################################### # 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 36066 _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' 1 $sample_1 isotropic 36066 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36066 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 GLN H H 1 7.882 0.000 . 1 . . . . A 1 GLN H1 . 36066 1 2 . 1 . 1 1 1 GLN HA H 1 4.460 0.002 . 1 . . . . A 1 GLN HA . 36066 1 3 . 1 . 1 1 1 GLN HB2 H 1 2.040 0.001 . . . . . . A 1 GLN HB2 . 36066 1 4 . 1 . 1 1 1 GLN HB3 H 1 2.040 0.001 . . . . . . A 1 GLN HB3 . 36066 1 5 . 1 . 1 1 1 GLN HG2 H 1 2.578 0.001 . . . . . . A 1 GLN HG2 . 36066 1 6 . 1 . 1 1 1 GLN HG3 H 1 2.457 0.002 . . . . . . A 1 GLN HG3 . 36066 1 7 . 1 . 1 2 2 CYS H H 1 8.121 0.001 . 1 . . . . A 2 CYS H . 36066 1 8 . 1 . 1 2 2 CYS HA H 1 4.684 0.005 . 1 . . . . A 2 CYS HA . 36066 1 9 . 1 . 1 2 2 CYS HB2 H 1 3.183 0.001 . . . . . . A 2 CYS HB2 . 36066 1 10 . 1 . 1 2 2 CYS HB3 H 1 3.094 0.006 . . . . . . A 2 CYS HB3 . 36066 1 11 . 1 . 1 3 3 LYS H H 1 9.145 0.003 . 1 . . . . A 3 LYS H . 36066 1 12 . 1 . 1 3 3 LYS HA H 1 4.684 0.005 . 1 . . . . A 3 LYS HA . 36066 1 13 . 1 . 1 3 3 LYS HB2 H 1 1.898 0.004 . . . . . . A 3 LYS HB2 . 36066 1 14 . 1 . 1 3 3 LYS HB3 H 1 1.740 0.004 . . . . . . A 3 LYS HB3 . 36066 1 15 . 1 . 1 3 3 LYS HG2 H 1 1.357 0.004 . . . . . . A 3 LYS HG2 . 36066 1 16 . 1 . 1 3 3 LYS HG3 H 1 1.357 0.004 . . . . . . A 3 LYS HG3 . 36066 1 17 . 1 . 1 3 3 LYS HD2 H 1 1.613 0.002 . . . . . . A 3 LYS HD2 . 36066 1 18 . 1 . 1 3 3 LYS HD3 H 1 1.613 0.002 . . . . . . A 3 LYS HD3 . 36066 1 19 . 1 . 1 4 4 PRO HA H 1 4.437 0.003 . 1 . . . . A 4 PRO HA . 36066 1 20 . 1 . 1 4 4 PRO HB2 H 1 2.333 0.005 . . . . . . A 4 PRO HB2 . 36066 1 21 . 1 . 1 4 4 PRO HB3 H 1 2.071 0.008 . . . . . . A 4 PRO HB3 . 36066 1 22 . 1 . 1 4 4 PRO HG2 H 1 1.921 0.004 . . . . . . A 4 PRO HG2 . 36066 1 23 . 1 . 1 4 4 PRO HG3 H 1 1.921 0.004 . . . . . . A 4 PRO HG3 . 36066 1 24 . 1 . 1 4 4 PRO HD2 H 1 3.676 0.006 . . . . . . A 4 PRO HD2 . 36066 1 25 . 1 . 1 4 4 PRO HD3 H 1 3.971 0.002 . . . . . . A 4 PRO HD3 . 36066 1 26 . 1 . 1 5 5 ASN H H 1 8.608 0.004 . 1 . . . . A 5 ASN H . 36066 1 27 . 1 . 1 5 5 ASN HA H 1 4.151 0.003 . 1 . . . . A 5 ASN HA . 36066 1 28 . 1 . 1 5 5 ASN HB2 H 1 2.745 0.005 . . . . . . A 5 ASN HB2 . 36066 1 29 . 1 . 1 5 5 ASN HB3 H 1 2.745 0.005 . . . . . . A 5 ASN HB3 . 36066 1 30 . 1 . 1 5 5 ASN HD21 H 1 7.462 0.004 . . . . . . A 5 ASN HD21 . 36066 1 31 . 1 . 1 5 5 ASN HD22 H 1 6.559 0.001 . . . . . . A 5 ASN HD22 . 36066 1 32 . 1 . 1 6 6 GLY H H 1 9.242 0.002 . 1 . . . . A 6 GLY H . 36066 1 33 . 1 . 1 6 6 GLY HA2 H 1 4.523 0.002 . . . . . . A 6 GLY HA2 . 36066 1 34 . 1 . 1 6 6 GLY HA3 H 1 3.560 0.002 . . . . . . A 6 GLY HA3 . 36066 1 35 . 1 . 1 7 7 ALA H H 1 7.728 0.001 . 1 . . . . A 7 ALA H . 36066 1 36 . 1 . 1 7 7 ALA HA H 1 4.381 0.001 . 1 . . . . A 7 ALA HA . 36066 1 37 . 1 . 1 7 7 ALA HB1 H 1 1.478 0.005 . 1 . . . . A 7 ALA HB1 . 36066 1 38 . 1 . 1 7 7 ALA HB2 H 1 1.478 0.005 . 1 . . . . A 7 ALA HB2 . 36066 1 39 . 1 . 1 7 7 ALA HB3 H 1 1.478 0.005 . 1 . . . . A 7 ALA HB3 . 36066 1 40 . 1 . 1 8 8 LYS H H 1 8.319 0.001 . 1 . . . . A 8 LYS H . 36066 1 41 . 1 . 1 8 8 LYS HA H 1 4.679 0.004 . 1 . . . . A 8 LYS HA . 36066 1 42 . 1 . 1 8 8 LYS HB2 H 1 1.892 0.000 . . . . . . A 8 LYS HB2 . 36066 1 43 . 1 . 1 8 8 LYS HB3 H 1 1.797 0.005 . . . . . . A 8 LYS HB3 . 36066 1 44 . 1 . 1 8 8 LYS HG2 H 1 1.623 0.000 . . . . . . A 8 LYS HG2 . 36066 1 45 . 1 . 1 8 8 LYS HG3 H 1 1.623 0.000 . . . . . . A 8 LYS HG3 . 36066 1 46 . 1 . 1 8 8 LYS HD2 H 1 1.703 0.000 . . . . . . A 8 LYS HD2 . 36066 1 47 . 1 . 1 8 8 LYS HD3 H 1 1.703 0.000 . . . . . . A 8 LYS HD3 . 36066 1 48 . 1 . 1 9 9 CYS H H 1 8.088 0.004 . 1 . . . . A 9 CYS H . 36066 1 49 . 1 . 1 9 9 CYS HA H 1 4.920 0.002 . 1 . . . . A 9 CYS HA . 36066 1 50 . 1 . 1 9 9 CYS HB2 H 1 3.082 0.005 . . . . . . A 9 CYS HB2 . 36066 1 51 . 1 . 1 9 9 CYS HB3 H 1 2.946 0.004 . . . . . . A 9 CYS HB3 . 36066 1 52 . 1 . 1 10 10 THR H H 1 8.379 0.005 . 1 . . . . A 10 THR H . 36066 1 53 . 1 . 1 10 10 THR HA H 1 4.558 0.008 . 1 . . . . A 10 THR HA . 36066 1 54 . 1 . 1 10 10 THR HG21 H 1 1.206 0.003 . 1 . . . . A 10 THR HG21 . 36066 1 55 . 1 . 1 10 10 THR HG22 H 1 1.206 0.003 . 1 . . . . A 10 THR HG22 . 36066 1 56 . 1 . 1 10 10 THR HG23 H 1 1.206 0.003 . 1 . . . . A 10 THR HG23 . 36066 1 57 . 1 . 1 11 11 GLU H H 1 9.141 0.002 . 1 . . . . A 11 GLU H . 36066 1 58 . 1 . 1 11 11 GLU HA H 1 4.060 0.003 . 1 . . . . A 11 GLU HA . 36066 1 59 . 1 . 1 11 11 GLU HB2 H 1 2.089 0.001 . . . . . . A 11 GLU HB2 . 36066 1 60 . 1 . 1 11 11 GLU HB3 H 1 2.089 0.001 . . . . . . A 11 GLU HB3 . 36066 1 61 . 1 . 1 11 11 GLU HG2 H 1 2.471 0.001 . . . . . . A 11 GLU HG2 . 36066 1 62 . 1 . 1 11 11 GLU HG3 H 1 2.471 0.001 . . . . . . A 11 GLU HG3 . 36066 1 63 . 1 . 1 12 12 ILE H H 1 7.562 0.001 . 1 . . . . A 12 ILE H . 36066 1 64 . 1 . 1 12 12 ILE HA H 1 4.527 0.005 . 1 . . . . A 12 ILE HA . 36066 1 65 . 1 . 1 12 12 ILE HB H 1 2.089 0.002 . 1 . . . . A 12 ILE HB . 36066 1 66 . 1 . 1 12 12 ILE HG12 H 1 1.212 0.001 . . . . . . A 12 ILE HG12 . 36066 1 67 . 1 . 1 12 12 ILE HG13 H 1 1.212 0.001 . . . . . . A 12 ILE HG13 . 36066 1 68 . 1 . 1 12 12 ILE HG21 H 1 1.073 0.004 . 1 . . . . A 12 ILE HG21 . 36066 1 69 . 1 . 1 12 12 ILE HG22 H 1 1.073 0.004 . 1 . . . . A 12 ILE HG22 . 36066 1 70 . 1 . 1 12 12 ILE HG23 H 1 1.073 0.004 . 1 . . . . A 12 ILE HG23 . 36066 1 71 . 1 . 1 12 12 ILE HD11 H 1 0.859 0.002 . 1 . . . . A 12 ILE HD11 . 36066 1 72 . 1 . 1 12 12 ILE HD12 H 1 0.859 0.002 . 1 . . . . A 12 ILE HD12 . 36066 1 73 . 1 . 1 12 12 ILE HD13 H 1 0.859 0.002 . 1 . . . . A 12 ILE HD13 . 36066 1 74 . 1 . 1 13 13 SER H H 1 7.477 0.003 . 1 . . . . A 13 SER H . 36066 1 75 . 1 . 1 13 13 SER HA H 1 4.189 0.002 . 1 . . . . A 13 SER HA . 36066 1 76 . 1 . 1 13 13 SER HB2 H 1 3.943 0.004 . . . . . . A 13 SER HB2 . 36066 1 77 . 1 . 1 13 13 SER HB3 H 1 3.943 0.004 . . . . . . A 13 SER HB3 . 36066 1 78 . 1 . 1 14 14 ILE H H 1 8.035 0.009 . 1 . . . . A 14 ILE H . 36066 1 79 . 1 . 1 14 14 ILE HA H 1 4.184 0.004 . 1 . . . . A 14 ILE HA . 36066 1 80 . 1 . 1 14 14 ILE HB H 1 1.786 0.005 . 1 . . . . A 14 ILE HB . 36066 1 81 . 1 . 1 14 14 ILE HG12 H 1 1.499 0.004 . . . . . . A 14 ILE HG12 . 36066 1 82 . 1 . 1 14 14 ILE HG13 H 1 1.499 0.004 . . . . . . A 14 ILE HG13 . 36066 1 83 . 1 . 1 14 14 ILE HG21 H 1 1.110 0.001 . 1 . . . . A 14 ILE HG21 . 36066 1 84 . 1 . 1 14 14 ILE HG22 H 1 1.110 0.001 . 1 . . . . A 14 ILE HG22 . 36066 1 85 . 1 . 1 14 14 ILE HG23 H 1 1.110 0.001 . 1 . . . . A 14 ILE HG23 . 36066 1 86 . 1 . 1 14 14 ILE HD11 H 1 0.875 0.005 . 1 . . . . A 14 ILE HD11 . 36066 1 87 . 1 . 1 14 14 ILE HD12 H 1 0.875 0.005 . 1 . . . . A 14 ILE HD12 . 36066 1 88 . 1 . 1 14 14 ILE HD13 H 1 0.875 0.005 . 1 . . . . A 14 ILE HD13 . 36066 1 89 . 1 . 1 15 15 PRO HA H 1 4.896 0.003 . 1 . . . . A 15 PRO HA . 36066 1 90 . 1 . 1 15 15 PRO HB2 H 1 2.492 0.004 . . . . . . A 15 PRO HB2 . 36066 1 91 . 1 . 1 15 15 PRO HB3 H 1 1.934 0.000 . . . . . . A 15 PRO HB3 . 36066 1 92 . 1 . 1 15 15 PRO HG2 H 1 1.804 0.004 . . . . . . A 15 PRO HG2 . 36066 1 93 . 1 . 1 15 15 PRO HG3 H 1 1.804 0.004 . . . . . . A 15 PRO HG3 . 36066 1 94 . 1 . 1 15 15 PRO HD2 H 1 3.639 0.000 . . . . . . A 15 PRO HD2 . 36066 1 95 . 1 . 1 15 15 PRO HD3 H 1 3.454 0.000 . . . . . . A 15 PRO HD3 . 36066 1 96 . 1 . 1 16 16 PRO HA H 1 4.537 0.000 . 1 . . . . A 16 PRO HA . 36066 1 97 . 1 . 1 16 16 PRO HB2 H 1 2.411 0.000 . . . . . . A 16 PRO HB2 . 36066 1 98 . 1 . 1 16 16 PRO HB3 H 1 2.125 0.004 . . . . . . A 16 PRO HB3 . 36066 1 99 . 1 . 1 16 16 PRO HG2 H 1 1.909 0.000 . . . . . . A 16 PRO HG2 . 36066 1 100 . 1 . 1 16 16 PRO HG3 H 1 1.909 0.000 . . . . . . A 16 PRO HG3 . 36066 1 101 . 1 . 1 16 16 PRO HD2 H 1 3.749 0.002 . . . . . . A 16 PRO HD2 . 36066 1 102 . 1 . 1 16 16 PRO HD3 H 1 3.749 0.002 . . . . . . A 16 PRO HD3 . 36066 1 103 . 1 . 1 17 17 CYS H H 1 9.031 0.003 . 1 . . . . A 17 CYS H . 36066 1 104 . 1 . 1 17 17 CYS HA H 1 4.834 0.004 . 1 . . . . A 17 CYS HA . 36066 1 105 . 1 . 1 17 17 CYS HB2 H 1 3.653 0.004 . . . . . . A 17 CYS HB2 . 36066 1 106 . 1 . 1 17 17 CYS HB3 H 1 2.429 0.005 . . . . . . A 17 CYS HB3 . 36066 1 107 . 1 . 1 18 18 CYS H H 1 10.346 0.001 . 1 . . . . A 18 CYS H . 36066 1 108 . 1 . 1 18 18 CYS HA H 1 4.458 0.002 . 1 . . . . A 18 CYS HA . 36066 1 109 . 1 . 1 18 18 CYS HB2 H 1 3.196 0.005 . . . . . . A 18 CYS HB2 . 36066 1 110 . 1 . 1 18 18 CYS HB3 H 1 2.861 0.007 . . . . . . A 18 CYS HB3 . 36066 1 111 . 1 . 1 19 19 SER H H 1 9.388 0.001 . 1 . . . . A 19 SER H . 36066 1 112 . 1 . 1 19 19 SER HA H 1 4.248 0.003 . 1 . . . . A 19 SER HA . 36066 1 113 . 1 . 1 19 19 SER HB2 H 1 3.956 0.004 . . . . . . A 19 SER HB2 . 36066 1 114 . 1 . 1 19 19 SER HB3 H 1 3.956 0.004 . . . . . . A 19 SER HB3 . 36066 1 115 . 1 . 1 20 20 ASN H H 1 8.140 0.001 . 1 . . . . A 20 ASN H . 36066 1 116 . 1 . 1 20 20 ASN HA H 1 4.357 0.004 . 1 . . . . A 20 ASN HA . 36066 1 117 . 1 . 1 20 20 ASN HB2 H 1 3.273 0.005 . . . . . . A 20 ASN HB2 . 36066 1 118 . 1 . 1 20 20 ASN HB3 H 1 2.941 0.004 . . . . . . A 20 ASN HB3 . 36066 1 119 . 1 . 1 20 20 ASN HD21 H 1 6.856 0.001 . . . . . . A 20 ASN HD21 . 36066 1 120 . 1 . 1 20 20 ASN HD22 H 1 6.856 0.001 . . . . . . A 20 ASN HD22 . 36066 1 121 . 1 . 1 21 21 PHE H H 1 8.395 0.002 . 1 . . . . A 21 PHE H . 36066 1 122 . 1 . 1 21 21 PHE HA H 1 4.861 0.004 . 1 . . . . A 21 PHE HA . 36066 1 123 . 1 . 1 21 21 PHE HB2 H 1 3.304 0.004 . . . . . . A 21 PHE HB2 . 36066 1 124 . 1 . 1 21 21 PHE HB3 H 1 2.755 0.003 . . . . . . A 21 PHE HB3 . 36066 1 125 . 1 . 1 21 21 PHE HD1 H 1 7.104 0.002 . . . . . . A 21 PHE HD1 . 36066 1 126 . 1 . 1 21 21 PHE HD2 H 1 7.275 0.004 . . . . . . A 21 PHE HD2 . 36066 1 127 . 1 . 1 22 22 CYS H H 1 8.236 0.006 . 1 . . . . A 22 CYS H . 36066 1 128 . 1 . 1 22 22 CYS HA H 1 4.548 0.003 . 1 . . . . A 22 CYS HA . 36066 1 129 . 1 . 1 22 22 CYS HB2 H 1 2.599 0.012 . . . . . . A 22 CYS HB2 . 36066 1 130 . 1 . 1 22 22 CYS HB3 H 1 2.555 0.002 . . . . . . A 22 CYS HB3 . 36066 1 131 . 1 . 1 23 23 LEU H H 1 8.321 0.003 . 1 . . . . A 23 LEU H . 36066 1 132 . 1 . 1 23 23 LEU HA H 1 3.679 0.007 . 1 . . . . A 23 LEU HA . 36066 1 133 . 1 . 1 23 23 LEU HB2 H 1 1.895 0.002 . . . . . . A 23 LEU HB2 . 36066 1 134 . 1 . 1 23 23 LEU HB3 H 1 1.111 0.000 . . . . . . A 23 LEU HB3 . 36066 1 135 . 1 . 1 23 23 LEU HG H 1 0.985 0.004 . 1 . . . . A 23 LEU HG . 36066 1 136 . 1 . 1 23 23 LEU HD11 H 1 0.843 0.002 . . . . . . A 23 LEU HD11 . 36066 1 137 . 1 . 1 23 23 LEU HD12 H 1 0.843 0.002 . . . . . . A 23 LEU HD12 . 36066 1 138 . 1 . 1 23 23 LEU HD13 H 1 0.843 0.002 . . . . . . A 23 LEU HD13 . 36066 1 139 . 1 . 1 23 23 LEU HD21 H 1 0.782 0.007 . . . . . . A 23 LEU HD21 . 36066 1 140 . 1 . 1 23 23 LEU HD22 H 1 0.782 0.007 . . . . . . A 23 LEU HD22 . 36066 1 141 . 1 . 1 23 23 LEU HD23 H 1 0.782 0.007 . . . . . . A 23 LEU HD23 . 36066 1 142 . 1 . 1 24 24 ARG H H 1 8.194 0.002 . 1 . . . . A 24 ARG H . 36066 1 143 . 1 . 1 24 24 ARG HA H 1 4.537 0.002 . 1 . . . . A 24 ARG HA . 36066 1 144 . 1 . 1 24 24 ARG HB2 H 1 1.721 0.003 . . . . . . A 24 ARG HB2 . 36066 1 145 . 1 . 1 24 24 ARG HB3 H 1 1.370 0.006 . . . . . . A 24 ARG HB3 . 36066 1 146 . 1 . 1 24 24 ARG HG2 H 1 1.227 0.006 . . . . . . A 24 ARG HG2 . 36066 1 147 . 1 . 1 24 24 ARG HG3 H 1 1.227 0.006 . . . . . . A 24 ARG HG3 . 36066 1 148 . 1 . 1 24 24 ARG HD2 H 1 3.080 0.010 . . . . . . A 24 ARG HD2 . 36066 1 149 . 1 . 1 24 24 ARG HD3 H 1 2.839 0.004 . . . . . . A 24 ARG HD3 . 36066 1 150 . 1 . 1 24 24 ARG HE H 1 7.077 0.001 . 1 . . . . A 24 ARG HE . 36066 1 151 . 1 . 1 25 25 TYR H H 1 8.670 0.002 . 1 . . . . A 25 TYR H . 36066 1 152 . 1 . 1 25 25 TYR HA H 1 4.633 0.004 . 1 . . . . A 25 TYR HA . 36066 1 153 . 1 . 1 25 25 TYR HB2 H 1 3.170 0.003 . . . . . . A 25 TYR HB2 . 36066 1 154 . 1 . 1 25 25 TYR HB3 H 1 2.670 0.005 . . . . . . A 25 TYR HB3 . 36066 1 155 . 1 . 1 25 25 TYR HD1 H 1 7.175 0.003 . . . . . . A 25 TYR HD1 . 36066 1 156 . 1 . 1 25 25 TYR HD2 H 1 6.840 0.003 . . . . . . A 25 TYR HD2 . 36066 1 157 . 1 . 1 26 26 ALA H H 1 8.548 0.001 . 1 . . . . A 26 ALA H . 36066 1 158 . 1 . 1 26 26 ALA HA H 1 4.116 0.002 . 1 . . . . A 26 ALA HA . 36066 1 159 . 1 . 1 26 26 ALA HB1 H 1 1.392 0.004 . 1 . . . . A 26 ALA HB1 . 36066 1 160 . 1 . 1 26 26 ALA HB2 H 1 1.392 0.004 . 1 . . . . A 26 ALA HB2 . 36066 1 161 . 1 . 1 26 26 ALA HB3 H 1 1.392 0.004 . 1 . . . . A 26 ALA HB3 . 36066 1 162 . 1 . 1 27 27 GLY H H 1 8.635 0.002 . 1 . . . . A 27 GLY H . 36066 1 163 . 1 . 1 27 27 GLY HA2 H 1 3.753 0.003 . . . . . . A 27 GLY HA2 . 36066 1 164 . 1 . 1 27 27 GLY HA3 H 1 3.753 0.003 . . . . . . A 27 GLY HA3 . 36066 1 165 . 1 . 1 28 28 GLN H H 1 8.009 0.001 . 1 . . . . A 28 GLN H . 36066 1 166 . 1 . 1 28 28 GLN HA H 1 4.543 0.001 . 1 . . . . A 28 GLN HA . 36066 1 167 . 1 . 1 28 28 GLN HB2 H 1 2.371 0.006 . . . . . . A 28 GLN HB2 . 36066 1 168 . 1 . 1 28 28 GLN HB3 H 1 2.268 0.006 . . . . . . A 28 GLN HB3 . 36066 1 169 . 1 . 1 28 28 GLN HG2 H 1 2.506 0.004 . . . . . . A 28 GLN HG2 . 36066 1 170 . 1 . 1 28 28 GLN HG3 H 1 2.506 0.004 . . . . . . A 28 GLN HG3 . 36066 1 171 . 1 . 1 28 28 GLN HE21 H 1 6.865 0.000 . . . . . . A 28 GLN HE21 . 36066 1 172 . 1 . 1 28 28 GLN HE22 H 1 6.865 0.000 . . . . . . A 28 GLN HE22 . 36066 1 173 . 1 . 1 29 29 LYS H H 1 8.703 0.001 . 1 . . . . A 29 LYS H . 36066 1 174 . 1 . 1 29 29 LYS HA H 1 4.197 0.002 . 1 . . . . A 29 LYS HA . 36066 1 175 . 1 . 1 29 29 LYS HB2 H 1 1.877 0.000 . . . . . . A 29 LYS HB2 . 36066 1 176 . 1 . 1 29 29 LYS HB3 H 1 1.877 0.000 . . . . . . A 29 LYS HB3 . 36066 1 177 . 1 . 1 29 29 LYS HG2 H 1 1.568 0.000 . . . . . . A 29 LYS HG2 . 36066 1 178 . 1 . 1 29 29 LYS HG3 H 1 1.568 0.000 . . . . . . A 29 LYS HG3 . 36066 1 179 . 1 . 1 29 29 LYS HE2 H 1 3.032 0.000 . . . . . . A 29 LYS HE2 . 36066 1 180 . 1 . 1 29 29 LYS HE3 H 1 3.032 0.000 . . . . . . A 29 LYS HE3 . 36066 1 181 . 1 . 1 30 30 SER H H 1 7.795 0.002 . 1 . . . . A 30 SER H . 36066 1 182 . 1 . 1 30 30 SER HA H 1 4.825 0.003 . 1 . . . . A 30 SER HA . 36066 1 183 . 1 . 1 30 30 SER HB2 H 1 3.861 0.007 . . . . . . A 30 SER HB2 . 36066 1 184 . 1 . 1 30 30 SER HB3 H 1 3.861 0.007 . . . . . . A 30 SER HB3 . 36066 1 185 . 1 . 1 31 31 GLY H H 1 8.793 0.002 . 1 . . . . A 31 GLY H . 36066 1 186 . 1 . 1 31 31 GLY HA2 H 1 4.504 0.003 . . . . . . A 31 GLY HA2 . 36066 1 187 . 1 . 1 31 31 GLY HA3 H 1 3.796 0.004 . . . . . . A 31 GLY HA3 . 36066 1 188 . 1 . 1 32 32 THR H H 1 8.204 0.004 . 1 . . . . A 32 THR H . 36066 1 189 . 1 . 1 32 32 THR HA H 1 5.215 0.003 . 1 . . . . A 32 THR HA . 36066 1 190 . 1 . 1 32 32 THR HB H 1 4.551 0.000 . 1 . . . . A 32 THR HB . 36066 1 191 . 1 . 1 32 32 THR HG21 H 1 1.113 0.009 . 1 . . . . A 32 THR HG21 . 36066 1 192 . 1 . 1 32 32 THR HG22 H 1 1.113 0.009 . 1 . . . . A 32 THR HG22 . 36066 1 193 . 1 . 1 32 32 THR HG23 H 1 1.113 0.009 . 1 . . . . A 32 THR HG23 . 36066 1 194 . 1 . 1 33 33 CYS H H 1 9.194 0.004 . 1 . . . . A 33 CYS H . 36066 1 195 . 1 . 1 33 33 CYS HA H 1 5.018 0.005 . 1 . . . . A 33 CYS HA . 36066 1 196 . 1 . 1 33 33 CYS HB2 H 1 3.572 0.006 . . . . . . A 33 CYS HB2 . 36066 1 197 . 1 . 1 33 33 CYS HB3 H 1 2.956 0.001 . . . . . . A 33 CYS HB3 . 36066 1 198 . 1 . 1 34 34 ALA H H 1 8.751 0.001 . 1 . . . . A 34 ALA H . 36066 1 199 . 1 . 1 34 34 ALA HA H 1 4.648 0.008 . 1 . . . . A 34 ALA HA . 36066 1 200 . 1 . 1 34 34 ALA HB1 H 1 1.418 0.003 . 1 . . . . A 34 ALA HB1 . 36066 1 201 . 1 . 1 34 34 ALA HB2 H 1 1.418 0.003 . 1 . . . . A 34 ALA HB2 . 36066 1 202 . 1 . 1 34 34 ALA HB3 H 1 1.418 0.003 . 1 . . . . A 34 ALA HB3 . 36066 1 203 . 1 . 1 35 35 ASN H H 1 8.435 0.004 . 1 . . . . A 35 ASN H . 36066 1 204 . 1 . 1 35 35 ASN HA H 1 4.952 0.007 . 1 . . . . A 35 ASN HA . 36066 1 205 . 1 . 1 35 35 ASN HB2 H 1 2.854 0.002 . . . . . . A 35 ASN HB2 . 36066 1 206 . 1 . 1 35 35 ASN HB3 H 1 2.674 0.003 . . . . . . A 35 ASN HB3 . 36066 1 207 . 1 . 1 35 35 ASN HD21 H 1 7.627 0.001 . . . . . . A 35 ASN HD21 . 36066 1 208 . 1 . 1 35 35 ASN HD22 H 1 6.960 0.004 . . . . . . A 35 ASN HD22 . 36066 1 209 . 1 . 1 36 36 ARG H H 1 8.310 0.003 . 1 . . . . A 36 ARG H . 36066 1 210 . 1 . 1 36 36 ARG HA H 1 3.630 0.004 . 1 . . . . A 36 ARG HA . 36066 1 211 . 1 . 1 36 36 ARG HB2 H 1 1.482 0.002 . . . . . . A 36 ARG HB2 . 36066 1 212 . 1 . 1 36 36 ARG HB3 H 1 1.332 0.000 . . . . . . A 36 ARG HB3 . 36066 1 213 . 1 . 1 36 36 ARG HG2 H 1 1.111 0.000 . . . . . . A 36 ARG HG2 . 36066 1 214 . 1 . 1 36 36 ARG HG3 H 1 1.111 0.000 . . . . . . A 36 ARG HG3 . 36066 1 stop_ save_