################################### # 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 18925 _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 0.005 _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' . . . 18925 1 2 '2D 1H-1H NOESY' . . . 18925 1 3 '2D DQF-COSY' . . . 18925 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 2 2 ILE HG12 H 1 1.262 0.010 . 1 . . . A 2 ILE HG12 . 18925 1 2 . 1 1 2 2 ILE HG13 H 1 1.018 0.010 . 1 . . . A 2 ILE HG13 . 18925 1 3 . 1 1 2 2 ILE HG21 H 1 0.808 0.010 . 1 . . . A 2 ILE HG21 . 18925 1 4 . 1 1 2 2 ILE HG22 H 1 0.808 0.010 . 1 . . . A 2 ILE HG22 . 18925 1 5 . 1 1 2 2 ILE HG23 H 1 0.808 0.010 . 1 . . . A 2 ILE HG23 . 18925 1 6 . 1 1 2 2 ILE HD11 H 1 0.717 0.010 . 1 . . . A 2 ILE HD11 . 18925 1 7 . 1 1 2 2 ILE HD12 H 1 0.717 0.010 . 1 . . . A 2 ILE HD12 . 18925 1 8 . 1 1 2 2 ILE HD13 H 1 0.717 0.010 . 1 . . . A 2 ILE HD13 . 18925 1 9 . 1 1 3 3 VAL H H 1 8.235 0.010 . 1 . . . A 3 VAL H . 18925 1 10 . 1 1 3 3 VAL HA H 1 3.742 0.010 . 1 . . . A 3 VAL HA . 18925 1 11 . 1 1 3 3 VAL HB H 1 1.987 0.010 . 1 . . . A 3 VAL HB . 18925 1 12 . 1 1 3 3 VAL HG11 H 1 0.944 0.010 . 1 . . . A 3 VAL HG11 . 18925 1 13 . 1 1 3 3 VAL HG12 H 1 0.944 0.010 . 1 . . . A 3 VAL HG12 . 18925 1 14 . 1 1 3 3 VAL HG13 H 1 0.944 0.010 . 1 . . . A 3 VAL HG13 . 18925 1 15 . 1 1 3 3 VAL HG21 H 1 0.916 0.010 . 1 . . . A 3 VAL HG21 . 18925 1 16 . 1 1 3 3 VAL HG22 H 1 0.916 0.010 . 1 . . . A 3 VAL HG22 . 18925 1 17 . 1 1 3 3 VAL HG23 H 1 0.916 0.010 . 1 . . . A 3 VAL HG23 . 18925 1 18 . 1 1 4 4 GLU H H 1 8.415 0.010 . 1 . . . A 4 GLU H . 18925 1 19 . 1 1 4 4 GLU HA H 1 4.206 0.010 . 1 . . . A 4 GLU HA . 18925 1 20 . 1 1 4 4 GLU HB2 H 1 2.099 0.010 . 1 . . . A 4 GLU HB2 . 18925 1 21 . 1 1 4 4 GLU HB3 H 1 1.987 0.010 . 1 . . . A 4 GLU HB3 . 18925 1 22 . 1 1 4 4 GLU HG2 H 1 2.439 0.010 . 1 . . . A 4 GLU HG2 . 18925 1 23 . 1 1 4 4 GLU HG3 H 1 2.291 0.010 . 1 . . . A 4 GLU HG3 . 18925 1 24 . 1 1 6 6 CYS HA H 1 5.125 0.010 . 1 . . . A 6 CYS HA . 18925 1 25 . 1 1 6 6 CYS HB2 H 1 2.922 0.010 . 1 . . . A 6 CYS HB2 . 18925 1 26 . 1 1 6 6 CYS HB3 H 1 3.458 0.010 . 1 . . . A 6 CYS HB3 . 18925 1 27 . 1 1 7 7 CYS HA H 1 4.900 0.010 . 1 . . . A 7 CYS HA . 18925 1 28 . 1 1 7 7 CYS HB2 H 1 3.324 0.010 . 1 . . . A 7 CYS HB2 . 18925 1 29 . 1 1 7 7 CYS HB3 H 1 3.719 0.010 . 1 . . . A 7 CYS HB3 . 18925 1 30 . 1 1 8 8 THR HA H 1 4.217 0.010 . 1 . . . A 8 THR HA . 18925 1 31 . 1 1 8 8 THR HB H 1 4.470 0.010 . 1 . . . A 8 THR HB . 18925 1 32 . 1 1 8 8 THR HG21 H 1 1.278 0.010 . 1 . . . A 8 THR HG21 . 18925 1 33 . 1 1 8 8 THR HG22 H 1 1.278 0.010 . 1 . . . A 8 THR HG22 . 18925 1 34 . 1 1 8 8 THR HG23 H 1 1.278 0.010 . 1 . . . A 8 THR HG23 . 18925 1 35 . 1 1 9 9 SER HA H 1 4.702 0.010 . 1 . . . A 9 SER HA . 18925 1 36 . 1 1 9 9 SER HB2 H 1 3.969 0.010 . 1 . . . A 9 SER HB2 . 18925 1 37 . 1 1 9 9 SER HB3 H 1 3.870 0.010 . 1 . . . A 9 SER HB3 . 18925 1 38 . 1 1 10 10 ILE H H 1 7.901 0.010 . 1 . . . A 10 ILE H . 18925 1 39 . 1 1 10 10 ILE HA H 1 4.222 0.010 . 1 . . . A 10 ILE HA . 18925 1 40 . 1 1 10 10 ILE HB H 1 1.647 0.010 . 1 . . . A 10 ILE HB . 18925 1 41 . 1 1 10 10 ILE HG12 H 1 1.162 0.010 . 1 . . . A 10 ILE HG12 . 18925 1 42 . 1 1 10 10 ILE HG13 H 1 1.162 0.010 . 1 . . . A 10 ILE HG13 . 18925 1 43 . 1 1 10 10 ILE HG21 H 1 0.714 0.010 . 1 . . . A 10 ILE HG21 . 18925 1 44 . 1 1 10 10 ILE HG22 H 1 0.714 0.010 . 1 . . . A 10 ILE HG22 . 18925 1 45 . 1 1 10 10 ILE HG23 H 1 0.714 0.010 . 1 . . . A 10 ILE HG23 . 18925 1 46 . 1 1 10 10 ILE HD11 H 1 0.565 0.010 . 1 . . . A 10 ILE HD11 . 18925 1 47 . 1 1 10 10 ILE HD12 H 1 0.565 0.010 . 1 . . . A 10 ILE HD12 . 18925 1 48 . 1 1 10 10 ILE HD13 H 1 0.565 0.010 . 1 . . . A 10 ILE HD13 . 18925 1 49 . 1 1 11 11 CYS HB2 H 1 3.268 0.010 . 1 . . . A 11 CYS HB2 . 18925 1 50 . 1 1 12 12 SER H H 1 8.616 0.010 . 1 . . . A 12 SER H . 18925 1 51 . 1 1 12 12 SER HA H 1 4.629 0.010 . 1 . . . A 12 SER HA . 18925 1 52 . 1 1 12 12 SER HB2 H 1 4.190 0.010 . 1 . . . A 12 SER HB2 . 18925 1 53 . 1 1 12 12 SER HB3 H 1 4.034 0.010 . 1 . . . A 12 SER HB3 . 18925 1 54 . 1 1 13 13 LEU H H 1 8.709 0.010 . 1 . . . A 13 LEU H . 18925 1 55 . 1 1 13 13 LEU HA H 1 3.997 0.010 . 1 . . . A 13 LEU HA . 18925 1 56 . 1 1 13 13 LEU HB2 H 1 1.530 0.010 . 1 . . . A 13 LEU HB2 . 18925 1 57 . 1 1 13 13 LEU HB3 H 1 1.530 0.010 . 1 . . . A 13 LEU HB3 . 18925 1 58 . 1 1 13 13 LEU HG H 1 1.608 0.010 . 1 . . . A 13 LEU HG . 18925 1 59 . 1 1 13 13 LEU HD11 H 1 0.916 0.010 . 1 . . . A 13 LEU HD11 . 18925 1 60 . 1 1 13 13 LEU HD12 H 1 0.916 0.010 . 1 . . . A 13 LEU HD12 . 18925 1 61 . 1 1 13 13 LEU HD13 H 1 0.916 0.010 . 1 . . . A 13 LEU HD13 . 18925 1 62 . 1 1 13 13 LEU HD21 H 1 0.916 0.010 . 1 . . . A 13 LEU HD21 . 18925 1 63 . 1 1 13 13 LEU HD22 H 1 0.916 0.010 . 1 . . . A 13 LEU HD22 . 18925 1 64 . 1 1 13 13 LEU HD23 H 1 0.916 0.010 . 1 . . . A 13 LEU HD23 . 18925 1 65 . 1 1 14 14 TYR H H 1 7.742 0.010 . 1 . . . A 14 TYR H . 18925 1 66 . 1 1 14 14 TYR HA H 1 4.392 0.010 . 1 . . . A 14 TYR HA . 18925 1 67 . 1 1 14 14 TYR HB2 H 1 3.040 0.010 . 1 . . . A 14 TYR HB2 . 18925 1 68 . 1 1 14 14 TYR HB3 H 1 3.040 0.010 . 1 . . . A 14 TYR HB3 . 18925 1 69 . 1 1 14 14 TYR HD1 H 1 7.151 0.010 . 1 . . . A 14 TYR HD1 . 18925 1 70 . 1 1 14 14 TYR HD2 H 1 7.151 0.010 . 1 . . . A 14 TYR HD2 . 18925 1 71 . 1 1 14 14 TYR HE1 H 1 6.885 0.010 . 1 . . . A 14 TYR HE1 . 18925 1 72 . 1 1 14 14 TYR HE2 H 1 6.885 0.010 . 1 . . . A 14 TYR HE2 . 18925 1 73 . 1 1 15 15 GLN H H 1 7.606 0.010 . 1 . . . A 15 GLN H . 18925 1 74 . 1 1 15 15 GLN HA H 1 4.021 0.010 . 1 . . . A 15 GLN HA . 18925 1 75 . 1 1 15 15 GLN HB2 H 1 2.264 0.010 . 1 . . . A 15 GLN HB2 . 18925 1 76 . 1 1 15 15 GLN HB3 H 1 2.081 0.010 . 1 . . . A 15 GLN HB3 . 18925 1 77 . 1 1 15 15 GLN HG2 H 1 2.428 0.010 . 1 . . . A 15 GLN HG2 . 18925 1 78 . 1 1 15 15 GLN HG3 H 1 2.355 0.010 . 1 . . . A 15 GLN HG3 . 18925 1 79 . 1 1 15 15 GLN HE21 H 1 7.005 0.010 . 1 . . . A 15 GLN HE21 . 18925 1 80 . 1 1 15 15 GLN HE22 H 1 7.559 0.010 . 1 . . . A 15 GLN HE22 . 18925 1 81 . 1 1 16 16 LEU H H 1 7.966 0.010 . 1 . . . A 16 LEU H . 18925 1 82 . 1 1 16 16 LEU HA H 1 4.215 0.010 . 1 . . . A 16 LEU HA . 18925 1 83 . 1 1 16 16 LEU HB2 H 1 1.996 0.010 . 1 . . . A 16 LEU HB2 . 18925 1 84 . 1 1 16 16 LEU HB3 H 1 1.523 0.010 . 1 . . . A 16 LEU HB3 . 18925 1 85 . 1 1 16 16 LEU HG H 1 1.806 0.010 . 1 . . . A 16 LEU HG . 18925 1 86 . 1 1 16 16 LEU HD11 H 1 0.850 0.010 . 1 . . . A 16 LEU HD11 . 18925 1 87 . 1 1 16 16 LEU HD12 H 1 0.850 0.010 . 1 . . . A 16 LEU HD12 . 18925 1 88 . 1 1 16 16 LEU HD13 H 1 0.850 0.010 . 1 . . . A 16 LEU HD13 . 18925 1 89 . 1 1 16 16 LEU HD21 H 1 0.850 0.010 . 1 . . . A 16 LEU HD21 . 18925 1 90 . 1 1 16 16 LEU HD22 H 1 0.850 0.010 . 1 . . . A 16 LEU HD22 . 18925 1 91 . 1 1 16 16 LEU HD23 H 1 0.850 0.010 . 1 . . . A 16 LEU HD23 . 18925 1 92 . 1 1 17 17 GLU H H 1 8.225 0.010 . 1 . . . A 17 GLU H . 18925 1 93 . 1 1 17 17 GLU HA H 1 4.145 0.010 . 1 . . . A 17 GLU HA . 18925 1 94 . 1 1 17 17 GLU HB2 H 1 2.088 0.010 . 1 . . . A 17 GLU HB2 . 18925 1 95 . 1 1 17 17 GLU HB3 H 1 1.978 0.010 . 1 . . . A 17 GLU HB3 . 18925 1 96 . 1 1 17 17 GLU HG2 H 1 2.425 0.010 . 1 . . . A 17 GLU HG2 . 18925 1 97 . 1 1 17 17 GLU HG3 H 1 2.186 0.010 . 1 . . . A 17 GLU HG3 . 18925 1 98 . 1 1 18 18 ASN H H 1 7.503 0.010 . 1 . . . A 18 ASN H . 18925 1 99 . 1 1 18 18 ASN HA H 1 4.523 0.010 . 1 . . . A 18 ASN HA . 18925 1 100 . 1 1 18 18 ASN HB2 H 1 2.591 0.010 . 1 . . . A 18 ASN HB2 . 18925 1 101 . 1 1 18 18 ASN HB3 H 1 2.591 0.010 . 1 . . . A 18 ASN HB3 . 18925 1 102 . 1 1 18 18 ASN HD21 H 1 6.641 0.010 . 1 . . . A 18 ASN HD21 . 18925 1 103 . 1 1 18 18 ASN HD22 H 1 7.250 0.010 . 1 . . . A 18 ASN HD22 . 18925 1 104 . 1 1 19 19 TYR H H 1 7.996 0.010 . 1 . . . A 19 TYR H . 18925 1 105 . 1 1 19 19 TYR HA H 1 4.578 0.010 . 1 . . . A 19 TYR HA . 18925 1 106 . 1 1 19 19 TYR HB2 H 1 3.354 0.010 . 1 . . . A 19 TYR HB2 . 18925 1 107 . 1 1 19 19 TYR HB3 H 1 3.032 0.010 . 1 . . . A 19 TYR HB3 . 18925 1 108 . 1 1 19 19 TYR HD1 H 1 7.307 0.010 . 1 . . . A 19 TYR HD1 . 18925 1 109 . 1 1 19 19 TYR HD2 H 1 7.307 0.010 . 1 . . . A 19 TYR HD2 . 18925 1 110 . 1 1 19 19 TYR HE1 H 1 6.812 0.010 . 1 . . . A 19 TYR HE1 . 18925 1 111 . 1 1 19 19 TYR HE2 H 1 6.812 0.010 . 1 . . . A 19 TYR HE2 . 18925 1 112 . 1 1 20 20 CYS H H 1 7.606 0.010 . 1 . . . A 20 CYS H . 18925 1 113 . 1 1 20 20 CYS HB2 H 1 2.931 0.010 . 1 . . . A 20 CYS HB2 . 18925 1 114 . 1 1 20 20 CYS HB3 H 1 3.348 0.010 . 1 . . . A 20 CYS HB3 . 18925 1 115 . 1 1 21 21 ASN H H 1 7.988 0.010 . 1 . . . A 21 ASN H . 18925 1 116 . 1 1 21 21 ASN HA H 1 4.525 0.010 . 1 . . . A 21 ASN HA . 18925 1 117 . 1 1 21 21 ASN HB2 H 1 2.800 0.010 . 1 . . . A 21 ASN HB2 . 18925 1 118 . 1 1 21 21 ASN HB3 H 1 2.638 0.010 . 1 . . . A 21 ASN HB3 . 18925 1 119 . 1 1 21 21 ASN HD21 H 1 6.739 0.010 . 1 . . . A 21 ASN HD21 . 18925 1 120 . 1 1 21 21 ASN HD22 H 1 7.356 0.010 . 1 . . . A 21 ASN HD22 . 18925 1 121 . 2 2 1 1 PHE HA H 1 3.836 0.010 . 1 . . . B 1 PHE HA . 18925 1 122 . 2 2 1 1 PHE HB2 H 1 3.038 0.010 . 1 . . . B 1 PHE HB2 . 18925 1 123 . 2 2 1 1 PHE HB3 H 1 2.990 0.010 . 1 . . . B 1 PHE HB3 . 18925 1 124 . 2 2 1 1 PHE HD1 H 1 7.194 0.010 . 1 . . . B 1 PHE QD . 18925 1 125 . 2 2 1 1 PHE HD2 H 1 7.194 0.010 . 1 . . . B 1 PHE QD . 18925 1 126 . 2 2 1 1 PHE HE1 H 1 7.315 0.010 . 1 . . . B 1 PHE QE . 18925 1 127 . 2 2 1 1 PHE HE2 H 1 7.315 0.010 . 1 . . . B 1 PHE QE . 18925 1 128 . 2 2 2 2 VAL HA H 1 4.043 0.010 . 1 . . . B 2 VAL HA . 18925 1 129 . 2 2 2 2 VAL HB H 1 1.964 0.010 . 1 . . . B 2 VAL HB . 18925 1 130 . 2 2 2 2 VAL HG11 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 131 . 2 2 2 2 VAL HG12 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 132 . 2 2 2 2 VAL HG13 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 133 . 2 2 2 2 VAL HG21 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 134 . 2 2 2 2 VAL HG22 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 135 . 2 2 2 2 VAL HG23 H 1 0.845 0.010 . 1 . . . B 2 VAL QQG . 18925 1 136 . 2 2 3 3 ASN HA H 1 4.589 0.010 . 1 . . . B 3 ASN HA . 18925 1 137 . 2 2 3 3 ASN HB2 H 1 2.787 0.010 . 1 . . . B 3 ASN HB2 . 18925 1 138 . 2 2 3 3 ASN HB3 H 1 2.864 0.010 . 1 . . . B 3 ASN HB3 . 18925 1 139 . 2 2 3 3 ASN HD22 H 1 7.589 0.010 . 1 . . . B 3 ASN HD22 . 18925 1 140 . 2 2 4 4 GLN HA H 1 4.479 0.010 . 1 . . . B 4 GLN HA . 18925 1 141 . 2 2 4 4 GLN HB2 H 1 2.080 0.010 . 1 . . . B 4 GLN HB2 . 18925 1 142 . 2 2 4 4 GLN HB3 H 1 1.964 0.010 . 1 . . . B 4 GLN HB3 . 18925 1 143 . 2 2 4 4 GLN HG2 H 1 2.249 0.010 . 1 . . . B 4 GLN HG2 . 18925 1 144 . 2 2 4 4 GLN HG3 H 1 2.175 0.010 . 1 . . . B 4 GLN HG3 . 18925 1 145 . 2 2 4 4 GLN HE21 H 1 7.419 0.010 . 1 . . . B 4 GLN HE21 . 18925 1 146 . 2 2 5 5 HIS HA H 1 4.422 0.010 . 1 . . . B 5 HIS HA . 18925 1 147 . 2 2 5 5 HIS HB2 H 1 3.389 0.010 . 1 . . . B 5 HIS HB2 . 18925 1 148 . 2 2 5 5 HIS HB3 H 1 3.076 0.010 . 1 . . . B 5 HIS HB3 . 18925 1 149 . 2 2 5 5 HIS HD2 H 1 6.888 0.010 . 1 . . . B 5 HIS HD2 . 18925 1 150 . 2 2 5 5 HIS HE1 H 1 7.710 0.010 . 1 . . . B 5 HIS HE1 . 18925 1 151 . 2 2 6 6 LEU HA H 1 4.570 0.010 . 1 . . . B 6 LEU HA . 18925 1 152 . 2 2 6 6 LEU HB2 H 1 1.780 0.010 . 1 . . . B 6 LEU HB2 . 18925 1 153 . 2 2 6 6 LEU HB3 H 1 1.635 0.010 . 1 . . . B 6 LEU HB3 . 18925 1 154 . 2 2 6 6 LEU HG H 1 1.648 0.010 . 1 . . . B 6 LEU HG . 18925 1 155 . 2 2 6 6 LEU HD11 H 1 0.933 0.010 . 1 . . . B 6 LEU QD1 . 18925 1 156 . 2 2 6 6 LEU HD12 H 1 0.933 0.010 . 1 . . . B 6 LEU QD1 . 18925 1 157 . 2 2 6 6 LEU HD13 H 1 0.933 0.010 . 1 . . . B 6 LEU QD1 . 18925 1 158 . 2 2 6 6 LEU HD21 H 1 0.795 0.010 . 1 . . . B 6 LEU QD2 . 18925 1 159 . 2 2 6 6 LEU HD22 H 1 0.795 0.010 . 1 . . . B 6 LEU QD2 . 18925 1 160 . 2 2 6 6 LEU HD23 H 1 0.795 0.010 . 1 . . . B 6 LEU QD2 . 18925 1 161 . 2 2 7 7 CYS H H 1 8.521 0.010 . 1 . . . B 7 CYS H . 18925 1 162 . 2 2 7 7 CYS HA H 1 4.963 0.010 . 1 . . . B 7 CYS HA . 18925 1 163 . 2 2 7 7 CYS HB2 H 1 3.272 0.010 . 1 . . . B 7 CYS HB2 . 18925 1 164 . 2 2 7 7 CYS HB3 H 1 3.034 0.010 . 1 . . . B 7 CYS HB3 . 18925 1 165 . 2 2 10 10 HIS HA H 1 4.517 0.010 . 1 . . . B 10 HIS HA . 18925 1 166 . 2 2 10 10 HIS HB2 H 1 3.363 0.010 . 1 . . . B 10 HIS HB2 . 18925 1 167 . 2 2 10 10 HIS HB3 H 1 3.221 0.010 . 1 . . . B 10 HIS HB3 . 18925 1 168 . 2 2 10 10 HIS HD2 H 1 7.181 0.010 . 1 . . . B 10 HIS HD2 . 18925 1 169 . 2 2 10 10 HIS HE1 H 1 7.818 0.010 . 1 . . . B 10 HIS HE1 . 18925 1 170 . 2 2 11 11 LEU H H 1 7.155 0.010 . 1 . . . B 11 LEU H . 18925 1 171 . 2 2 11 11 LEU HA H 1 4.098 0.010 . 1 . . . B 11 LEU HA . 18925 1 172 . 2 2 11 11 LEU HB2 H 1 1.841 0.010 . 1 . . . B 11 LEU HB2 . 18925 1 173 . 2 2 11 11 LEU HB3 H 1 1.377 0.010 . 1 . . . B 11 LEU HB3 . 18925 1 174 . 2 2 11 11 LEU HG H 1 1.406 0.010 . 1 . . . B 11 LEU HG . 18925 1 175 . 2 2 11 11 LEU HD11 H 1 0.856 0.010 . 1 . . . B 11 LEU QD1 . 18925 1 176 . 2 2 11 11 LEU HD12 H 1 0.856 0.010 . 1 . . . B 11 LEU QD1 . 18925 1 177 . 2 2 11 11 LEU HD13 H 1 0.856 0.010 . 1 . . . B 11 LEU QD1 . 18925 1 178 . 2 2 11 11 LEU HD21 H 1 0.802 0.010 . 1 . . . B 11 LEU QD2 . 18925 1 179 . 2 2 11 11 LEU HD22 H 1 0.802 0.010 . 1 . . . B 11 LEU QD2 . 18925 1 180 . 2 2 11 11 LEU HD23 H 1 0.802 0.010 . 1 . . . B 11 LEU QD2 . 18925 1 181 . 2 2 12 12 VAL H H 1 7.194 0.010 . 1 . . . B 12 VAL H . 18925 1 182 . 2 2 12 12 VAL HA H 1 3.455 0.010 . 1 . . . B 12 VAL HA . 18925 1 183 . 2 2 12 12 VAL HB H 1 2.152 0.010 . 1 . . . B 12 VAL HB . 18925 1 184 . 2 2 12 12 VAL HG11 H 1 1.014 0.010 . 1 . . . B 12 VAL QG1 . 18925 1 185 . 2 2 12 12 VAL HG12 H 1 1.014 0.010 . 1 . . . B 12 VAL QG1 . 18925 1 186 . 2 2 12 12 VAL HG13 H 1 1.014 0.010 . 1 . . . B 12 VAL QG1 . 18925 1 187 . 2 2 12 12 VAL HG21 H 1 0.975 0.010 . 1 . . . B 12 VAL QG2 . 18925 1 188 . 2 2 12 12 VAL HG22 H 1 0.975 0.010 . 1 . . . B 12 VAL QG2 . 18925 1 189 . 2 2 12 12 VAL HG23 H 1 0.975 0.010 . 1 . . . B 12 VAL QG2 . 18925 1 190 . 2 2 13 13 GLU H H 1 8.011 0.010 . 1 . . . B 13 GLU H . 18925 1 191 . 2 2 13 13 GLU HA H 1 4.092 0.010 . 1 . . . B 13 GLU HA . 18925 1 192 . 2 2 13 13 GLU HB2 H 1 2.129 0.010 . 1 . . . B 13 GLU QB . 18925 1 193 . 2 2 13 13 GLU HB3 H 1 2.129 0.010 . 1 . . . B 13 GLU QB . 18925 1 194 . 2 2 13 13 GLU HG2 H 1 2.464 0.010 . 1 . . . B 13 GLU HG2 . 18925 1 195 . 2 2 13 13 GLU HG3 H 1 2.326 0.010 . 1 . . . B 13 GLU HG3 . 18925 1 196 . 2 2 14 14 ALA H H 1 7.791 0.010 . 1 . . . B 14 ALA H . 18925 1 197 . 2 2 14 14 ALA HA H 1 4.125 0.010 . 1 . . . B 14 ALA HA . 18925 1 198 . 2 2 14 14 ALA HB1 H 1 1.448 0.010 . 1 . . . B 14 ALA QB . 18925 1 199 . 2 2 14 14 ALA HB2 H 1 1.448 0.010 . 1 . . . B 14 ALA QB . 18925 1 200 . 2 2 14 14 ALA HB3 H 1 1.448 0.010 . 1 . . . B 14 ALA QB . 18925 1 201 . 2 2 15 15 LEU H H 1 8.236 0.010 . 1 . . . B 15 LEU H . 18925 1 202 . 2 2 15 15 LEU HA H 1 3.969 0.010 . 1 . . . B 15 LEU HA . 18925 1 203 . 2 2 15 15 LEU HB2 H 1 1.592 0.010 . 1 . . . B 15 LEU HB2 . 18925 1 204 . 2 2 15 15 LEU HB3 H 1 1.143 0.010 . 1 . . . B 15 LEU HB3 . 18925 1 205 . 2 2 15 15 LEU HG H 1 1.611 0.010 . 1 . . . B 15 LEU HG . 18925 1 206 . 2 2 15 15 LEU HD11 H 1 0.748 0.010 . 1 . . . B 15 LEU QD1 . 18925 1 207 . 2 2 15 15 LEU HD12 H 1 0.748 0.010 . 1 . . . B 15 LEU QD1 . 18925 1 208 . 2 2 15 15 LEU HD13 H 1 0.748 0.010 . 1 . . . B 15 LEU QD1 . 18925 1 209 . 2 2 15 15 LEU HD21 H 1 0.613 0.010 . 1 . . . B 15 LEU QD2 . 18925 1 210 . 2 2 15 15 LEU HD22 H 1 0.613 0.010 . 1 . . . B 15 LEU QD2 . 18925 1 211 . 2 2 15 15 LEU HD23 H 1 0.613 0.010 . 1 . . . B 15 LEU QD2 . 18925 1 212 . 2 2 16 16 TYR H H 1 8.079 0.010 . 1 . . . B 16 TYR H . 18925 1 213 . 2 2 16 16 TYR HA H 1 4.246 0.010 . 1 . . . B 16 TYR HA . 18925 1 214 . 2 2 16 16 TYR HB2 H 1 3.130 0.010 . 1 . . . B 16 TYR QB . 18925 1 215 . 2 2 16 16 TYR HB3 H 1 3.130 0.010 . 1 . . . B 16 TYR QB . 18925 1 216 . 2 2 16 16 TYR HD1 H 1 7.115 0.010 . 1 . . . B 16 TYR QD . 18925 1 217 . 2 2 16 16 TYR HD2 H 1 7.115 0.010 . 1 . . . B 16 TYR QD . 18925 1 218 . 2 2 16 16 TYR HE1 H 1 6.779 0.010 . 1 . . . B 16 TYR QE . 18925 1 219 . 2 2 16 16 TYR HE2 H 1 6.779 0.010 . 1 . . . B 16 TYR QE . 18925 1 220 . 2 2 17 17 LEU H H 1 7.678 0.010 . 1 . . . B 17 LEU H . 18925 1 221 . 2 2 17 17 LEU HA H 1 4.177 0.010 . 1 . . . B 17 LEU HA . 18925 1 222 . 2 2 17 17 LEU HB2 H 1 1.937 0.010 . 1 . . . B 17 LEU HB2 . 18925 1 223 . 2 2 17 17 LEU HB3 H 1 1.763 0.010 . 1 . . . B 17 LEU HB3 . 18925 1 224 . 2 2 17 17 LEU HG H 1 1.804 0.010 . 1 . . . B 17 LEU HG . 18925 1 225 . 2 2 17 17 LEU HD11 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 226 . 2 2 17 17 LEU HD12 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 227 . 2 2 17 17 LEU HD13 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 228 . 2 2 17 17 LEU HD21 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 229 . 2 2 17 17 LEU HD22 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 230 . 2 2 17 17 LEU HD23 H 1 0.969 0.010 . 1 . . . B 17 LEU QQD . 18925 1 231 . 2 2 18 18 VAL H H 1 8.340 0.010 . 1 . . . B 18 VAL H . 18925 1 232 . 2 2 18 18 VAL HA H 1 3.886 0.010 . 1 . . . B 18 VAL HA . 18925 1 233 . 2 2 18 18 VAL HB H 1 2.087 0.010 . 1 . . . B 18 VAL HB . 18925 1 234 . 2 2 18 18 VAL HG11 H 1 1.040 0.010 . 1 . . . B 18 VAL QG1 . 18925 1 235 . 2 2 18 18 VAL HG12 H 1 1.040 0.010 . 1 . . . B 18 VAL QG1 . 18925 1 236 . 2 2 18 18 VAL HG13 H 1 1.040 0.010 . 1 . . . B 18 VAL QG1 . 18925 1 237 . 2 2 18 18 VAL HG21 H 1 0.938 0.010 . 1 . . . B 18 VAL QG2 . 18925 1 238 . 2 2 18 18 VAL HG22 H 1 0.938 0.010 . 1 . . . B 18 VAL QG2 . 18925 1 239 . 2 2 18 18 VAL HG23 H 1 0.938 0.010 . 1 . . . B 18 VAL QG2 . 18925 1 240 . 2 2 19 19 CYS H H 1 8.734 0.010 . 1 . . . B 19 CYS H . 18925 1 241 . 2 2 19 19 CYS HA H 1 4.849 0.010 . 1 . . . B 19 CYS HA . 18925 1 242 . 2 2 19 19 CYS HB2 H 1 3.354 0.010 . 1 . . . B 19 CYS HB2 . 18925 1 243 . 2 2 19 19 CYS HB3 H 1 2.888 0.010 . 1 . . . B 19 CYS HB3 . 18925 1 244 . 2 2 20 20 GLY H H 1 7.897 0.010 . 1 . . . B 20 GLY H . 18925 1 245 . 2 2 20 20 GLY HA2 H 1 4.030 0.010 . 1 . . . B 20 GLY HA2 . 18925 1 246 . 2 2 20 20 GLY HA3 H 1 3.861 0.010 . 1 . . . B 20 GLY HA3 . 18925 1 247 . 2 2 21 21 GLU HA H 1 4.309 0.010 . 1 . . . B 21 GLU HA . 18925 1 248 . 2 2 21 21 GLU HB2 H 1 2.174 0.010 . 1 . . . B 21 GLU HB2 . 18925 1 249 . 2 2 21 21 GLU HB3 H 1 2.026 0.010 . 1 . . . B 21 GLU HB3 . 18925 1 250 . 2 2 21 21 GLU HG2 H 1 2.363 0.010 . 1 . . . B 21 GLU HG2 . 18925 1 251 . 2 2 21 21 GLU HG3 H 1 2.293 0.010 . 1 . . . B 21 GLU HG3 . 18925 1 252 . 2 2 22 22 ARG H H 1 8.072 0.010 . 1 . . . B 22 ARG H . 18925 1 253 . 2 2 22 22 ARG HA H 1 4.375 0.010 . 1 . . . B 22 ARG HA . 18925 1 254 . 2 2 22 22 ARG HB2 H 1 2.086 0.010 . 1 . . . B 22 ARG HB2 . 18925 1 255 . 2 2 22 22 ARG HB3 H 1 1.874 0.010 . 1 . . . B 22 ARG HB3 . 18925 1 256 . 2 2 22 22 ARG HD2 H 1 3.246 0.010 . 1 . . . B 22 ARG QD . 18925 1 257 . 2 2 22 22 ARG HD3 H 1 3.246 0.010 . 1 . . . B 22 ARG QD . 18925 1 258 . 2 2 22 22 ARG HG2 H 1 1.741 0.010 . 1 . . . B 22 ARG HG2 . 18925 1 259 . 2 2 22 22 ARG HG3 H 1 1.699 0.010 . 1 . . . B 22 ARG HG3 . 18925 1 260 . 2 2 23 23 GLY H H 1 8.176 0.010 . 1 . . . B 23 GLY H . 18925 1 261 . 2 2 23 23 GLY HA2 H 1 3.918 0.010 . 1 . . . B 23 GLY QA . 18925 1 262 . 2 2 23 23 GLY HA3 H 1 3.918 0.010 . 1 . . . B 23 GLY QA . 18925 1 263 . 2 2 24 24 HIS HA H 1 4.590 0.010 . 1 . . . B 24 DHI HA . 18925 1 264 . 2 2 24 24 HIS HB2 H 1 2.967 0.010 . 1 . . . B 24 DHI HB2 . 18925 1 265 . 2 2 24 24 HIS HB3 H 1 2.853 0.010 . 1 . . . B 24 DHI HB3 . 18925 1 266 . 2 2 24 24 HIS HD2 H 1 6.884 0.010 . 1 . . . B 24 DHI HD2 . 18925 1 267 . 2 2 24 24 HIS HE1 H 1 7.730 0.010 . 1 . . . B 24 DHI HE1 . 18925 1 268 . 2 2 25 25 PHE HA H 1 4.715 0.010 . 1 . . . B 25 PHE HA . 18925 1 269 . 2 2 25 25 PHE HB2 H 1 3.056 0.010 . 1 . . . B 25 PHE HB2 . 18925 1 270 . 2 2 25 25 PHE HB3 H 1 2.914 0.010 . 1 . . . B 25 PHE HB3 . 18925 1 271 . 2 2 25 25 PHE HD1 H 1 7.070 0.010 . 1 . . . B 25 PHE QD . 18925 1 272 . 2 2 25 25 PHE HD2 H 1 7.070 0.010 . 1 . . . B 25 PHE QD . 18925 1 273 . 2 2 25 25 PHE HE1 H 1 7.195 0.010 . 1 . . . B 25 PHE QE . 18925 1 274 . 2 2 25 25 PHE HE2 H 1 7.195 0.010 . 1 . . . B 25 PHE QE . 18925 1 275 . 2 2 26 26 TYR H H 1 8.312 0.010 . 1 . . . B 26 TYR H . 18925 1 276 . 2 2 26 26 TYR HA H 1 4.645 0.010 . 1 . . . B 26 TYR HA . 18925 1 277 . 2 2 26 26 TYR HB2 H 1 2.987 0.010 . 1 . . . B 26 TYR QB . 18925 1 278 . 2 2 26 26 TYR HB3 H 1 2.987 0.010 . 1 . . . B 26 TYR QB . 18925 1 279 . 2 2 26 26 TYR HD1 H 1 7.099 0.010 . 1 . . . B 26 TYR QD . 18925 1 280 . 2 2 26 26 TYR HD2 H 1 7.099 0.010 . 1 . . . B 26 TYR QD . 18925 1 281 . 2 2 26 26 TYR HE1 H 1 6.816 0.010 . 1 . . . B 26 TYR QE . 18925 1 282 . 2 2 26 26 TYR HE2 H 1 6.816 0.010 . 1 . . . B 26 TYR QE . 18925 1 283 . 2 2 27 27 THR H H 1 8.000 0.010 . 1 . . . B 27 THR H . 18925 1 284 . 2 2 27 27 THR HA H 1 4.530 0.010 . 1 . . . B 27 THR HA . 18925 1 285 . 2 2 27 27 THR HB H 1 4.066 0.010 . 1 . . . B 27 THR HB . 18925 1 286 . 2 2 27 27 THR HG21 H 1 1.222 0.010 . 1 . . . B 27 THR QG2 . 18925 1 287 . 2 2 27 27 THR HG22 H 1 1.222 0.010 . 1 . . . B 27 THR QG2 . 18925 1 288 . 2 2 27 27 THR HG23 H 1 1.222 0.010 . 1 . . . B 27 THR QG2 . 18925 1 289 . 2 2 28 28 PRO HA H 1 4.401 0.010 . 1 . . . B 28 PRO HA . 18925 1 290 . 2 2 28 28 PRO HB2 H 1 2.316 0.010 . 1 . . . B 28 PRO HB2 . 18925 1 291 . 2 2 28 28 PRO HB3 H 1 2.045 0.010 . 1 . . . B 28 PRO HB3 . 18925 1 292 . 2 2 28 28 PRO HG2 H 1 1.954 0.010 . 1 . . . B 28 PRO QG . 18925 1 293 . 2 2 28 28 PRO HG3 H 1 1.954 0.010 . 1 . . . B 28 PRO QG . 18925 1 294 . 2 2 28 28 PRO HD2 H 1 3.685 0.010 . 1 . . . B 28 PRO QD . 18925 1 295 . 2 2 28 28 PRO HD3 H 1 3.685 0.010 . 1 . . . B 28 PRO QD . 18925 1 296 . 2 2 29 29 LYS H H 1 8.477 0.010 . 1 . . . B 29 LYS H . 18925 1 297 . 2 2 29 29 LYS HA H 1 4.425 0.010 . 1 . . . B 29 LYS HA . 18925 1 298 . 2 2 29 29 LYS HB2 H 1 1.938 0.010 . 1 . . . B 29 LYS HB2 . 18925 1 299 . 2 2 29 29 LYS HB3 H 1 1.820 0.010 . 1 . . . B 29 LYS HB3 . 18925 1 300 . 2 2 29 29 LYS HG2 H 1 1.526 0.010 . 1 . . . B 29 LYS QG . 18925 1 301 . 2 2 29 29 LYS HG3 H 1 1.526 0.010 . 1 . . . B 29 LYS QG . 18925 1 302 . 2 2 29 29 LYS HD2 H 1 1.730 0.010 . 1 . . . B 29 LYS QD . 18925 1 303 . 2 2 29 29 LYS HD3 H 1 1.730 0.010 . 1 . . . B 29 LYS QD . 18925 1 304 . 2 2 29 29 LYS HE2 H 1 3.045 0.010 . 1 . . . B 29 LYS QE . 18925 1 305 . 2 2 29 29 LYS HE3 H 1 3.045 0.010 . 1 . . . B 29 LYS QE . 18925 1 306 . 2 2 30 30 THR H H 1 7.833 0.010 . 1 . . . B 30 THR H . 18925 1 307 . 2 2 30 30 THR HA H 1 4.204 0.010 . 1 . . . B 30 THR HA . 18925 1 308 . 2 2 30 30 THR HB H 1 4.294 0.010 . 1 . . . B 30 THR HB . 18925 1 309 . 2 2 30 30 THR HG21 H 1 1.198 0.010 . 1 . . . B 30 THR QG2 . 18925 1 310 . 2 2 30 30 THR HG22 H 1 1.198 0.010 . 1 . . . B 30 THR QG2 . 18925 1 311 . 2 2 30 30 THR HG23 H 1 1.198 0.010 . 1 . . . B 30 THR QG2 . 18925 1 stop_ save_