################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15464 _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 $chemical_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 NOESY' . . . 15464 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.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 GLY HA2 H 1 3.954 0.02 . 1 . . . . 1 GLY HA2 . 15464 1 2 . 1 1 1 1 GLY HA3 H 1 3.954 0.02 . 1 . . . . 1 GLY HA3 . 15464 1 3 . 1 1 2 2 ILE H H 1 8.422 0.02 . 1 . . . . 2 ILE H . 15464 1 4 . 1 1 2 2 ILE HA H 1 3.887 0.02 . 1 . . . . 2 ILE HA . 15464 1 5 . 1 1 2 2 ILE HB H 1 1.261 0.02 . 1 . . . . 2 ILE HB . 15464 1 6 . 1 1 2 2 ILE HD11 H 1 0.638 0.02 . 1 . . . . 2 ILE HD1 . 15464 1 7 . 1 1 2 2 ILE HD12 H 1 0.638 0.02 . 1 . . . . 2 ILE HD1 . 15464 1 8 . 1 1 2 2 ILE HD13 H 1 0.638 0.02 . 1 . . . . 2 ILE HD1 . 15464 1 9 . 1 1 2 2 ILE HG12 H 1 1.170 0.02 . 2 . . . . 2 ILE HG12 . 15464 1 10 . 1 1 2 2 ILE HG21 H 1 0.750 0.02 . 1 . . . . 2 ILE HG2 . 15464 1 11 . 1 1 2 2 ILE HG22 H 1 0.750 0.02 . 1 . . . . 2 ILE HG2 . 15464 1 12 . 1 1 2 2 ILE HG23 H 1 0.750 0.02 . 1 . . . . 2 ILE HG2 . 15464 1 13 . 1 1 3 3 VAL H H 1 8.081 0.02 . 1 . . . . 3 VAL H . 15464 1 14 . 1 1 3 3 VAL HA H 1 3.624 0.02 . 1 . . . . 3 VAL HA . 15464 1 15 . 1 1 3 3 VAL HB H 1 1.929 0.02 . 1 . . . . 3 VAL HB . 15464 1 16 . 1 1 3 3 VAL HG11 H 1 0.922 0.02 . 2 . . . . 3 VAL HG1 . 15464 1 17 . 1 1 3 3 VAL HG12 H 1 0.922 0.02 . 2 . . . . 3 VAL HG1 . 15464 1 18 . 1 1 3 3 VAL HG13 H 1 0.922 0.02 . 2 . . . . 3 VAL HG1 . 15464 1 19 . 1 1 3 3 VAL HG21 H 1 0.876 0.02 . 2 . . . . 3 VAL HG2 . 15464 1 20 . 1 1 3 3 VAL HG22 H 1 0.876 0.02 . 2 . . . . 3 VAL HG2 . 15464 1 21 . 1 1 3 3 VAL HG23 H 1 0.876 0.02 . 2 . . . . 3 VAL HG2 . 15464 1 22 . 1 1 4 4 GLU H H 1 8.147 0.02 . 1 . . . . 4 GLU H . 15464 1 23 . 1 1 4 4 GLU HA H 1 4.164 0.02 . 1 . . . . 4 GLU HA . 15464 1 24 . 1 1 4 4 GLU HB2 H 1 2.072 0.02 . 2 . . . . 4 GLU HB2 . 15464 1 25 . 1 1 4 4 GLU HB3 H 1 2.020 0.02 . 2 . . . . 4 GLU HB3 . 15464 1 26 . 1 1 4 4 GLU HG2 H 1 2.481 0.02 . 2 . . . . 4 GLU HG2 . 15464 1 27 . 1 1 4 4 GLU HG3 H 1 2.378 0.02 . 2 . . . . 4 GLU HG3 . 15464 1 28 . 1 1 5 5 GLN H H 1 8.193 0.02 . 1 . . . . 5 GLN H . 15464 1 29 . 1 1 5 5 GLN HA H 1 4.040 0.02 . 1 . . . . 5 GLN HA . 15464 1 30 . 1 1 5 5 GLN HB2 H 1 2.084 0.02 . 2 . . . . 5 GLN HB2 . 15464 1 31 . 1 1 5 5 GLN HB3 H 1 2.025 0.02 . 2 . . . . 5 GLN HB3 . 15464 1 32 . 1 1 5 5 GLN HE21 H 1 6.751 0.02 . 2 . . . . 5 GLN HE21 . 15464 1 33 . 1 1 5 5 GLN HE22 H 1 7.441 0.02 . 2 . . . . 5 GLN HE22 . 15464 1 34 . 1 1 5 5 GLN HG2 H 1 2.426 0.02 . 2 . . . . 5 GLN HG2 . 15464 1 35 . 1 1 5 5 GLN HG3 H 1 2.361 0.02 . 2 . . . . 5 GLN HG3 . 15464 1 36 . 1 1 6 6 CYS H H 1 8.172 0.02 . 1 . . . . 6 CYS H . 15464 1 37 . 1 1 6 6 CYS HA H 1 4.844 0.02 . 1 . . . . 6 CYS HA . 15464 1 38 . 1 1 6 6 CYS HB2 H 1 2.867 0.02 . 1 . . . . 6 CYS HB2 . 15464 1 39 . 1 1 6 6 CYS HB3 H 1 3.249 0.02 . 1 . . . . 6 CYS HB3 . 15464 1 40 . 1 1 7 7 CYS H H 1 8.245 0.02 . 1 . . . . 7 CYS H . 15464 1 41 . 1 1 7 7 CYS HA H 1 4.798 0.02 . 1 . . . . 7 CYS HA . 15464 1 42 . 1 1 7 7 CYS HB2 H 1 3.689 0.02 . 1 . . . . 7 CYS HB2 . 15464 1 43 . 1 1 7 7 CYS HB3 H 1 3.307 0.02 . 1 . . . . 7 CYS HB3 . 15464 1 44 . 1 1 8 8 THR H H 1 8.072 0.02 . 1 . . . . 8 THR H . 15464 1 45 . 1 1 8 8 THR HA H 1 4.062 0.02 . 1 . . . . 8 THR HA . 15464 1 46 . 1 1 8 8 THR HB H 1 4.371 0.02 . 1 . . . . 8 THR HB . 15464 1 47 . 1 1 8 8 THR HG21 H 1 1.211 0.02 . 1 . . . . 8 THR HG2 . 15464 1 48 . 1 1 8 8 THR HG22 H 1 1.211 0.02 . 1 . . . . 8 THR HG2 . 15464 1 49 . 1 1 8 8 THR HG23 H 1 1.211 0.02 . 1 . . . . 8 THR HG2 . 15464 1 50 . 1 1 9 9 SER H H 1 7.333 0.02 . 1 . . . . 9 SER H . 15464 1 51 . 1 1 9 9 SER HA H 1 4.682 0.02 . 1 . . . . 9 SER HA . 15464 1 52 . 1 1 9 9 SER HB2 H 1 3.993 0.02 . 2 . . . . 9 SER HB2 . 15464 1 53 . 1 1 9 9 SER HB3 H 1 3.840 0.02 . 2 . . . . 9 SER HB3 . 15464 1 54 . 1 1 10 10 ILE H H 1 7.747 0.02 . 1 . . . . 10 ILE H . 15464 1 55 . 1 1 10 10 ILE HA H 1 4.423 0.02 . 1 . . . . 10 ILE HA . 15464 1 56 . 1 1 10 10 ILE HB H 1 1.563 0.02 . 1 . . . . 10 ILE HB . 15464 1 57 . 1 1 10 10 ILE HD11 H 1 0.588 0.02 . 1 . . . . 10 ILE HD1 . 15464 1 58 . 1 1 10 10 ILE HD12 H 1 0.588 0.02 . 1 . . . . 10 ILE HD1 . 15464 1 59 . 1 1 10 10 ILE HD13 H 1 0.588 0.02 . 1 . . . . 10 ILE HD1 . 15464 1 60 . 1 1 10 10 ILE HG12 H 1 1.168 0.02 . 2 . . . . 10 ILE HG12 . 15464 1 61 . 1 1 10 10 ILE HG13 H 1 0.588 0.02 . 2 . . . . 10 ILE HG13 . 15464 1 62 . 1 1 10 10 ILE HG21 H 1 0.671 0.02 . 1 . . . . 10 ILE HG2 . 15464 1 63 . 1 1 10 10 ILE HG22 H 1 0.671 0.02 . 1 . . . . 10 ILE HG2 . 15464 1 64 . 1 1 10 10 ILE HG23 H 1 0.671 0.02 . 1 . . . . 10 ILE HG2 . 15464 1 65 . 1 1 11 11 CYS H H 1 9.358 0.02 . 1 . . . . 11 CYS H . 15464 1 66 . 1 1 11 11 CYS HA H 1 5.025 0.02 . 1 . . . . 11 CYS HA . 15464 1 67 . 1 1 11 11 CYS HB2 H 1 3.278 0.02 . 2 . . . . 11 CYS HB2 . 15464 1 68 . 1 1 11 11 CYS HB3 H 1 3.068 0.02 . 2 . . . . 11 CYS HB3 . 15464 1 69 . 1 1 12 12 SER H H 1 8.543 0.02 . 1 . . . . 12 SER H . 15464 1 70 . 1 1 12 12 SER HA H 1 4.579 0.02 . 1 . . . . 12 SER HA . 15464 1 71 . 1 1 12 12 SER HB2 H 1 4.262 0.02 . 1 . . . . 12 SER HB2 . 15464 1 72 . 1 1 12 12 SER HB3 H 1 3.944 0.02 . 1 . . . . 12 SER HB3 . 15464 1 73 . 1 1 13 13 LEU H H 1 8.574 0.02 . 1 . . . . 13 LEU H . 15464 1 74 . 1 1 13 13 LEU HA H 1 3.951 0.02 . 1 . . . . 13 LEU HA . 15464 1 75 . 1 1 13 13 LEU HB2 H 1 1.525 0.02 . 2 . . . . 13 LEU HB2 . 15464 1 76 . 1 1 13 13 LEU HB3 H 1 1.426 0.02 . 2 . . . . 13 LEU HB3 . 15464 1 77 . 1 1 13 13 LEU HD11 H 1 0.872 0.02 . 1 . . . . 13 LEU HD1 . 15464 1 78 . 1 1 13 13 LEU HD12 H 1 0.872 0.02 . 1 . . . . 13 LEU HD1 . 15464 1 79 . 1 1 13 13 LEU HD13 H 1 0.872 0.02 . 1 . . . . 13 LEU HD1 . 15464 1 80 . 1 1 13 13 LEU HD21 H 1 0.799 0.02 . 1 . . . . 13 LEU HD2 . 15464 1 81 . 1 1 13 13 LEU HD22 H 1 0.799 0.02 . 1 . . . . 13 LEU HD2 . 15464 1 82 . 1 1 13 13 LEU HD23 H 1 0.799 0.02 . 1 . . . . 13 LEU HD2 . 15464 1 83 . 1 1 13 13 LEU HG H 1 1.530 0.02 . 1 . . . . 13 LEU HG . 15464 1 84 . 1 1 14 14 TYR H H 1 7.432 0.02 . 1 . . . . 14 TYR H . 15464 1 85 . 1 1 14 14 TYR HA H 1 4.144 0.02 . 1 . . . . 14 TYR HA . 15464 1 86 . 1 1 14 14 TYR HB2 H 1 2.975 0.02 . 2 . . . . 14 TYR HB2 . 15464 1 87 . 1 1 14 14 TYR HB3 H 1 2.904 0.02 . 2 . . . . 14 TYR HB3 . 15464 1 88 . 1 1 14 14 TYR HD1 H 1 7.068 0.02 . 3 . . . . 14 TYR HD1 . 15464 1 89 . 1 1 14 14 TYR HE1 H 1 6.827 0.02 . 3 . . . . 14 TYR HE1 . 15464 1 90 . 1 1 15 15 GLN H H 1 7.506 0.02 . 1 . . . . 15 GLN H . 15464 1 91 . 1 1 15 15 GLN HA H 1 3.974 0.02 . 1 . . . . 15 GLN HA . 15464 1 92 . 1 1 15 15 GLN HB2 H 1 2.347 0.02 . 2 . . . . 15 GLN HB2 . 15464 1 93 . 1 1 15 15 GLN HB3 H 1 2.005 0.02 . 2 . . . . 15 GLN HB3 . 15464 1 94 . 1 1 15 15 GLN HE21 H 1 6.856 0.02 . 2 . . . . 15 GLN HE21 . 15464 1 95 . 1 1 15 15 GLN HE22 H 1 7.382 0.02 . 2 . . . . 15 GLN HE22 . 15464 1 96 . 1 1 15 15 GLN HG2 H 1 2.419 0.02 . 2 . . . . 15 GLN HG2 . 15464 1 97 . 1 1 15 15 GLN HG3 H 1 2.351 0.02 . 2 . . . . 15 GLN HG3 . 15464 1 98 . 1 1 16 16 LEU H H 1 7.966 0.02 . 1 . . . . 16 LEU H . 15464 1 99 . 1 1 16 16 LEU HA H 1 4.133 0.02 . 1 . . . . 16 LEU HA . 15464 1 100 . 1 1 16 16 LEU HB2 H 1 1.879 0.02 . 2 . . . . 16 LEU HB2 . 15464 1 101 . 1 1 16 16 LEU HB3 H 1 1.591 0.02 . 2 . . . . 16 LEU HB3 . 15464 1 102 . 1 1 16 16 LEU HD11 H 1 0.811 0.02 . 1 . . . . 16 LEU HD1 . 15464 1 103 . 1 1 16 16 LEU HD12 H 1 0.811 0.02 . 1 . . . . 16 LEU HD1 . 15464 1 104 . 1 1 16 16 LEU HD13 H 1 0.811 0.02 . 1 . . . . 16 LEU HD1 . 15464 1 105 . 1 1 16 16 LEU HD21 H 1 0.772 0.02 . 1 . . . . 16 LEU HD2 . 15464 1 106 . 1 1 16 16 LEU HD22 H 1 0.772 0.02 . 1 . . . . 16 LEU HD2 . 15464 1 107 . 1 1 16 16 LEU HD23 H 1 0.772 0.02 . 1 . . . . 16 LEU HD2 . 15464 1 108 . 1 1 16 16 LEU HG H 1 1.722 0.02 . 1 . . . . 16 LEU HG . 15464 1 109 . 1 1 17 17 GLU H H 1 7.985 0.02 . 1 . . . . 17 GLU H . 15464 1 110 . 1 1 17 17 GLU HA H 1 4.143 0.02 . 1 . . . . 17 GLU HA . 15464 1 111 . 1 1 17 17 GLU HB2 H 1 2.075 0.02 . 2 . . . . 17 GLU HB2 . 15464 1 112 . 1 1 17 17 GLU HB3 H 1 2.017 0.02 . 2 . . . . 17 GLU HB3 . 15464 1 113 . 1 1 17 17 GLU HG2 H 1 2.544 0.02 . 2 . . . . 17 GLU HG2 . 15464 1 114 . 1 1 17 17 GLU HG3 H 1 2.347 0.02 . 2 . . . . 17 GLU HG3 . 15464 1 115 . 1 1 18 18 ASN H H 1 7.418 0.02 . 1 . . . . 18 ASN H . 15464 1 116 . 1 1 18 18 ASN HA H 1 4.436 0.02 . 1 . . . . 18 ASN HA . 15464 1 117 . 1 1 18 18 ASN HB2 H 1 2.577 0.02 . 2 . . . . 18 ASN HB2 . 15464 1 118 . 1 1 18 18 ASN HB3 H 1 2.499 0.02 . 2 . . . . 18 ASN HB3 . 15464 1 119 . 1 1 18 18 ASN HD21 H 1 6.381 0.02 . 2 . . . . 18 ASN HD21 . 15464 1 120 . 1 1 18 18 ASN HD22 H 1 7.111 0.02 . 2 . . . . 18 ASN HD22 . 15464 1 121 . 1 1 19 19 TYR H H 1 7.862 0.02 . 1 . . . . 19 TYR H . 15464 1 122 . 1 1 19 19 TYR HA H 1 4.426 0.02 . 1 . . . . 19 TYR HA . 15464 1 123 . 1 1 19 19 TYR HB2 H 1 2.944 0.02 . 1 . . . . 19 TYR HB2 . 15464 1 124 . 1 1 19 19 TYR HB3 H 1 3.301 0.02 . 1 . . . . 19 TYR HB3 . 15464 1 125 . 1 1 19 19 TYR HD1 H 1 7.284 0.02 . 3 . . . . 19 TYR HD1 . 15464 1 126 . 1 1 19 19 TYR HE1 H 1 6.738 0.02 . 3 . . . . 19 TYR HE1 . 15464 1 127 . 1 1 20 20 CYS H H 1 7.393 0.02 . 1 . . . . 20 CYS H . 15464 1 128 . 1 1 20 20 CYS HA H 1 4.736 0.02 . 1 . . . . 20 CYS HA . 15464 1 129 . 1 1 20 20 CYS HB2 H 1 3.209 0.02 . 2 . . . . 20 CYS HB2 . 15464 1 130 . 1 1 20 20 CYS HB3 H 1 2.813 0.02 . 2 . . . . 20 CYS HB3 . 15464 1 131 . 1 1 21 21 ASN H H 1 7.943 0.02 . 1 . . . . 21 ASN H . 15464 1 132 . 1 1 21 21 ASN HA H 1 4.602 0.02 . 1 . . . . 21 ASN HA . 15464 1 133 . 1 1 21 21 ASN HB2 H 1 2.793 0.02 . 2 . . . . 21 ASN HB2 . 15464 1 134 . 1 1 21 21 ASN HB3 H 1 2.682 0.02 . 2 . . . . 21 ASN HB3 . 15464 1 135 . 1 1 21 21 ASN HD21 H 1 6.564 0.02 . 2 . . . . 21 ASN HD21 . 15464 1 136 . 1 1 21 21 ASN HD22 H 1 7.386 0.02 . 2 . . . . 21 ASN HD22 . 15464 1 137 . 2 2 1 1 PHE HA H 1 4.270 0.02 . 1 . . . . 1 PHE HA . 15464 1 138 . 2 2 1 1 PHE HB2 H 1 3.193 0.02 . 2 . . . . 1 PHE HB2 . 15464 1 139 . 2 2 1 1 PHE HB3 H 1 3.141 0.02 . 2 . . . . 1 PHE HB3 . 15464 1 140 . 2 2 1 1 PHE HD1 H 1 7.262 0.02 . 3 . . . . 1 PHE HD1 . 15464 1 141 . 2 2 1 1 PHE HE1 H 1 7.383 0.02 . 3 . . . . 1 PHE HE1 . 15464 1 142 . 2 2 2 2 VAL H H 1 8.083 0.02 . 1 . . . . 2 VAL H . 15464 1 143 . 2 2 2 2 VAL HA H 1 4.100 0.02 . 1 . . . . 2 VAL HA . 15464 1 144 . 2 2 2 2 VAL HB H 1 1.959 0.02 . 1 . . . . 2 VAL HB . 15464 1 145 . 2 2 2 2 VAL HG11 H 1 0.876 0.02 . 1 . . . . 2 VAL HG1 . 15464 1 146 . 2 2 2 2 VAL HG12 H 1 0.876 0.02 . 1 . . . . 2 VAL HG1 . 15464 1 147 . 2 2 2 2 VAL HG13 H 1 0.876 0.02 . 1 . . . . 2 VAL HG1 . 15464 1 148 . 2 2 2 2 VAL HG21 H 1 0.876 0.02 . 1 . . . . 2 VAL HG2 . 15464 1 149 . 2 2 2 2 VAL HG22 H 1 0.876 0.02 . 1 . . . . 2 VAL HG2 . 15464 1 150 . 2 2 2 2 VAL HG23 H 1 0.876 0.02 . 1 . . . . 2 VAL HG2 . 15464 1 151 . 2 2 3 3 ASN H H 1 8.239 0.02 . 1 . . . . 3 ASN H . 15464 1 152 . 2 2 3 3 ASN HA H 1 4.638 0.02 . 1 . . . . 3 ASN HA . 15464 1 153 . 2 2 3 3 ASN HB2 H 1 2.763 0.02 . 2 . . . . 3 ASN HB2 . 15464 1 154 . 2 2 3 3 ASN HB3 H 1 2.700 0.02 . 2 . . . . 3 ASN HB3 . 15464 1 155 . 2 2 3 3 ASN HD21 H 1 6.760 0.02 . 2 . . . . 3 ASN HD21 . 15464 1 156 . 2 2 3 3 ASN HD22 H 1 7.445 0.02 . 2 . . . . 3 ASN HD22 . 15464 1 157 . 2 2 4 4 GLN H H 1 8.181 0.02 . 1 . . . . 4 GLN H . 15464 1 158 . 2 2 4 4 GLN HA H 1 4.373 0.02 . 1 . . . . 4 GLN HA . 15464 1 159 . 2 2 4 4 GLN HB2 H 1 2.088 0.02 . 2 . . . . 4 GLN HB2 . 15464 1 160 . 2 2 4 4 GLN HB3 H 1 1.818 0.02 . 2 . . . . 4 GLN HB3 . 15464 1 161 . 2 2 4 4 GLN HE21 H 1 6.619 0.02 . 2 . . . . 4 GLN HE21 . 15464 1 162 . 2 2 4 4 GLN HE22 H 1 7.314 0.02 . 2 . . . . 4 GLN HE22 . 15464 1 163 . 2 2 4 4 GLN HG2 H 1 2.231 0.02 . 2 . . . . 4 GLN HG2 . 15464 1 164 . 2 2 4 4 GLN HG3 H 1 2.190 0.02 . 2 . . . . 4 GLN HG3 . 15464 1 165 . 2 2 5 5 HIS H H 1 8.379 0.02 . 1 . . . . 5 HIS H . 15464 1 166 . 2 2 5 5 HIS HA H 1 4.461 0.02 . 1 . . . . 5 HIS HA . 15464 1 167 . 2 2 5 5 HIS HB2 H 1 3.233 0.02 . 1 . . . . 5 HIS HB2 . 15464 1 168 . 2 2 5 5 HIS HB3 H 1 3.528 0.02 . 1 . . . . 5 HIS HB3 . 15464 1 169 . 2 2 5 5 HIS HD1 H 1 7.360 0.02 . 1 . . . . 5 HIS HD1 . 15464 1 170 . 2 2 5 5 HIS HD2 H 1 7.360 0.02 . 1 . . . . 5 HIS HD2 . 15464 1 171 . 2 2 5 5 HIS HE1 H 1 8.496 0.02 . 1 . . . . 5 HIS HE1 . 15464 1 172 . 2 2 6 6 LEU H H 1 8.754 0.02 . 1 . . . . 6 LEU H . 15464 1 173 . 2 2 6 6 LEU HA H 1 4.454 0.02 . 1 . . . . 6 LEU HA . 15464 1 174 . 2 2 6 6 LEU HB2 H 1 1.688 0.02 . 1 . . . . 6 LEU HB2 . 15464 1 175 . 2 2 6 6 LEU HB3 H 1 1.006 0.02 . 1 . . . . 6 LEU HB3 . 15464 1 176 . 2 2 6 6 LEU HD11 H 1 0.848 0.02 . 2 . . . . 6 LEU HD1 . 15464 1 177 . 2 2 6 6 LEU HD12 H 1 0.848 0.02 . 2 . . . . 6 LEU HD1 . 15464 1 178 . 2 2 6 6 LEU HD13 H 1 0.848 0.02 . 2 . . . . 6 LEU HD1 . 15464 1 179 . 2 2 6 6 LEU HD21 H 1 0.740 0.02 . 2 . . . . 6 LEU HD2 . 15464 1 180 . 2 2 6 6 LEU HD22 H 1 0.740 0.02 . 2 . . . . 6 LEU HD2 . 15464 1 181 . 2 2 6 6 LEU HD23 H 1 0.740 0.02 . 2 . . . . 6 LEU HD2 . 15464 1 182 . 2 2 6 6 LEU HG H 1 1.551 0.02 . 1 . . . . 6 LEU HG . 15464 1 183 . 2 2 7 7 CYS H H 1 8.153 0.02 . 1 . . . . 7 CYS H . 15464 1 184 . 2 2 7 7 CYS HA H 1 4.869 0.02 . 1 . . . . 7 CYS HA . 15464 1 185 . 2 2 7 7 CYS HB2 H 1 3.186 0.02 . 1 . . . . 7 CYS HB2 . 15464 1 186 . 2 2 7 7 CYS HB3 H 1 2.957 0.02 . 1 . . . . 7 CYS HB3 . 15464 1 187 . 2 2 8 8 GLY H H 1 8.852 0.02 . 1 . . . . 8 GLY H . 15464 1 188 . 2 2 8 8 GLY HA2 H 1 3.967 0.02 . 2 . . . . 8 GLY HA2 . 15464 1 189 . 2 2 8 8 GLY HA3 H 1 3.783 0.02 . 2 . . . . 8 GLY HA3 . 15464 1 190 . 2 2 9 9 SER H H 1 8.829 0.02 . 1 . . . . 9 SER H . 15464 1 191 . 2 2 9 9 SER HA H 1 4.075 0.02 . 1 . . . . 9 SER HA . 15464 1 192 . 2 2 9 9 SER HB2 H 1 3.844 0.02 . 1 . . . . 9 SER HB2 . 15464 1 193 . 2 2 9 9 SER HB3 H 1 3.844 0.02 . 1 . . . . 9 SER HB3 . 15464 1 194 . 2 2 10 10 HIS H H 1 7.937 0.02 . 1 . . . . 10 HIS H . 15464 1 195 . 2 2 10 10 HIS HA H 1 4.490 0.02 . 1 . . . . 10 HIS HA . 15464 1 196 . 2 2 10 10 HIS HB2 H 1 3.497 0.02 . 1 . . . . 10 HIS HB2 . 15464 1 197 . 2 2 10 10 HIS HB3 H 1 3.262 0.02 . 1 . . . . 10 HIS HB3 . 15464 1 198 . 2 2 10 10 HIS HD1 H 1 7.422 0.02 . 1 . . . . 10 HIS HD1 . 15464 1 199 . 2 2 10 10 HIS HD2 H 1 7.422 0.02 . 1 . . . . 10 HIS HD2 . 15464 1 200 . 2 2 10 10 HIS HE1 H 1 8.626 0.02 . 1 . . . . 10 HIS HE1 . 15464 1 201 . 2 2 11 11 LEU H H 1 7.126 0.02 . 1 . . . . 11 LEU H . 15464 1 202 . 2 2 11 11 LEU HA H 1 3.992 0.02 . 1 . . . . 11 LEU HA . 15464 1 203 . 2 2 11 11 LEU HB2 H 1 1.852 0.02 . 2 . . . . 11 LEU HB2 . 15464 1 204 . 2 2 11 11 LEU HB3 H 1 1.241 0.02 . 2 . . . . 11 LEU HB3 . 15464 1 205 . 2 2 11 11 LEU HD11 H 1 0.803 0.02 . 2 . . . . 11 LEU HD1 . 15464 1 206 . 2 2 11 11 LEU HD12 H 1 0.803 0.02 . 2 . . . . 11 LEU HD1 . 15464 1 207 . 2 2 11 11 LEU HD13 H 1 0.803 0.02 . 2 . . . . 11 LEU HD1 . 15464 1 208 . 2 2 11 11 LEU HD21 H 1 0.752 0.02 . 2 . . . . 11 LEU HD2 . 15464 1 209 . 2 2 11 11 LEU HD22 H 1 0.752 0.02 . 2 . . . . 11 LEU HD2 . 15464 1 210 . 2 2 11 11 LEU HD23 H 1 0.752 0.02 . 2 . . . . 11 LEU HD2 . 15464 1 211 . 2 2 11 11 LEU HG H 1 1.374 0.02 . 1 . . . . 11 LEU HG . 15464 1 212 . 2 2 12 12 VAL H H 1 7.284 0.02 . 1 . . . . 12 VAL H . 15464 1 213 . 2 2 12 12 VAL HA H 1 3.392 0.02 . 1 . . . . 12 VAL HA . 15464 1 214 . 2 2 12 12 VAL HB H 1 2.054 0.02 . 1 . . . . 12 VAL HB . 15464 1 215 . 2 2 12 12 VAL HG11 H 1 0.960 0.02 . 2 . . . . 12 VAL HG1 . 15464 1 216 . 2 2 12 12 VAL HG12 H 1 0.960 0.02 . 2 . . . . 12 VAL HG1 . 15464 1 217 . 2 2 12 12 VAL HG13 H 1 0.960 0.02 . 2 . . . . 12 VAL HG1 . 15464 1 218 . 2 2 12 12 VAL HG21 H 1 0.923 0.02 . 2 . . . . 12 VAL HG2 . 15464 1 219 . 2 2 12 12 VAL HG22 H 1 0.923 0.02 . 2 . . . . 12 VAL HG2 . 15464 1 220 . 2 2 12 12 VAL HG23 H 1 0.923 0.02 . 2 . . . . 12 VAL HG2 . 15464 1 221 . 2 2 13 13 GLU H H 1 7.921 0.02 . 1 . . . . 13 GLU H . 15464 1 222 . 2 2 13 13 GLU HA H 1 4.053 0.02 . 1 . . . . 13 GLU HA . 15464 1 223 . 2 2 13 13 GLU HB2 H 1 2.139 0.02 . 2 . . . . 13 GLU HB2 . 15464 1 224 . 2 2 13 13 GLU HB3 H 1 2.070 0.02 . 2 . . . . 13 GLU HB3 . 15464 1 225 . 2 2 13 13 GLU HG2 H 1 2.516 0.02 . 1 . . . . 13 GLU HG2 . 15464 1 226 . 2 2 13 13 GLU HG3 H 1 2.516 0.02 . 1 . . . . 13 GLU HG3 . 15464 1 227 . 2 2 14 14 ALA H H 1 7.755 0.02 . 1 . . . . 14 ALA H . 15464 1 228 . 2 2 14 14 ALA HA H 1 4.055 0.02 . 1 . . . . 14 ALA HA . 15464 1 229 . 2 2 14 14 ALA HB1 H 1 1.446 0.02 . 1 . . . . 14 ALA HB . 15464 1 230 . 2 2 14 14 ALA HB2 H 1 1.446 0.02 . 1 . . . . 14 ALA HB . 15464 1 231 . 2 2 14 14 ALA HB3 H 1 1.446 0.02 . 1 . . . . 14 ALA HB . 15464 1 232 . 2 2 15 15 LEU H H 1 8.072 0.02 . 1 . . . . 15 LEU H . 15464 1 233 . 2 2 15 15 LEU HA H 1 3.915 0.02 . 1 . . . . 15 LEU HA . 15464 1 234 . 2 2 15 15 LEU HB2 H 1 1.528 0.02 . 2 . . . . 15 LEU HB2 . 15464 1 235 . 2 2 15 15 LEU HB3 H 1 1.140 0.02 . 2 . . . . 15 LEU HB3 . 15464 1 236 . 2 2 15 15 LEU HD11 H 1 0.702 0.02 . 2 . . . . 15 LEU HD1 . 15464 1 237 . 2 2 15 15 LEU HD12 H 1 0.702 0.02 . 2 . . . . 15 LEU HD1 . 15464 1 238 . 2 2 15 15 LEU HD13 H 1 0.702 0.02 . 2 . . . . 15 LEU HD1 . 15464 1 239 . 2 2 15 15 LEU HD21 H 1 0.589 0.02 . 2 . . . . 15 LEU HD2 . 15464 1 240 . 2 2 15 15 LEU HD22 H 1 0.589 0.02 . 2 . . . . 15 LEU HD2 . 15464 1 241 . 2 2 15 15 LEU HD23 H 1 0.589 0.02 . 2 . . . . 15 LEU HD2 . 15464 1 242 . 2 2 15 15 LEU HG H 1 1.527 0.02 . 1 . . . . 15 LEU HG . 15464 1 243 . 2 2 16 16 TYR H H 1 8.149 0.02 . 1 . . . . 16 TYR H . 15464 1 244 . 2 2 16 16 TYR HA H 1 4.187 0.02 . 1 . . . . 16 TYR HA . 15464 1 245 . 2 2 16 16 TYR HB2 H 1 3.109 0.02 . 2 . . . . 16 TYR HB2 . 15464 1 246 . 2 2 16 16 TYR HB3 H 1 3.109 0.02 . 2 . . . . 16 TYR HB3 . 15464 1 247 . 2 2 16 16 TYR HD1 H 1 7.100 0.02 . 3 . . . . 16 TYR HD1 . 15464 1 248 . 2 2 16 16 TYR HE1 H 1 6.742 0.02 . 3 . . . . 16 TYR HE1 . 15464 1 249 . 2 2 17 17 LEU H H 1 7.918 0.02 . 1 . . . . 17 LEU H . 15464 1 250 . 2 2 17 17 LEU HA H 1 4.054 0.02 . 1 . . . . 17 LEU HA . 15464 1 251 . 2 2 17 17 LEU HB2 H 1 1.887 0.02 . 2 . . . . 17 LEU HB2 . 15464 1 252 . 2 2 17 17 LEU HB3 H 1 1.618 0.02 . 2 . . . . 17 LEU HB3 . 15464 1 253 . 2 2 17 17 LEU HD11 H 1 0.938 0.02 . 2 . . . . 17 LEU HD1 . 15464 1 254 . 2 2 17 17 LEU HD12 H 1 0.938 0.02 . 2 . . . . 17 LEU HD1 . 15464 1 255 . 2 2 17 17 LEU HD13 H 1 0.938 0.02 . 2 . . . . 17 LEU HD1 . 15464 1 256 . 2 2 17 17 LEU HD21 H 1 0.916 0.02 . 2 . . . . 17 LEU HD2 . 15464 1 257 . 2 2 17 17 LEU HD22 H 1 0.916 0.02 . 2 . . . . 17 LEU HD2 . 15464 1 258 . 2 2 17 17 LEU HD23 H 1 0.916 0.02 . 2 . . . . 17 LEU HD2 . 15464 1 259 . 2 2 17 17 LEU HG H 1 1.868 0.02 . 1 . . . . 17 LEU HG . 15464 1 260 . 2 2 18 18 VAL H H 1 8.414 0.02 . 1 . . . . 18 VAL H . 15464 1 261 . 2 2 18 18 VAL HA H 1 3.823 0.02 . 1 . . . . 18 VAL HA . 15464 1 262 . 2 2 18 18 VAL HB H 1 2.093 0.02 . 1 . . . . 18 VAL HB . 15464 1 263 . 2 2 18 18 VAL HG11 H 1 1.012 0.02 . 2 . . . . 18 VAL HG1 . 15464 1 264 . 2 2 18 18 VAL HG12 H 1 1.012 0.02 . 2 . . . . 18 VAL HG1 . 15464 1 265 . 2 2 18 18 VAL HG13 H 1 1.012 0.02 . 2 . . . . 18 VAL HG1 . 15464 1 266 . 2 2 18 18 VAL HG21 H 1 0.876 0.02 . 2 . . . . 18 VAL HG2 . 15464 1 267 . 2 2 18 18 VAL HG22 H 1 0.876 0.02 . 2 . . . . 18 VAL HG2 . 15464 1 268 . 2 2 18 18 VAL HG23 H 1 0.876 0.02 . 2 . . . . 18 VAL HG2 . 15464 1 269 . 2 2 19 19 CYS H H 1 8.606 0.02 . 1 . . . . 19 CYS H . 15464 1 270 . 2 2 19 19 CYS HA H 1 4.718 0.02 . 1 . . . . 19 CYS HA . 15464 1 271 . 2 2 19 19 CYS HB2 H 1 2.908 0.02 . 1 . . . . 19 CYS HB2 . 15464 1 272 . 2 2 19 19 CYS HB3 H 1 3.207 0.02 . 1 . . . . 19 CYS HB3 . 15464 1 273 . 2 2 20 20 GLY H H 1 7.807 0.02 . 1 . . . . 20 GLY H . 15464 1 274 . 2 2 20 20 GLY HA2 H 1 3.877 0.02 . 1 . . . . 20 GLY HA2 . 15464 1 275 . 2 2 20 20 GLY HA3 H 1 3.877 0.02 . 1 . . . . 20 GLY HA3 . 15464 1 276 . 2 2 21 21 GLU H H 1 8.147 0.02 . 1 . . . . 21 GLU H . 15464 1 277 . 2 2 21 21 GLU HA H 1 4.216 0.02 . 1 . . . . 21 GLU HA . 15464 1 278 . 2 2 21 21 GLU HB2 H 1 2.159 0.02 . 2 . . . . 21 GLU HB2 . 15464 1 279 . 2 2 21 21 GLU HB3 H 1 2.070 0.02 . 2 . . . . 21 GLU HB3 . 15464 1 280 . 2 2 21 21 GLU HG2 H 1 2.470 0.02 . 1 . . . . 21 GLU HG2 . 15464 1 281 . 2 2 21 21 GLU HG3 H 1 2.470 0.02 . 1 . . . . 21 GLU HG3 . 15464 1 282 . 2 2 22 22 ARG H H 1 7.835 0.02 . 1 . . . . 22 ARG H . 15464 1 283 . 2 2 22 22 ARG HA H 1 4.190 0.02 . 1 . . . . 22 ARG HA . 15464 1 284 . 2 2 22 22 ARG HB2 H 1 1.937 0.02 . 2 . . . . 22 ARG HB2 . 15464 1 285 . 2 2 22 22 ARG HB3 H 1 1.877 0.02 . 2 . . . . 22 ARG HB3 . 15464 1 286 . 2 2 22 22 ARG HD2 H 1 3.209 0.02 . 1 . . . . 22 ARG HD2 . 15464 1 287 . 2 2 22 22 ARG HD3 H 1 3.209 0.02 . 1 . . . . 22 ARG HD3 . 15464 1 288 . 2 2 22 22 ARG HE H 1 7.221 0.02 . 1 . . . . 22 ARG HE . 15464 1 289 . 2 2 22 22 ARG HG2 H 1 1.713 0.02 . 1 . . . . 22 ARG HG2 . 15464 1 290 . 2 2 22 22 ARG HG3 H 1 1.713 0.02 . 1 . . . . 22 ARG HG3 . 15464 1 291 . 2 2 23 23 GLY H H 1 7.757 0.02 . 1 . . . . 23 GLY H . 15464 1 292 . 2 2 23 23 GLY HA2 H 1 3.882 0.02 . 2 . . . . 23 GLY HA2 . 15464 1 293 . 2 2 23 23 GLY HA3 H 1 3.814 0.02 . 2 . . . . 23 GLY HA3 . 15464 1 294 . 2 2 24 24 PHE H H 1 7.648 0.02 . 1 . . . . 24 PHE H . 15464 1 295 . 2 2 24 24 PHE HA H 1 4.667 0.02 . 1 . . . . 24 PHE HA . 15464 1 296 . 2 2 24 24 PHE HB2 H 1 3.031 0.02 . 2 . . . . 24 PHE HB2 . 15464 1 297 . 2 2 24 24 PHE HB3 H 1 2.885 0.02 . 2 . . . . 24 PHE HB3 . 15464 1 298 . 2 2 24 24 PHE HD1 H 1 7.002 0.02 . 3 . . . . 24 PHE HD1 . 15464 1 299 . 2 2 24 24 PHE HE1 H 1 7.151 0.02 . 3 . . . . 24 PHE HE1 . 15464 1 300 . 2 2 25 25 PHE H H 1 8.006 0.02 . 1 . . . . 25 PHE H . 15464 1 301 . 2 2 25 25 PHE HA H 1 4.588 0.02 . 1 . . . . 25 PHE HA . 15464 1 302 . 2 2 25 25 PHE HB2 H 1 3.075 0.02 . 2 . . . . 25 PHE HB2 . 15464 1 303 . 2 2 25 25 PHE HB3 H 1 2.956 0.02 . 2 . . . . 25 PHE HB3 . 15464 1 304 . 2 2 25 25 PHE HD1 H 1 7.196 0.02 . 3 . . . . 25 PHE HD1 . 15464 1 305 . 2 2 25 25 PHE HE1 H 1 7.287 0.02 . 3 . . . . 25 PHE HE1 . 15464 1 306 . 2 2 26 26 TYR H H 1 7.766 0.02 . 1 . . . . 26 TYR H . 15464 1 307 . 2 2 26 26 TYR HA H 1 4.582 0.02 . 1 . . . . 26 TYR HA . 15464 1 308 . 2 2 26 26 TYR HB2 H 1 2.948 0.02 . 2 . . . . 26 TYR HB2 . 15464 1 309 . 2 2 26 26 TYR HB3 H 1 2.907 0.02 . 2 . . . . 26 TYR HB3 . 15464 1 310 . 2 2 26 26 TYR HD1 H 1 7.034 0.02 . 3 . . . . 26 TYR HD1 . 15464 1 311 . 2 2 26 26 TYR HE1 H 1 6.755 0.02 . 3 . . . . 26 TYR HE1 . 15464 1 312 . 2 2 27 27 THR H H 1 7.644 0.02 . 1 . . . . 27 THR H . 15464 1 313 . 2 2 27 27 THR HA H 1 4.551 0.02 . 1 . . . . 27 THR HA . 15464 1 314 . 2 2 27 27 THR HB H 1 4.064 0.02 . 1 . . . . 27 THR HB . 15464 1 315 . 2 2 27 27 THR HG21 H 1 1.171 0.02 . 1 . . . . 27 THR HG2 . 15464 1 316 . 2 2 27 27 THR HG22 H 1 1.171 0.02 . 1 . . . . 27 THR HG2 . 15464 1 317 . 2 2 27 27 THR HG23 H 1 1.171 0.02 . 1 . . . . 27 THR HG2 . 15464 1 318 . 2 2 28 28 PRO HA H 1 4.334 0.02 . 1 . . . . 28 PRO HA . 15464 1 319 . 2 2 28 28 PRO HB2 H 1 2.232 0.02 . 2 . . . . 28 PRO HB2 . 15464 1 320 . 2 2 28 28 PRO HB3 H 1 1.921 0.02 . 2 . . . . 28 PRO HB3 . 15464 1 321 . 2 2 28 28 PRO HD2 H 1 3.646 0.02 . 1 . . . . 28 PRO HD2 . 15464 1 322 . 2 2 28 28 PRO HD3 H 1 3.646 0.02 . 1 . . . . 28 PRO HD3 . 15464 1 323 . 2 2 28 28 PRO HG2 H 1 1.994 0.02 . 2 . . . . 28 PRO HG2 . 15464 1 324 . 2 2 28 28 PRO HG3 H 1 1.915 0.02 . 2 . . . . 28 PRO HG3 . 15464 1 325 . 2 2 29 29 LYS HA H 1 4.358 0.02 . 1 . . . . 29 LYS HA . 15464 1 326 . 2 2 29 29 LYS HB2 H 1 1.852 0.02 . 2 . . . . 29 LYS HB2 . 15464 1 327 . 2 2 29 29 LYS HB3 H 1 1.734 0.02 . 2 . . . . 29 LYS HB3 . 15464 1 328 . 2 2 29 29 LYS HD2 H 1 1.656 0.02 . 1 . . . . 29 LYS HD2 . 15464 1 329 . 2 2 29 29 LYS HD3 H 1 1.656 0.02 . 1 . . . . 29 LYS HD3 . 15464 1 330 . 2 2 29 29 LYS HE2 H 1 2.950 0.02 . 1 . . . . 29 LYS HE2 . 15464 1 331 . 2 2 29 29 LYS HE3 H 1 2.950 0.02 . 1 . . . . 29 LYS HE3 . 15464 1 332 . 2 2 29 29 LYS HG2 H 1 1.449 0.02 . 1 . . . . 29 LYS HG2 . 15464 1 333 . 2 2 29 29 LYS HG3 H 1 1.449 0.02 . 1 . . . . 29 LYS HG3 . 15464 1 334 . 2 2 30 30 THR H H 1 7.726 0.02 . 1 . . . . 30 THR H . 15464 1 335 . 2 2 30 30 THR HA H 1 4.309 0.02 . 1 . . . . 30 THR HA . 15464 1 336 . 2 2 30 30 THR HB H 1 4.292 0.02 . 1 . . . . 30 THR HB . 15464 1 337 . 2 2 30 30 THR HG21 H 1 1.152 0.02 . 1 . . . . 30 THR HG2 . 15464 1 338 . 2 2 30 30 THR HG22 H 1 1.152 0.02 . 1 . . . . 30 THR HG2 . 15464 1 339 . 2 2 30 30 THR HG23 H 1 1.152 0.02 . 1 . . . . 30 THR HG2 . 15464 1 stop_ save_