################################### # 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 30244 _Assigned_chem_shift_list.ID 1 _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 TOCSY' . . . 30244 1 2 '2D COSY' . . . 30244 1 3 '2D NOESY' . . . 30244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 2 2 TYR H H 1 9.011 0.00 . 1 . . . . A 2 TYR H . 30244 1 2 . 1 1 2 2 TYR HA H 1 5.142 0.00 . 1 . . . . A 2 TYR HA . 30244 1 3 . 1 1 2 2 TYR HB2 H 1 2.600 0.00 . 2 . . . . A 2 TYR HB2 . 30244 1 4 . 1 1 2 2 TYR HB3 H 1 3.028 0.00 . 2 . . . . A 2 TYR HB3 . 30244 1 5 . 1 1 2 2 TYR HD1 H 1 7.019 0.00 . 3 . . . . A 2 TYR HD1 . 30244 1 6 . 1 1 2 2 TYR HD2 H 1 7.019 0.00 . 3 . . . . A 2 TYR HD2 . 30244 1 7 . 1 1 2 2 TYR HE1 H 1 6.879 0.00 . 3 . . . . A 2 TYR HE1 . 30244 1 8 . 1 1 2 2 TYR HE2 H 1 6.879 0.00 . 3 . . . . A 2 TYR HE2 . 30244 1 9 . 1 1 3 3 MAA HA H 1 5.425 0.00 . 1 . . . . A 3 MAA HA . 30244 1 10 . 1 1 3 3 MAA HB1 H 1 1.481 0.00 . 1 . . . . A 3 MAA HB1 . 30244 1 11 . 1 1 3 3 MAA HB2 H 1 1.481 0.00 . 1 . . . . A 3 MAA HB2 . 30244 1 12 . 1 1 3 3 MAA HB3 H 1 1.481 0.00 . 1 . . . . A 3 MAA HB3 . 30244 1 13 . 1 1 3 3 MAA HM1 H 1 3.403 0.00 . 1 . . . . A 3 MAA HM1 . 30244 1 14 . 1 1 3 3 MAA HM2 H 1 3.403 0.00 . 1 . . . . A 3 MAA HM2 . 30244 1 15 . 1 1 3 3 MAA HM3 H 1 3.403 0.00 . 1 . . . . A 3 MAA HM3 . 30244 1 16 . 1 1 4 4 CYS H H 1 8.644 0.00 . 1 . . . . A 4 CYS H . 30244 1 17 . 1 1 4 4 CYS HA H 1 4.863 0.00 . 1 . . . . A 4 CYS HA . 30244 1 18 . 1 1 4 4 CYS HB2 H 1 2.867 0.00 . 2 . . . . A 4 CYS HB2 . 30244 1 19 . 1 1 4 4 CYS HB3 H 1 3.734 0.00 . 2 . . . . A 4 CYS HB3 . 30244 1 20 . 1 1 5 5 PRO HA H 1 4.599 0.00 . 1 . . . . A 5 PRO HA . 30244 1 21 . 1 1 5 5 PRO HB2 H 1 2.394 0.00 . 1 . . . . A 5 PRO HB2 . 30244 1 22 . 1 1 5 5 PRO HB3 H 1 2.394 0.00 . 1 . . . . A 5 PRO HB3 . 30244 1 23 . 1 1 5 5 PRO HG2 H 1 2.069 0.00 . 2 . . . . A 5 PRO HG2 . 30244 1 24 . 1 1 5 5 PRO HG3 H 1 2.155 0.00 . 2 . . . . A 5 PRO HG3 . 30244 1 25 . 1 1 5 5 PRO HD2 H 1 3.931 0.00 . 2 . . . . A 5 PRO HD2 . 30244 1 26 . 1 1 5 5 PRO HD3 H 1 4.503 0.00 . 2 . . . . A 5 PRO HD3 . 30244 1 27 . 1 1 6 6 GLU H H 1 9.683 0.00 . 1 . . . . A 6 GLU H . 30244 1 28 . 1 1 6 6 GLU HA H 1 4.454 0.00 . 1 . . . . A 6 GLU HA . 30244 1 29 . 1 1 6 6 GLU HB2 H 1 0.603 0.00 . 2 . . . . A 6 GLU HB2 . 30244 1 30 . 1 1 6 6 GLU HB3 H 1 1.645 0.00 . 2 . . . . A 6 GLU HB3 . 30244 1 31 . 1 1 6 6 GLU HG2 H 1 1.833 0.00 . 2 . . . . A 6 GLU HG2 . 30244 1 32 . 1 1 6 6 GLU HG3 H 1 1.875 0.00 . 2 . . . . A 6 GLU HG3 . 30244 1 33 . 1 1 7 7 CYS H H 1 8.193 0.00 . 1 . . . . A 7 CYS H . 30244 1 34 . 1 1 7 7 CYS HA H 1 5.166 0.00 . 1 . . . . A 7 CYS HA . 30244 1 35 . 1 1 7 7 CYS HB2 H 1 3.149 0.00 . 2 . . . . A 7 CYS HB2 . 30244 1 36 . 1 1 7 7 CYS HB3 H 1 3.470 0.00 . 2 . . . . A 7 CYS HB3 . 30244 1 37 . 1 1 8 8 PRO HA H 1 4.697 0.00 . 1 . . . . A 8 PRO HA . 30244 1 38 . 1 1 8 8 PRO HB2 H 1 2.022 0.00 . 2 . . . . A 8 PRO HB2 . 30244 1 39 . 1 1 8 8 PRO HB3 H 1 2.328 0.00 . 2 . . . . A 8 PRO HB3 . 30244 1 40 . 1 1 8 8 PRO HG2 H 1 1.978 0.00 . 1 . . . . A 8 PRO HG2 . 30244 1 41 . 1 1 8 8 PRO HG3 H 1 1.978 0.00 . 1 . . . . A 8 PRO HG3 . 30244 1 42 . 1 1 8 8 PRO HD2 H 1 3.644 0.00 . 2 . . . . A 8 PRO HD2 . 30244 1 43 . 1 1 8 8 PRO HD3 H 1 3.854 0.00 . 2 . . . . A 8 PRO HD3 . 30244 1 44 . 1 1 9 9 LYS H H 1 8.332 0.00 . 1 . . . . A 9 LYS H . 30244 1 45 . 1 1 9 9 LYS HA H 1 4.415 0.00 . 1 . . . . A 9 LYS HA . 30244 1 46 . 1 1 9 9 LYS HB2 H 1 1.431 0.00 . 1 . . . . A 9 LYS HB2 . 30244 1 47 . 1 1 9 9 LYS HB3 H 1 1.431 0.00 . 1 . . . . A 9 LYS HB3 . 30244 1 48 . 1 1 9 9 LYS HG2 H 1 1.282 0.00 . 1 . . . . A 9 LYS HG2 . 30244 1 49 . 1 1 9 9 LYS HG3 H 1 1.282 0.00 . 1 . . . . A 9 LYS HG3 . 30244 1 50 . 1 1 9 9 LYS HD2 H 1 1.571 0.00 . 2 . . . . A 9 LYS HD2 . 30244 1 51 . 1 1 9 9 LYS HD3 H 1 1.644 0.00 . 2 . . . . A 9 LYS HD3 . 30244 1 52 . 1 1 9 9 LYS HE2 H 1 3.010 0.00 . 1 . . . . A 9 LYS HE2 . 30244 1 53 . 1 1 9 9 LYS HE3 H 1 3.010 0.00 . 1 . . . . A 9 LYS HE3 . 30244 1 54 . 1 1 10 10 MMO HA H 1 5.656 0.00 . 1 . . . . A 10 MMO HA . 30244 1 55 . 1 1 10 10 MMO HC1 H 1 2.914 0.00 . 1 . . . . A 10 MMO HC1 . 30244 1 56 . 1 1 10 10 MMO HC2 H 1 2.914 0.00 . 1 . . . . A 10 MMO HC2 . 30244 1 57 . 1 1 10 10 MMO HC3 H 1 2.914 0.00 . 1 . . . . A 10 MMO HC3 . 30244 1 58 . 1 1 10 10 MMO HCB1 H 1 1.810 0.00 . 2 . . . . A 10 MMO HCB1 . 30244 1 59 . 1 1 10 10 MMO HCB2 H 1 1.568 0.00 . 2 . . . . A 10 MMO HCB2 . 30244 1 60 . 1 1 10 10 MMO HCD1 H 1 3.066 0.00 . 2 . . . . A 10 MMO HCD1 . 30244 1 61 . 1 1 10 10 MMO HCD2 H 1 3.066 0.00 . 2 . . . . A 10 MMO HCD2 . 30244 1 62 . 1 1 10 10 MMO HCG1 H 1 1.512 0.00 . 2 . . . . A 10 MMO HCG1 . 30244 1 63 . 1 1 10 10 MMO HCG2 H 1 1.332 0.00 . 2 . . . . A 10 MMO HCG2 . 30244 1 64 . 1 1 11 11 PHE H H 1 8.717 0.00 . 1 . . . . A 11 PHE H . 30244 1 65 . 1 1 11 11 PHE HA H 1 4.740 0.01 . 1 . . . . A 11 PHE HA . 30244 1 66 . 1 1 11 11 PHE HB2 H 1 2.597 0.00 . 2 . . . . A 11 PHE HB2 . 30244 1 67 . 1 1 11 11 PHE HB3 H 1 3.357 0.00 . 2 . . . . A 11 PHE HB3 . 30244 1 68 . 1 1 11 11 PHE HD1 H 1 7.059 0.00 . 3 . . . . A 11 PHE HD1 . 30244 1 69 . 1 1 11 11 PHE HD2 H 1 7.059 0.00 . 3 . . . . A 11 PHE HD2 . 30244 1 70 . 1 1 11 11 PHE HE1 H 1 6.753 0.00 . 3 . . . . A 11 PHE HE1 . 30244 1 71 . 1 1 11 11 PHE HE2 H 1 6.753 0.00 . 3 . . . . A 11 PHE HE2 . 30244 1 72 . 1 1 11 11 PHE HZ H 1 5.990 0.00 . 1 . . . . A 11 PHE HZ . 30244 1 73 . 1 1 12 12 NLE HA H 1 4.341 0.00 . 1 . . . . A 12 NLE HA . 30244 1 74 . 1 1 12 12 NLE HB2 H 1 1.970 0.00 . 2 . . . . A 12 NLE HB2 . 30244 1 75 . 1 1 12 12 NLE HB3 H 1 2.019 0.00 . 2 . . . . A 12 NLE HB3 . 30244 1 76 . 1 1 12 12 NLE HD2 H 1 1.415 0.00 . 2 . . . . A 12 NLE HD2 . 30244 1 77 . 1 1 12 12 NLE HD3 H 1 1.415 0.00 . 2 . . . . A 12 NLE HD3 . 30244 1 78 . 1 1 12 12 NLE HE1 H 1 0.931 0.00 . 2 . . . . A 12 NLE HE1 . 30244 1 79 . 1 1 12 12 NLE HE2 H 1 0.931 0.00 . 1 . . . . A 12 NLE HE2 . 30244 1 80 . 1 1 12 12 NLE HE3 H 1 0.931 0.00 . 1 . . . . A 12 NLE HE3 . 30244 1 81 . 1 1 12 12 NLE HG2 H 1 1.522 0.00 . 1 . . . . A 12 NLE HG2 . 30244 1 82 . 1 1 12 12 NLE HG3 H 1 1.522 0.00 . 2 . . . . A 12 NLE HG3 . 30244 1 83 . 1 1 13 13 ARG H H 1 7.854 0.00 . 1 . . . . A 13 ARG H . 30244 1 84 . 1 1 13 13 ARG HA H 1 4.947 0.00 . 1 . . . . A 13 ARG HA . 30244 1 85 . 1 1 13 13 ARG HB2 H 1 1.987 0.00 . 1 . . . . A 13 ARG HB2 . 30244 1 86 . 1 1 13 13 ARG HB3 H 1 1.987 0.00 . 1 . . . . A 13 ARG HB3 . 30244 1 87 . 1 1 13 13 ARG HG2 H 1 1.541 0.00 . 2 . . . . A 13 ARG HG2 . 30244 1 88 . 1 1 13 13 ARG HG3 H 1 1.647 0.00 . 2 . . . . A 13 ARG HG3 . 30244 1 89 . 1 1 13 13 ARG HD2 H 1 3.198 0.00 . 2 . . . . A 13 ARG HD2 . 30244 1 90 . 1 1 13 13 ARG HD3 H 1 3.198 0.00 . 2 . . . . A 13 ARG HD3 . 30244 1 91 . 1 1 13 13 ARG HE H 1 7.137 0.00 . 1 . . . . A 13 ARG HE . 30244 1 92 . 1 1 14 14 SER H H 1 8.610 0.00 . 1 . . . . A 14 SER H . 30244 1 93 . 1 1 14 14 SER HA H 1 3.535 0.00 . 1 . . . . A 14 SER HA . 30244 1 94 . 1 1 14 14 SER HB2 H 1 3.416 0.00 . 2 . . . . A 14 SER HB2 . 30244 1 95 . 1 1 14 14 SER HB3 H 1 3.416 0.00 . 2 . . . . A 14 SER HB3 . 30244 1 96 . 1 1 15 15 B3D H H 1 8.451 0.00 . 1 . . . . A 15 B3D H . 30244 1 97 . 1 1 15 15 B3D HA1 H 1 2.366 0.00 . 2 . . . . A 15 B3D HA1 . 30244 1 98 . 1 1 15 15 B3D HA2 H 1 2.447 0.00 . 2 . . . . A 15 B3D HA2 . 30244 1 99 . 1 1 15 15 B3D HB H 1 4.650 0.00 . 1 . . . . A 15 B3D HB . 30244 1 100 . 1 1 15 15 B3D HG2 H 1 2.362 0.00 . 2 . . . . A 15 B3D HG2 . 30244 1 101 . 1 1 15 15 B3D HG3 H 1 2.362 0.00 . 2 . . . . A 15 B3D HG3 . 30244 1 102 . 1 1 16 16 HIS H H 1 7.138 0.00 . 1 . . . . A 16 HIS H . 30244 1 103 . 1 1 16 16 HIS HA H 1 4.345 0.00 . 1 . . . . A 16 HIS HA . 30244 1 104 . 1 1 16 16 HIS HB2 H 1 3.376 0.00 . 2 . . . . A 16 HIS HB2 . 30244 1 105 . 1 1 16 16 HIS HB3 H 1 3.431 0.00 . 2 . . . . A 16 HIS HB3 . 30244 1 106 . 1 1 16 16 HIS HD1 H 1 7.090 0.00 . 1 . . . . A 16 HIS HD1 . 30244 1 107 . 1 1 16 16 HIS HE1 H 1 6.932 0.00 . 1 . . . . A 16 HIS HE1 . 30244 1 108 . 1 1 17 17 LEU H H 1 7.684 0.00 . 1 . . . . A 17 LEU H . 30244 1 109 . 1 1 17 17 LEU HA H 1 3.181 0.00 . 1 . . . . A 17 LEU HA . 30244 1 110 . 1 1 17 17 LEU HB2 H 1 2.108 0.00 . 2 . . . . A 17 LEU HB2 . 30244 1 111 . 1 1 17 17 LEU HB3 H 1 2.108 0.00 . 2 . . . . A 17 LEU HB3 . 30244 1 112 . 1 1 17 17 LEU HG H 1 1.499 0.00 . 1 . . . . A 17 LEU HG . 30244 1 113 . 1 1 17 17 LEU HD11 H 1 0.899 0.00 . 2 . . . . A 17 LEU HD11 . 30244 1 114 . 1 1 17 17 LEU HD12 H 1 0.899 0.00 . 2 . . . . A 17 LEU HD12 . 30244 1 115 . 1 1 17 17 LEU HD13 H 1 0.899 0.00 . 2 . . . . A 17 LEU HD13 . 30244 1 116 . 1 1 17 17 LEU HD21 H 1 1.129 0.00 . 2 . . . . A 17 LEU HD21 . 30244 1 117 . 1 1 17 17 LEU HD22 H 1 1.129 0.00 . 2 . . . . A 17 LEU HD22 . 30244 1 118 . 1 1 17 17 LEU HD23 H 1 1.129 0.00 . 2 . . . . A 17 LEU HD23 . 30244 1 119 . 1 1 18 18 SER H H 1 7.943 0.00 . 1 . . . . A 18 SER H . 30244 1 120 . 1 1 18 18 SER HA H 1 3.994 0.00 . 1 . . . . A 18 SER HA . 30244 1 121 . 1 1 18 18 SER HB2 H 1 3.932 0.00 . 1 . . . . A 18 SER HB2 . 30244 1 122 . 1 1 18 18 SER HB3 H 1 3.932 0.00 . 1 . . . . A 18 SER HB3 . 30244 1 123 . 1 1 19 19 B3K H H 1 7.600 0.00 . 1 . . . . A 19 B3K H . 30244 1 124 . 1 1 19 19 B3K HA1 H 1 2.365 0.00 . 2 . . . . A 19 B3K HA1 . 30244 1 125 . 1 1 19 19 B3K HA2 H 1 2.434 0.00 . 2 . . . . A 19 B3K HA2 . 30244 1 126 . 1 1 19 19 B3K HB H 1 4.103 0.00 . 1 . . . . A 19 B3K HB . 30244 1 127 . 1 1 19 19 B3K HD2 H 1 1.355 0.00 . 2 . . . . A 19 B3K HD2 . 30244 1 128 . 1 1 19 19 B3K HD3 H 1 1.355 0.00 . 2 . . . . A 19 B3K HD3 . 30244 1 129 . 1 1 19 19 B3K HE2 H 1 1.588 0.00 . 2 . . . . A 19 B3K HE2 . 30244 1 130 . 1 1 19 19 B3K HE3 H 1 1.588 0.00 . 2 . . . . A 19 B3K HE3 . 30244 1 131 . 1 1 19 19 B3K HF1 H 1 2.925 0.00 . 2 . . . . A 19 B3K HF1 . 30244 1 132 . 1 1 19 19 B3K HF2 H 1 2.925 0.00 . 2 . . . . A 19 B3K HF2 . 30244 1 133 . 1 1 19 19 B3K HG2 H 1 1.536 0.00 . 2 . . . . A 19 B3K HG2 . 30244 1 134 . 1 1 19 19 B3K HG3 H 1 1.536 0.00 . 2 . . . . A 19 B3K HG3 . 30244 1 135 . 1 1 20 20 HIS H H 1 8.176 0.00 . 1 . . . . A 20 HIS H . 30244 1 136 . 1 1 20 20 HIS HA H 1 4.212 0.00 . 1 . . . . A 20 HIS HA . 30244 1 137 . 1 1 20 20 HIS HB2 H 1 2.709 0.00 . 2 . . . . A 20 HIS HB2 . 30244 1 138 . 1 1 20 20 HIS HB3 H 1 3.293 0.00 . 2 . . . . A 20 HIS HB3 . 30244 1 139 . 1 1 20 20 HIS HD2 H 1 7.159 0.00 . 1 . . . . A 20 HIS HD2 . 30244 1 140 . 1 1 20 20 HIS HE1 H 1 7.887 0.00 . 1 . . . . A 20 HIS HE1 . 30244 1 141 . 1 1 21 21 ILE H H 1 8.980 0.00 . 1 . . . . A 21 ILE H . 30244 1 142 . 1 1 21 21 ILE HA H 1 3.425 0.00 . 1 . . . . A 21 ILE HA . 30244 1 143 . 1 1 21 21 ILE HB H 1 1.939 0.00 . 1 . . . . A 21 ILE HB . 30244 1 144 . 1 1 21 21 ILE HG12 H 1 1.390 0.00 . 2 . . . . A 21 ILE HG12 . 30244 1 145 . 1 1 21 21 ILE HG13 H 1 1.390 0.00 . 2 . . . . A 21 ILE HG13 . 30244 1 146 . 1 1 21 21 ILE HG21 H 1 0.974 0.00 . 1 . . . . A 21 ILE HG21 . 30244 1 147 . 1 1 21 21 ILE HG22 H 1 0.974 0.00 . 1 . . . . A 21 ILE HG22 . 30244 1 148 . 1 1 21 21 ILE HG23 H 1 0.974 0.00 . 1 . . . . A 21 ILE HG23 . 30244 1 149 . 1 1 21 21 ILE HD11 H 1 0.938 0.00 . 1 . . . . A 21 ILE HD11 . 30244 1 150 . 1 1 21 21 ILE HD12 H 1 0.938 0.00 . 1 . . . . A 21 ILE HD12 . 30244 1 151 . 1 1 21 21 ILE HD13 H 1 0.938 0.00 . 1 . . . . A 21 ILE HD13 . 30244 1 152 . 1 1 22 22 B3K H H 1 6.900 0.00 . 1 . . . . A 22 B3K H . 30244 1 153 . 1 1 22 22 B3K HA1 H 1 2.359 0.00 . 2 . . . . A 22 B3K HA1 . 30244 1 154 . 1 1 22 22 B3K HA2 H 1 2.526 0.00 . 2 . . . . A 22 B3K HA2 . 30244 1 155 . 1 1 22 22 B3K HB H 1 3.987 0.00 . 1 . . . . A 22 B3K HB . 30244 1 156 . 1 1 22 22 B3K HD2 H 1 1.390 0.00 . 2 . . . . A 22 B3K HD2 . 30244 1 157 . 1 1 22 22 B3K HD3 H 1 1.390 0.00 . 2 . . . . A 22 B3K HD3 . 30244 1 158 . 1 1 22 22 B3K HE2 H 1 1.515 0.00 . 2 . . . . A 22 B3K HE2 . 30244 1 159 . 1 1 22 22 B3K HE3 H 1 1.515 0.00 . 2 . . . . A 22 B3K HE3 . 30244 1 160 . 1 1 22 22 B3K HF1 H 1 2.985 0.00 . 2 . . . . A 22 B3K HF1 . 30244 1 161 . 1 1 22 22 B3K HF2 H 1 2.985 0.00 . 2 . . . . A 22 B3K HF2 . 30244 1 162 . 1 1 22 22 B3K HG2 H 1 1.630 0.00 . 2 . . . . A 22 B3K HG2 . 30244 1 163 . 1 1 22 22 B3K HG3 H 1 1.630 0.00 . 2 . . . . A 22 B3K HG3 . 30244 1 164 . 1 1 23 23 THR H H 1 7.570 0.00 . 1 . . . . A 23 THR H . 30244 1 165 . 1 1 23 23 THR HA H 1 3.908 0.00 . 1 . . . . A 23 THR HA . 30244 1 166 . 1 1 23 23 THR HB H 1 3.794 0.00 . 1 . . . . A 23 THR HB . 30244 1 167 . 1 1 23 23 THR HG21 H 1 1.020 0.00 . 1 . . . . A 23 THR HG21 . 30244 1 168 . 1 1 23 23 THR HG22 H 1 1.020 0.00 . 1 . . . . A 23 THR HG22 . 30244 1 169 . 1 1 23 23 THR HG23 H 1 1.020 0.00 . 1 . . . . A 23 THR HG23 . 30244 1 170 . 1 1 24 24 HIS H H 1 7.776 0.00 . 1 . . . . A 24 HIS H . 30244 1 171 . 1 1 24 24 HIS HA H 1 4.776 0.00 . 1 . . . . A 24 HIS HA . 30244 1 172 . 1 1 24 24 HIS HB2 H 1 3.272 0.00 . 2 . . . . A 24 HIS HB2 . 30244 1 173 . 1 1 24 24 HIS HB3 H 1 3.357 0.00 . 2 . . . . A 24 HIS HB3 . 30244 1 174 . 1 1 24 24 HIS HD2 H 1 6.383 0.00 . 1 . . . . A 24 HIS HD2 . 30244 1 175 . 1 1 24 24 HIS HE1 H 1 7.900 0.00 . 1 . . . . A 24 HIS HE1 . 30244 1 176 . 1 1 25 25 B3Q H8 H 1 2.447 0.00 . 2 . . . . A 25 B3Q H8 . 30244 1 177 . 1 1 25 25 B3Q H9 H 1 2.322 0.00 . 2 . . . . A 25 B3Q H9 . 30244 1 178 . 1 1 25 25 B3Q H11 H 1 6.907 0.00 . 2 . . . . A 25 B3Q H11 . 30244 1 179 . 1 1 25 25 B3Q H12 H 1 7.663 0.00 . 2 . . . . A 25 B3Q H12 . 30244 1 180 . 1 1 25 25 B3Q HA H 1 2.545 0.00 . 2 . . . . A 25 B3Q HA . 30244 1 181 . 1 1 25 25 B3Q HAA H 1 2.545 0.00 . 2 . . . . A 25 B3Q HAA . 30244 1 182 . 1 1 25 25 B3Q HB H 1 4.242 0.00 . 1 . . . . A 25 B3Q HB . 30244 1 183 . 1 1 25 25 B3Q HG H 1 1.908 0.00 . 2 . . . . A 25 B3Q HG . 30244 1 184 . 1 1 25 25 B3Q HGA H 1 1.725 0.00 . 2 . . . . A 25 B3Q HGA . 30244 1 185 . 1 1 25 25 B3Q HN H 1 7.496 0.00 . 1 . . . . A 25 B3Q HN . 30244 1 186 . 1 1 26 26 ASN H H 1 8.519 0.00 . 1 . . . . A 26 ASN H . 30244 1 187 . 1 1 26 26 ASN HA H 1 4.609 0.00 . 1 . . . . A 26 ASN HA . 30244 1 188 . 1 1 26 26 ASN HB2 H 1 2.764 0.00 . 2 . . . . A 26 ASN HB2 . 30244 1 189 . 1 1 26 26 ASN HB3 H 1 2.851 0.00 . 2 . . . . A 26 ASN HB3 . 30244 1 190 . 1 1 26 26 ASN HD21 H 1 7.015 0.00 . 2 . . . . A 26 ASN HD21 . 30244 1 191 . 1 1 26 26 ASN HD22 H 1 7.738 0.00 . 2 . . . . A 26 ASN HD22 . 30244 1 192 . 1 1 27 27 LYS H H 1 8.471 0.00 . 1 . . . . A 27 LYS H . 30244 1 193 . 1 1 27 27 LYS HA H 1 4.319 0.00 . 1 . . . . A 27 LYS HA . 30244 1 194 . 1 1 27 27 LYS HB2 H 1 1.795 0.00 . 2 . . . . A 27 LYS HB2 . 30244 1 195 . 1 1 27 27 LYS HB3 H 1 1.898 0.00 . 2 . . . . A 27 LYS HB3 . 30244 1 196 . 1 1 27 27 LYS HG2 H 1 1.445 0.00 . 2 . . . . A 27 LYS HG2 . 30244 1 197 . 1 1 27 27 LYS HG3 H 1 1.445 0.00 . 2 . . . . A 27 LYS HG3 . 30244 1 198 . 1 1 27 27 LYS HD2 H 1 1.688 0.00 . 2 . . . . A 27 LYS HD2 . 30244 1 199 . 1 1 27 27 LYS HD3 H 1 1.688 0.00 . 2 . . . . A 27 LYS HD3 . 30244 1 200 . 1 1 27 27 LYS HE2 H 1 3.005 0.00 . 2 . . . . A 27 LYS HE2 . 30244 1 201 . 1 1 27 27 LYS HE3 H 1 3.005 0.00 . 2 . . . . A 27 LYS HE3 . 30244 1 202 . 1 1 28 28 LYS H H 1 8.434 0.00 . 1 . . . . A 28 LYS H . 30244 1 203 . 1 1 28 28 LYS HA H 1 4.259 0.00 . 1 . . . . A 28 LYS HA . 30244 1 204 . 1 1 28 28 LYS HB2 H 1 1.804 0.00 . 2 . . . . A 28 LYS HB2 . 30244 1 205 . 1 1 28 28 LYS HB3 H 1 1.860 0.00 . 2 . . . . A 28 LYS HB3 . 30244 1 206 . 1 1 28 28 LYS HG2 H 1 1.459 0.00 . 2 . . . . A 28 LYS HG2 . 30244 1 207 . 1 1 28 28 LYS HG3 H 1 1.459 0.00 . 2 . . . . A 28 LYS HG3 . 30244 1 208 . 1 1 28 28 LYS HD2 H 1 1.690 0.00 . 2 . . . . A 28 LYS HD2 . 30244 1 209 . 1 1 28 28 LYS HD3 H 1 1.690 0.00 . 2 . . . . A 28 LYS HD3 . 30244 1 210 . 1 1 28 28 LYS HE2 H 1 3.008 0.00 . 2 . . . . A 28 LYS HE2 . 30244 1 211 . 1 1 28 28 LYS HE3 H 1 3.008 0.00 . 2 . . . . A 28 LYS HE3 . 30244 1 212 . 1 1 29 29 NH2 HN1 H 1 7.699 0.00 . 2 . . . . A 29 NH2 HN1 . 30244 1 213 . 1 1 29 29 NH2 HN2 H 1 7.243 0.00 . 2 . . . . A 29 NH2 HN2 . 30244 1 stop_ save_