################################### # 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 36047 _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 0.01 _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 DQF-COSY' 1 $sample_1 isotropic 36047 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36047 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36047 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 GLU HA H 1 4.032 0.01 . . . . . . A 1 GLU HA . 36047 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.016 0.01 . . . . . . A 1 GLU HB2 . 36047 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.016 0.01 . . . . . . A 1 GLU HB3 . 36047 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.220 0.01 . . . . . . A 1 GLU HG2 . 36047 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.220 0.01 . . . . . . A 1 GLU HG3 . 36047 1 6 . 1 . 1 2 2 VAL H H 1 8.619 0.01 . . . . . . A 2 VAL H . 36047 1 7 . 1 . 1 2 2 VAL HA H 1 4.336 0.01 . . . . . . A 2 VAL HA . 36047 1 8 . 1 . 1 2 2 VAL HB H 1 1.868 0.01 . . . . . . A 2 VAL HB . 36047 1 9 . 1 . 1 2 2 VAL HG11 H 1 0.853 0.01 . . . . . . A 2 VAL HG11 . 36047 1 10 . 1 . 1 2 2 VAL HG12 H 1 0.853 0.01 . . . . . . A 2 VAL HG12 . 36047 1 11 . 1 . 1 2 2 VAL HG13 H 1 0.853 0.01 . . . . . . A 2 VAL HG13 . 36047 1 12 . 1 . 1 2 2 VAL HG21 H 1 0.802 0.01 . . . . . . A 2 VAL HG21 . 36047 1 13 . 1 . 1 2 2 VAL HG22 H 1 0.802 0.01 . . . . . . A 2 VAL HG22 . 36047 1 14 . 1 . 1 2 2 VAL HG23 H 1 0.802 0.01 . . . . . . A 2 VAL HG23 . 36047 1 15 . 1 . 1 3 3 ILE H H 1 8.829 0.01 . . . . . . A 3 ILE H . 36047 1 16 . 1 . 1 3 3 ILE HA H 1 3.928 0.01 . . . . . . A 3 ILE HA . 36047 1 17 . 1 . 1 3 3 ILE HB H 1 1.422 0.01 . . . . . . A 3 ILE HB . 36047 1 18 . 1 . 1 3 3 ILE HG12 H 1 0.839 0.01 . . . . . . A 3 ILE HG12 . 36047 1 19 . 1 . 1 3 3 ILE HG13 H 1 0.720 0.01 . . . . . . A 3 ILE HG13 . 36047 1 20 . 1 . 1 3 3 ILE HG21 H 1 0.528 0.01 . . . . . . A 3 ILE HG21 . 36047 1 21 . 1 . 1 3 3 ILE HG22 H 1 0.528 0.01 . . . . . . A 3 ILE HG22 . 36047 1 22 . 1 . 1 3 3 ILE HG23 H 1 0.528 0.01 . . . . . . A 3 ILE HG23 . 36047 1 23 . 1 . 1 3 3 ILE HD11 H 1 0.432 0.01 . . . . . . A 3 ILE HD11 . 36047 1 24 . 1 . 1 3 3 ILE HD12 H 1 0.432 0.01 . . . . . . A 3 ILE HD12 . 36047 1 25 . 1 . 1 3 3 ILE HD13 H 1 0.432 0.01 . . . . . . A 3 ILE HD13 . 36047 1 26 . 1 . 1 4 4 LYS H H 1 7.601 0.01 . . . . . . A 4 LYS H . 36047 1 27 . 1 . 1 4 4 LYS HA H 1 5.145 0.01 . . . . . . A 4 LYS HA . 36047 1 28 . 1 . 1 4 4 LYS HB2 H 1 1.278 0.01 . . . . . . A 4 LYS HB2 . 36047 1 29 . 1 . 1 4 4 LYS HB3 H 1 1.278 0.01 . . . . . . A 4 LYS HB3 . 36047 1 30 . 1 . 1 4 4 LYS HG2 H 1 0.535 0.01 . . . . . . A 4 LYS HG2 . 36047 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.398 0.01 . . . . . . A 4 LYS HD2 . 36047 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.069 0.01 . . . . . . A 4 LYS HD3 . 36047 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.751 0.01 . . . . . . A 4 LYS HE2 . 36047 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.751 0.01 . . . . . . A 4 LYS HE3 . 36047 1 35 . 1 . 1 5 5 LYS H H 1 8.828 0.01 . . . . . . A 5 LYS H . 36047 1 36 . 1 . 1 5 5 LYS HA H 1 4.397 0.01 . . . . . . A 5 LYS HA . 36047 1 37 . 1 . 1 5 5 LYS HB2 H 1 1.511 0.01 . . . . . . A 5 LYS HB2 . 36047 1 38 . 1 . 1 5 5 LYS HB3 H 1 1.511 0.01 . . . . . . A 5 LYS HB3 . 36047 1 39 . 1 . 1 5 5 LYS HG2 H 1 0.927 0.01 . . . . . . A 5 LYS HG2 . 36047 1 40 . 1 . 1 5 5 LYS HG3 H 1 0.927 0.01 . . . . . . A 5 LYS HG3 . 36047 1 41 . 1 . 1 5 5 LYS HD2 H 1 1.362 0.01 . . . . . . A 5 LYS HD2 . 36047 1 42 . 1 . 1 5 5 LYS HD3 H 1 1.219 0.01 . . . . . . A 5 LYS HD3 . 36047 1 43 . 1 . 1 5 5 LYS HE2 H 1 2.936 0.01 . . . . . . A 5 LYS HE2 . 36047 1 44 . 1 . 1 5 5 LYS HE3 H 1 2.952 0.01 . . . . . . A 5 LYS HE3 . 36047 1 45 . 1 . 1 6 6 ASP H H 1 8.559 0.01 . . . . . . A 6 ASP H . 36047 1 46 . 1 . 1 6 6 ASP HA H 1 4.864 0.01 . . . . . . A 6 ASP HA . 36047 1 47 . 1 . 1 6 6 ASP HB2 H 1 2.620 0.01 . . . . . . A 6 ASP HB2 . 36047 1 48 . 1 . 1 6 6 ASP HB3 H 1 2.481 0.01 . . . . . . A 6 ASP HB3 . 36047 1 49 . 1 . 1 7 7 THR H H 1 9.078 0.01 . . . . . . A 7 THR H . 36047 1 50 . 1 . 1 7 7 THR HA H 1 5.252 0.01 . . . . . . A 7 THR HA . 36047 1 51 . 1 . 1 7 7 THR HB H 1 4.174 0.01 . . . . . . A 7 THR HB . 36047 1 52 . 1 . 1 7 7 THR HG21 H 1 1.058 0.01 . . . . . . A 7 THR HG21 . 36047 1 53 . 1 . 1 7 7 THR HG22 H 1 1.058 0.01 . . . . . . A 7 THR HG22 . 36047 1 54 . 1 . 1 7 7 THR HG23 H 1 1.058 0.01 . . . . . . A 7 THR HG23 . 36047 1 55 . 1 . 1 8 8 PRO HA H 1 4.528 0.01 . . . . . . A 8 PRO HA . 36047 1 56 . 1 . 1 8 8 PRO HB2 H 1 1.973 0.01 . . . . . . A 8 PRO HB2 . 36047 1 57 . 1 . 1 8 8 PRO HB3 H 1 1.825 0.01 . . . . . . A 8 PRO HB3 . 36047 1 58 . 1 . 1 8 8 PRO HG2 H 1 1.615 0.01 . . . . . . A 8 PRO HG2 . 36047 1 59 . 1 . 1 8 8 PRO HG3 H 1 1.615 0.01 . . . . . . A 8 PRO HG3 . 36047 1 60 . 1 . 1 9 9 TYR H H 1 8.235 0.01 . . . . . . A 9 TYR H . 36047 1 61 . 1 . 1 9 9 TYR HA H 1 4.323 0.01 . . . . . . A 9 TYR HA . 36047 1 62 . 1 . 1 9 9 TYR HB2 H 1 2.966 0.01 . . . . . . A 9 TYR HB2 . 36047 1 63 . 1 . 1 9 9 TYR HB3 H 1 2.389 0.01 . . . . . . A 9 TYR HB3 . 36047 1 64 . 1 . 1 9 9 TYR HD1 H 1 7.034 0.01 . . . . . . A 9 TYR HD1 . 36047 1 65 . 1 . 1 9 9 TYR HD2 H 1 7.034 0.01 . . . . . . A 9 TYR HD2 . 36047 1 66 . 1 . 1 9 9 TYR HE1 H 1 6.640 0.01 . . . . . . A 9 TYR HE1 . 36047 1 67 . 1 . 1 9 9 TYR HE2 H 1 6.640 0.01 . . . . . . A 9 TYR HE2 . 36047 1 68 . 1 . 1 10 10 LYS H H 1 8.016 0.01 . . . . . . A 10 LYS H . 36047 1 69 . 1 . 1 10 10 LYS HA H 1 4.082 0.01 . . . . . . A 10 LYS HA . 36047 1 70 . 1 . 1 10 10 LYS HB2 H 1 1.685 0.01 . . . . . . A 10 LYS HB2 . 36047 1 71 . 1 . 1 10 10 LYS HB3 H 1 1.464 0.01 . . . . . . A 10 LYS HB3 . 36047 1 72 . 1 . 1 10 10 LYS HG2 H 1 1.235 0.01 . . . . . . A 10 LYS HG2 . 36047 1 73 . 1 . 1 10 10 LYS HG3 H 1 1.235 0.01 . . . . . . A 10 LYS HG3 . 36047 1 74 . 1 . 1 10 10 LYS HD2 H 1 1.305 0.01 . . . . . . A 10 LYS HD2 . 36047 1 75 . 1 . 1 10 10 LYS HD3 H 1 1.305 0.01 . . . . . . A 10 LYS HD3 . 36047 1 76 . 1 . 1 10 10 LYS HE2 H 1 2.794 0.01 . . . . . . A 10 LYS HE2 . 36047 1 77 . 1 . 1 10 10 LYS HE3 H 1 2.794 0.01 . . . . . . A 10 LYS HE3 . 36047 1 78 . 1 . 1 11 11 LYS H H 1 6.573 0.01 . . . . . . A 11 LYS H . 36047 1 79 . 1 . 1 11 11 LYS HA H 1 3.907 0.01 . . . . . . A 11 LYS HA . 36047 1 80 . 1 . 1 11 11 LYS HB2 H 1 1.702 0.01 . . . . . . A 11 LYS HB2 . 36047 1 81 . 1 . 1 11 11 LYS HB3 H 1 1.702 0.01 . . . . . . A 11 LYS HB3 . 36047 1 82 . 1 . 1 11 11 LYS HG2 H 1 1.202 0.01 . . . . . . A 11 LYS HG2 . 36047 1 83 . 1 . 1 11 11 LYS HG3 H 1 1.202 0.01 . . . . . . A 11 LYS HG3 . 36047 1 84 . 1 . 1 11 11 LYS HD2 H 1 1.328 0.01 . . . . . . A 11 LYS HD2 . 36047 1 85 . 1 . 1 11 11 LYS HD3 H 1 1.328 0.01 . . . . . . A 11 LYS HD3 . 36047 1 86 . 1 . 1 11 11 LYS HE2 H 1 2.865 0.01 . . . . . . A 11 LYS HE2 . 36047 1 87 . 1 . 1 11 11 LYS HE3 H 1 2.865 0.01 . . . . . . A 11 LYS HE3 . 36047 1 88 . 1 . 1 12 12 ARG H H 1 7.119 0.01 . . . . . . A 12 ARG H . 36047 1 89 . 1 . 1 12 12 ARG HA H 1 4.213 0.01 . . . . . . A 12 ARG HA . 36047 1 90 . 1 . 1 12 12 ARG HB2 H 1 1.712 0.01 . . . . . . A 12 ARG HB2 . 36047 1 91 . 1 . 1 12 12 ARG HB3 H 1 1.653 0.01 . . . . . . A 12 ARG HB3 . 36047 1 92 . 1 . 1 12 12 ARG HG2 H 1 1.318 0.01 . . . . . . A 12 ARG HG2 . 36047 1 93 . 1 . 1 12 12 ARG HG3 H 1 1.318 0.01 . . . . . . A 12 ARG HG3 . 36047 1 94 . 1 . 1 12 12 ARG HD2 H 1 3.060 0.01 . . . . . . A 12 ARG HD2 . 36047 1 95 . 1 . 1 12 12 ARG HD3 H 1 2.986 0.01 . . . . . . A 12 ARG HD3 . 36047 1 96 . 1 . 1 15 15 PRO HA H 1 4.164 0.01 . . . . . . A 15 PRO HA . 36047 1 97 . 1 . 1 15 15 PRO HD2 H 1 3.596 0.01 . . . . . . A 15 PRO HD2 . 36047 1 98 . 1 . 1 15 15 PRO HD3 H 1 3.596 0.01 . . . . . . A 15 PRO HD3 . 36047 1 99 . 1 . 1 16 16 TYR H H 1 7.835 0.01 . . . . . . A 16 TYR H . 36047 1 100 . 1 . 1 16 16 TYR HA H 1 3.935 0.01 . . . . . . A 16 TYR HA . 36047 1 101 . 1 . 1 16 16 TYR HB2 H 1 3.089 0.01 . . . . . . A 16 TYR HB2 . 36047 1 102 . 1 . 1 16 16 TYR HB3 H 1 2.410 0.01 . . . . . . A 16 TYR HB3 . 36047 1 103 . 1 . 1 16 16 TYR HD1 H 1 7.056 0.01 . . . . . . A 16 TYR HD1 . 36047 1 104 . 1 . 1 16 16 TYR HD2 H 1 7.056 0.01 . . . . . . A 16 TYR HD2 . 36047 1 105 . 1 . 1 17 17 LYS H H 1 7.686 0.01 . . . . . . A 17 LYS H . 36047 1 106 . 1 . 1 17 17 LYS HA H 1 4.935 0.01 . . . . . . A 17 LYS HA . 36047 1 107 . 1 . 1 17 17 LYS HB2 H 1 1.947 0.01 . . . . . . A 17 LYS HB2 . 36047 1 108 . 1 . 1 17 17 LYS HB3 H 1 1.792 0.01 . . . . . . A 17 LYS HB3 . 36047 1 109 . 1 . 1 18 18 SER H H 1 8.054 0.01 . . . . . . A 18 SER H . 36047 1 110 . 1 . 1 18 18 SER HA H 1 4.796 0.01 . . . . . . A 18 SER HA . 36047 1 111 . 1 . 1 18 18 SER HB2 H 1 4.654 0.01 . . . . . . A 18 SER HB2 . 36047 1 112 . 1 . 1 18 18 SER HB3 H 1 4.654 0.01 . . . . . . A 18 SER HB3 . 36047 1 113 . 1 . 1 19 19 GLU H H 1 6.720 0.01 . . . . . . A 19 GLU H . 36047 1 114 . 1 . 1 19 19 GLU HA H 1 4.044 0.01 . . . . . . A 19 GLU HA . 36047 1 115 . 1 . 1 19 19 GLU HB2 H 1 2.337 0.01 . . . . . . A 19 GLU HB2 . 36047 1 116 . 1 . 1 19 19 GLU HB3 H 1 2.293 0.01 . . . . . . A 19 GLU HB3 . 36047 1 117 . 1 . 1 19 19 GLU HG2 H 1 1.620 0.01 . . . . . . A 19 GLU HG2 . 36047 1 118 . 1 . 1 19 19 GLU HG3 H 1 1.620 0.01 . . . . . . A 19 GLU HG3 . 36047 1 119 . 1 . 1 20 20 CYS H H 1 7.928 0.01 . . . . . . A 20 CYS H . 36047 1 120 . 1 . 1 20 20 CYS HA H 1 4.801 0.01 . . . . . . A 20 CYS HA . 36047 1 121 . 1 . 1 20 20 CYS HB2 H 1 2.730 0.01 . . . . . . A 20 CYS HB2 . 36047 1 122 . 1 . 1 20 20 CYS HB3 H 1 2.477 0.01 . . . . . . A 20 CYS HB3 . 36047 1 123 . 1 . 1 21 21 LEU H H 1 8.465 0.01 . . . . . . A 21 LEU H . 36047 1 124 . 1 . 1 21 21 LEU HA H 1 3.858 0.01 . . . . . . A 21 LEU HA . 36047 1 125 . 1 . 1 21 21 LEU HB2 H 1 1.775 0.01 . . . . . . A 21 LEU HB2 . 36047 1 126 . 1 . 1 21 21 LEU HB3 H 1 1.730 0.01 . . . . . . A 21 LEU HB3 . 36047 1 127 . 1 . 1 21 21 LEU HG H 1 1.634 0.01 . . . . . . A 21 LEU HG . 36047 1 128 . 1 . 1 21 21 LEU HD11 H 1 0.941 0.01 . . . . . . A 21 LEU HD11 . 36047 1 129 . 1 . 1 21 21 LEU HD12 H 1 0.941 0.01 . . . . . . A 21 LEU HD12 . 36047 1 130 . 1 . 1 21 21 LEU HD13 H 1 0.941 0.01 . . . . . . A 21 LEU HD13 . 36047 1 131 . 1 . 1 21 21 LEU HD21 H 1 0.878 0.01 . . . . . . A 21 LEU HD21 . 36047 1 132 . 1 . 1 21 21 LEU HD22 H 1 0.878 0.01 . . . . . . A 21 LEU HD22 . 36047 1 133 . 1 . 1 21 21 LEU HD23 H 1 0.878 0.01 . . . . . . A 21 LEU HD23 . 36047 1 134 . 1 . 1 22 22 LYS H H 1 6.940 0.01 . . . . . . A 22 LYS H . 36047 1 135 . 1 . 1 22 22 LYS HA H 1 4.033 0.01 . . . . . . A 22 LYS HA . 36047 1 136 . 1 . 1 22 22 LYS HB2 H 1 1.925 0.01 . . . . . . A 22 LYS HB2 . 36047 1 137 . 1 . 1 22 22 LYS HB3 H 1 1.925 0.01 . . . . . . A 22 LYS HB3 . 36047 1 138 . 1 . 1 22 22 LYS HG2 H 1 1.525 0.01 . . . . . . A 22 LYS HG2 . 36047 1 139 . 1 . 1 22 22 LYS HG3 H 1 1.525 0.01 . . . . . . A 22 LYS HG3 . 36047 1 140 . 1 . 1 22 22 LYS HD2 H 1 1.711 0.01 . . . . . . A 22 LYS HD2 . 36047 1 141 . 1 . 1 22 22 LYS HD3 H 1 1.711 0.01 . . . . . . A 22 LYS HD3 . 36047 1 142 . 1 . 1 22 22 LYS HE2 H 1 2.989 0.01 . . . . . . A 22 LYS HE2 . 36047 1 143 . 1 . 1 22 22 LYS HE3 H 1 2.989 0.01 . . . . . . A 22 LYS HE3 . 36047 1 144 . 1 . 1 23 23 ALA H H 1 8.588 0.01 . . . . . . A 23 ALA H . 36047 1 145 . 1 . 1 23 23 ALA HA H 1 4.166 0.01 . . . . . . A 23 ALA HA . 36047 1 146 . 1 . 1 23 23 ALA HB1 H 1 1.621 0.01 . . . . . . A 23 ALA HB1 . 36047 1 147 . 1 . 1 23 23 ALA HB2 H 1 1.621 0.01 . . . . . . A 23 ALA HB2 . 36047 1 148 . 1 . 1 23 23 ALA HB3 H 1 1.621 0.01 . . . . . . A 23 ALA HB3 . 36047 1 149 . 1 . 1 24 24 CYS H H 1 9.035 0.01 . . . . . . A 24 CYS H . 36047 1 150 . 1 . 1 24 24 CYS HA H 1 4.379 0.01 . . . . . . A 24 CYS HA . 36047 1 151 . 1 . 1 24 24 CYS HB2 H 1 3.278 0.01 . . . . . . A 24 CYS HB2 . 36047 1 152 . 1 . 1 24 24 CYS HB3 H 1 2.837 0.01 . . . . . . A 24 CYS HB3 . 36047 1 153 . 1 . 1 25 25 ALA H H 1 7.930 0.01 . . . . . . A 25 ALA H . 36047 1 154 . 1 . 1 25 25 ALA HA H 1 4.575 0.01 . . . . . . A 25 ALA HA . 36047 1 155 . 1 . 1 25 25 ALA HB1 H 1 1.132 0.01 . . . . . . A 25 ALA HB1 . 36047 1 156 . 1 . 1 25 25 ALA HB2 H 1 1.132 0.01 . . . . . . A 25 ALA HB2 . 36047 1 157 . 1 . 1 25 25 ALA HB3 H 1 1.132 0.01 . . . . . . A 25 ALA HB3 . 36047 1 158 . 1 . 1 26 26 THR H H 1 8.728 0.01 . . . . . . A 26 THR H . 36047 1 159 . 1 . 1 26 26 THR HA H 1 4.165 0.01 . . . . . . A 26 THR HA . 36047 1 160 . 1 . 1 26 26 THR HB H 1 3.597 0.01 . . . . . . A 26 THR HB . 36047 1 161 . 1 . 1 26 26 THR HG21 H 1 1.170 0.01 . . . . . . A 26 THR HG21 . 36047 1 162 . 1 . 1 26 26 THR HG22 H 1 1.170 0.01 . . . . . . A 26 THR HG22 . 36047 1 163 . 1 . 1 26 26 THR HG23 H 1 1.170 0.01 . . . . . . A 26 THR HG23 . 36047 1 164 . 1 . 1 27 27 SER H H 1 8.049 0.01 . . . . . . A 27 SER H . 36047 1 165 . 1 . 1 27 27 SER HA H 1 4.294 0.01 . . . . . . A 27 SER HA . 36047 1 166 . 1 . 1 27 27 SER HB2 H 1 3.044 0.01 . . . . . . A 27 SER HB2 . 36047 1 167 . 1 . 1 27 27 SER HB3 H 1 3.044 0.01 . . . . . . A 27 SER HB3 . 36047 1 168 . 1 . 1 28 28 PHE H H 1 7.418 0.01 . . . . . . A 28 PHE H . 36047 1 169 . 1 . 1 28 28 PHE HA H 1 4.709 0.01 . . . . . . A 28 PHE HA . 36047 1 170 . 1 . 1 28 28 PHE HB2 H 1 3.171 0.01 . . . . . . A 28 PHE HB2 . 36047 1 171 . 1 . 1 28 28 PHE HB3 H 1 2.661 0.01 . . . . . . A 28 PHE HB3 . 36047 1 172 . 1 . 1 29 29 THR H H 1 9.079 0.01 . . . . . . A 29 THR H . 36047 1 173 . 1 . 1 29 29 THR HA H 1 5.253 0.01 . . . . . . A 29 THR HA . 36047 1 174 . 1 . 1 30 30 GLY H H 1 7.270 0.01 . . . . . . A 30 GLY H . 36047 1 175 . 1 . 1 30 30 GLY HA2 H 1 4.175 0.01 . . . . . . A 30 GLY HA2 . 36047 1 176 . 1 . 1 30 30 GLY HA3 H 1 4.175 0.01 . . . . . . A 30 GLY HA3 . 36047 1 177 . 1 . 1 31 31 GLY H H 1 7.187 0.01 . . . . . . A 31 GLY H . 36047 1 178 . 1 . 1 31 31 GLY HA2 H 1 4.384 0.01 . . . . . . A 31 GLY HA2 . 36047 1 179 . 1 . 1 31 31 GLY HA3 H 1 4.384 0.01 . . . . . . A 31 GLY HA3 . 36047 1 180 . 1 . 1 32 32 ASP H H 1 8.557 0.01 . . . . . . A 32 ASP H . 36047 1 181 . 1 . 1 33 33 GLU H H 1 9.077 0.01 . . . . . . A 33 GLU H . 36047 1 182 . 1 . 1 33 33 GLU HA H 1 3.789 0.01 . . . . . . A 33 GLU HA . 36047 1 183 . 1 . 1 34 34 SER H H 1 8.534 0.01 . . . . . . A 34 SER H . 36047 1 184 . 1 . 1 34 34 SER HA H 1 4.274 0.01 . . . . . . A 34 SER HA . 36047 1 185 . 1 . 1 34 34 SER HB2 H 1 3.995 0.01 . . . . . . A 34 SER HB2 . 36047 1 186 . 1 . 1 34 34 SER HB3 H 1 3.995 0.01 . . . . . . A 34 SER HB3 . 36047 1 187 . 1 . 1 35 35 ARG H H 1 6.653 0.01 . . . . . . A 35 ARG H . 36047 1 188 . 1 . 1 35 35 ARG HA H 1 4.361 0.01 . . . . . . A 35 ARG HA . 36047 1 189 . 1 . 1 35 35 ARG HB2 H 1 2.693 0.01 . . . . . . A 35 ARG HB2 . 36047 1 190 . 1 . 1 35 35 ARG HB3 H 1 1.769 0.01 . . . . . . A 35 ARG HB3 . 36047 1 191 . 1 . 1 35 35 ARG HG2 H 1 1.566 0.01 . . . . . . A 35 ARG HG2 . 36047 1 192 . 1 . 1 35 35 ARG HG3 H 1 1.486 0.01 . . . . . . A 35 ARG HG3 . 36047 1 193 . 1 . 1 35 35 ARG HD2 H 1 3.276 0.01 . . . . . . A 35 ARG HD2 . 36047 1 194 . 1 . 1 35 35 ARG HD3 H 1 3.181 0.01 . . . . . . A 35 ARG HD3 . 36047 1 195 . 1 . 1 35 35 ARG HE H 1 6.810 0.01 . . . . . . A 35 ARG HE . 36047 1 196 . 1 . 1 36 36 ILE H H 1 7.411 0.01 . . . . . . A 36 ILE H . 36047 1 197 . 1 . 1 36 36 ILE HA H 1 4.426 0.01 . . . . . . A 36 ILE HA . 36047 1 198 . 1 . 1 36 36 ILE HB H 1 2.469 0.01 . . . . . . A 36 ILE HB . 36047 1 199 . 1 . 1 36 36 ILE HG12 H 1 1.361 0.01 . . . . . . A 36 ILE HG12 . 36047 1 200 . 1 . 1 36 36 ILE HG13 H 1 1.361 0.01 . . . . . . A 36 ILE HG13 . 36047 1 201 . 1 . 1 36 36 ILE HG21 H 1 0.835 0.01 . . . . . . A 36 ILE HG21 . 36047 1 202 . 1 . 1 36 36 ILE HG22 H 1 0.835 0.01 . . . . . . A 36 ILE HG22 . 36047 1 203 . 1 . 1 36 36 ILE HG23 H 1 0.835 0.01 . . . . . . A 36 ILE HG23 . 36047 1 204 . 1 . 1 36 36 ILE HD11 H 1 0.626 0.01 . . . . . . A 36 ILE HD11 . 36047 1 205 . 1 . 1 36 36 ILE HD12 H 1 0.626 0.01 . . . . . . A 36 ILE HD12 . 36047 1 206 . 1 . 1 36 36 ILE HD13 H 1 0.626 0.01 . . . . . . A 36 ILE HD13 . 36047 1 207 . 1 . 1 37 37 GLN H H 1 9.085 0.01 . . . . . . A 37 GLN H . 36047 1 208 . 1 . 1 37 37 GLN HA H 1 4.209 0.01 . . . . . . A 37 GLN HA . 36047 1 209 . 1 . 1 37 37 GLN HB2 H 1 1.993 0.01 . . . . . . A 37 GLN HB2 . 36047 1 210 . 1 . 1 37 37 GLN HB3 H 1 1.886 0.01 . . . . . . A 37 GLN HB3 . 36047 1 211 . 1 . 1 37 37 GLN HG2 H 1 2.285 0.01 . . . . . . A 37 GLN HG2 . 36047 1 212 . 1 . 1 37 37 GLN HG3 H 1 2.215 0.01 . . . . . . A 37 GLN HG3 . 36047 1 213 . 1 . 1 38 38 GLU H H 1 7.815 0.01 . . . . . . A 38 GLU H . 36047 1 214 . 1 . 1 38 38 GLU HA H 1 4.466 0.01 . . . . . . A 38 GLU HA . 36047 1 215 . 1 . 1 38 38 GLU HB2 H 1 2.005 0.01 . . . . . . A 38 GLU HB2 . 36047 1 216 . 1 . 1 38 38 GLU HB3 H 1 1.684 0.01 . . . . . . A 38 GLU HB3 . 36047 1 217 . 1 . 1 38 38 GLU HG2 H 1 2.140 0.01 . . . . . . A 38 GLU HG2 . 36047 1 218 . 1 . 1 38 38 GLU HG3 H 1 2.140 0.01 . . . . . . A 38 GLU HG3 . 36047 1 219 . 1 . 1 39 39 GLY H H 1 8.689 0.01 . . . . . . A 39 GLY H . 36047 1 220 . 1 . 1 39 39 GLY HA2 H 1 5.149 0.01 . . . . . . A 39 GLY HA2 . 36047 1 221 . 1 . 1 39 39 GLY HA3 H 1 2.949 0.01 . . . . . . A 39 GLY HA3 . 36047 1 222 . 1 . 1 40 40 LYS H H 1 9.522 0.01 . . . . . . A 40 LYS H . 36047 1 223 . 1 . 1 40 40 LYS HA H 1 4.923 0.01 . . . . . . A 40 LYS HA . 36047 1 224 . 1 . 1 40 40 LYS HB2 H 1 2.019 0.01 . . . . . . A 40 LYS HB2 . 36047 1 225 . 1 . 1 40 40 LYS HB3 H 1 1.870 0.01 . . . . . . A 40 LYS HB3 . 36047 1 226 . 1 . 1 40 40 LYS HG2 H 1 1.491 0.01 . . . . . . A 40 LYS HG2 . 36047 1 227 . 1 . 1 40 40 LYS HG3 H 1 1.455 0.01 . . . . . . A 40 LYS HG3 . 36047 1 228 . 1 . 1 40 40 LYS HD2 H 1 1.761 0.01 . . . . . . A 40 LYS HD2 . 36047 1 229 . 1 . 1 40 40 LYS HD3 H 1 1.761 0.01 . . . . . . A 40 LYS HD3 . 36047 1 230 . 1 . 1 41 41 PRO HA H 1 4.678 0.01 . . . . . . A 41 PRO HA . 36047 1 231 . 1 . 1 41 41 PRO HB2 H 1 2.055 0.01 . . . . . . A 41 PRO HB2 . 36047 1 232 . 1 . 1 41 41 PRO HB3 H 1 2.055 0.01 . . . . . . A 41 PRO HB3 . 36047 1 233 . 1 . 1 41 41 PRO HG2 H 1 1.471 0.01 . . . . . . A 41 PRO HG2 . 36047 1 234 . 1 . 1 41 41 PRO HG3 H 1 1.237 0.01 . . . . . . A 41 PRO HG3 . 36047 1 235 . 1 . 1 41 41 PRO HD2 H 1 3.742 0.01 . . . . . . A 41 PRO HD2 . 36047 1 236 . 1 . 1 41 41 PRO HD3 H 1 3.742 0.01 . . . . . . A 41 PRO HD3 . 36047 1 237 . 1 . 1 42 42 GLY H H 1 8.475 0.01 . . . . . . A 42 GLY H . 36047 1 238 . 1 . 1 42 42 GLY HA2 H 1 3.559 0.01 . . . . . . A 42 GLY HA2 . 36047 1 239 . 1 . 1 42 42 GLY HA3 H 1 4.444 0.01 . . . . . . A 42 GLY HA3 . 36047 1 240 . 1 . 1 43 43 PHE H H 1 8.354 0.01 . . . . . . A 43 PHE H . 36047 1 241 . 1 . 1 43 43 PHE HA H 1 4.599 0.01 . . . . . . A 43 PHE HA . 36047 1 242 . 1 . 1 43 43 PHE HB2 H 1 3.063 0.01 . . . . . . A 43 PHE HB2 . 36047 1 243 . 1 . 1 43 43 PHE HB3 H 1 3.015 0.01 . . . . . . A 43 PHE HB3 . 36047 1 244 . 1 . 1 44 44 PHE H H 1 9.806 0.01 . . . . . . A 44 PHE H . 36047 1 245 . 1 . 1 44 44 PHE HA H 1 4.513 0.01 . . . . . . A 44 PHE HA . 36047 1 246 . 1 . 1 44 44 PHE HB2 H 1 3.230 0.01 . . . . . . A 44 PHE HB2 . 36047 1 247 . 1 . 1 44 44 PHE HB3 H 1 2.509 0.01 . . . . . . A 44 PHE HB3 . 36047 1 248 . 1 . 1 45 45 LYS H H 1 7.613 0.01 . . . . . . A 45 LYS H . 36047 1 249 . 1 . 1 45 45 LYS HA H 1 5.045 0.01 . . . . . . A 45 LYS HA . 36047 1 250 . 1 . 1 45 45 LYS HB2 H 1 1.978 0.01 . . . . . . A 45 LYS HB2 . 36047 1 251 . 1 . 1 45 45 LYS HB3 H 1 1.978 0.01 . . . . . . A 45 LYS HB3 . 36047 1 252 . 1 . 1 45 45 LYS HG2 H 1 1.616 0.01 . . . . . . A 45 LYS HG2 . 36047 1 253 . 1 . 1 45 45 LYS HG3 H 1 1.616 0.01 . . . . . . A 45 LYS HG3 . 36047 1 254 . 1 . 1 45 45 LYS HD2 H 1 0.908 0.01 . . . . . . A 45 LYS HD2 . 36047 1 255 . 1 . 1 45 45 LYS HD3 H 1 0.908 0.01 . . . . . . A 45 LYS HD3 . 36047 1 256 . 1 . 1 46 46 CYS H H 1 8.797 0.01 . . . . . . A 46 CYS H . 36047 1 257 . 1 . 1 46 46 CYS HA H 1 5.093 0.01 . . . . . . A 46 CYS HA . 36047 1 258 . 1 . 1 46 46 CYS HB2 H 1 2.495 0.01 . . . . . . A 46 CYS HB2 . 36047 1 259 . 1 . 1 46 46 CYS HB3 H 1 2.433 0.01 . . . . . . A 46 CYS HB3 . 36047 1 260 . 1 . 1 47 47 THR H H 1 9.288 0.01 . . . . . . A 47 THR H . 36047 1 261 . 1 . 1 47 47 THR HA H 1 4.866 0.01 . . . . . . A 47 THR HA . 36047 1 262 . 1 . 1 47 47 THR HB H 1 3.935 0.01 . . . . . . A 47 THR HB . 36047 1 263 . 1 . 1 47 47 THR HG21 H 1 1.019 0.01 . . . . . . A 47 THR HG21 . 36047 1 264 . 1 . 1 47 47 THR HG22 H 1 1.019 0.01 . . . . . . A 47 THR HG22 . 36047 1 265 . 1 . 1 47 47 THR HG23 H 1 1.019 0.01 . . . . . . A 47 THR HG23 . 36047 1 266 . 1 . 1 48 48 CYS H H 1 9.148 0.01 . . . . . . A 48 CYS H . 36047 1 267 . 1 . 1 48 48 CYS HA H 1 5.288 0.01 . . . . . . A 48 CYS HA . 36047 1 268 . 1 . 1 48 48 CYS HB2 H 1 3.370 0.01 . . . . . . A 48 CYS HB2 . 36047 1 269 . 1 . 1 48 48 CYS HB3 H 1 2.866 0.01 . . . . . . A 48 CYS HB3 . 36047 1 270 . 1 . 1 49 49 TYR H H 1 9.085 0.01 . . . . . . A 49 TYR H . 36047 1 271 . 1 . 1 49 49 TYR HA H 1 5.594 0.01 . . . . . . A 49 TYR HA . 36047 1 272 . 1 . 1 49 49 TYR HB2 H 1 3.072 0.01 . . . . . . A 49 TYR HB2 . 36047 1 273 . 1 . 1 49 49 TYR HB3 H 1 2.641 0.01 . . . . . . A 49 TYR HB3 . 36047 1 274 . 1 . 1 49 49 TYR HD1 H 1 6.655 0.01 . . . . . . A 49 TYR HD1 . 36047 1 275 . 1 . 1 49 49 TYR HD2 H 1 6.655 0.01 . . . . . . A 49 TYR HD2 . 36047 1 276 . 1 . 1 49 49 TYR HE1 H 1 6.572 0.01 . . . . . . A 49 TYR HE1 . 36047 1 277 . 1 . 1 49 49 TYR HE2 H 1 6.572 0.01 . . . . . . A 49 TYR HE2 . 36047 1 278 . 1 . 1 50 50 PHE H H 1 9.199 0.01 . . . . . . A 50 PHE H . 36047 1 279 . 1 . 1 50 50 PHE HA H 1 5.759 0.01 . . . . . . A 50 PHE HA . 36047 1 280 . 1 . 1 50 50 PHE HB2 H 1 3.060 0.01 . . . . . . A 50 PHE HB2 . 36047 1 281 . 1 . 1 50 50 PHE HB3 H 1 2.880 0.01 . . . . . . A 50 PHE HB3 . 36047 1 282 . 1 . 1 51 51 THR H H 1 8.653 0.01 . . . . . . A 51 THR H . 36047 1 283 . 1 . 1 51 51 THR HA H 1 5.161 0.01 . . . . . . A 51 THR HA . 36047 1 284 . 1 . 1 51 51 THR HB H 1 4.350 0.01 . . . . . . A 51 THR HB . 36047 1 285 . 1 . 1 51 51 THR HG21 H 1 1.223 0.01 . . . . . . A 51 THR HG21 . 36047 1 286 . 1 . 1 51 51 THR HG22 H 1 1.223 0.01 . . . . . . A 51 THR HG22 . 36047 1 287 . 1 . 1 51 51 THR HG23 H 1 1.223 0.01 . . . . . . A 51 THR HG23 . 36047 1 288 . 1 . 1 52 52 THR H H 1 8.356 0.01 . . . . . . A 52 THR H . 36047 1 289 . 1 . 1 52 52 THR HA H 1 4.450 0.01 . . . . . . A 52 THR HA . 36047 1 290 . 1 . 1 52 52 THR HB H 1 4.390 0.01 . . . . . . A 52 THR HB . 36047 1 291 . 1 . 1 52 52 THR HG21 H 1 1.223 0.01 . . . . . . A 52 THR HG21 . 36047 1 292 . 1 . 1 52 52 THR HG22 H 1 1.223 0.01 . . . . . . A 52 THR HG22 . 36047 1 293 . 1 . 1 52 52 THR HG23 H 1 1.223 0.01 . . . . . . A 52 THR HG23 . 36047 1 294 . 1 . 1 53 53 GLY H H 1 8.012 0.01 . . . . . . A 53 GLY H . 36047 1 295 . 1 . 1 53 53 GLY HA2 H 1 3.805 0.01 . . . . . . A 53 GLY HA2 . 36047 1 296 . 1 . 1 53 53 GLY HA3 H 1 3.741 0.01 . . . . . . A 53 GLY HA3 . 36047 1 stop_ save_