.390 0.002 . 2 . . . . A 8 ORN HD3 . 30643 1 53 . 1 . 1 8 8 ORN HE1 H 1 7.778 0.001 . 1 . . . . A 8 ORN HE1 . 30643 1 54 . 1 . 1 8 8 ORN QB H 1 1.740 0.000 . 1 . . . . A 8 ORN QB . 30643 1 55 . 1 . 1 8 8 ORN QG H 1 1.612 0.001 . 1 . . . . A 8 ORN QG . 30643 1 56 . 1 . 1 9 9 CYS HA H 1 4.024 0.000 . 1 . . . . A 9 CYS HA . 30643 1 57 . 1 . 1 9 9 CYS HB2 H 1 3.346 0.000 . 2 . . . . A 9 CYS HB2 . 30643 1 58 . 1 . 1 9 9 CYS HB3 H 1 3.212 0.000 . 2 . . . . A 9 CYS HB3 . 30643 1 59 . 1 . 1 10 10 GLY H H 1 8.475 0.001 . 1 . . . . A 10 GLY H . 30643 1 60 . 1 . 1 10 10 GLY HA2 H 1 4.080 0.000 . 2 . . . . A 10 GLY HA2 . 30643 1 61 . 1 . 1 10 10 GLY HA3 H 1 3.959 0.000 . 2 . . . . A 10 GLY HA3 . 30643 1 62 . 1 . 1 11 11 LYS H H 1 8.084 0.001 . 1 . . . . A 11 LYS H . 30643 1 63 . 1 . 1 11 11 LYS HA H 1 3.975 0.001 . 1 . . . . A 11 LYS HA . 30643 1 64 . 1 . 1 11 11 LYS HB2 H 1 1.413 0.000 . 1 . . . . A 11 LYS HB2 . 30643 1 65 . 1 . 1 11 11 LYS HB3 H 1 1.413 0.000 . 1 . . . . A 11 LYS HB3 . 30643 1 66 . 1 . 1 11 11 LYS HG2 H 1 1.288 0.000 . 1 . . . . A 11 LYS HG2 . 30643 1 67 . 1 . 1 11 11 LYS HG3 H 1 1.288 0.000 . 1 . . . . A 11 LYS HG3 . 30643 1 68 . 1 . 1 11 11 LYS HD2 H 1 1.454 0.001 . 1 . . . . A 11 LYS HD2 . 30643 1 69 . 1 . 1 11 11 LYS HD3 H 1 1.454 0.001 . 1 . . . . A 11 LYS HD3 . 30643 1 70 . 1 . 1 11 11 LYS HE2 H 1 2.980 0.000 . 1 . . . . A 11 LYS HE2 . 30643 1 71 . 1 . 1 11 11 LYS HE3 H 1 2.980 0.000 . 1 . . . . A 11 LYS HE3 . 30643 1 72 . 1 . 1 12 12 ARG H H 1 7.814 0.001 . 1 . . . . A 12 ARG H . 30643 1 73 . 1 . 1 12 12 ARG HA H 1 5.050 0.002 . 1 . . . . A 12 ARG HA . 30643 1 74 . 1 . 1 12 12 ARG HB2 H 1 1.525 0.002 . 1 . . . . A 12 ARG HB2 . 30643 1 75 . 1 . 1 12 12 ARG HB3 H 1 1.525 0.002 . 1 . . . . A 12 ARG HB3 . 30643 1 76 . 1 . 1 12 12 ARG HG2 H 1 1.660 0.001 . 2 . . . . A 12 ARG HG2 . 30643 1 77 . 1 . 1 12 12 ARG HG3 H 1 1.444 0.002 . 2 . . . . A 12 ARG HG3 . 30643 1 78 . 1 . 1 12 12 ARG HD2 H 1 3.107 0.002 . 1 . . . . A 12 ARG HD2 . 30643 1 79 . 1 . 1 12 12 ARG HD3 H 1 3.107 0.002 . 1 . . . . A 12 ARG HD3 . 30643 1 80 . 1 . 1 12 12 ARG HE H 1 7.200 0.000 . 1 . . . . A 12 ARG HE . 30643 1 81 . 1 . 1 13 13 PHE H H 1 8.763 0.000 . 1 . . . . A 13 PHE H . 30643 1 82 . 1 . 1 13 13 PHE HA H 1 4.878 0.002 . 1 . . . . A 13 PHE HA . 30643 1 83 . 1 . 1 13 13 PHE HB2 H 1 3.580 0.002 . 2 . . . . A 13 PHE HB2 . 30643 1 84 . 1 . 1 13 13 PHE HB3 H 1 2.632 0.002 . 2 . . . . A 13 PHE HB3 . 30643 1 85 . 1 . 1 13 13 PHE HD1 H 1 7.191 0.001 . 1 . . . . A 13 PHE HD1 . 30643 1 86 . 1 . 1 13 13 PHE HD2 H 1 7.191 0.001 . 1 . . . . A 13 PHE HD2 . 30643 1 87 . 1 . 1 13 13 PHE HE1 H 1 6.913 0.000 . 1 . . . . A 13 PHE HE1 . 30643 1 88 . 1 . 1 13 13 PHE HE2 H 1 6.913 0.000 . 1 . . . . A 13 PHE HE2 . 30643 1 89 . 1 . 1 13 13 PHE HZ H 1 6.258 0.001 . 1 . . . . A 13 PHE HZ . 30643 1 90 . 1 . 1 14 14 THR H H 1 9.169 0.001 . 1 . . . . A 14 THR H . 30643 1 91 . 1 . 1 14 14 THR HA H 1 4.587 0.001 . 1 . . . . A 14 THR HA . 30643 1 92 . 1 . 1 14 14 THR HB H 1 4.466 0.001 . 1 . . . . A 14 THR HB . 30643 1 93 . 1 . 1 14 14 THR HG21 H 1 1.330 0.001 . 1 . . . . A 14 THR HG21 . 30643 1 94 . 1 . 1 14 14 THR HG22 H 1 1.330 0.001 . 1 . . . . A 14 THR HG22 . 30643 1 95 . 1 . 1 14 14 THR HG23 H 1 1.330 0.001 . 1 . . . . A 14 THR HG23 . 30643 1 96 . 1 . 1 15 15 ARG H H 1 7.744 0.001 . 1 . . . . A 15 ARG H . 30643 1 97 . 1 . 1 15 15 ARG HA H 1 4.714 0.001 . 1 . . . . A 15 ARG HA . 30643 1 98 . 1 . 1 15 15 ARG HB2 H 1 2.156 0.001 . 1 . . . . A 15 ARG HB2 . 30643 1 99 . 1 . 1 15 15 ARG HB3 H 1 2.156 0.001 . 1 . . . . A 15 ARG HB3 . 30643 1 100 . 1 . 1 15 15 ARG HG2 H 1 1.671 0.002 . 2 . . . . A 15 ARG HG2 . 30643 1 101 . 1 . 1 15 15 ARG HG3 H 1 1.645 0.001 . 2 . . . . A 15 ARG HG3 . 30643 1 102 . 1 . 1 15 15 ARG HD2 H 1 3.311 0.002 . 2 . . . . A 15 ARG HD2 . 30643 1 103 . 1 . 1 15 15 ARG HD3 H 1 3.263 0.003 . 2 . . . . A 15 ARG HD3 . 30643 1 104 . 1 . 1 15 15 ARG HE H 1 8.063 0.001 . 1 . . . . A 15 ARG HE . 30643 1 105 . 1 . 1 16 16 SER H H 1 8.557 0.000 . 1 . . . . A 16 SER H . 30643 1 106 . 1 . 1 16 16 SER HA H 1 3.105 0.000 . 1 . . . . A 16 SER HA . 30643 1 107 . 1 . 1 16 16 SER HB2 H 1 3.542 0.002 . 2 . . . . A 16 SER HB2 . 30643 1 108 . 1 . 1 16 16 SER HB3 H 1 3.433 0.002 . 2 . . . . A 16 SER HB3 . 30643 1 109 . 1 . 1 17 17 ASP H H 1 8.728 0.000 . 1 . . . . A 17 ASP H . 30643 1 110 . 1 . 1 17 17 ASP HA H 1 4.210 0.001 . 1 . . . . A 17 ASP HA . 30643 1 111 . 1 . 1 17 17 ASP HB2 H 1 2.675 0.001 . 2 . . . . A 17 ASP HB2 . 30643 1 112 . 1 . 1 17 17 ASP HB3 H 1 2.592 0.003 . 2 . . . . A 17 ASP HB3 . 30643 1 113 . 1 . 1 18 18 GLU H H 1 7.057 0.001 . 1 . . . . A 18 GLU H . 30643 1 114 . 1 . 1 18 18 GLU HA H 1 3.865 0.000 . 1 . . . . A 18 GLU HA . 30643 1 115 . 1 . 1 18 18 GLU HB2 H 1 2.273 0.001 . 1 . . . . A 18 GLU HB2 . 30643 1 116 . 1 . 1 18 18 GLU HB3 H 1 2.273 0.001 . 1 . . . . A 18 GLU HB3 . 30643 1 117 . 1 . 1 18 18 GLU HG2 H 1 2.320 0.001 . 2 . . . . A 18 GLU HG2 . 30643 1 118 . 1 . 1 18 18 GLU HG3 H 1 2.099 0.000 . 2 . . . . A 18 GLU HG3 . 30643 1 119 . 1 . 1 19 19 LEU H H 1 6.981 0.001 . 1 . . . . A 19 LEU H . 30643 1 120 . 1 . 1 19 19 LEU HA H 1 3.230 0.001 . 1 . . . . A 19 LEU HA . 30643 1 121 . 1 . 1 19 19 LEU HB2 H 1 1.991 0.000 . 2 . . . . A 19 LEU HB2 . 30643 1 122 . 1 . 1 19 19 LEU HB3 H 1 1.258 0.005 . 2 . . . . A 19 LEU HB3 . 30643 1 123 . 1 . 1 19 19 LEU HG H 1 1.532 0.001 . 1 . . . . A 19 LEU HG . 30643 1 124 . 1 . 1 19 19 LEU HD11 H 1 1.062 0.001 . 2 . . . . A 19 LEU HD11 . 30643 1 125 . 1 . 1 19 19 LEU HD12 H 1 1.062 0.001 . 2 . . . . A 19 LEU HD12 . 30643 1 126 . 1 . 1 19 19 LEU HD13 H 1 1.062 0.001 . 2 . . . . A 19 LEU HD13 . 30643 1 127 . 1 . 1 19 19 LEU HD21 H 1 1.095 0.002 . 2 . . . . A 19 LEU HD21 . 30643 1 128 . 1 . 1 19 19 LEU HD22 H 1 1.095 0.002 . 2 . . . . A 19 LEU HD22 . 30643 1 129 . 1 . 1 19 19 LEU HD23 H 1 1.095 0.002 . 2 . . . . A 19 LEU HD23 . 30643 1 130 . 1 . 1 20 20 GLN H H 1 8.138 0.000 . 1 . . . . A 20 GLN H . 30643 1 131 . 1 . 1 20 20 GLN HA H 1 3.856 0.001 . 1 . . . . A 20 GLN HA . 30643 1 132 . 1 . 1 20 20 GLN HB2 H 1 2.073 0.001 . 1 . . . . A 20 GLN HB2 . 30643 1 133 . 1 . 1 20 20 GLN HB3 H 1 2.073 0.001 . 1 . . . . A 20 GLN HB3 . 30643 1 134 . 1 . 1 20 20 GLN HG2 H 1 2.413 0.001 . 2 . . . . A 20 GLN HG2 . 30643 1 135 . 1 . 1 20 20 GLN HG3 H 1 2.388 0.000 . 2 . . . . A 20 GLN HG3 . 30643 1 136 . 1 . 1 21 21 ARG H H 1 7.699 0.000 . 1 . . . . A 21 ARG H . 30643 1 137 . 1 . 1 21 21 ARG HA H 1 3.896 0.001 . 1 . . . . A 21 ARG HA . 30643 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.821 0.000 . 2 . . . . A 21 ARG HB2 . 30643 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.768 0.000 . 2 . . . . A 21 ARG HB3 . 30643 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.517 0.000 . 1 . . . . A 21 ARG HG2 . 30643 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.517 0.000 . 1 . . . . A 21 ARG HG3 . 30643 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.232 0.000 . 2 . . . . A 21 ARG HD2 . 30643 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.148 0.002 . 2 . . . . A 21 ARG HD3 . 30643 1 144 . 1 . 1 21 21 ARG HE H 1 7.316 0.001 . 1 . . . . A 21 ARG HE . 30643 1 145 . 1 . 1 22 22 HIS H H 1 7.695 0.000 . 1 . . . . A 22 HIS H . 30643 1 146 . 1 . 1 22 22 HIS HA H 1 4.265 0.001 . 1 . . . . A 22 HIS HA . 30643 1 147 . 1 . 1 22 22 HIS HB2 H 1 3.030 0.002 . 2 . . . . A 22 HIS HB2 . 30643 1 148 . 1 . 1 22 22 HIS HB3 H 1 2.912 0.000 . 2 . . . . A 22 HIS HB3 . 30643 1 149 . 1 . 1 22 22 HIS HD2 H 1 7.138 0.000 . 1 . . . . A 22 HIS HD2 . 30643 1 150 . 1 . 1 22 22 HIS HE1 H 1 7.944 0.000 . 1 . . . . A 22 HIS HE1 . 30643 1 151 . 1 . 1 23 23 LYS H H 1 8.752 0.000 . 1 . . . . A 23 LYS H . 30643 1 152 . 1 . 1 23 23 LYS HA H 1 3.632 0.001 . 1 . . . . A 23 LYS HA . 30643 1 153 . 1 . 1 23 23 LYS HB2 H 1 1.912 0.000 . 1 . . . . A 23 LYS HB2 . 30643 1 154 . 1 . 1 23 23 LYS HB3 H 1 1.912 0.000 . 1 . . . . A 23 LYS HB3 . 30643 1 155 . 1 . 1 23 23 LYS HG2 H 1 1.705 0.000 . 1 . . . . A 23 LYS HG2 . 30643 1 156 . 1 . 1 23 23 LYS HG3 H 1 1.705 0.000 . 1 . . . . A 23 LYS HG3 . 30643 1 157 . 1 . 1 23 23 LYS HD2 H 1 1.636 0.000 . 1 . . . . A 23 LYS HD2 . 30643 1 158 . 1 . 1 23 23 LYS HD3 H 1 1.636 0.000 . 1 . . . . A 23 LYS HD3 . 30643 1 159 . 1 . 1 23 23 LYS HE2 H 1 3.014 0.001 . 2 . . . . A 23 LYS HE2 . 30643 1 160 . 1 . 1 23 23 LYS HE3 H 1 2.896 0.000 . 2 . . . . A 23 LYS HE3 . 30643 1 161 . 1 . 1 24 24 ARG H H 1 7.096 0.000 . 1 . . . . A 24 ARG H . 30643 1 162 . 1 . 1 24 24 ARG HA H 1 4.122 0.001 . 1 . . . . A 24 ARG HA . 30643 1 163 . 1 . 1 24 24 ARG HB2 H 1 1.833 0.000 . 2 . . . . A 24 ARG HB2 . 30643 1 164 . 1 . 1 24 24 ARG HB3 H 1 1.802 0.000 . 2 . . . . A 24 ARG HB3 . 30643 1 165 . 1 . 1 24 24 ARG HG2 H 1 1.896 0.000 . 2 . . . . A 24 ARG HG2 . 30643 1 166 . 1 . 1 24 24 ARG HG3 H 1 1.644 0.000 . 2 . . . . A 24 ARG HG3 . 30643 1 167 . 1 . 1 24 24 ARG HD2 H 1 3.169 0.000 . 1 . . . . A 24 ARG HD2 . 30643 1 168 . 1 . 1 24 24 ARG HD3 H 1 3.169 0.000 . 1 . . . . A 24 ARG HD3 . 30643 1 169 . 1 . 1 24 24 ARG HE H 1 7.241 0.000 . 1 . . . . A 24 ARG HE . 30643 1 170 . 1 . 1 25 25 THR H H 1 7.678 0.000 . 1 . . . . A 25 THR H . 30643 1 171 . 1 . 1 25 25 THR HA H 1 4.074 0.001 . 1 . . . . A 25 THR HA . 30643 1 172 . 1 . 1 25 25 THR HB H 1 3.999 0.001 . 1 . . . . A 25 THR HB . 30643 1 173 . 1 . 1 25 25 THR HG21 H 1 1.154 0.000 . 1 . . . . A 25 THR HG21 . 30643 1 174 . 1 . 1 25 25 THR HG22 H 1 1.154 0.000 . 1 . . . . A 25 THR HG22 . 30643 1 175 . 1 . 1 25 25 THR HG23 H 1 1.154 0.000 . 1 . . . . A 25 THR HG23 . 30643 1 176 . 1 . 1 26 26 HIS H H 1 7.009 0.000 . 1 . . . . A 26 HIS H . 30643 1 177 . 1 . 1 26 26 HIS HA H 1 4.396 0.000 . 1 . . . . A 26 HIS HA . 30643 1 178 . 1 . 1 26 26 HIS HB2 H 1 2.231 0.001 . 2 . . . . A 26 HIS HB2 . 30643 1 179 . 1 . 1 26 26 HIS HB3 H 1 1.552 0.000 . 2 . . . . A 26 HIS HB3 . 30643 1 180 . 1 . 1 26 26 HIS HD2 H 1 6.330 0.000 . 1 . . . . A 26 HIS HD2 . 30643 1 181 . 1 . 1 26 26 HIS HE1 H 1 8.078 0.000 . 1 . . . . A 26 HIS HE1 . 30643 1 182 . 1 . 1 27 27 THR H H 1 7.538 0.001 . 1 . . . . A 27 THR H . 30643 1 183 . 1 . 1 27 27 THR HA H 1 4.239 0.002 . 1 . . . . A 27 THR HA . 30643 1 184 . 1 . 1 27 27 THR HB H 1 4.277 0.001 . 1 . . . . A 27 THR HB . 30643 1 185 . 1 . 1 27 27 THR HG21 H 1 1.139 0.001 . 1 . . . . A 27 THR HG21 . 30643 1 186 . 1 . 1 27 27 THR HG22 H 1 1.139 0.001 . 1 . . . . A 27 THR HG22 . 30643 1 187 . 1 . 1 27 27 THR HG23 H 1 1.139 0.001 . 1 . . . . A 27 THR HG23 . 30643 1 188 . 1 . 1 28 28 GLY H H 1 8.225 0.000 . 1 . . . . A 28 GLY H . 30643 1 189 . 1 . 1 28 28 GLY HA2 H 1 4.045 0.000 . 2 . . . . A 28 GLY HA2 . 30643 1 190 . 1 . 1 28 28 GLY HA3 H 1 3.958 0.000 . 2 . . . . A 28 GLY HA3 . 30643 1 191 . 1 . 1 29 29 GLU H H 1 8.146 0.001 . 1 . . . . A 29 GLU H . 30643 1 192 . 1 . 1 29 29 GLU HA H 1 4.242 0.001 . 1 . . . . A 29 GLU HA . 30643 1 193 . 1 . 1 29 29 GLU HB2 H 1 2.044 0.003 . 2 . . . . A 29 GLU HB2 . 30643 1 194 . 1 . 1 29 29 GLU HB3 H 1 1.941 0.001 . 2 . . . . A 29 GLU HB3 . 30643 1 195 . 1 . 1 29 29 GLU HG2 H 1 2.252 0.001 . 1 . . . . A 29 GLU HG2 . 30643 1 196 . 1 . 1 29 29 GLU HG3 H 1 2.252 0.001 . 1 . . . . A 29 GLU HG3 . 30643 1 197 . 1 . 1 30 30 LYS H H 1 8.421 0.001 . 1 . . . . A 30 LYS H . 30643 1 198 . 1 . 1 30 30 LYS HA H 1 4.226 0.001 . 1 . . . . A 30 LYS HA . 30643 1 199 . 1 . 1 30 30 LYS HB2 H 1 1.822 0.001 . 2 . . . . A 30 LYS HB2 . 30643 1 200 . 1 . 1 30 30 LYS HB3 H 1 1.741 0.001 . 2 . . . . A 30 LYS HB3 . 30643 1 201 . 1 . 1 30 30 LYS HG2 H 1 1.441 0.001 . 2 . . . . A 30 LYS HG2 . 30643 1 202 . 1 . 1 30 30 LYS HG3 H 1 1.379 0.002 . 2 . . . . A 30 LYS HG3 . 30643 1 203 . 1 . 1 30 30 LYS HD2 H 1 1.652 0.001 . 1 . . . . A 30 LYS HD2 . 30643 1 204 . 1 . 1 30 30 LYS HD3 H 1 1.652 0.001 . 1 . . . . A 30 LYS HD3 . 30643 1 205 . 1 . 1 30 30 LYS HE2 H 1 2.975 0.003 . 1 . . . . A 30 LYS HE2 . 30643 1 206 . 1 . 1 30 30 LYS HE3 H 1 2.975 0.003 . 1 . . . . A 30 LYS HE3 . 30643 1 stop_ save_