################################### # 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 18859 _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 TOCSY' . . . 18859 1 2 '2D 1H-1H NOESY' . . . 18859 1 3 '2D 1H-1H NOESY' . . . 18859 1 4 '2D 1H-13C HSQC' . . . 18859 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 4.047 0.001 . . . . . A 1 GLY HA2 . 18859 1 2 . 1 1 1 1 GLY HA3 H 1 4.047 0.001 . . . . . A 1 GLY HA3 . 18859 1 3 . 1 1 2 2 ILE H H 1 8.529 0.001 . . . . . A 2 ILE H . 18859 1 4 . 1 1 2 2 ILE HA H 1 3.886 0.002 . . . . . A 2 ILE HA . 18859 1 5 . 1 1 2 2 ILE HB H 1 1.258 0.002 . . . . . A 2 ILE HB . 18859 1 6 . 1 1 2 2 ILE HG12 H 1 1.204 0.001 . . . . . A 2 ILE HG12 . 18859 1 7 . 1 1 2 2 ILE HG13 H 1 0.941 0.001 . . . . . A 2 ILE HG13 . 18859 1 8 . 1 1 2 2 ILE HG21 H 1 0.715 0.001 . . . . . A 2 ILE HG21 . 18859 1 9 . 1 1 2 2 ILE HG22 H 1 0.715 0.001 . . . . . A 2 ILE HG22 . 18859 1 10 . 1 1 2 2 ILE HG23 H 1 0.715 0.001 . . . . . A 2 ILE HG23 . 18859 1 11 . 1 1 2 2 ILE HD11 H 1 0.551 0.002 . . . . . A 2 ILE HD11 . 18859 1 12 . 1 1 2 2 ILE HD12 H 1 0.551 0.002 . . . . . A 2 ILE HD12 . 18859 1 13 . 1 1 2 2 ILE HD13 H 1 0.551 0.002 . . . . . A 2 ILE HD13 . 18859 1 14 . 1 1 3 3 VAL H H 1 8.223 0.001 . . . . . A 3 VAL H . 18859 1 15 . 1 1 3 3 VAL HA H 1 3.609 0.001 . . . . . A 3 VAL HA . 18859 1 16 . 1 1 3 3 VAL HB H 1 1.928 0.002 . . . . . A 3 VAL HB . 18859 1 17 . 1 1 3 3 VAL HG11 H 1 0.943 0.001 . . . . . A 3 VAL HG11 . 18859 1 18 . 1 1 3 3 VAL HG12 H 1 0.943 0.001 . . . . . A 3 VAL HG12 . 18859 1 19 . 1 1 3 3 VAL HG13 H 1 0.943 0.001 . . . . . A 3 VAL HG13 . 18859 1 20 . 1 1 3 3 VAL HG21 H 1 0.887 0.001 . . . . . A 3 VAL HG21 . 18859 1 21 . 1 1 3 3 VAL HG22 H 1 0.887 0.001 . . . . . A 3 VAL HG22 . 18859 1 22 . 1 1 3 3 VAL HG23 H 1 0.887 0.001 . . . . . A 3 VAL HG23 . 18859 1 23 . 1 1 5 5 GLN H H 1 8.214 0.001 . . . . . A 5 GLN H . 18859 1 24 . 1 1 5 5 GLN HA H 1 4.192 0.001 . . . . . A 5 GLN HA . 18859 1 25 . 1 1 5 5 GLN HB2 H 1 2.091 0.003 . . . . . A 5 GLN HB2 . 18859 1 26 . 1 1 5 5 GLN HG2 H 1 2.517 0.015 . . . . . A 5 GLN HG2 . 18859 1 27 . 1 1 5 5 GLN HG3 H 1 2.454 0.003 . . . . . A 5 GLN HG3 . 18859 1 28 . 1 1 5 5 GLN HE21 H 1 7.560 0.001 . . . . . A 5 GLN HE21 . 18859 1 29 . 1 1 5 5 GLN HE22 H 1 6.931 0.001 . . . . . A 5 GLN HE22 . 18859 1 30 . 1 1 6 6 CYS H H 1 8.353 0.001 . . . . . A 6 CYS H . 18859 1 31 . 1 1 6 6 CYS HA H 1 4.937 0.001 . . . . . A 6 CYS HA . 18859 1 32 . 1 1 6 6 CYS HB3 H 1 2.845 0.003 . . . . . A 6 CYS HB3 . 18859 1 33 . 1 1 7 7 CYS H H 1 8.334 0.003 . . . . . A 7 CYS H . 18859 1 34 . 1 1 7 7 CYS HA H 1 4.854 0.001 . . . . . A 7 CYS HA . 18859 1 35 . 1 1 7 7 CYS HB2 H 1 3.792 0.001 . . . . . A 7 CYS HB2 . 18859 1 36 . 1 1 7 7 CYS HB3 H 1 3.337 0.001 . . . . . A 7 CYS HB3 . 18859 1 37 . 1 1 8 8 THR H H 1 8.337 0.001 . . . . . A 8 THR H . 18859 1 38 . 1 1 8 8 THR HA H 1 4.003 0.001 . . . . . A 8 THR HA . 18859 1 39 . 1 1 8 8 THR HB H 1 4.412 0.002 . . . . . A 8 THR HB . 18859 1 40 . 1 1 8 8 THR HG21 H 1 1.258 0.001 . . . . . A 8 THR HG21 . 18859 1 41 . 1 1 8 8 THR HG22 H 1 1.258 0.001 . . . . . A 8 THR HG22 . 18859 1 42 . 1 1 8 8 THR HG23 H 1 1.258 0.001 . . . . . A 8 THR HG23 . 18859 1 43 . 1 1 9 9 SER H H 1 7.345 0.001 . . . . . A 9 SER H . 18859 1 44 . 1 1 9 9 SER HA H 1 4.807 0.001 . . . . . A 9 SER HA . 18859 1 45 . 1 1 9 9 SER HB2 H 1 4.058 0.002 . . . . . A 9 SER HB2 . 18859 1 46 . 1 1 9 9 SER HB3 H 1 3.894 0.002 . . . . . A 9 SER HB3 . 18859 1 47 . 1 1 10 10 ILE H H 1 7.881 0.001 . . . . . A 10 ILE H . 18859 1 48 . 1 1 10 10 ILE HA H 1 4.339 0.002 . . . . . A 10 ILE HA . 18859 1 49 . 1 1 10 10 ILE HB H 1 1.563 0.001 . . . . . A 10 ILE HB . 18859 1 50 . 1 1 10 10 ILE HG12 H 1 1.077 0.002 . . . . . A 10 ILE HG12 . 18859 1 51 . 1 1 10 10 ILE HG13 H 1 0.392 0.004 . . . . . A 10 ILE HG13 . 18859 1 52 . 1 1 10 10 ILE HG21 H 1 0.635 0.002 . . . . . A 10 ILE HG21 . 18859 1 53 . 1 1 10 10 ILE HG22 H 1 0.635 0.002 . . . . . A 10 ILE HG22 . 18859 1 54 . 1 1 10 10 ILE HG23 H 1 0.635 0.002 . . . . . A 10 ILE HG23 . 18859 1 55 . 1 1 10 10 ILE HD11 H 1 0.487 0.001 . . . . . A 10 ILE HD11 . 18859 1 56 . 1 1 10 10 ILE HD12 H 1 0.487 0.001 . . . . . A 10 ILE HD12 . 18859 1 57 . 1 1 10 10 ILE HD13 H 1 0.487 0.001 . . . . . A 10 ILE HD13 . 18859 1 58 . 1 1 11 11 CYS H H 1 9.795 0.001 . . . . . A 11 CYS H . 18859 1 59 . 1 1 11 11 CYS HA H 1 5.001 0.001 . . . . . A 11 CYS HA . 18859 1 60 . 1 1 12 12 SER H H 1 8.703 0.002 . . . . . A 12 SER H . 18859 1 61 . 1 1 12 12 SER HA H 1 4.597 0.001 . . . . . A 12 SER HA . 18859 1 62 . 1 1 12 12 SER HB2 H 1 4.284 0.001 . . . . . A 12 SER HB2 . 18859 1 63 . 1 1 12 12 SER HB3 H 1 4.007 0.001 . . . . . A 12 SER HB3 . 18859 1 64 . 1 1 13 13 LEU H H 1 8.656 0.001 . . . . . A 13 LEU H . 18859 1 65 . 1 1 13 13 LEU HA H 1 3.777 0.005 . . . . . A 13 LEU HA . 18859 1 66 . 1 1 13 13 LEU HB2 H 1 1.350 0.001 . . . . . A 13 LEU HB2 . 18859 1 67 . 1 1 13 13 LEU HB3 H 1 1.243 0.005 . . . . . A 13 LEU HB3 . 18859 1 68 . 1 1 13 13 LEU HD11 H 1 0.751 0.003 . . . . . A 13 LEU HD11 . 18859 1 69 . 1 1 13 13 LEU HD12 H 1 0.751 0.003 . . . . . A 13 LEU HD12 . 18859 1 70 . 1 1 13 13 LEU HD13 H 1 0.751 0.003 . . . . . A 13 LEU HD13 . 18859 1 71 . 1 1 13 13 LEU HD21 H 1 0.730 0.002 . . . . . A 13 LEU HD21 . 18859 1 72 . 1 1 13 13 LEU HD22 H 1 0.730 0.002 . . . . . A 13 LEU HD22 . 18859 1 73 . 1 1 13 13 LEU HD23 H 1 0.730 0.002 . . . . . A 13 LEU HD23 . 18859 1 74 . 1 1 14 14 TYR H H 1 7.572 0.001 . . . . . A 14 TYR H . 18859 1 75 . 1 1 14 14 TYR HA H 1 4.146 0.001 . . . . . A 14 TYR HA . 18859 1 76 . 1 1 14 14 TYR HB2 H 1 2.976 0.001 . . . . . A 14 TYR HB2 . 18859 1 77 . 1 1 14 14 TYR HB3 H 1 2.944 0.001 . . . . . A 14 TYR HB3 . 18859 1 78 . 1 1 14 14 TYR HD1 H 1 7.074 0.002 . . . . . A 14 TYR HD1 . 18859 1 79 . 1 1 14 14 TYR HD2 H 1 7.074 0.002 . . . . . A 14 TYR HD2 . 18859 1 80 . 1 1 14 14 TYR HE1 H 1 6.856 0.003 . . . . . A 14 TYR HE1 . 18859 1 81 . 1 1 14 14 TYR HE2 H 1 6.856 0.003 . . . . . A 14 TYR HE2 . 18859 1 82 . 1 1 15 15 GLN H H 1 7.547 0.001 . . . . . A 15 GLN H . 18859 1 83 . 1 1 15 15 GLN HA H 1 3.974 0.001 . . . . . A 15 GLN HA . 18859 1 84 . 1 1 15 15 GLN HB3 H 1 2.019 0.002 . . . . . A 15 GLN HB3 . 18859 1 85 . 1 1 15 15 GLN HG2 H 1 2.429 0.003 . . . . . A 15 GLN HG2 . 18859 1 86 . 1 1 15 15 GLN HG3 H 1 2.357 0.004 . . . . . A 15 GLN HG3 . 18859 1 87 . 1 1 15 15 GLN HE21 H 1 7.074 0.001 . . . . . A 15 GLN HE21 . 18859 1 88 . 1 1 15 15 GLN HE22 H 1 6.992 0.001 . . . . . A 15 GLN HE22 . 18859 1 89 . 1 1 16 16 LEU H H 1 8.069 0.001 . . . . . A 16 LEU H . 18859 1 90 . 1 1 16 16 LEU HA H 1 4.130 0.003 . . . . . A 16 LEU HA . 18859 1 91 . 1 1 16 16 LEU HB2 H 1 1.922 0.002 . . . . . A 16 LEU HB2 . 18859 1 92 . 1 1 16 16 LEU HB3 H 1 1.513 0.002 . . . . . A 16 LEU HB3 . 18859 1 93 . 1 1 16 16 LEU HG H 1 1.712 0.004 . . . . . A 16 LEU HG . 18859 1 94 . 1 1 16 16 LEU HD11 H 1 0.810 0.001 . . . . . A 16 LEU HD11 . 18859 1 95 . 1 1 16 16 LEU HD12 H 1 0.810 0.001 . . . . . A 16 LEU HD12 . 18859 1 96 . 1 1 16 16 LEU HD13 H 1 0.810 0.001 . . . . . A 16 LEU HD13 . 18859 1 97 . 1 1 16 16 LEU HD21 H 1 0.768 0.002 . . . . . A 16 LEU HD21 . 18859 1 98 . 1 1 16 16 LEU HD22 H 1 0.768 0.002 . . . . . A 16 LEU HD22 . 18859 1 99 . 1 1 16 16 LEU HD23 H 1 0.768 0.002 . . . . . A 16 LEU HD23 . 18859 1 100 . 1 1 17 17 GLU H H 1 8.077 0.001 . . . . . A 17 GLU H . 18859 1 101 . 1 1 17 17 GLU HA H 1 4.191 0.003 . . . . . A 17 GLU HA . 18859 1 102 . 1 1 17 17 GLU HB2 H 1 2.099 0.004 . . . . . A 17 GLU HB2 . 18859 1 103 . 1 1 17 17 GLU HB3 H 1 2.027 0.003 . . . . . A 17 GLU HB3 . 18859 1 104 . 1 1 17 17 GLU HG2 H 1 2.550 0.007 . . . . . A 17 GLU HG2 . 18859 1 105 . 1 1 17 17 GLU HG3 H 1 2.345 0.004 . . . . . A 17 GLU HG3 . 18859 1 106 . 1 1 18 18 ASN H H 1 7.394 0.001 . . . . . A 18 ASN H . 18859 1 107 . 1 1 18 18 ASN HA H 1 4.496 0.002 . . . . . A 18 ASN HA . 18859 1 108 . 1 1 18 18 ASN HB2 H 1 2.646 0.003 . . . . . A 18 ASN HB2 . 18859 1 109 . 1 1 18 18 ASN HB3 H 1 2.544 0.002 . . . . . A 18 ASN HB3 . 18859 1 110 . 1 1 18 18 ASN HD21 H 1 7.176 0.001 . . . . . A 18 ASN HD21 . 18859 1 111 . 1 1 18 18 ASN HD22 H 1 6.568 0.001 . . . . . A 18 ASN HD22 . 18859 1 112 . 1 1 19 19 TYR H H 1 7.906 0.001 . . . . . A 19 TYR H . 18859 1 113 . 1 1 19 19 TYR HA H 1 4.348 0.005 . . . . . A 19 TYR HA . 18859 1 114 . 1 1 19 19 TYR HB2 H 1 3.431 0.001 . . . . . A 19 TYR HB2 . 18859 1 115 . 1 1 19 19 TYR HB3 H 1 2.882 0.001 . . . . . A 19 TYR HB3 . 18859 1 116 . 1 1 19 19 TYR HD1 H 1 7.345 0.001 . . . . . A 19 TYR HD1 . 18859 1 117 . 1 1 19 19 TYR HD2 H 1 7.345 0.001 . . . . . A 19 TYR HD2 . 18859 1 118 . 1 1 19 19 TYR HE1 H 1 6.778 0.001 . . . . . A 19 TYR HE1 . 18859 1 119 . 1 1 19 19 TYR HE2 H 1 6.778 0.001 . . . . . A 19 TYR HE2 . 18859 1 120 . 1 1 20 20 CYS H H 1 7.319 0.002 . . . . . A 20 CYS H . 18859 1 121 . 1 1 20 20 CYS HA H 1 5.032 0.003 . . . . . A 20 CYS HA . 18859 1 122 . 1 1 20 20 CYS HB2 H 1 3.285 0.001 . . . . . A 20 CYS HB2 . 18859 1 123 . 1 1 20 20 CYS HB3 H 1 2.815 0.001 . . . . . A 20 CYS HB3 . 18859 1 124 . 1 1 21 21 ASN H H 1 8.260 0.001 . . . . . A 21 ASN H . 18859 1 125 . 1 1 21 21 ASN HA H 1 4.671 0.001 . . . . . A 21 ASN HA . 18859 1 126 . 1 1 21 21 ASN HB2 H 1 2.863 0.002 . . . . . A 21 ASN HB2 . 18859 1 127 . 1 1 21 21 ASN HB3 H 1 2.655 0.002 . . . . . A 21 ASN HB3 . 18859 1 128 . 1 1 21 21 ASN HD21 H 1 7.503 0.001 . . . . . A 21 ASN HD21 . 18859 1 129 . 1 1 21 21 ASN HD22 H 1 6.591 0.002 . . . . . A 21 ASN HD22 . 18859 1 130 . 2 2 1 1 PHE HA H 1 4.242 0.001 . . . . . B 1 PHE HA . 18859 1 131 . 2 2 1 1 PHE HB2 H 1 3.159 0.003 . . . . . B 1 PHE HB2 . 18859 1 132 . 2 2 1 1 PHE HB3 H 1 3.167 0.001 . . . . . B 1 PHE HB3 . 18859 1 133 . 2 2 1 1 PHE HD1 H 1 7.227 0.006 . . . . . B 1 PHE HD1 . 18859 1 134 . 2 2 1 1 PHE HD2 H 1 7.227 0.006 . . . . . B 1 PHE HD2 . 18859 1 135 . 2 2 1 1 PHE HE1 H 1 7.347 0.001 . . . . . B 1 PHE HE1 . 18859 1 136 . 2 2 1 1 PHE HE2 H 1 7.347 0.001 . . . . . B 1 PHE HE2 . 18859 1 137 . 2 2 2 2 VAL H H 1 8.119 0.001 . . . . . B 2 VAL H . 18859 1 138 . 2 2 2 2 VAL HA H 1 4.073 0.002 . . . . . B 2 VAL HA . 18859 1 139 . 2 2 2 2 VAL HB H 1 1.858 0.002 . . . . . B 2 VAL HB . 18859 1 140 . 2 2 2 2 VAL HG11 H 1 0.839 0.001 . . . . . B 2 VAL HG11 . 18859 1 141 . 2 2 2 2 VAL HG12 H 1 0.839 0.001 . . . . . B 2 VAL HG12 . 18859 1 142 . 2 2 2 2 VAL HG13 H 1 0.839 0.001 . . . . . B 2 VAL HG13 . 18859 1 143 . 2 2 2 2 VAL HG21 H 1 0.814 0.001 . . . . . B 2 VAL HG21 . 18859 1 144 . 2 2 2 2 VAL HG22 H 1 0.814 0.001 . . . . . B 2 VAL HG22 . 18859 1 145 . 2 2 2 2 VAL HG23 H 1 0.814 0.001 . . . . . B 2 VAL HG23 . 18859 1 146 . 2 2 3 3 ASN H H 1 8.523 0.002 . . . . . B 3 ASN H . 18859 1 147 . 2 2 3 3 ASN HA H 1 4.694 0.003 . . . . . B 3 ASN HA . 18859 1 148 . 2 2 3 3 ASN HB2 H 1 2.706 0.001 . . . . . B 3 ASN HB2 . 18859 1 149 . 2 2 3 3 ASN HD21 H 1 7.542 0.001 . . . . . B 3 ASN HD21 . 18859 1 150 . 2 2 3 3 ASN HD22 H 1 6.887 0.001 . . . . . B 3 ASN HD22 . 18859 1 151 . 2 2 4 4 GLN H H 1 8.468 0.002 . . . . . B 4 GLN H . 18859 1 152 . 2 2 4 4 GLN HA H 1 4.483 0.002 . . . . . B 4 GLN HA . 18859 1 153 . 2 2 4 4 GLN HB2 H 1 2.078 0.003 . . . . . B 4 GLN HB2 . 18859 1 154 . 2 2 4 4 GLN HB3 H 1 1.918 0.003 . . . . . B 4 GLN HB3 . 18859 1 155 . 2 2 4 4 GLN HG2 H 1 2.227 0.004 . . . . . B 4 GLN HG2 . 18859 1 156 . 2 2 5 5 HIS H H 1 8.732 0.001 . . . . . B 5 HIS H . 18859 1 157 . 2 2 5 5 HIS HA H 1 4.450 0.002 . . . . . B 5 HIS HA . 18859 1 158 . 2 2 5 5 HIS HB2 H 1 3.565 0.005 . . . . . B 5 HIS HB2 . 18859 1 159 . 2 2 5 5 HIS HB3 H 1 3.262 0.005 . . . . . B 5 HIS HB3 . 18859 1 160 . 2 2 5 5 HIS HD2 H 1 7.356 0.002 . . . . . B 5 HIS HD2 . 18859 1 161 . 2 2 5 5 HIS HE1 H 1 8.590 0.001 . . . . . B 5 HIS HE1 . 18859 1 162 . 2 2 6 6 LEU H H 1 9.086 0.002 . . . . . B 6 LEU H . 18859 1 163 . 2 2 6 6 LEU HA H 1 4.502 0.003 . . . . . B 6 LEU HA . 18859 1 164 . 2 2 6 6 LEU HB2 H 1 1.762 0.001 . . . . . B 6 LEU HB2 . 18859 1 165 . 2 2 6 6 LEU HB3 H 1 0.888 0.001 . . . . . B 6 LEU HB3 . 18859 1 166 . 2 2 6 6 LEU HG H 1 1.600 0.003 . . . . . B 6 LEU HG . 18859 1 167 . 2 2 6 6 LEU HD11 H 1 0.814 0.004 . . . . . B 6 LEU HD11 . 18859 1 168 . 2 2 6 6 LEU HD12 H 1 0.814 0.004 . . . . . B 6 LEU HD12 . 18859 1 169 . 2 2 6 6 LEU HD13 H 1 0.814 0.004 . . . . . B 6 LEU HD13 . 18859 1 170 . 2 2 6 6 LEU HD21 H 1 0.715 0.003 . . . . . B 6 LEU HD21 . 18859 1 171 . 2 2 6 6 LEU HD22 H 1 0.715 0.003 . . . . . B 6 LEU HD22 . 18859 1 172 . 2 2 6 6 LEU HD23 H 1 0.715 0.003 . . . . . B 6 LEU HD23 . 18859 1 173 . 2 2 7 7 CYS H H 1 8.416 0.001 . . . . . B 7 CYS H . 18859 1 174 . 2 2 7 7 CYS HA H 1 5.021 0.002 . . . . . B 7 CYS HA . 18859 1 175 . 2 2 7 7 CYS HB2 H 1 3.265 0.005 . . . . . B 7 CYS HB2 . 18859 1 176 . 2 2 7 7 CYS HB3 H 1 2.954 0.001 . . . . . B 7 CYS HB3 . 18859 1 177 . 2 2 8 8 GLY H H 1 9.501 0.001 . . . . . B 8 GLY H . 18859 1 178 . 2 2 8 8 GLY HA2 H 1 4.005 0.004 . . . . . B 8 GLY HA2 . 18859 1 179 . 2 2 8 8 GLY HA3 H 1 3.854 0.003 . . . . . B 8 GLY HA3 . 18859 1 180 . 2 2 9 9 SER H H 1 9.227 0.001 . . . . . B 9 SER H . 18859 1 181 . 2 2 9 9 SER HA H 1 4.116 0.001 . . . . . B 9 SER HA . 18859 1 182 . 2 2 9 9 SER HB2 H 1 3.883 0.003 . . . . . B 9 SER HB2 . 18859 1 183 . 2 2 9 9 SER HB3 H 1 3.883 0.003 . . . . . B 9 SER HB3 . 18859 1 184 . 2 2 10 10 HIS H H 1 8.013 0.001 . . . . . B 10 HIS H . 18859 1 185 . 2 2 10 10 HIS HA H 1 4.510 0.002 . . . . . B 10 HIS HA . 18859 1 186 . 2 2 10 10 HIS HB2 H 1 3.576 0.003 . . . . . B 10 HIS HB2 . 18859 1 187 . 2 2 10 10 HIS HB3 H 1 3.280 0.003 . . . . . B 10 HIS HB3 . 18859 1 188 . 2 2 10 10 HIS HD2 H 1 7.468 0.001 . . . . . B 10 HIS HD2 . 18859 1 189 . 2 2 10 10 HIS HE1 H 1 8.654 0.002 . . . . . B 10 HIS HE1 . 18859 1 190 . 2 2 11 11 LEU H H 1 7.044 0.001 . . . . . B 11 LEU H . 18859 1 191 . 2 2 11 11 LEU HA H 1 3.999 0.003 . . . . . B 11 LEU HA . 18859 1 192 . 2 2 11 11 LEU HB2 H 1 1.897 0.002 . . . . . B 11 LEU HB2 . 18859 1 193 . 2 2 11 11 LEU HB3 H 1 1.209 0.002 . . . . . B 11 LEU HB3 . 18859 1 194 . 2 2 11 11 LEU HG H 1 1.267 0.005 . . . . . B 11 LEU HG . 18859 1 195 . 2 2 11 11 LEU HD11 H 1 0.767 0.001 . . . . . B 11 LEU HD11 . 18859 1 196 . 2 2 11 11 LEU HD12 H 1 0.767 0.001 . . . . . B 11 LEU HD12 . 18859 1 197 . 2 2 11 11 LEU HD13 H 1 0.767 0.001 . . . . . B 11 LEU HD13 . 18859 1 198 . 2 2 11 11 LEU HD21 H 1 0.693 0.001 . . . . . B 11 LEU HD21 . 18859 1 199 . 2 2 11 11 LEU HD22 H 1 0.693 0.001 . . . . . B 11 LEU HD22 . 18859 1 200 . 2 2 11 11 LEU HD23 H 1 0.693 0.001 . . . . . B 11 LEU HD23 . 18859 1 201 . 2 2 12 12 VAL H H 1 7.096 0.002 . . . . . B 12 VAL H . 18859 1 202 . 2 2 12 12 VAL HA H 1 3.271 0.005 . . . . . B 12 VAL HA . 18859 1 203 . 2 2 12 12 VAL HB H 1 2.043 0.002 . . . . . B 12 VAL HB . 18859 1 204 . 2 2 12 12 VAL HG11 H 1 0.962 0.004 . . . . . B 12 VAL HG11 . 18859 1 205 . 2 2 12 12 VAL HG12 H 1 0.962 0.004 . . . . . B 12 VAL HG12 . 18859 1 206 . 2 2 12 12 VAL HG13 H 1 0.962 0.004 . . . . . B 12 VAL HG13 . 18859 1 207 . 2 2 12 12 VAL HG21 H 1 0.935 0.005 . . . . . B 12 VAL HG21 . 18859 1 208 . 2 2 12 12 VAL HG22 H 1 0.935 0.005 . . . . . B 12 VAL HG22 . 18859 1 209 . 2 2 12 12 VAL HG23 H 1 0.935 0.005 . . . . . B 12 VAL HG23 . 18859 1 210 . 2 2 13 13 GLU H H 1 7.842 0.001 . . . . . B 13 GLU H . 18859 1 211 . 2 2 13 13 GLU HA H 1 4.121 0.004 . . . . . B 13 GLU HA . 18859 1 212 . 2 2 13 13 GLU HB2 H 1 2.152 0.003 . . . . . B 13 GLU HB2 . 18859 1 213 . 2 2 13 13 GLU HB3 H 1 2.086 0.002 . . . . . B 13 GLU HB3 . 18859 1 214 . 2 2 13 13 GLU HG2 H 1 2.546 0.004 . . . . . B 13 GLU HG2 . 18859 1 215 . 2 2 13 13 GLU HG3 H 1 2.546 0.004 . . . . . B 13 GLU HG3 . 18859 1 216 . 2 2 14 14 ALA H H 1 7.610 0.001 . . . . . B 14 ALA H . 18859 1 217 . 2 2 14 14 ALA HA H 1 4.132 0.001 . . . . . B 14 ALA HA . 18859 1 218 . 2 2 14 14 ALA HB1 H 1 1.483 0.001 . . . . . B 14 ALA HB1 . 18859 1 219 . 2 2 14 14 ALA HB2 H 1 1.483 0.001 . . . . . B 14 ALA HB2 . 18859 1 220 . 2 2 14 14 ALA HB3 H 1 1.483 0.001 . . . . . B 14 ALA HB3 . 18859 1 221 . 2 2 15 15 LEU H H 1 7.993 0.002 . . . . . B 15 LEU H . 18859 1 222 . 2 2 15 15 LEU HA H 1 3.788 0.002 . . . . . B 15 LEU HA . 18859 1 223 . 2 2 15 15 LEU HB2 H 1 1.099 0.002 . . . . . B 15 LEU HB2 . 18859 1 224 . 2 2 15 15 LEU HB3 H 1 0.455 0.003 . . . . . B 15 LEU HB3 . 18859 1 225 . 2 2 15 15 LEU HG H 1 1.350 0.001 . . . . . B 15 LEU HG . 18859 1 226 . 2 2 15 15 LEU HD11 H 1 0.595 0.001 . . . . . B 15 LEU HD11 . 18859 1 227 . 2 2 15 15 LEU HD12 H 1 0.595 0.001 . . . . . B 15 LEU HD12 . 18859 1 228 . 2 2 15 15 LEU HD13 H 1 0.595 0.001 . . . . . B 15 LEU HD13 . 18859 1 229 . 2 2 15 15 LEU HD21 H 1 0.314 0.001 . . . . . B 15 LEU HD21 . 18859 1 230 . 2 2 15 15 LEU HD22 H 1 0.314 0.001 . . . . . B 15 LEU HD22 . 18859 1 231 . 2 2 15 15 LEU HD23 H 1 0.314 0.001 . . . . . B 15 LEU HD23 . 18859 1 232 . 2 2 16 16 TYR H H 1 8.131 0.001 . . . . . B 16 TYR H . 18859 1 233 . 2 2 16 16 TYR HA H 1 4.314 0.001 . . . . . B 16 TYR HA . 18859 1 234 . 2 2 16 16 TYR HB2 H 1 3.142 0.001 . . . . . B 16 TYR HB2 . 18859 1 235 . 2 2 16 16 TYR HB3 H 1 3.142 0.001 . . . . . B 16 TYR HB3 . 18859 1 236 . 2 2 16 16 TYR HD1 H 1 7.189 0.003 . . . . . B 16 TYR HD1 . 18859 1 237 . 2 2 16 16 TYR HD2 H 1 7.189 0.003 . . . . . B 16 TYR HD2 . 18859 1 238 . 2 2 16 16 TYR HE1 H 1 6.814 0.004 . . . . . B 16 TYR HE1 . 18859 1 239 . 2 2 16 16 TYR HE2 H 1 6.814 0.004 . . . . . B 16 TYR HE2 . 18859 1 240 . 2 2 17 17 LEU H H 1 7.715 0.002 . . . . . B 17 LEU H . 18859 1 241 . 2 2 17 17 LEU HA H 1 4.068 0.003 . . . . . B 17 LEU HA . 18859 1 242 . 2 2 17 17 LEU HB2 H 1 1.925 0.001 . . . . . B 17 LEU HB2 . 18859 1 243 . 2 2 17 17 LEU HB3 H 1 1.696 0.004 . . . . . B 17 LEU HB3 . 18859 1 244 . 2 2 17 17 LEU HG H 1 1.827 0.003 . . . . . B 17 LEU HG . 18859 1 245 . 2 2 17 17 LEU HD11 H 1 0.957 0.002 . . . . . B 17 LEU HD11 . 18859 1 246 . 2 2 17 17 LEU HD12 H 1 0.957 0.002 . . . . . B 17 LEU HD12 . 18859 1 247 . 2 2 17 17 LEU HD13 H 1 0.957 0.002 . . . . . B 17 LEU HD13 . 18859 1 248 . 2 2 17 17 LEU HD21 H 1 0.924 0.002 . . . . . B 17 LEU HD21 . 18859 1 249 . 2 2 17 17 LEU HD22 H 1 0.924 0.002 . . . . . B 17 LEU HD22 . 18859 1 250 . 2 2 17 17 LEU HD23 H 1 0.924 0.002 . . . . . B 17 LEU HD23 . 18859 1 251 . 2 2 18 18 VAL H H 1 8.377 0.001 . . . . . B 18 VAL H . 18859 1 252 . 2 2 18 18 VAL HA H 1 3.841 0.001 . . . . . B 18 VAL HA . 18859 1 253 . 2 2 18 18 VAL HB H 1 2.048 0.002 . . . . . B 18 VAL HB . 18859 1 254 . 2 2 18 18 VAL HG11 H 1 0.985 0.001 . . . . . B 18 VAL HG11 . 18859 1 255 . 2 2 18 18 VAL HG12 H 1 0.985 0.001 . . . . . B 18 VAL HG12 . 18859 1 256 . 2 2 18 18 VAL HG13 H 1 0.985 0.001 . . . . . B 18 VAL HG13 . 18859 1 257 . 2 2 18 18 VAL HG21 H 1 0.847 0.001 . . . . . B 18 VAL HG21 . 18859 1 258 . 2 2 18 18 VAL HG22 H 1 0.847 0.001 . . . . . B 18 VAL HG22 . 18859 1 259 . 2 2 18 18 VAL HG23 H 1 0.847 0.001 . . . . . B 18 VAL HG23 . 18859 1 260 . 2 2 19 19 CYS H H 1 8.727 0.002 . . . . . B 19 CYS H . 18859 1 261 . 2 2 19 19 CYS HA H 1 4.810 0.001 . . . . . B 19 CYS HA . 18859 1 262 . 2 2 19 19 CYS HB2 H 1 3.273 0.014 . . . . . B 19 CYS HB2 . 18859 1 263 . 2 2 19 19 CYS HB3 H 1 2.904 0.001 . . . . . B 19 CYS HB3 . 18859 1 264 . 2 2 20 20 GLY H H 1 7.715 0.001 . . . . . B 20 GLY H . 18859 1 265 . 2 2 20 20 GLY HA2 H 1 3.965 0.002 . . . . . B 20 GLY HA2 . 18859 1 266 . 2 2 20 20 GLY HA3 H 1 3.888 0.005 . . . . . B 20 GLY HA3 . 18859 1 267 . 2 2 21 21 GLU H H 1 8.733 0.003 . . . . . B 21 GLU H . 18859 1 268 . 2 2 21 21 GLU HA H 1 4.218 0.002 . . . . . B 21 GLU HA . 18859 1 269 . 2 2 21 21 GLU HB2 H 1 2.212 0.005 . . . . . B 21 GLU HB2 . 18859 1 270 . 2 2 21 21 GLU HB3 H 1 2.074 0.023 . . . . . B 21 GLU HB3 . 18859 1 271 . 2 2 21 21 GLU HG2 H 1 2.533 0.002 . . . . . B 21 GLU HG2 . 18859 1 272 . 2 2 22 22 ARG H H 1 8.075 0.003 . . . . . B 22 ARG H . 18859 1 273 . 2 2 22 22 ARG HA H 1 4.172 0.001 . . . . . B 22 ARG HA . 18859 1 274 . 2 2 22 22 ARG HB2 H 1 2.005 0.002 . . . . . B 22 ARG HB2 . 18859 1 275 . 2 2 22 22 ARG HG2 H 1 1.797 0.003 . . . . . B 22 ARG HG2 . 18859 1 276 . 2 2 22 22 ARG HG3 H 1 1.797 0.003 . . . . . B 22 ARG HG3 . 18859 1 277 . 2 2 22 22 ARG HD2 H 1 3.287 0.001 . . . . . B 22 ARG HD2 . 18859 1 278 . 2 2 22 22 ARG HD3 H 1 3.287 0.001 . . . . . B 22 ARG HD3 . 18859 1 279 . 2 2 22 22 ARG HE H 1 7.167 0.001 . . . . . B 22 ARG HE . 18859 1 280 . 2 2 24 24 PHE H H 1 7.711 0.002 . . . . . B 24 PHE H . 18859 1 281 . 2 2 24 24 PHE HA H 1 5.049 0.005 . . . . . B 24 PHE HA . 18859 1 282 . 2 2 24 24 PHE HB2 H 1 3.167 0.001 . . . . . B 24 PHE HB2 . 18859 1 283 . 2 2 24 24 PHE HB3 H 1 2.905 0.001 . . . . . B 24 PHE HB3 . 18859 1 284 . 2 2 24 24 PHE HD1 H 1 6.778 0.002 . . . . . B 24 PHE HD1 . 18859 1 285 . 2 2 24 24 PHE HD2 H 1 6.778 0.002 . . . . . B 24 PHE HD2 . 18859 1 286 . 2 2 24 24 PHE HE1 H 1 6.955 0.002 . . . . . B 24 PHE HE1 . 18859 1 287 . 2 2 24 24 PHE HE2 H 1 6.955 0.002 . . . . . B 24 PHE HE2 . 18859 1 288 . 2 2 24 24 PHE HZ H 1 7.032 0.001 . . . . . B 24 PHE HZ . 18859 1 289 . 2 2 25 25 PHE H H 1 8.472 0.004 . . . . . B 25 PHE H . 18859 1 290 . 2 2 25 25 PHE HB2 H 1 3.142 0.002 . . . . . B 25 PHE HB2 . 18859 1 291 . 2 2 26 26 TYR H H 1 8.203 0.002 . . . . . B 26 TYR H . 18859 1 292 . 2 2 26 26 TYR HA H 1 4.630 0.001 . . . . . B 26 TYR HA . 18859 1 293 . 2 2 26 26 TYR HB2 H 1 2.955 0.003 . . . . . B 26 TYR HB2 . 18859 1 294 . 2 2 26 26 TYR HD1 H 1 7.004 0.001 . . . . . B 26 TYR HD1 . 18859 1 295 . 2 2 26 26 TYR HD2 H 1 7.004 0.001 . . . . . B 26 TYR HD2 . 18859 1 296 . 2 2 26 26 TYR HE1 H 1 6.704 0.001 . . . . . B 26 TYR HE1 . 18859 1 297 . 2 2 26 26 TYR HE2 H 1 6.704 0.001 . . . . . B 26 TYR HE2 . 18859 1 298 . 2 2 27 27 THR H H 1 7.773 0.002 . . . . . B 27 THR H . 18859 1 299 . 2 2 27 27 THR HA H 1 4.379 0.002 . . . . . B 27 THR HA . 18859 1 300 . 2 2 27 27 THR HB H 1 4.091 0.002 . . . . . B 27 THR HB . 18859 1 301 . 2 2 27 27 THR HG21 H 1 1.162 0.001 . . . . . B 27 THR HG21 . 18859 1 302 . 2 2 27 27 THR HG22 H 1 1.162 0.001 . . . . . B 27 THR HG22 . 18859 1 303 . 2 2 27 27 THR HG23 H 1 1.162 0.001 . . . . . B 27 THR HG23 . 18859 1 304 . 2 2 28 28 LYS H H 1 8.284 0.001 . . . . . B 28 LYS H . 18859 1 305 . 2 2 28 28 LYS HA H 1 4.385 0.002 . . . . . B 28 LYS HA . 18859 1 306 . 2 2 28 28 LYS HB2 H 1 1.793 0.004 . . . . . B 28 LYS HB2 . 18859 1 307 . 2 2 28 28 LYS HB3 H 1 1.718 0.003 . . . . . B 28 LYS HB3 . 18859 1 308 . 2 2 28 28 LYS HG2 H 1 1.431 0.003 . . . . . B 28 LYS HG2 . 18859 1 309 . 2 2 28 28 LYS HG3 H 1 1.431 0.003 . . . . . B 28 LYS HG3 . 18859 1 310 . 2 2 28 28 LYS HD2 H 1 1.648 0.004 . . . . . B 28 LYS HD2 . 18859 1 311 . 2 2 28 28 LYS HD3 H 1 1.648 0.004 . . . . . B 28 LYS HD3 . 18859 1 312 . 2 2 28 28 LYS HE2 H 1 2.949 0.004 . . . . . B 28 LYS HE2 . 18859 1 313 . 2 2 28 28 LYS HE3 H 1 2.949 0.004 . . . . . B 28 LYS HE3 . 18859 1 314 . 2 2 29 29 PRO HA H 1 4.473 0.001 . . . . . B 29 PRO HA . 18859 1 315 . 2 2 29 29 PRO HB2 H 1 2.252 0.001 . . . . . B 29 PRO HB2 . 18859 1 316 . 2 2 29 29 PRO HB3 H 1 1.949 0.002 . . . . . B 29 PRO HB3 . 18859 1 317 . 2 2 29 29 PRO HD2 H 1 3.722 0.002 . . . . . B 29 PRO HD2 . 18859 1 318 . 2 2 29 29 PRO HD3 H 1 3.596 0.003 . . . . . B 29 PRO HD3 . 18859 1 319 . 2 2 30 30 THR H H 1 8.048 0.001 . . . . . B 30 THR H . 18859 1 320 . 2 2 30 30 THR HA H 1 4.312 0.002 . . . . . B 30 THR HA . 18859 1 321 . 2 2 30 30 THR HG21 H 1 1.203 0.001 . . . . . B 30 THR HG21 . 18859 1 322 . 2 2 30 30 THR HG22 H 1 1.203 0.001 . . . . . B 30 THR HG22 . 18859 1 323 . 2 2 30 30 THR HG23 H 1 1.203 0.001 . . . . . B 30 THR HG23 . 18859 1 stop_ save_