################################### # 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 18146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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' . . . 18146 1 2 '2D 1H-1H TOCSY' . . . 18146 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 VAL HA H 1 3.895 0.002 . 1 . . . A 1 VAL HA . 18146 1 2 . 1 1 1 1 VAL HB H 1 2.097 0.007 . 1 . . . A 1 VAL HB . 18146 1 3 . 1 1 1 1 VAL HG11 H 1 0.872 0.008 . 2 . . . A 1 VAL HG11 . 18146 1 4 . 1 1 1 1 VAL HG12 H 1 0.872 0.008 . 2 . . . A 1 VAL HG12 . 18146 1 5 . 1 1 1 1 VAL HG13 H 1 0.872 0.008 . 2 . . . A 1 VAL HG13 . 18146 1 6 . 1 1 2 2 THR HA H 1 4.435 0.001 . 1 . . . A 2 THR HA . 18146 1 7 . 1 1 2 2 THR HB H 1 4.249 0.006 . 1 . . . A 2 THR HB . 18146 1 8 . 1 1 2 2 THR HG21 H 1 1.256 0.003 . 1 . . . A 2 THR HG21 . 18146 1 9 . 1 1 2 2 THR HG22 H 1 1.256 0.003 . 1 . . . A 2 THR HG22 . 18146 1 10 . 1 1 2 2 THR HG23 H 1 1.256 0.003 . 1 . . . A 2 THR HG23 . 18146 1 11 . 1 1 3 3 CYS H H 1 8.413 0.011 . 1 . . . A 3 CYS H . 18146 1 12 . 1 1 3 3 CYS HA H 1 4.564 0.006 . 1 . . . A 3 CYS HA . 18146 1 13 . 1 1 3 3 CYS HB2 H 1 3.039 0.006 . 2 . . . A 3 CYS HB2 . 18146 1 14 . 1 1 3 3 CYS HB3 H 1 2.937 0.001 . 2 . . . A 3 CYS HB3 . 18146 1 15 . 1 1 4 4 ASP H H 1 8.447 0.010 . 1 . . . A 4 ASP H . 18146 1 16 . 1 1 4 4 ASP HA H 1 4.567 0.002 . 1 . . . A 4 ASP HA . 18146 1 17 . 1 1 4 4 ASP HB2 H 1 2.657 0.004 . 2 . . . A 4 ASP HB2 . 18146 1 18 . 1 1 4 4 ASP HB3 H 1 2.657 0.004 . 2 . . . A 4 ASP HB3 . 18146 1 19 . 1 1 5 5 VAL H H 1 8.068 0.010 . 1 . . . A 5 VAL H . 18146 1 20 . 1 1 5 5 VAL HA H 1 3.986 0.005 . 1 . . . A 5 VAL HA . 18146 1 21 . 1 1 5 5 VAL HB H 1 2.048 0.008 . 1 . . . A 5 VAL HB . 18146 1 22 . 1 1 5 5 VAL HG11 H 1 0.918 0.003 . 2 . . . A 5 VAL HG11 . 18146 1 23 . 1 1 5 5 VAL HG12 H 1 0.918 0.003 . 2 . . . A 5 VAL HG12 . 18146 1 24 . 1 1 5 5 VAL HG13 H 1 0.918 0.003 . 2 . . . A 5 VAL HG13 . 18146 1 25 . 1 1 5 5 VAL HG21 H 1 0.841 0.005 . 2 . . . A 5 VAL HG21 . 18146 1 26 . 1 1 5 5 VAL HG22 H 1 0.841 0.005 . 2 . . . A 5 VAL HG22 . 18146 1 27 . 1 1 5 5 VAL HG23 H 1 0.841 0.005 . 2 . . . A 5 VAL HG23 . 18146 1 28 . 1 1 6 6 LEU H H 1 8.067 0.013 . 1 . . . A 6 LEU H . 18146 1 29 . 1 1 6 6 LEU HA H 1 4.296 0.006 . 1 . . . A 6 LEU HA . 18146 1 30 . 1 1 6 6 LEU HB2 H 1 1.682 0.005 . 2 . . . A 6 LEU HB2 . 18146 1 31 . 1 1 6 6 LEU HB3 H 1 1.682 0.005 . 2 . . . A 6 LEU HB3 . 18146 1 32 . 1 1 6 6 LEU HG H 1 1.609 0.005 . 1 . . . A 6 LEU HG . 18146 1 33 . 1 1 6 6 LEU HD11 H 1 0.860 0.006 . 2 . . . A 6 LEU HD11 . 18146 1 34 . 1 1 6 6 LEU HD12 H 1 0.860 0.006 . 2 . . . A 6 LEU HD12 . 18146 1 35 . 1 1 6 6 LEU HD13 H 1 0.860 0.006 . 2 . . . A 6 LEU HD13 . 18146 1 36 . 1 1 6 6 LEU HD21 H 1 0.798 0.005 . 2 . . . A 6 LEU HD21 . 18146 1 37 . 1 1 6 6 LEU HD22 H 1 0.798 0.005 . 2 . . . A 6 LEU HD22 . 18146 1 38 . 1 1 6 6 LEU HD23 H 1 0.798 0.005 . 2 . . . A 6 LEU HD23 . 18146 1 39 . 1 1 7 7 SER H H 1 8.115 0.010 . 1 . . . A 7 SER H . 18146 1 40 . 1 1 7 7 SER HA H 1 4.352 0.003 . 1 . . . A 7 SER HA . 18146 1 41 . 1 1 7 7 SER HB2 H 1 3.843 0.007 . 2 . . . A 7 SER HB2 . 18146 1 42 . 1 1 7 7 SER HB3 H 1 3.843 0.007 . 2 . . . A 7 SER HB3 . 18146 1 43 . 1 1 8 8 PHE H H 1 8.116 0.014 . 1 . . . A 8 PHE H . 18146 1 44 . 1 1 8 8 PHE HA H 1 4.555 0.006 . 1 . . . A 8 PHE HA . 18146 1 45 . 1 1 8 8 PHE HB2 H 1 3.129 0.008 . 2 . . . A 8 PHE HB2 . 18146 1 46 . 1 1 8 8 PHE HB3 H 1 3.129 0.008 . 2 . . . A 8 PHE HB3 . 18146 1 47 . 1 1 8 8 PHE HD1 H 1 7.248 0.005 . 3 . . . A 8 PHE HD1 . 18146 1 48 . 1 1 8 8 PHE HD2 H 1 7.248 0.005 . 3 . . . A 8 PHE HD2 . 18146 1 49 . 1 1 8 8 PHE HE1 H 1 7.347 0.010 . 3 . . . A 8 PHE HE1 . 18146 1 50 . 1 1 8 8 PHE HE2 H 1 7.347 0.010 . 3 . . . A 8 PHE HE2 . 18146 1 51 . 1 1 8 8 PHE HZ H 1 7.248 0.005 . 1 . . . A 8 PHE HZ . 18146 1 52 . 1 1 9 9 GLU H H 1 8.232 0.006 . 1 . . . A 9 GLU H . 18146 1 53 . 1 1 9 9 GLU HA H 1 4.217 0.001 . 1 . . . A 9 GLU HA . 18146 1 54 . 1 1 9 9 GLU HB2 H 1 2.049 0.002 . 2 . . . A 9 GLU HB2 . 18146 1 55 . 1 1 9 9 GLU HB3 H 1 1.952 0.002 . 2 . . . A 9 GLU HB3 . 18146 1 56 . 1 1 9 9 GLU HG2 H 1 2.280 0.005 . 2 . . . A 9 GLU HG2 . 18146 1 57 . 1 1 9 9 GLU HG3 H 1 2.280 0.005 . 2 . . . A 9 GLU HG3 . 18146 1 58 . 1 1 10 10 ALA H H 1 8.068 0.011 . 1 . . . A 10 ALA H . 18146 1 59 . 1 1 10 10 ALA HA H 1 4.285 0.005 . 1 . . . A 10 ALA HA . 18146 1 60 . 1 1 10 10 ALA HB1 H 1 1.417 0.007 . 1 . . . A 10 ALA HB1 . 18146 1 61 . 1 1 10 10 ALA HB2 H 1 1.417 0.007 . 1 . . . A 10 ALA HB2 . 18146 1 62 . 1 1 10 10 ALA HB3 H 1 1.417 0.007 . 1 . . . A 10 ALA HB3 . 18146 1 63 . 1 1 11 11 LYS H H 1 8.175 0.014 . 1 . . . A 11 LYS H . 18146 1 64 . 1 1 11 11 LYS HA H 1 4.277 0.004 . 1 . . . A 11 LYS HA . 18146 1 65 . 1 1 11 11 LYS HB2 H 1 1.864 0.004 . 2 . . . A 11 LYS HB2 . 18146 1 66 . 1 1 11 11 LYS HB3 H 1 1.864 0.004 . 2 . . . A 11 LYS HB3 . 18146 1 67 . 1 1 11 11 LYS HG2 H 1 1.413 0.007 . 2 . . . A 11 LYS HG2 . 18146 1 68 . 1 1 11 11 LYS HG3 H 1 1.413 0.007 . 2 . . . A 11 LYS HG3 . 18146 1 69 . 1 1 12 12 GLY H H 1 8.364 0.015 . 1 . . . A 12 GLY H . 18146 1 70 . 1 1 12 12 GLY HA2 H 1 4.013 0.009 . 2 . . . A 12 GLY HA2 . 18146 1 71 . 1 1 12 12 GLY HA3 H 1 3.869 0.005 . 2 . . . A 12 GLY HA3 . 18146 1 72 . 1 1 13 13 ILE H H 1 7.857 0.010 . 1 . . . A 13 ILE H . 18146 1 73 . 1 1 13 13 ILE HA H 1 4.155 0.003 . 1 . . . A 13 ILE HA . 18146 1 74 . 1 1 13 13 ILE HB H 1 1.872 0.006 . 1 . . . A 13 ILE HB . 18146 1 75 . 1 1 13 13 ILE HG12 H 1 1.423 0.004 . 2 . . . A 13 ILE HG12 . 18146 1 76 . 1 1 13 13 ILE HG13 H 1 1.423 0.004 . 2 . . . A 13 ILE HG13 . 18146 1 77 . 1 1 13 13 ILE HG21 H 1 1.159 0.007 . 1 . . . A 13 ILE HG21 . 18146 1 78 . 1 1 13 13 ILE HG22 H 1 1.159 0.007 . 1 . . . A 13 ILE HG22 . 18146 1 79 . 1 1 13 13 ILE HG23 H 1 1.159 0.007 . 1 . . . A 13 ILE HG23 . 18146 1 80 . 1 1 13 13 ILE HD11 H 1 0.905 0.004 . 1 . . . A 13 ILE HD11 . 18146 1 81 . 1 1 13 13 ILE HD12 H 1 0.905 0.004 . 1 . . . A 13 ILE HD12 . 18146 1 82 . 1 1 13 13 ILE HD13 H 1 0.905 0.004 . 1 . . . A 13 ILE HD13 . 18146 1 83 . 1 1 14 14 ALA H H 1 8.305 0.010 . 1 . . . A 14 ALA H . 18146 1 84 . 1 1 14 14 ALA HA H 1 4.356 0.005 . 1 . . . A 14 ALA HA . 18146 1 85 . 1 1 14 14 ALA HB1 H 1 1.371 0.002 . 1 . . . A 14 ALA HB1 . 18146 1 86 . 1 1 14 14 ALA HB2 H 1 1.371 0.002 . 1 . . . A 14 ALA HB2 . 18146 1 87 . 1 1 14 14 ALA HB3 H 1 1.371 0.002 . 1 . . . A 14 ALA HB3 . 18146 1 88 . 1 1 15 15 VAL H H 1 8.066 0.009 . 1 . . . A 15 VAL H . 18146 1 89 . 1 1 15 15 VAL HA H 1 3.992 0.004 . 1 . . . A 15 VAL HA . 18146 1 90 . 1 1 15 15 VAL HB H 1 2.013 0.005 . 1 . . . A 15 VAL HB . 18146 1 91 . 1 1 15 15 VAL HG11 H 1 0.918 0.004 . 2 . . . A 15 VAL HG11 . 18146 1 92 . 1 1 15 15 VAL HG12 H 1 0.918 0.004 . 2 . . . A 15 VAL HG12 . 18146 1 93 . 1 1 15 15 VAL HG13 H 1 0.918 0.004 . 2 . . . A 15 VAL HG13 . 18146 1 94 . 1 1 15 15 VAL HG21 H 1 0.850 0.003 . 2 . . . A 15 VAL HG21 . 18146 1 95 . 1 1 15 15 VAL HG22 H 1 0.850 0.003 . 2 . . . A 15 VAL HG22 . 18146 1 96 . 1 1 15 15 VAL HG23 H 1 0.850 0.003 . 2 . . . A 15 VAL HG23 . 18146 1 97 . 1 1 16 16 ASN H H 1 8.327 0.015 . 1 . . . A 16 ASN H . 18146 1 98 . 1 1 16 16 ASN HA H 1 4.617 0.016 . 1 . . . A 16 ASN HA . 18146 1 99 . 1 1 16 16 ASN HB2 H 1 2.779 0.005 . 2 . . . A 16 ASN HB2 . 18146 1 100 . 1 1 16 16 ASN HB3 H 1 2.779 0.005 . 2 . . . A 16 ASN HB3 . 18146 1 101 . 1 1 16 16 ASN HD21 H 1 6.888 0.003 . 2 . . . A 16 ASN HD21 . 18146 1 102 . 1 1 16 16 ASN HD22 H 1 7.613 0.010 . 2 . . . A 16 ASN HD22 . 18146 1 103 . 1 1 17 17 HIS H H 1 8.355 0.002 . 1 . . . A 17 HIS H . 18146 1 104 . 1 1 17 17 HIS HA H 1 4.758 0.004 . 1 . . . A 17 HIS HA . 18146 1 105 . 1 1 17 17 HIS HB2 H 1 3.352 0.007 . 2 . . . A 17 HIS HB2 . 18146 1 106 . 1 1 17 17 HIS HB3 H 1 3.113 0.005 . 2 . . . A 17 HIS HB3 . 18146 1 107 . 1 1 17 17 HIS HD2 H 1 7.250 0.002 . 1 . . . A 17 HIS HD2 . 18146 1 108 . 1 1 17 17 HIS HE1 H 1 8.503 0.001 . 1 . . . A 17 HIS HE1 . 18146 1 109 . 1 1 18 18 SER H H 1 8.176 0.012 . 1 . . . A 18 SER H . 18146 1 110 . 1 1 18 18 SER HA H 1 4.475 0.004 . 1 . . . A 18 SER HA . 18146 1 111 . 1 1 18 18 SER HB2 H 1 4.133 0.001 . 2 . . . A 18 SER HB2 . 18146 1 112 . 1 1 18 18 SER HB3 H 1 4.030 0.004 . 2 . . . A 18 SER HB3 . 18146 1 113 . 1 1 19 19 ALA H H 1 8.593 0.007 . 1 . . . A 19 ALA H . 18146 1 114 . 1 1 19 19 ALA HA H 1 4.107 0.008 . 1 . . . A 19 ALA HA . 18146 1 115 . 1 1 19 19 ALA HB1 H 1 1.466 0.012 . 1 . . . A 19 ALA HB1 . 18146 1 116 . 1 1 19 19 ALA HB2 H 1 1.466 0.012 . 1 . . . A 19 ALA HB2 . 18146 1 117 . 1 1 19 19 ALA HB3 H 1 1.466 0.012 . 1 . . . A 19 ALA HB3 . 18146 1 118 . 1 1 20 20 CYS H H 1 8.662 0.004 . 1 . . . A 20 CYS H . 18146 1 119 . 1 1 20 20 CYS HA H 1 4.541 0.011 . 1 . . . A 20 CYS HA . 18146 1 120 . 1 1 20 20 CYS HB2 H 1 3.165 0.005 . 2 . . . A 20 CYS HB2 . 18146 1 121 . 1 1 20 20 CYS HB3 H 1 2.569 0.006 . 2 . . . A 20 CYS HB3 . 18146 1 122 . 1 1 21 21 ALA H H 1 8.149 0.010 . 1 . . . A 21 ALA H . 18146 1 123 . 1 1 21 21 ALA HA H 1 3.691 0.006 . 1 . . . A 21 ALA HA . 18146 1 124 . 1 1 21 21 ALA HB1 H 1 1.572 0.001 . 1 . . . A 21 ALA HB1 . 18146 1 125 . 1 1 21 21 ALA HB2 H 1 1.572 0.001 . 1 . . . A 21 ALA HB2 . 18146 1 126 . 1 1 21 21 ALA HB3 H 1 1.572 0.001 . 1 . . . A 21 ALA HB3 . 18146 1 127 . 1 1 22 22 LEU H H 1 8.182 0.010 . 1 . . . A 22 LEU H . 18146 1 128 . 1 1 22 22 LEU HA H 1 3.978 0.004 . 1 . . . A 22 LEU HA . 18146 1 129 . 1 1 22 22 LEU HB2 H 1 1.799 0.009 . 2 . . . A 22 LEU HB2 . 18146 1 130 . 1 1 22 22 LEU HB3 H 1 1.799 0.009 . 2 . . . A 22 LEU HB3 . 18146 1 131 . 1 1 22 22 LEU HG H 1 1.523 0.004 . 1 . . . A 22 LEU HG . 18146 1 132 . 1 1 22 22 LEU HD11 H 1 0.856 0.007 . 2 . . . A 22 LEU HD11 . 18146 1 133 . 1 1 22 22 LEU HD12 H 1 0.856 0.007 . 2 . . . A 22 LEU HD12 . 18146 1 134 . 1 1 22 22 LEU HD13 H 1 0.856 0.007 . 2 . . . A 22 LEU HD13 . 18146 1 135 . 1 1 23 23 HIS H H 1 8.110 0.009 . 1 . . . A 23 HIS H . 18146 1 136 . 1 1 23 23 HIS HA H 1 4.396 0.006 . 1 . . . A 23 HIS HA . 18146 1 137 . 1 1 23 23 HIS HB2 H 1 3.682 0.007 . 2 . . . A 23 HIS HB2 . 18146 1 138 . 1 1 23 23 HIS HB3 H 1 3.286 0.008 . 2 . . . A 23 HIS HB3 . 18146 1 139 . 1 1 23 23 HIS HD2 H 1 7.066 0.001 . 1 . . . A 23 HIS HD2 . 18146 1 140 . 1 1 23 23 HIS HE1 H 1 8.631 0.001 . 1 . . . A 23 HIS HE1 . 18146 1 141 . 1 1 24 24 CYS H H 1 8.293 0.006 . 1 . . . A 24 CYS H . 18146 1 142 . 1 1 24 24 CYS HA H 1 4.074 0.003 . 1 . . . A 24 CYS HA . 18146 1 143 . 1 1 24 24 CYS HB2 H 1 2.605 0.004 . 2 . . . A 24 CYS HB2 . 18146 1 144 . 1 1 24 24 CYS HB3 H 1 2.605 0.004 . 2 . . . A 24 CYS HB3 . 18146 1 145 . 1 1 25 25 ILE H H 1 8.599 0.005 . 1 . . . A 25 ILE H . 18146 1 146 . 1 1 25 25 ILE HA H 1 4.097 0.007 . 1 . . . A 25 ILE HA . 18146 1 147 . 1 1 25 25 ILE HB H 1 1.807 0.002 . 1 . . . A 25 ILE HB . 18146 1 148 . 1 1 25 25 ILE HG12 H 1 1.538 0.005 . 2 . . . A 25 ILE HG12 . 18146 1 149 . 1 1 25 25 ILE HG13 H 1 1.073 0.005 . 2 . . . A 25 ILE HG13 . 18146 1 150 . 1 1 25 25 ILE HG21 H 1 0.929 0.003 . 1 . . . A 25 ILE HG21 . 18146 1 151 . 1 1 25 25 ILE HG22 H 1 0.929 0.003 . 1 . . . A 25 ILE HG22 . 18146 1 152 . 1 1 25 25 ILE HG23 H 1 0.929 0.003 . 1 . . . A 25 ILE HG23 . 18146 1 153 . 1 1 25 25 ILE HD11 H 1 0.785 0.003 . 1 . . . A 25 ILE HD11 . 18146 1 154 . 1 1 25 25 ILE HD12 H 1 0.785 0.003 . 1 . . . A 25 ILE HD12 . 18146 1 155 . 1 1 25 25 ILE HD13 H 1 0.785 0.003 . 1 . . . A 25 ILE HD13 . 18146 1 156 . 1 1 26 26 ALA H H 1 7.923 0.004 . 1 . . . A 26 ALA H . 18146 1 157 . 1 1 26 26 ALA HA H 1 4.218 0.003 . 1 . . . A 26 ALA HA . 18146 1 158 . 1 1 26 26 ALA HB1 H 1 1.537 0.002 . 1 . . . A 26 ALA HB1 . 18146 1 159 . 1 1 26 26 ALA HB2 H 1 1.537 0.002 . 1 . . . A 26 ALA HB2 . 18146 1 160 . 1 1 26 26 ALA HB3 H 1 1.537 0.002 . 1 . . . A 26 ALA HB3 . 18146 1 161 . 1 1 27 27 LEU H H 1 7.139 0.003 . 1 . . . A 27 LEU H . 18146 1 162 . 1 1 27 27 LEU HA H 1 4.297 0.009 . 1 . . . A 27 LEU HA . 18146 1 163 . 1 1 27 27 LEU HB2 H 1 1.728 0.007 . 2 . . . A 27 LEU HB2 . 18146 1 164 . 1 1 27 27 LEU HB3 H 1 1.728 0.007 . 2 . . . A 27 LEU HB3 . 18146 1 165 . 1 1 27 27 LEU HG H 1 1.504 0.010 . 1 . . . A 27 LEU HG . 18146 1 166 . 1 1 27 27 LEU HD11 H 1 0.752 0.005 . 2 . . . A 27 LEU HD11 . 18146 1 167 . 1 1 27 27 LEU HD12 H 1 0.752 0.005 . 2 . . . A 27 LEU HD12 . 18146 1 168 . 1 1 27 27 LEU HD13 H 1 0.752 0.005 . 2 . . . A 27 LEU HD13 . 18146 1 169 . 1 1 27 27 LEU HD21 H 1 0.661 0.006 . 2 . . . A 27 LEU HD21 . 18146 1 170 . 1 1 27 27 LEU HD22 H 1 0.661 0.006 . 2 . . . A 27 LEU HD22 . 18146 1 171 . 1 1 27 27 LEU HD23 H 1 0.661 0.006 . 2 . . . A 27 LEU HD23 . 18146 1 172 . 1 1 28 28 ARG H H 1 8.177 0.009 . 1 . . . A 28 ARG H . 18146 1 173 . 1 1 28 28 ARG HA H 1 3.978 0.003 . 1 . . . A 28 ARG HA . 18146 1 174 . 1 1 28 28 ARG HB2 H 1 2.218 0.004 . 2 . . . A 28 ARG HB2 . 18146 1 175 . 1 1 28 28 ARG HB3 H 1 2.076 0.005 . 2 . . . A 28 ARG HB3 . 18146 1 176 . 1 1 28 28 ARG HG2 H 1 1.574 0.006 . 2 . . . A 28 ARG HG2 . 18146 1 177 . 1 1 28 28 ARG HG3 H 1 1.574 0.006 . 2 . . . A 28 ARG HG3 . 18146 1 178 . 1 1 28 28 ARG HD2 H 1 3.225 0.005 . 2 . . . A 28 ARG HD2 . 18146 1 179 . 1 1 28 28 ARG HD3 H 1 3.225 0.005 . 2 . . . A 28 ARG HD3 . 18146 1 180 . 1 1 28 28 ARG HE H 1 7.176 0.005 . 1 . . . A 28 ARG HE . 18146 1 181 . 1 1 29 29 LYS H H 1 7.892 0.005 . 1 . . . A 29 LYS H . 18146 1 182 . 1 1 29 29 LYS HA H 1 4.808 0.004 . 1 . . . A 29 LYS HA . 18146 1 183 . 1 1 29 29 LYS HB2 H 1 2.164 0.002 . 2 . . . A 29 LYS HB2 . 18146 1 184 . 1 1 29 29 LYS HB3 H 1 2.164 0.002 . 2 . . . A 29 LYS HB3 . 18146 1 185 . 1 1 29 29 LYS HG2 H 1 1.541 0.005 . 2 . . . A 29 LYS HG2 . 18146 1 186 . 1 1 29 29 LYS HG3 H 1 1.317 0.004 . 2 . . . A 29 LYS HG3 . 18146 1 187 . 1 1 29 29 LYS HD2 H 1 1.622 0.007 . 2 . . . A 29 LYS HD2 . 18146 1 188 . 1 1 29 29 LYS HD3 H 1 1.622 0.007 . 2 . . . A 29 LYS HD3 . 18146 1 189 . 1 1 29 29 LYS HE2 H 1 2.883 0.004 . 2 . . . A 29 LYS HE2 . 18146 1 190 . 1 1 29 29 LYS HE3 H 1 2.883 0.004 . 2 . . . A 29 LYS HE3 . 18146 1 191 . 1 1 30 30 LYS H H 1 8.277 0.005 . 1 . . . A 30 LYS H . 18146 1 192 . 1 1 30 30 LYS HA H 1 4.225 0.003 . 1 . . . A 30 LYS HA . 18146 1 193 . 1 1 30 30 LYS HB2 H 1 1.803 0.006 . 2 . . . A 30 LYS HB2 . 18146 1 194 . 1 1 30 30 LYS HB3 H 1 1.803 0.006 . 2 . . . A 30 LYS HB3 . 18146 1 195 . 1 1 30 30 LYS HG2 H 1 1.520 0.005 . 2 . . . A 30 LYS HG2 . 18146 1 196 . 1 1 30 30 LYS HG3 H 1 1.392 0.011 . 2 . . . A 30 LYS HG3 . 18146 1 197 . 1 1 30 30 LYS HD2 H 1 1.619 0.005 . 2 . . . A 30 LYS HD2 . 18146 1 198 . 1 1 30 30 LYS HD3 H 1 1.619 0.005 . 2 . . . A 30 LYS HD3 . 18146 1 199 . 1 1 30 30 LYS HE2 H 1 2.976 0.005 . 2 . . . A 30 LYS HE2 . 18146 1 200 . 1 1 30 30 LYS HE3 H 1 2.976 0.005 . 2 . . . A 30 LYS HE3 . 18146 1 201 . 1 1 30 30 LYS HZ1 H 1 7.543 0.020 . 1 . . . A 30 LYS HZ1 . 18146 1 202 . 1 1 30 30 LYS HZ2 H 1 7.543 0.020 . 1 . . . A 30 LYS HZ2 . 18146 1 203 . 1 1 30 30 LYS HZ3 H 1 7.543 0.020 . 1 . . . A 30 LYS HZ3 . 18146 1 204 . 1 1 31 31 GLY H H 1 7.545 0.007 . 1 . . . A 31 GLY H . 18146 1 205 . 1 1 31 31 GLY HA2 H 1 4.221 0.002 . 2 . . . A 31 GLY HA2 . 18146 1 206 . 1 1 31 31 GLY HA3 H 1 3.767 0.002 . 2 . . . A 31 GLY HA3 . 18146 1 207 . 1 1 32 32 GLY H H 1 8.282 0.020 . 1 . . . A 32 GLY H . 18146 1 208 . 1 1 32 32 GLY HA2 H 1 4.545 0.019 . 2 . . . A 32 GLY HA2 . 18146 1 209 . 1 1 32 32 GLY HA3 H 1 4.348 0.009 . 2 . . . A 32 GLY HA3 . 18146 1 210 . 1 1 33 33 SER H H 1 8.368 0.009 . 1 . . . A 33 SER H . 18146 1 211 . 1 1 33 33 SER HA H 1 4.595 0.004 . 1 . . . A 33 SER HA . 18146 1 212 . 1 1 33 33 SER HB2 H 1 3.854 0.011 . 2 . . . A 33 SER HB2 . 18146 1 213 . 1 1 33 33 SER HB3 H 1 3.777 0.007 . 2 . . . A 33 SER HB3 . 18146 1 214 . 1 1 34 34 CYS H H 1 9.205 0.002 . 1 . . . A 34 CYS H . 18146 1 215 . 1 1 34 34 CYS HA H 1 5.137 0.004 . 1 . . . A 34 CYS HA . 18146 1 216 . 1 1 34 34 CYS HB2 H 1 2.945 0.006 . 2 . . . A 34 CYS HB2 . 18146 1 217 . 1 1 34 34 CYS HB3 H 1 2.945 0.006 . 2 . . . A 34 CYS HB3 . 18146 1 218 . 1 1 35 35 GLN H H 1 9.368 0.006 . 1 . . . A 35 GLN H . 18146 1 219 . 1 1 35 35 GLN HA H 1 4.610 0.007 . 1 . . . A 35 GLN HA . 18146 1 220 . 1 1 35 35 GLN HB2 H 1 2.027 0.008 . 2 . . . A 35 GLN HB2 . 18146 1 221 . 1 1 35 35 GLN HB3 H 1 1.907 0.005 . 2 . . . A 35 GLN HB3 . 18146 1 222 . 1 1 35 35 GLN HG2 H 1 2.278 0.006 . 2 . . . A 35 GLN HG2 . 18146 1 223 . 1 1 35 35 GLN HG3 H 1 2.278 0.006 . 2 . . . A 35 GLN HG3 . 18146 1 224 . 1 1 35 35 GLN HE21 H 1 6.805 0.001 . 2 . . . A 35 GLN HE21 . 18146 1 225 . 1 1 35 35 GLN HE22 H 1 7.298 0.035 . 2 . . . A 35 GLN HE22 . 18146 1 226 . 1 1 36 36 ASN H H 1 9.558 0.012 . 1 . . . A 36 ASN H . 18146 1 227 . 1 1 36 36 ASN HA H 1 4.364 0.003 . 1 . . . A 36 ASN HA . 18146 1 228 . 1 1 36 36 ASN HB2 H 1 3.069 0.007 . 2 . . . A 36 ASN HB2 . 18146 1 229 . 1 1 36 36 ASN HB3 H 1 2.745 0.007 . 2 . . . A 36 ASN HB3 . 18146 1 230 . 1 1 36 36 ASN HD21 H 1 6.923 0.025 . 2 . . . A 36 ASN HD21 . 18146 1 231 . 1 1 36 36 ASN HD22 H 1 7.613 0.001 . 2 . . . A 36 ASN HD22 . 18146 1 232 . 1 1 37 37 GLY H H 1 8.517 0.015 . 1 . . . A 37 GLY H . 18146 1 233 . 1 1 37 37 GLY HA2 H 1 4.205 0.001 . 2 . . . A 37 GLY HA2 . 18146 1 234 . 1 1 37 37 GLY HA3 H 1 3.616 0.004 . 2 . . . A 37 GLY HA3 . 18146 1 235 . 1 1 38 38 VAL H H 1 7.686 0.010 . 1 . . . A 38 VAL H . 18146 1 236 . 1 1 38 38 VAL HA H 1 4.273 0.006 . 1 . . . A 38 VAL HA . 18146 1 237 . 1 1 38 38 VAL HB H 1 2.045 0.004 . 1 . . . A 38 VAL HB . 18146 1 238 . 1 1 38 38 VAL HG11 H 1 0.891 0.002 . 2 . . . A 38 VAL HG11 . 18146 1 239 . 1 1 38 38 VAL HG12 H 1 0.891 0.002 . 2 . . . A 38 VAL HG12 . 18146 1 240 . 1 1 38 38 VAL HG13 H 1 0.891 0.002 . 2 . . . A 38 VAL HG13 . 18146 1 241 . 1 1 39 39 CYS H H 1 8.665 0.003 . 1 . . . A 39 CYS H . 18146 1 242 . 1 1 39 39 CYS HA H 1 4.797 0.004 . 1 . . . A 39 CYS HA . 18146 1 243 . 1 1 39 39 CYS HB2 H 1 2.792 0.006 . 2 . . . A 39 CYS HB2 . 18146 1 244 . 1 1 39 39 CYS HB3 H 1 2.589 0.013 . 2 . . . A 39 CYS HB3 . 18146 1 245 . 1 1 40 40 VAL H H 1 8.947 0.004 . 1 . . . A 40 VAL H . 18146 1 246 . 1 1 40 40 VAL HA H 1 4.276 0.002 . 1 . . . A 40 VAL HA . 18146 1 247 . 1 1 40 40 VAL HB H 1 2.084 0.007 . 1 . . . A 40 VAL HB . 18146 1 248 . 1 1 40 40 VAL HG11 H 1 0.979 0.002 . 2 . . . A 40 VAL HG11 . 18146 1 249 . 1 1 40 40 VAL HG12 H 1 0.979 0.002 . 2 . . . A 40 VAL HG12 . 18146 1 250 . 1 1 40 40 VAL HG13 H 1 0.979 0.002 . 2 . . . A 40 VAL HG13 . 18146 1 251 . 1 1 40 40 VAL HG21 H 1 0.939 0.005 . 2 . . . A 40 VAL HG21 . 18146 1 252 . 1 1 40 40 VAL HG22 H 1 0.939 0.005 . 2 . . . A 40 VAL HG22 . 18146 1 253 . 1 1 40 40 VAL HG23 H 1 0.939 0.005 . 2 . . . A 40 VAL HG23 . 18146 1 254 . 1 1 41 41 CYS H H 1 8.999 0.013 . 1 . . . A 41 CYS H . 18146 1 255 . 1 1 41 41 CYS HA H 1 5.456 0.007 . 1 . . . A 41 CYS HA . 18146 1 256 . 1 1 41 41 CYS HB2 H 1 3.027 0.005 . 2 . . . A 41 CYS HB2 . 18146 1 257 . 1 1 41 41 CYS HB3 H 1 2.760 0.003 . 2 . . . A 41 CYS HB3 . 18146 1 258 . 1 1 42 42 ARG H H 1 8.489 0.007 . 1 . . . A 42 ARG H . 18146 1 259 . 1 1 42 42 ARG HA H 1 4.530 0.006 . 1 . . . A 42 ARG HA . 18146 1 260 . 1 1 42 42 ARG HB2 H 1 1.778 0.005 . 2 . . . A 42 ARG HB2 . 18146 1 261 . 1 1 42 42 ARG HB3 H 1 1.778 0.005 . 2 . . . A 42 ARG HB3 . 18146 1 262 . 1 1 42 42 ARG HG2 H 1 1.578 0.002 . 2 . . . A 42 ARG HG2 . 18146 1 263 . 1 1 42 42 ARG HG3 H 1 1.506 0.006 . 2 . . . A 42 ARG HG3 . 18146 1 264 . 1 1 42 42 ARG HD2 H 1 3.122 0.007 . 2 . . . A 42 ARG HD2 . 18146 1 265 . 1 1 42 42 ARG HD3 H 1 3.122 0.007 . 2 . . . A 42 ARG HD3 . 18146 1 266 . 1 1 42 42 ARG HE H 1 7.242 0.004 . 1 . . . A 42 ARG HE . 18146 1 267 . 1 1 43 43 ASN H H 1 8.279 0.010 . 1 . . . A 43 ASN H . 18146 1 268 . 1 1 43 43 ASN HB2 H 1 2.814 0.009 . 2 . . . A 43 ASN HB2 . 18146 1 269 . 1 1 43 43 ASN HB3 H 1 2.596 0.012 . 2 . . . A 43 ASN HB3 . 18146 1 270 . 1 1 43 43 ASN HD21 H 1 6.894 0.030 . 2 . . . A 43 ASN HD21 . 18146 1 271 . 1 1 43 43 ASN HD22 H 1 7.521 0.032 . 2 . . . A 43 ASN HD22 . 18146 1 stop_ save_