################################### # 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 25205 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Spectral resolution' _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-15N HSQC' . . . 25205 1 2 '2D 1H-13C HSQC' . . . 25205 1 4 '2D 1H-1H NOESY' . . . 25205 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 THR H H 1 8.287 0.020 . 1 . . . A 2 THR H . 25205 1 2 . 1 1 2 2 THR HA H 1 4.386 0.020 . 1 . . . A 2 THR HA . 25205 1 3 . 1 1 2 2 THR HB H 1 4.202 0.020 . 1 . . . A 2 THR HB . 25205 1 4 . 1 1 2 2 THR HG21 H 1 1.324 0.020 . 1 . . . A 2 THR HG21 . 25205 1 5 . 1 1 2 2 THR HG22 H 1 1.324 0.020 . 1 . . . A 2 THR HG22 . 25205 1 6 . 1 1 2 2 THR HG23 H 1 1.324 0.020 . 1 . . . A 2 THR HG23 . 25205 1 7 . 1 1 3 3 ALA H H 1 8.466 0.020 . 1 . . . A 3 ALA H . 25205 1 8 . 1 1 3 3 ALA HA H 1 4.548 0.020 . 1 . . . A 3 ALA HA . 25205 1 9 . 1 1 3 3 ALA HB1 H 1 1.449 0.020 . 1 . . . A 3 ALA HB1 . 25205 1 10 . 1 1 3 3 ALA HB2 H 1 1.449 0.020 . 1 . . . A 3 ALA HB2 . 25205 1 11 . 1 1 3 3 ALA HB3 H 1 1.449 0.020 . 1 . . . A 3 ALA HB3 . 25205 1 12 . 1 1 4 4 CYS H H 1 7.772 0.020 . 1 . . . A 4 CYS H . 25205 1 13 . 1 1 4 4 CYS HA H 1 4.541 0.020 . 1 . . . A 4 CYS HA . 25205 1 14 . 1 1 4 4 CYS HB2 H 1 1.594 0.020 . 2 . . . A 4 CYS HB2 . 25205 1 15 . 1 1 4 4 CYS HB3 H 1 2.493 0.020 . 2 . . . A 4 CYS HB3 . 25205 1 16 . 1 1 5 5 SER H H 1 7.268 0.020 . 1 . . . A 5 SER H . 25205 1 17 . 1 1 5 5 SER HA H 1 4.936 0.020 . 1 . . . A 5 SER HA . 25205 1 18 . 1 1 5 5 SER HB2 H 1 3.557 0.020 . 2 . . . A 5 SER HB2 . 25205 1 19 . 1 1 5 5 SER HB3 H 1 3.681 0.020 . 2 . . . A 5 SER HB3 . 25205 1 20 . 1 1 6 6 CYS H H 1 8.318 0.020 . 1 . . . A 6 CYS H . 25205 1 21 . 1 1 6 6 CYS HA H 1 4.892 0.020 . 1 . . . A 6 CYS HA . 25205 1 22 . 1 1 6 6 CYS HB2 H 1 2.544 0.020 . 2 . . . A 6 CYS HB2 . 25205 1 23 . 1 1 6 6 CYS HB3 H 1 3.145 0.020 . 2 . . . A 6 CYS HB3 . 25205 1 24 . 1 1 7 7 GLY H H 1 9.043 0.020 . 1 . . . A 7 GLY H . 25205 1 25 . 1 1 7 7 GLY HA2 H 1 3.642 0.020 . 2 . . . A 7 GLY HA2 . 25205 1 26 . 1 1 7 7 GLY HA3 H 1 3.968 0.020 . 2 . . . A 7 GLY HA3 . 25205 1 27 . 1 1 8 8 ASN H H 1 8.919 0.020 . 1 . . . A 8 ASN H . 25205 1 28 . 1 1 8 8 ASN HA H 1 4.742 0.020 . 1 . . . A 8 ASN HA . 25205 1 29 . 1 1 8 8 ASN HB2 H 1 2.932 0.020 . 2 . . . A 8 ASN HB2 . 25205 1 30 . 1 1 8 8 ASN HB3 H 1 2.770 0.020 . 2 . . . A 8 ASN HB3 . 25205 1 31 . 1 1 8 8 ASN HD21 H 1 7.595 0.020 . 2 . . . A 8 ASN HD21 . 25205 1 32 . 1 1 8 8 ASN HD22 H 1 6.928 0.020 . 2 . . . A 8 ASN HD22 . 25205 1 33 . 1 1 9 9 SER H H 1 7.987 0.020 . 1 . . . A 9 SER H . 25205 1 34 . 1 1 9 9 SER HA H 1 4.597 0.020 . 1 . . . A 9 SER HA . 25205 1 35 . 1 1 9 9 SER HB2 H 1 3.767 0.020 . 2 . . . A 9 SER HB2 . 25205 1 36 . 1 1 9 9 SER HB3 H 1 3.892 0.020 . 2 . . . A 9 SER HB3 . 25205 1 37 . 1 1 10 10 LYS H H 1 8.620 0.020 . 1 . . . A 10 LYS H . 25205 1 38 . 1 1 10 10 LYS HA H 1 4.348 0.020 . 1 . . . A 10 LYS HA . 25205 1 39 . 1 1 10 10 LYS HB2 H 1 1.978 0.020 . 2 . . . A 10 LYS HB2 . 25205 1 40 . 1 1 10 10 LYS HB3 H 1 1.849 0.020 . 2 . . . A 10 LYS HB3 . 25205 1 41 . 1 1 10 10 LYS HG2 H 1 1.599 0.020 . 2 . . . A 10 LYS HG2 . 25205 1 42 . 1 1 10 10 LYS HG3 H 1 1.492 0.020 . 2 . . . A 10 LYS HG3 . 25205 1 43 . 1 1 10 10 LYS HD2 H 1 1.693 0.020 . 2 . . . A 10 LYS HD2 . 25205 1 44 . 1 1 10 10 LYS HD3 H 1 1.693 0.020 . 2 . . . A 10 LYS HD3 . 25205 1 45 . 1 1 10 10 LYS HE2 H 1 2.984 0.020 . 2 . . . A 10 LYS HE2 . 25205 1 46 . 1 1 10 10 LYS HE3 H 1 2.984 0.020 . 2 . . . A 10 LYS HE3 . 25205 1 47 . 1 1 11 11 GLY H H 1 8.420 0.020 . 1 . . . A 11 GLY H . 25205 1 48 . 1 1 11 11 GLY HA2 H 1 4.594 0.020 . 2 . . . A 11 GLY HA2 . 25205 1 49 . 1 1 11 11 GLY HA3 H 1 3.421 0.020 . 2 . . . A 11 GLY HA3 . 25205 1 50 . 1 1 12 12 ILE H H 1 8.740 0.020 . 1 . . . A 12 ILE H . 25205 1 51 . 1 1 12 12 ILE HA H 1 4.726 0.020 . 1 . . . A 12 ILE HA . 25205 1 52 . 1 1 12 12 ILE HB H 1 1.919 0.020 . 1 . . . A 12 ILE HB . 25205 1 53 . 1 1 12 12 ILE HG12 H 1 1.452 0.020 . 2 . . . A 12 ILE HG12 . 25205 1 54 . 1 1 12 12 ILE HG13 H 1 1.846 0.020 . 2 . . . A 12 ILE HG13 . 25205 1 55 . 1 1 12 12 ILE HG21 H 1 0.727 0.020 . 1 . . . A 12 ILE HG21 . 25205 1 56 . 1 1 12 12 ILE HG22 H 1 0.727 0.020 . 1 . . . A 12 ILE HG22 . 25205 1 57 . 1 1 12 12 ILE HG23 H 1 0.727 0.020 . 1 . . . A 12 ILE HG23 . 25205 1 58 . 1 1 12 12 ILE HD11 H 1 0.807 0.020 . 1 . . . A 12 ILE HD11 . 25205 1 59 . 1 1 12 12 ILE HD12 H 1 0.807 0.020 . 1 . . . A 12 ILE HD12 . 25205 1 60 . 1 1 12 12 ILE HD13 H 1 0.807 0.020 . 1 . . . A 12 ILE HD13 . 25205 1 61 . 1 1 13 13 TYR H H 1 8.682 0.020 . 1 . . . A 13 TYR H . 25205 1 62 . 1 1 13 13 TYR HA H 1 4.754 0.020 . 1 . . . A 13 TYR HA . 25205 1 63 . 1 1 13 13 TYR HB2 H 1 2.237 0.020 . 2 . . . A 13 TYR HB2 . 25205 1 64 . 1 1 13 13 TYR HB3 H 1 2.678 0.020 . 2 . . . A 13 TYR HB3 . 25205 1 65 . 1 1 13 13 TYR HD1 H 1 6.684 0.020 . 3 . . . A 13 TYR HD1 . 25205 1 66 . 1 1 13 13 TYR HD2 H 1 6.684 0.020 . 3 . . . A 13 TYR HD2 . 25205 1 67 . 1 1 13 13 TYR HE1 H 1 7.023 0.020 . 3 . . . A 13 TYR HE1 . 25205 1 68 . 1 1 13 13 TYR HE2 H 1 7.023 0.020 . 3 . . . A 13 TYR HE2 . 25205 1 69 . 1 1 14 14 TRP H H 1 9.276 0.020 . 1 . . . A 14 TRP H . 25205 1 70 . 1 1 14 14 TRP HA H 1 4.278 0.020 . 1 . . . A 14 TRP HA . 25205 1 71 . 1 1 14 14 TRP HB2 H 1 2.981 0.020 . 2 . . . A 14 TRP HB2 . 25205 1 72 . 1 1 14 14 TRP HB3 H 1 3.051 0.020 . 2 . . . A 14 TRP HB3 . 25205 1 73 . 1 1 14 14 TRP HD1 H 1 7.042 0.020 . 1 . . . A 14 TRP HD1 . 25205 1 74 . 1 1 14 14 TRP HE1 H 1 9.659 0.020 . 1 . . . A 14 TRP HE1 . 25205 1 75 . 1 1 14 14 TRP HE3 H 1 7.736 0.020 . 1 . . . A 14 TRP HE3 . 25205 1 76 . 1 1 14 14 TRP HZ2 H 1 7.669 0.020 . 1 . . . A 14 TRP HZ2 . 25205 1 77 . 1 1 14 14 TRP HZ3 H 1 7.242 0.020 . 1 . . . A 14 TRP HZ3 . 25205 1 78 . 1 1 14 14 TRP HH2 H 1 7.289 0.020 . 1 . . . A 14 TRP HH2 . 25205 1 79 . 1 1 15 15 PHE H H 1 7.794 0.020 . 1 . . . A 15 PHE H . 25205 1 80 . 1 1 15 15 PHE HA H 1 3.836 0.020 . 1 . . . A 15 PHE HA . 25205 1 81 . 1 1 15 15 PHE HB2 H 1 2.765 0.020 . 2 . . . A 15 PHE HB2 . 25205 1 82 . 1 1 15 15 PHE HB3 H 1 2.452 0.020 . 2 . . . A 15 PHE HB3 . 25205 1 83 . 1 1 15 15 PHE HD1 H 1 6.955 0.020 . 3 . . . A 15 PHE HD1 . 25205 1 84 . 1 1 15 15 PHE HD2 H 1 6.955 0.020 . 3 . . . A 15 PHE HD2 . 25205 1 85 . 1 1 15 15 PHE HE1 H 1 7.126 0.020 . 3 . . . A 15 PHE HE1 . 25205 1 86 . 1 1 15 15 PHE HE2 H 1 7.126 0.020 . 3 . . . A 15 PHE HE2 . 25205 1 87 . 1 1 16 16 TYR H H 1 8.599 0.020 . 1 . . . A 16 TYR H . 25205 1 88 . 1 1 16 16 TYR HA H 1 4.244 0.020 . 1 . . . A 16 TYR HA . 25205 1 89 . 1 1 16 16 TYR HB2 H 1 3.288 0.020 . 2 . . . A 16 TYR HB2 . 25205 1 90 . 1 1 16 16 TYR HB3 H 1 2.767 0.020 . 2 . . . A 16 TYR HB3 . 25205 1 91 . 1 1 16 16 TYR HD1 H 1 7.037 0.020 . 3 . . . A 16 TYR HD1 . 25205 1 92 . 1 1 16 16 TYR HD2 H 1 7.037 0.020 . 3 . . . A 16 TYR HD2 . 25205 1 93 . 1 1 16 16 TYR HE1 H 1 6.819 0.020 . 3 . . . A 16 TYR HE1 . 25205 1 94 . 1 1 16 16 TYR HE2 H 1 6.819 0.020 . 3 . . . A 16 TYR HE2 . 25205 1 95 . 1 1 17 17 ARG H H 1 7.355 0.020 . 1 . . . A 17 ARG H . 25205 1 96 . 1 1 17 17 ARG HA H 1 5.002 0.020 . 1 . . . A 17 ARG HA . 25205 1 97 . 1 1 17 17 ARG HB2 H 1 2.068 0.020 . 2 . . . A 17 ARG HB2 . 25205 1 98 . 1 1 17 17 ARG HB3 H 1 1.854 0.020 . 2 . . . A 17 ARG HB3 . 25205 1 99 . 1 1 17 17 ARG HG2 H 1 1.811 0.020 . 2 . . . A 17 ARG HG2 . 25205 1 100 . 1 1 17 17 ARG HG3 H 1 1.811 0.020 . 2 . . . A 17 ARG HG3 . 25205 1 101 . 1 1 17 17 ARG HD2 H 1 3.383 0.020 . 2 . . . A 17 ARG HD2 . 25205 1 102 . 1 1 17 17 ARG HD3 H 1 3.253 0.020 . 2 . . . A 17 ARG HD3 . 25205 1 103 . 1 1 17 17 ARG HE H 1 7.228 0.020 . 1 . . . A 17 ARG HE . 25205 1 104 . 1 1 18 18 PRO HA H 1 4.424 0.020 . 1 . . . A 18 PRO HA . 25205 1 105 . 1 1 18 18 PRO HB2 H 1 2.117 0.020 . 2 . . . A 18 PRO HB2 . 25205 1 106 . 1 1 18 18 PRO HB3 H 1 2.063 0.020 . 2 . . . A 18 PRO HB3 . 25205 1 107 . 1 1 18 18 PRO HG2 H 1 1.909 0.020 . 2 . . . A 18 PRO HG2 . 25205 1 108 . 1 1 18 18 PRO HG3 H 1 2.053 0.020 . 2 . . . A 18 PRO HG3 . 25205 1 109 . 1 1 18 18 PRO HD2 H 1 3.888 0.020 . 2 . . . A 18 PRO HD2 . 25205 1 110 . 1 1 18 18 PRO HD3 H 1 3.789 0.020 . 2 . . . A 18 PRO HD3 . 25205 1 111 . 1 1 19 19 SER H H 1 7.154 0.020 . 1 . . . A 19 SER H . 25205 1 112 . 1 1 19 19 SER HA H 1 4.489 0.020 . 1 . . . A 19 SER HA . 25205 1 113 . 1 1 19 19 SER HB2 H 1 3.752 0.020 . 2 . . . A 19 SER HB2 . 25205 1 114 . 1 1 19 19 SER HB3 H 1 3.752 0.020 . 2 . . . A 19 SER HB3 . 25205 1 115 . 1 1 20 20 CYS H H 1 8.697 0.020 . 1 . . . A 20 CYS H . 25205 1 116 . 1 1 20 20 CYS HA H 1 4.088 0.020 . 1 . . . A 20 CYS HA . 25205 1 117 . 1 1 20 20 CYS HB2 H 1 2.778 0.020 . 2 . . . A 20 CYS HB2 . 25205 1 118 . 1 1 20 20 CYS HB3 H 1 2.827 0.020 . 2 . . . A 20 CYS HB3 . 25205 1 119 . 1 1 21 21 PRO HA H 1 4.349 0.020 . 1 . . . A 21 PRO HA . 25205 1 120 . 1 1 21 21 PRO HB2 H 1 2.111 0.020 . 2 . . . A 21 PRO HB2 . 25205 1 121 . 1 1 21 21 PRO HB3 H 1 1.595 0.020 . 2 . . . A 21 PRO HB3 . 25205 1 122 . 1 1 21 21 PRO HG2 H 1 0.722 0.020 . 2 . . . A 21 PRO HG2 . 25205 1 123 . 1 1 21 21 PRO HG3 H 1 0.812 0.020 . 2 . . . A 21 PRO HG3 . 25205 1 124 . 1 1 21 21 PRO HD2 H 1 2.763 0.020 . 2 . . . A 21 PRO HD2 . 25205 1 125 . 1 1 21 21 PRO HD3 H 1 2.492 0.020 . 2 . . . A 21 PRO HD3 . 25205 1 126 . 1 1 22 22 THR H H 1 8.515 0.020 . 1 . . . A 22 THR H . 25205 1 127 . 1 1 22 22 THR HA H 1 4.215 0.020 . 1 . . . A 22 THR HA . 25205 1 128 . 1 1 22 22 THR HB H 1 4.490 0.020 . 1 . . . A 22 THR HB . 25205 1 129 . 1 1 22 22 THR HG21 H 1 1.177 0.020 . 1 . . . A 22 THR HG21 . 25205 1 130 . 1 1 22 22 THR HG22 H 1 1.177 0.020 . 1 . . . A 22 THR HG22 . 25205 1 131 . 1 1 22 22 THR HG23 H 1 1.177 0.020 . 1 . . . A 22 THR HG23 . 25205 1 132 . 1 1 23 23 ASP H H 1 8.576 0.020 . 1 . . . A 23 ASP H . 25205 1 133 . 1 1 23 23 ASP HA H 1 4.649 0.020 . 1 . . . A 23 ASP HA . 25205 1 134 . 1 1 23 23 ASP HB2 H 1 2.945 0.020 . 2 . . . A 23 ASP HB2 . 25205 1 135 . 1 1 23 23 ASP HB3 H 1 2.518 0.020 . 2 . . . A 23 ASP HB3 . 25205 1 136 . 1 1 24 24 ARG H H 1 8.134 0.020 . 1 . . . A 24 ARG H . 25205 1 137 . 1 1 24 24 ARG HA H 1 4.379 0.020 . 1 . . . A 24 ARG HA . 25205 1 138 . 1 1 24 24 ARG HB2 H 1 1.567 0.020 . 2 . . . A 24 ARG HB2 . 25205 1 139 . 1 1 24 24 ARG HB3 H 1 0.724 0.020 . 2 . . . A 24 ARG HB3 . 25205 1 140 . 1 1 24 24 ARG HG2 H 1 1.313 0.020 . 2 . . . A 24 ARG HG2 . 25205 1 141 . 1 1 24 24 ARG HG3 H 1 1.441 0.020 . 2 . . . A 24 ARG HG3 . 25205 1 142 . 1 1 24 24 ARG HD2 H 1 3.215 0.020 . 2 . . . A 24 ARG HD2 . 25205 1 143 . 1 1 24 24 ARG HD3 H 1 3.189 0.020 . 2 . . . A 24 ARG HD3 . 25205 1 144 . 1 1 24 24 ARG HE H 1 7.929 0.020 . 1 . . . A 24 ARG HE . 25205 1 145 . 1 1 25 25 GLY H H 1 8.262 0.020 . 1 . . . A 25 GLY H . 25205 1 146 . 1 1 25 25 GLY HA2 H 1 3.604 0.020 . 2 . . . A 25 GLY HA2 . 25205 1 147 . 1 1 25 25 GLY HA3 H 1 3.786 0.020 . 2 . . . A 25 GLY HA3 . 25205 1 148 . 1 1 26 26 TYR H H 1 7.786 0.020 . 1 . . . A 26 TYR H . 25205 1 149 . 1 1 26 26 TYR HA H 1 4.835 0.020 . 1 . . . A 26 TYR HA . 25205 1 150 . 1 1 26 26 TYR HB2 H 1 2.754 0.020 . 2 . . . A 26 TYR HB2 . 25205 1 151 . 1 1 26 26 TYR HB3 H 1 3.380 0.020 . 2 . . . A 26 TYR HB3 . 25205 1 152 . 1 1 26 26 TYR HD1 H 1 7.105 0.020 . 3 . . . A 26 TYR HD1 . 25205 1 153 . 1 1 26 26 TYR HD2 H 1 7.105 0.020 . 3 . . . A 26 TYR HD2 . 25205 1 154 . 1 1 26 26 TYR HE1 H 1 6.682 0.020 . 3 . . . A 26 TYR HE1 . 25205 1 155 . 1 1 26 26 TYR HE2 H 1 6.682 0.020 . 3 . . . A 26 TYR HE2 . 25205 1 156 . 1 1 27 27 THR H H 1 9.713 0.020 . 1 . . . A 27 THR H . 25205 1 157 . 1 1 27 27 THR HA H 1 4.573 0.020 . 1 . . . A 27 THR HA . 25205 1 158 . 1 1 27 27 THR HB H 1 4.510 0.020 . 1 . . . A 27 THR HB . 25205 1 159 . 1 1 27 27 THR HG21 H 1 1.218 0.020 . 1 . . . A 27 THR HG21 . 25205 1 160 . 1 1 27 27 THR HG22 H 1 1.218 0.020 . 1 . . . A 27 THR HG22 . 25205 1 161 . 1 1 27 27 THR HG23 H 1 1.218 0.020 . 1 . . . A 27 THR HG23 . 25205 1 162 . 1 1 28 28 GLY H H 1 8.365 0.020 . 1 . . . A 28 GLY H . 25205 1 163 . 1 1 28 28 GLY HA2 H 1 4.474 0.020 . 2 . . . A 28 GLY HA2 . 25205 1 164 . 1 1 28 28 GLY HA3 H 1 3.690 0.020 . 2 . . . A 28 GLY HA3 . 25205 1 165 . 1 1 29 29 SER H H 1 8.085 0.020 . 1 . . . A 29 SER H . 25205 1 166 . 1 1 29 29 SER HA H 1 5.548 0.020 . 1 . . . A 29 SER HA . 25205 1 167 . 1 1 29 29 SER HB2 H 1 3.616 0.020 . 2 . . . A 29 SER HB2 . 25205 1 168 . 1 1 29 29 SER HB3 H 1 4.209 0.020 . 2 . . . A 29 SER HB3 . 25205 1 169 . 1 1 29 29 SER HG H 1 5.549 0.020 . 1 . . . A 29 SER HG . 25205 1 170 . 1 1 30 30 CYS H H 1 8.745 0.020 . 1 . . . A 30 CYS H . 25205 1 171 . 1 1 30 30 CYS HA H 1 4.944 0.020 . 1 . . . A 30 CYS HA . 25205 1 172 . 1 1 30 30 CYS HB2 H 1 3.427 0.020 . 2 . . . A 30 CYS HB2 . 25205 1 173 . 1 1 30 30 CYS HB3 H 1 3.139 0.020 . 2 . . . A 30 CYS HB3 . 25205 1 174 . 1 1 31 31 ARG H H 1 8.694 0.020 . 1 . . . A 31 ARG H . 25205 1 175 . 1 1 31 31 ARG HA H 1 4.448 0.020 . 1 . . . A 31 ARG HA . 25205 1 176 . 1 1 31 31 ARG HB2 H 1 1.752 0.020 . 2 . . . A 31 ARG HB2 . 25205 1 177 . 1 1 31 31 ARG HB3 H 1 1.729 0.020 . 2 . . . A 31 ARG HB3 . 25205 1 178 . 1 1 31 31 ARG HG2 H 1 1.787 0.020 . 2 . . . A 31 ARG HG2 . 25205 1 179 . 1 1 31 31 ARG HG3 H 1 1.650 0.020 . 2 . . . A 31 ARG HG3 . 25205 1 180 . 1 1 31 31 ARG HD2 H 1 3.209 0.020 . 2 . . . A 31 ARG HD2 . 25205 1 181 . 1 1 31 31 ARG HD3 H 1 3.209 0.020 . 2 . . . A 31 ARG HD3 . 25205 1 182 . 1 1 31 31 ARG HE H 1 7.130 0.020 . 1 . . . A 31 ARG HE . 25205 1 183 . 1 1 32 32 TYR H H 1 8.230 0.020 . 1 . . . A 32 TYR H . 25205 1 184 . 1 1 32 32 TYR HA H 1 4.486 0.020 . 1 . . . A 32 TYR HA . 25205 1 185 . 1 1 32 32 TYR HB2 H 1 2.657 0.020 . 2 . . . A 32 TYR HB2 . 25205 1 186 . 1 1 32 32 TYR HB3 H 1 2.820 0.020 . 2 . . . A 32 TYR HB3 . 25205 1 187 . 1 1 32 32 TYR HD1 H 1 6.766 0.020 . 3 . . . A 32 TYR HD1 . 25205 1 188 . 1 1 32 32 TYR HD2 H 1 6.766 0.020 . 3 . . . A 32 TYR HD2 . 25205 1 189 . 1 1 32 32 TYR HE1 H 1 6.688 0.020 . 3 . . . A 32 TYR HE1 . 25205 1 190 . 1 1 32 32 TYR HE2 H 1 6.688 0.020 . 3 . . . A 32 TYR HE2 . 25205 1 191 . 1 1 33 33 PHE H H 1 8.581 0.020 . 1 . . . A 33 PHE H . 25205 1 192 . 1 1 33 33 PHE HA H 1 4.038 0.020 . 1 . . . A 33 PHE HA . 25205 1 193 . 1 1 33 33 PHE HB2 H 1 2.989 0.020 . 2 . . . A 33 PHE HB2 . 25205 1 194 . 1 1 33 33 PHE HB3 H 1 3.032 0.020 . 2 . . . A 33 PHE HB3 . 25205 1 195 . 1 1 33 33 PHE HD1 H 1 6.827 0.020 . 3 . . . A 33 PHE HD1 . 25205 1 196 . 1 1 33 33 PHE HD2 H 1 6.827 0.020 . 3 . . . A 33 PHE HD2 . 25205 1 197 . 1 1 33 33 PHE HE1 H 1 7.215 0.020 . 3 . . . A 33 PHE HE1 . 25205 1 198 . 1 1 33 33 PHE HE2 H 1 7.215 0.020 . 3 . . . A 33 PHE HE2 . 25205 1 199 . 1 1 34 34 LEU H H 1 7.972 0.020 . 1 . . . A 34 LEU H . 25205 1 200 . 1 1 34 34 LEU HA H 1 4.523 0.020 . 1 . . . A 34 LEU HA . 25205 1 201 . 1 1 34 34 LEU HB2 H 1 1.742 0.020 . 2 . . . A 34 LEU HB2 . 25205 1 202 . 1 1 34 34 LEU HB3 H 1 1.787 0.020 . 2 . . . A 34 LEU HB3 . 25205 1 203 . 1 1 34 34 LEU HG H 1 1.382 0.020 . 1 . . . A 34 LEU HG . 25205 1 204 . 1 1 34 34 LEU HD11 H 1 0.952 0.020 . 2 . . . A 34 LEU HD11 . 25205 1 205 . 1 1 34 34 LEU HD12 H 1 0.952 0.020 . 2 . . . A 34 LEU HD12 . 25205 1 206 . 1 1 34 34 LEU HD13 H 1 0.952 0.020 . 2 . . . A 34 LEU HD13 . 25205 1 207 . 1 1 34 34 LEU HD21 H 1 0.840 0.020 . 2 . . . A 34 LEU HD21 . 25205 1 208 . 1 1 34 34 LEU HD22 H 1 0.840 0.020 . 2 . . . A 34 LEU HD22 . 25205 1 209 . 1 1 34 34 LEU HD23 H 1 0.840 0.020 . 2 . . . A 34 LEU HD23 . 25205 1 210 . 1 1 35 35 GLY H H 1 8.290 0.020 . 1 . . . A 35 GLY H . 25205 1 211 . 1 1 35 35 GLY HA2 H 1 4.347 0.020 . 2 . . . A 35 GLY HA2 . 25205 1 212 . 1 1 35 35 GLY HA3 H 1 4.347 0.020 . 2 . . . A 35 GLY HA3 . 25205 1 213 . 1 1 36 36 THR H H 1 8.408 0.020 . 1 . . . A 36 THR H . 25205 1 214 . 1 1 36 36 THR HA H 1 4.792 0.020 . 1 . . . A 36 THR HA . 25205 1 215 . 1 1 36 36 THR HB H 1 3.532 0.020 . 1 . . . A 36 THR HB . 25205 1 216 . 1 1 36 36 THR HG1 H 1 5.592 0.020 . 1 . . . A 36 THR HG1 . 25205 1 217 . 1 1 36 36 THR HG21 H 1 1.076 0.020 . 1 . . . A 36 THR HG21 . 25205 1 218 . 1 1 36 36 THR HG22 H 1 1.076 0.020 . 1 . . . A 36 THR HG22 . 25205 1 219 . 1 1 36 36 THR HG23 H 1 1.076 0.020 . 1 . . . A 36 THR HG23 . 25205 1 220 . 1 1 37 37 CYS H H 1 9.382 0.020 . 1 . . . A 37 CYS H . 25205 1 221 . 1 1 37 37 CYS HA H 1 5.070 0.020 . 1 . . . A 37 CYS HA . 25205 1 222 . 1 1 37 37 CYS HB2 H 1 2.143 0.020 . 2 . . . A 37 CYS HB2 . 25205 1 223 . 1 1 37 37 CYS HB3 H 1 3.342 0.020 . 2 . . . A 37 CYS HB3 . 25205 1 224 . 1 1 38 38 CYS H H 1 8.664 0.020 . 1 . . . A 38 CYS H . 25205 1 225 . 1 1 38 38 CYS HA H 1 4.626 0.020 . 1 . . . A 38 CYS HA . 25205 1 226 . 1 1 38 38 CYS HB2 H 1 2.051 0.020 . 2 . . . A 38 CYS HB2 . 25205 1 227 . 1 1 38 38 CYS HB3 H 1 1.143 0.020 . 2 . . . A 38 CYS HB3 . 25205 1 228 . 1 1 39 39 THR H H 1 8.337 0.020 . 1 . . . A 39 THR H . 25205 1 229 . 1 1 39 39 THR HA H 1 4.707 0.020 . 1 . . . A 39 THR HA . 25205 1 230 . 1 1 39 39 THR HB H 1 4.001 0.020 . 1 . . . A 39 THR HB . 25205 1 231 . 1 1 39 39 THR HG1 H 1 5.547 0.020 . 1 . . . A 39 THR HG1 . 25205 1 232 . 1 1 39 39 THR HG21 H 1 0.590 0.020 . 1 . . . A 39 THR HG21 . 25205 1 233 . 1 1 39 39 THR HG22 H 1 0.590 0.020 . 1 . . . A 39 THR HG22 . 25205 1 234 . 1 1 39 39 THR HG23 H 1 0.590 0.020 . 1 . . . A 39 THR HG23 . 25205 1 235 . 1 1 40 40 PRO HA H 1 4.947 0.020 . 1 . . . A 40 PRO HA . 25205 1 236 . 1 1 40 40 PRO HB2 H 1 2.523 0.020 . 2 . . . A 40 PRO HB2 . 25205 1 237 . 1 1 40 40 PRO HB3 H 1 2.295 0.020 . 2 . . . A 40 PRO HB3 . 25205 1 238 . 1 1 40 40 PRO HG2 H 1 2.024 0.020 . 2 . . . A 40 PRO HG2 . 25205 1 239 . 1 1 40 40 PRO HG3 H 1 1.971 0.020 . 2 . . . A 40 PRO HG3 . 25205 1 240 . 1 1 40 40 PRO HD2 H 1 4.048 0.020 . 2 . . . A 40 PRO HD2 . 25205 1 241 . 1 1 40 40 PRO HD3 H 1 3.926 0.020 . 2 . . . A 40 PRO HD3 . 25205 1 242 . 1 1 41 41 ALA H H 1 7.610 0.020 . 1 . . . A 41 ALA H . 25205 1 243 . 1 1 41 41 ALA HA H 1 4.209 0.020 . 1 . . . A 41 ALA HA . 25205 1 244 . 1 1 41 41 ALA HB1 H 1 1.276 0.020 . 1 . . . A 41 ALA HB1 . 25205 1 245 . 1 1 41 41 ALA HB2 H 1 1.276 0.020 . 1 . . . A 41 ALA HB2 . 25205 1 246 . 1 1 41 41 ALA HB3 H 1 1.276 0.020 . 1 . . . A 41 ALA HB3 . 25205 1 247 . 1 1 42 42 ASP H H 1 8.273 0.020 . 1 . . . A 42 ASP H . 25205 1 248 . 1 1 42 42 ASP HA H 1 4.387 0.020 . 1 . . . A 42 ASP HA . 25205 1 249 . 1 1 42 42 ASP HB2 H 1 2.708 0.020 . 2 . . . A 42 ASP HB2 . 25205 1 250 . 1 1 42 42 ASP HB3 H 1 2.708 0.020 . 2 . . . A 42 ASP HB3 . 25205 1 stop_ save_