################################### # 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 25152 _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' . . . 25152 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 CYS HA H 1 4.683 0.001 . 1 . . . A 1 CYS HA . 25152 1 2 . 1 1 1 1 CYS HB2 H 1 3.005 0.002 . 1 . . . A 1 CYS HB2 . 25152 1 3 . 1 1 1 1 CYS HB3 H 1 3.005 0.002 . 1 . . . A 1 CYS HB3 . 25152 1 4 . 1 1 1 1 CYS H H 1 8.743 0.001 . 1 . . . A 1 CYS H1 . 25152 1 5 . 1 1 2 2 GLU H H 1 8.514 0.001 . 1 . . . A 2 GLU H . 25152 1 6 . 1 1 2 2 GLU HA H 1 4.461 0.003 . 1 . . . A 2 GLU HA . 25152 1 7 . 1 1 2 2 GLU HB2 H 1 2.041 0.000 . 2 . . . A 2 GLU HB2 . 25152 1 8 . 1 1 2 2 GLU HB3 H 1 2.227 0.003 . 2 . . . A 2 GLU HB3 . 25152 1 9 . 1 1 2 2 GLU HG2 H 1 2.478 0.001 . 1 . . . A 2 GLU HG2 . 25152 1 10 . 1 1 2 2 GLU HG3 H 1 2.478 0.001 . 1 . . . A 2 GLU HG3 . 25152 1 11 . 1 1 3 3 ALA H H 1 8.119 0.001 . 1 . . . A 3 ALA H . 25152 1 12 . 1 1 3 3 ALA HA H 1 4.433 0.002 . 1 . . . A 3 ALA HA . 25152 1 13 . 1 1 3 3 ALA HB1 H 1 1.392 0.001 . 1 . . . A 3 ALA HB1 . 25152 1 14 . 1 1 3 3 ALA HB2 H 1 1.392 0.001 . 1 . . . A 3 ALA HB2 . 25152 1 15 . 1 1 3 3 ALA HB3 H 1 1.392 0.001 . 1 . . . A 3 ALA HB3 . 25152 1 16 . 1 1 4 4 ILE H H 1 7.883 0.002 . 1 . . . A 4 ILE H . 25152 1 17 . 1 1 4 4 ILE HA H 1 4.049 0.002 . 1 . . . A 4 ILE HA . 25152 1 18 . 1 1 4 4 ILE HB H 1 1.801 0.002 . 1 . . . A 4 ILE HB . 25152 1 19 . 1 1 4 4 ILE HG12 H 1 1.290 0.004 . 2 . . . A 4 ILE HG12 . 25152 1 20 . 1 1 4 4 ILE HG13 H 1 1.081 0.002 . 2 . . . A 4 ILE HG13 . 25152 1 21 . 1 1 4 4 ILE HG21 H 1 0.752 0.003 . 1 . . . A 4 ILE HG21 . 25152 1 22 . 1 1 4 4 ILE HG22 H 1 0.752 0.003 . 1 . . . A 4 ILE HG22 . 25152 1 23 . 1 1 4 4 ILE HG23 H 1 0.752 0.003 . 1 . . . A 4 ILE HG23 . 25152 1 24 . 1 1 4 4 ILE HD11 H 1 0.859 0.002 . 1 . . . A 4 ILE HD11 . 25152 1 25 . 1 1 4 4 ILE HD12 H 1 0.859 0.002 . 1 . . . A 4 ILE HD12 . 25152 1 26 . 1 1 4 4 ILE HD13 H 1 0.859 0.002 . 1 . . . A 4 ILE HD13 . 25152 1 27 . 1 1 5 5 TYR H H 1 7.991 0.001 . 1 . . . A 5 TYR H . 25152 1 28 . 1 1 5 5 TYR HA H 1 4.566 0.002 . 1 . . . A 5 TYR HA . 25152 1 29 . 1 1 5 5 TYR HB2 H 1 3.012 0.002 . 2 . . . A 5 TYR HB2 . 25152 1 30 . 1 1 5 5 TYR HB3 H 1 3.171 0.002 . 2 . . . A 5 TYR HB3 . 25152 1 31 . 1 1 5 5 TYR HD1 H 1 7.202 0.002 . 3 . . . A 5 TYR HD1 . 25152 1 32 . 1 1 5 5 TYR HD2 H 1 7.202 0.002 . 3 . . . A 5 TYR HD2 . 25152 1 33 . 1 1 5 5 TYR HE1 H 1 6.901 0.001 . 3 . . . A 5 TYR HE1 . 25152 1 34 . 1 1 5 5 TYR HE2 H 1 6.901 0.001 . 3 . . . A 5 TYR HE2 . 25152 1 35 . 1 1 6 6 ALA H H 1 8.070 0.002 . 1 . . . A 6 ALA H . 25152 1 36 . 1 1 6 6 ALA HA H 1 4.288 0.001 . 1 . . . A 6 ALA HA . 25152 1 37 . 1 1 6 6 ALA HB1 H 1 1.366 0.001 . 1 . . . A 6 ALA HB1 . 25152 1 38 . 1 1 6 6 ALA HB2 H 1 1.366 0.001 . 1 . . . A 6 ALA HB2 . 25152 1 39 . 1 1 6 6 ALA HB3 H 1 1.366 0.001 . 1 . . . A 6 ALA HB3 . 25152 1 40 . 1 1 7 7 ALA H H 1 8.090 0.001 . 1 . . . A 7 ALA H . 25152 1 41 . 1 1 7 7 ALA HA H 1 4.543 0.002 . 1 . . . A 7 ALA HA . 25152 1 42 . 1 1 7 7 ALA HB1 H 1 1.482 0.004 . 1 . . . A 7 ALA HB1 . 25152 1 43 . 1 1 7 7 ALA HB2 H 1 1.482 0.004 . 1 . . . A 7 ALA HB2 . 25152 1 44 . 1 1 7 7 ALA HB3 H 1 1.482 0.004 . 1 . . . A 7 ALA HB3 . 25152 1 45 . 1 1 8 8 PRO HA H 1 4.660 0.001 . 1 . . . A 8 PRO HA . 25152 1 46 . 1 1 8 8 PRO HB2 H 1 2.393 0.002 . 2 . . . A 8 PRO HB2 . 25152 1 47 . 1 1 8 8 PRO HB3 H 1 2.134 0.001 . 2 . . . A 8 PRO HB3 . 25152 1 48 . 1 1 8 8 PRO HG2 H 1 2.134 0.001 . 2 . . . A 8 PRO HG2 . 25152 1 49 . 1 1 8 8 PRO HG3 H 1 2.066 0.001 . 2 . . . A 8 PRO HG3 . 25152 1 50 . 1 1 8 8 PRO HD2 H 1 3.989 0.003 . 2 . . . A 8 PRO HD2 . 25152 1 51 . 1 1 8 8 PRO HD3 H 1 3.574 0.006 . 2 . . . A 8 PRO HD3 . 25152 1 52 . 1 1 9 9 LYS H H 1 8.215 0.001 . 1 . . . A 9 LYS H . 25152 1 53 . 1 1 9 9 LYS HA H 1 4.427 0.002 . 1 . . . A 9 LYS HA . 25152 1 54 . 1 1 9 9 LYS HB2 H 1 1.762 0.003 . 1 . . . A 9 LYS HB2 . 25152 1 55 . 1 1 9 9 LYS HB3 H 1 1.762 0.003 . 1 . . . A 9 LYS HB3 . 25152 1 56 . 1 1 9 9 LYS HG2 H 1 1.466 0.006 . 2 . . . A 9 LYS HG2 . 25152 1 57 . 1 1 9 9 LYS HG3 H 1 1.109 0.003 . 2 . . . A 9 LYS HG3 . 25152 1 58 . 1 1 9 9 LYS HD2 H 1 1.610 0.005 . 1 . . . A 9 LYS HD2 . 25152 1 59 . 1 1 9 9 LYS HD3 H 1 1.610 0.005 . 1 . . . A 9 LYS HD3 . 25152 1 60 . 1 1 9 9 LYS HE2 H 1 3.006 0.000 . 1 . . . A 9 LYS HE2 . 25152 1 61 . 1 1 9 9 LYS HE3 H 1 3.006 0.000 . 1 . . . A 9 LYS HE3 . 25152 1 62 . 1 1 9 9 LYS HZ1 H 1 7.515 0.001 . 1 . . . A 9 LYS HZ1 . 25152 1 63 . 1 1 9 9 LYS HZ2 H 1 7.515 0.001 . 1 . . . A 9 LYS HZ2 . 25152 1 64 . 1 1 9 9 LYS HZ3 H 1 7.515 0.001 . 1 . . . A 9 LYS HZ3 . 25152 1 65 . 1 1 10 10 CYS H H 1 8.416 0.001 . 1 . . . A 10 CYS H . 25152 1 66 . 1 1 10 10 CYS HA H 1 4.897 0.001 . 1 . . . A 10 CYS HA . 25152 1 67 . 1 1 10 10 CYS HB2 H 1 3.248 0.001 . 2 . . . A 10 CYS HB2 . 25152 1 68 . 1 1 10 10 CYS HB3 H 1 3.098 0.002 . 2 . . . A 10 CYS HB3 . 25152 1 69 . 1 1 11 11 ARG H H 1 9.500 0.000 . 1 . . . A 11 ARG H . 25152 1 70 . 1 1 11 11 ARG HA H 1 4.496 0.001 . 1 . . . A 11 ARG HA . 25152 1 71 . 1 1 11 11 ARG HB2 H 1 1.812 0.001 . 2 . . . A 11 ARG HB2 . 25152 1 72 . 1 1 11 11 ARG HB3 H 1 1.948 0.000 . 2 . . . A 11 ARG HB3 . 25152 1 73 . 1 1 11 11 ARG HG2 H 1 1.698 0.001 . 1 . . . A 11 ARG HG2 . 25152 1 74 . 1 1 11 11 ARG HG3 H 1 1.698 0.001 . 1 . . . A 11 ARG HG3 . 25152 1 75 . 1 1 11 11 ARG HD2 H 1 3.254 0.003 . 1 . . . A 11 ARG HD2 . 25152 1 76 . 1 1 11 11 ARG HD3 H 1 3.254 0.003 . 1 . . . A 11 ARG HD3 . 25152 1 77 . 1 1 11 11 ARG HE H 1 7.381 0.000 . 1 . . . A 11 ARG HE . 25152 1 78 . 1 1 12 12 ARG H H 1 8.144 0.001 . 1 . . . A 12 ARG H . 25152 1 79 . 1 1 12 12 ARG HA H 1 4.790 0.002 . 1 . . . A 12 ARG HA . 25152 1 80 . 1 1 12 12 ARG HB2 H 1 2.094 0.002 . 2 . . . A 12 ARG HB2 . 25152 1 81 . 1 1 12 12 ARG HB3 H 1 1.872 0.002 . 2 . . . A 12 ARG HB3 . 25152 1 82 . 1 1 12 12 ARG HG2 H 1 1.523 0.004 . 2 . . . A 12 ARG HG2 . 25152 1 83 . 1 1 12 12 ARG HG3 H 1 1.633 0.003 . 2 . . . A 12 ARG HG3 . 25152 1 84 . 1 1 12 12 ARG HD2 H 1 3.233 0.007 . 1 . . . A 12 ARG HD2 . 25152 1 85 . 1 1 12 12 ARG HD3 H 1 3.233 0.007 . 1 . . . A 12 ARG HD3 . 25152 1 86 . 1 1 12 12 ARG HE H 1 7.226 0.004 . 1 . . . A 12 ARG HE . 25152 1 87 . 1 1 13 13 ASP H H 1 9.262 0.001 . 1 . . . A 13 ASP H . 25152 1 88 . 1 1 13 13 ASP HA H 1 4.205 0.002 . 1 . . . A 13 ASP HA . 25152 1 89 . 1 1 13 13 ASP HB2 H 1 2.837 0.005 . 2 . . . A 13 ASP HB2 . 25152 1 90 . 1 1 13 13 ASP HB3 H 1 2.995 0.007 . 2 . . . A 13 ASP HB3 . 25152 1 91 . 1 1 14 14 SER H H 1 8.233 0.001 . 1 . . . A 14 SER H . 25152 1 92 . 1 1 14 14 SER HA H 1 4.370 0.000 . 1 . . . A 14 SER HA . 25152 1 93 . 1 1 14 14 SER HB2 H 1 3.901 0.003 . 2 . . . A 14 SER HB2 . 25152 1 94 . 1 1 14 14 SER HB3 H 1 4.186 0.001 . 2 . . . A 14 SER HB3 . 25152 1 95 . 1 1 15 15 ASP H H 1 7.802 0.001 . 1 . . . A 15 ASP H . 25152 1 96 . 1 1 15 15 ASP HA H 1 4.697 0.001 . 1 . . . A 15 ASP HA . 25152 1 97 . 1 1 15 15 ASP HB2 H 1 3.081 0.003 . 1 . . . A 15 ASP HB2 . 25152 1 98 . 1 1 15 15 ASP HB3 H 1 3.081 0.003 . 1 . . . A 15 ASP HB3 . 25152 1 99 . 1 1 16 16 CYS H H 1 8.184 0.001 . 1 . . . A 16 CYS H . 25152 1 100 . 1 1 16 16 CYS HA H 1 5.141 0.002 . 1 . . . A 16 CYS HA . 25152 1 101 . 1 1 16 16 CYS HB2 H 1 3.022 0.002 . 2 . . . A 16 CYS HB2 . 25152 1 102 . 1 1 16 16 CYS HB3 H 1 2.706 0.002 . 2 . . . A 16 CYS HB3 . 25152 1 103 . 1 1 17 17 PRO HA H 1 4.672 0.004 . 1 . . . A 17 PRO HA . 25152 1 104 . 1 1 17 17 PRO HB2 H 1 2.018 0.003 . 2 . . . A 17 PRO HB2 . 25152 1 105 . 1 1 17 17 PRO HB3 H 1 2.352 0.002 . 2 . . . A 17 PRO HB3 . 25152 1 106 . 1 1 17 17 PRO HG2 H 1 2.142 0.000 . 1 . . . A 17 PRO HG2 . 25152 1 107 . 1 1 17 17 PRO HG3 H 1 2.142 0.000 . 1 . . . A 17 PRO HG3 . 25152 1 108 . 1 1 17 17 PRO HD2 H 1 3.464 0.002 . 2 . . . A 17 PRO HD2 . 25152 1 109 . 1 1 17 17 PRO HD3 H 1 3.994 0.001 . 2 . . . A 17 PRO HD3 . 25152 1 110 . 1 1 18 18 GLY H H 1 8.579 0.002 . 1 . . . A 18 GLY H . 25152 1 111 . 1 1 18 18 GLY HA2 H 1 3.881 0.001 . 1 . . . A 18 GLY HA2 . 25152 1 112 . 1 1 18 18 GLY HA3 H 1 3.881 0.001 . 1 . . . A 18 GLY HA3 . 25152 1 113 . 1 1 19 19 ALA H H 1 8.626 0.002 . 1 . . . A 19 ALA H . 25152 1 114 . 1 1 19 19 ALA HA H 1 4.463 0.000 . 1 . . . A 19 ALA HA . 25152 1 115 . 1 1 19 19 ALA HB1 H 1 1.459 0.000 . 1 . . . A 19 ALA HB1 . 25152 1 116 . 1 1 19 19 ALA HB2 H 1 1.459 0.000 . 1 . . . A 19 ALA HB2 . 25152 1 117 . 1 1 19 19 ALA HB3 H 1 1.459 0.000 . 1 . . . A 19 ALA HB3 . 25152 1 118 . 1 1 20 20 CYS H H 1 8.172 0.001 . 1 . . . A 20 CYS H . 25152 1 119 . 1 1 20 20 CYS HA H 1 4.713 0.002 . 1 . . . A 20 CYS HA . 25152 1 120 . 1 1 20 20 CYS HB2 H 1 3.243 0.007 . 2 . . . A 20 CYS HB2 . 25152 1 121 . 1 1 20 20 CYS HB3 H 1 3.323 0.002 . 2 . . . A 20 CYS HB3 . 25152 1 122 . 1 1 21 21 ILE H H 1 8.947 0.003 . 1 . . . A 21 ILE H . 25152 1 123 . 1 1 21 21 ILE HA H 1 4.501 0.002 . 1 . . . A 21 ILE HA . 25152 1 124 . 1 1 21 21 ILE HB H 1 1.999 0.002 . 1 . . . A 21 ILE HB . 25152 1 125 . 1 1 21 21 ILE HG12 H 1 1.177 0.004 . 2 . . . A 21 ILE HG12 . 25152 1 126 . 1 1 21 21 ILE HG13 H 1 1.047 0.001 . 2 . . . A 21 ILE HG13 . 25152 1 127 . 1 1 21 21 ILE HG21 H 1 0.905 0.003 . 1 . . . A 21 ILE HG21 . 25152 1 128 . 1 1 21 21 ILE HG22 H 1 0.905 0.003 . 1 . . . A 21 ILE HG22 . 25152 1 129 . 1 1 21 21 ILE HG23 H 1 0.905 0.003 . 1 . . . A 21 ILE HG23 . 25152 1 130 . 1 1 21 21 ILE HD11 H 1 0.857 0.016 . 1 . . . A 21 ILE HD11 . 25152 1 131 . 1 1 21 21 ILE HD12 H 1 0.857 0.016 . 1 . . . A 21 ILE HD12 . 25152 1 132 . 1 1 21 21 ILE HD13 H 1 0.857 0.016 . 1 . . . A 21 ILE HD13 . 25152 1 133 . 1 1 22 22 CYS H H 1 9.234 0.001 . 1 . . . A 22 CYS H . 25152 1 134 . 1 1 22 22 CYS HA H 1 4.934 0.008 . 1 . . . A 22 CYS HA . 25152 1 135 . 1 1 22 22 CYS HB2 H 1 2.856 0.003 . 2 . . . A 22 CYS HB2 . 25152 1 136 . 1 1 22 22 CYS HB3 H 1 2.571 0.002 . 2 . . . A 22 CYS HB3 . 25152 1 137 . 1 1 23 23 ARG H H 1 8.231 0.002 . 1 . . . A 23 ARG H . 25152 1 138 . 1 1 23 23 ARG HA H 1 4.412 0.001 . 1 . . . A 23 ARG HA . 25152 1 139 . 1 1 23 23 ARG HB2 H 1 2.075 0.003 . 2 . . . A 23 ARG HB2 . 25152 1 140 . 1 1 23 23 ARG HB3 H 1 2.455 0.003 . 2 . . . A 23 ARG HB3 . 25152 1 141 . 1 1 23 23 ARG HG2 H 1 1.776 0.002 . 2 . . . A 23 ARG HG2 . 25152 1 142 . 1 1 23 23 ARG HG3 H 1 1.637 0.003 . 2 . . . A 23 ARG HG3 . 25152 1 143 . 1 1 23 23 ARG HD2 H 1 3.256 0.000 . 1 . . . A 23 ARG HD2 . 25152 1 144 . 1 1 23 23 ARG HD3 H 1 3.256 0.000 . 1 . . . A 23 ARG HD3 . 25152 1 145 . 1 1 23 23 ARG HE H 1 7.060 0.000 . 1 . . . A 23 ARG HE . 25152 1 146 . 1 1 24 24 GLY H H 1 8.892 0.001 . 1 . . . A 24 GLY H . 25152 1 147 . 1 1 24 24 GLY HA2 H 1 3.981 0.001 . 1 . . . A 24 GLY HA2 . 25152 1 148 . 1 1 24 24 GLY HA3 H 1 3.981 0.001 . 1 . . . A 24 GLY HA3 . 25152 1 149 . 1 1 25 25 ASN H H 1 7.912 0.001 . 1 . . . A 25 ASN H . 25152 1 150 . 1 1 25 25 ASN HA H 1 4.748 0.001 . 1 . . . A 25 ASN HA . 25152 1 151 . 1 1 25 25 ASN HB2 H 1 2.935 0.002 . 2 . . . A 25 ASN HB2 . 25152 1 152 . 1 1 25 25 ASN HB3 H 1 3.346 0.001 . 2 . . . A 25 ASN HB3 . 25152 1 153 . 1 1 25 25 ASN HD21 H 1 6.595 0.000 . 2 . . . A 25 ASN HD21 . 25152 1 154 . 1 1 25 25 ASN HD22 H 1 7.618 0.001 . 2 . . . A 25 ASN HD22 . 25152 1 155 . 1 1 26 26 GLY H H 1 8.406 0.002 . 1 . . . A 26 GLY H . 25152 1 156 . 1 1 26 26 GLY HA2 H 1 4.062 0.002 . 2 . . . A 26 GLY HA2 . 25152 1 157 . 1 1 26 26 GLY HA3 H 1 3.754 0.002 . 2 . . . A 26 GLY HA3 . 25152 1 158 . 1 1 27 27 TYR H H 1 7.365 0.002 . 1 . . . A 27 TYR H . 25152 1 159 . 1 1 27 27 TYR HA H 1 5.111 0.001 . 1 . . . A 27 TYR HA . 25152 1 160 . 1 1 27 27 TYR HB2 H 1 2.915 0.002 . 2 . . . A 27 TYR HB2 . 25152 1 161 . 1 1 27 27 TYR HB3 H 1 2.694 0.002 . 2 . . . A 27 TYR HB3 . 25152 1 162 . 1 1 27 27 TYR HD1 H 1 6.996 0.002 . 3 . . . A 27 TYR HD1 . 25152 1 163 . 1 1 27 27 TYR HD2 H 1 6.996 0.002 . 3 . . . A 27 TYR HD2 . 25152 1 164 . 1 1 27 27 TYR HE1 H 1 6.860 0.018 . 3 . . . A 27 TYR HE1 . 25152 1 165 . 1 1 27 27 TYR HE2 H 1 6.860 0.018 . 3 . . . A 27 TYR HE2 . 25152 1 166 . 1 1 28 28 CYS H H 1 8.779 0.001 . 1 . . . A 28 CYS H . 25152 1 167 . 1 1 28 28 CYS HA H 1 5.404 0.002 . 1 . . . A 28 CYS HA . 25152 1 168 . 1 1 28 28 CYS HB2 H 1 2.853 0.001 . 1 . . . A 28 CYS HB2 . 25152 1 169 . 1 1 28 28 CYS HB3 H 1 2.853 0.001 . 1 . . . A 28 CYS HB3 . 25152 1 170 . 1 1 29 29 GLY H H 1 9.745 0.001 . 1 . . . A 29 GLY H . 25152 1 171 . 1 1 29 29 GLY HA2 H 1 3.889 0.002 . 2 . . . A 29 GLY HA2 . 25152 1 172 . 1 1 29 29 GLY HA3 H 1 4.511 0.001 . 2 . . . A 29 GLY HA3 . 25152 1 173 . 1 1 30 30 GLU H H 1 8.585 0.002 . 1 . . . A 30 GLU H . 25152 1 174 . 1 1 30 30 GLU HA H 1 4.503 0.002 . 1 . . . A 30 GLU HA . 25152 1 175 . 1 1 30 30 GLU HB2 H 1 2.084 0.002 . 2 . . . A 30 GLU HB2 . 25152 1 176 . 1 1 30 30 GLU HB3 H 1 1.989 0.004 . 2 . . . A 30 GLU HB3 . 25152 1 177 . 1 1 30 30 GLU HG2 H 1 2.577 0.000 . 1 . . . A 30 GLU HG2 . 25152 1 178 . 1 1 30 30 GLU HG3 H 1 2.577 0.000 . 1 . . . A 30 GLU HG3 . 25152 1 179 . 1 1 31 31 ALA H H 1 8.829 0.002 . 1 . . . A 31 ALA H . 25152 1 180 . 1 1 31 31 ALA HA H 1 4.254 0.002 . 1 . . . A 31 ALA HA . 25152 1 181 . 1 1 31 31 ALA HB1 H 1 1.362 0.002 . 1 . . . A 31 ALA HB1 . 25152 1 182 . 1 1 31 31 ALA HB2 H 1 1.362 0.002 . 1 . . . A 31 ALA HB2 . 25152 1 183 . 1 1 31 31 ALA HB3 H 1 1.362 0.002 . 1 . . . A 31 ALA HB3 . 25152 1 184 . 1 1 32 32 ILE H H 1 8.156 0.003 . 1 . . . A 32 ILE H . 25152 1 185 . 1 1 32 32 ILE HA H 1 3.965 0.000 . 1 . . . A 32 ILE HA . 25152 1 186 . 1 1 32 32 ILE HB H 1 1.769 0.001 . 1 . . . A 32 ILE HB . 25152 1 187 . 1 1 32 32 ILE HG12 H 1 1.147 0.001 . 2 . . . A 32 ILE HG12 . 25152 1 188 . 1 1 32 32 ILE HG13 H 1 1.385 0.001 . 2 . . . A 32 ILE HG13 . 25152 1 189 . 1 1 32 32 ILE HG21 H 1 0.768 0.001 . 1 . . . A 32 ILE HG21 . 25152 1 190 . 1 1 32 32 ILE HG22 H 1 0.768 0.001 . 1 . . . A 32 ILE HG22 . 25152 1 191 . 1 1 32 32 ILE HG23 H 1 0.768 0.001 . 1 . . . A 32 ILE HG23 . 25152 1 192 . 1 1 32 32 ILE HD11 H 1 0.879 0.002 . 1 . . . A 32 ILE HD11 . 25152 1 193 . 1 1 32 32 ILE HD12 H 1 0.879 0.002 . 1 . . . A 32 ILE HD12 . 25152 1 194 . 1 1 32 32 ILE HD13 H 1 0.879 0.002 . 1 . . . A 32 ILE HD13 . 25152 1 195 . 1 1 33 33 TYR H H 1 7.746 0.001 . 1 . . . A 33 TYR H . 25152 1 196 . 1 1 33 33 TYR HA H 1 4.633 0.001 . 1 . . . A 33 TYR HA . 25152 1 197 . 1 1 33 33 TYR HB2 H 1 3.065 0.002 . 2 . . . A 33 TYR HB2 . 25152 1 198 . 1 1 33 33 TYR HB3 H 1 3.112 0.000 . 2 . . . A 33 TYR HB3 . 25152 1 199 . 1 1 33 33 TYR HD1 H 1 7.167 0.001 . 3 . . . A 33 TYR HD1 . 25152 1 200 . 1 1 33 33 TYR HD2 H 1 7.167 0.001 . 3 . . . A 33 TYR HD2 . 25152 1 201 . 1 1 33 33 TYR HE1 H 1 6.890 0.000 . 3 . . . A 33 TYR HE1 . 25152 1 202 . 1 1 33 33 TYR HE2 H 1 6.890 0.000 . 3 . . . A 33 TYR HE2 . 25152 1 203 . 1 1 34 34 ALA H H 1 7.802 0.001 . 1 . . . A 34 ALA H . 25152 1 204 . 1 1 34 34 ALA HA H 1 4.262 0.001 . 1 . . . A 34 ALA HA . 25152 1 205 . 1 1 34 34 ALA HB1 H 1 1.384 0.000 . 1 . . . A 34 ALA HB1 . 25152 1 206 . 1 1 34 34 ALA HB2 H 1 1.384 0.000 . 1 . . . A 34 ALA HB2 . 25152 1 207 . 1 1 34 34 ALA HB3 H 1 1.384 0.000 . 1 . . . A 34 ALA HB3 . 25152 1 208 . 1 1 35 35 ALA H H 1 8.169 0.001 . 1 . . . A 35 ALA H . 25152 1 209 . 1 1 35 35 ALA HA H 1 4.544 0.000 . 1 . . . A 35 ALA HA . 25152 1 210 . 1 1 35 35 ALA HB1 H 1 1.320 0.004 . 1 . . . A 35 ALA HB1 . 25152 1 211 . 1 1 35 35 ALA HB2 H 1 1.320 0.004 . 1 . . . A 35 ALA HB2 . 25152 1 212 . 1 1 35 35 ALA HB3 H 1 1.320 0.004 . 1 . . . A 35 ALA HB3 . 25152 1 213 . 1 1 36 36 PRO HA H 1 4.286 0.001 . 1 . . . A 36 PRO HA . 25152 1 214 . 1 1 36 36 PRO HB2 H 1 2.190 0.003 . 2 . . . A 36 PRO HB2 . 25152 1 215 . 1 1 36 36 PRO HB3 H 1 1.706 0.002 . 2 . . . A 36 PRO HB3 . 25152 1 216 . 1 1 36 36 PRO HG2 H 1 2.011 0.004 . 1 . . . A 36 PRO HG2 . 25152 1 217 . 1 1 36 36 PRO HG3 H 1 2.011 0.004 . 1 . . . A 36 PRO HG3 . 25152 1 218 . 1 1 36 36 PRO HD2 H 1 3.801 0.003 . 2 . . . A 36 PRO HD2 . 25152 1 219 . 1 1 36 36 PRO HD3 H 1 3.638 0.003 . 2 . . . A 36 PRO HD3 . 25152 1 220 . 1 1 37 37 PHE H H 1 7.820 0.001 . 1 . . . A 37 PHE H . 25152 1 221 . 1 1 37 37 PHE HA H 1 4.605 0.001 . 1 . . . A 37 PHE HA . 25152 1 222 . 1 1 37 37 PHE HB2 H 1 3.203 0.002 . 2 . . . A 37 PHE HB2 . 25152 1 223 . 1 1 37 37 PHE HB3 H 1 3.242 0.002 . 2 . . . A 37 PHE HB3 . 25152 1 224 . 1 1 37 37 PHE HD1 H 1 7.283 0.001 . 1 . . . A 37 PHE HD1 . 25152 1 225 . 1 1 37 37 PHE HD2 H 1 7.283 0.001 . 1 . . . A 37 PHE HD2 . 25152 1 226 . 1 1 37 37 PHE HE1 H 1 7.420 0.001 . 1 . . . A 37 PHE HE1 . 25152 1 227 . 1 1 37 37 PHE HE2 H 1 7.420 0.001 . 1 . . . A 37 PHE HE2 . 25152 1 228 . 1 1 38 38 ALA H H 1 7.812 0.001 . 1 . . . A 38 ALA H . 25152 1 229 . 1 1 38 38 ALA HA H 1 4.402 0.001 . 1 . . . A 38 ALA HA . 25152 1 230 . 1 1 38 38 ALA HB1 H 1 1.375 0.003 . 1 . . . A 38 ALA HB1 . 25152 1 231 . 1 1 38 38 ALA HB2 H 1 1.375 0.003 . 1 . . . A 38 ALA HB2 . 25152 1 232 . 1 1 38 38 ALA HB3 H 1 1.375 0.003 . 1 . . . A 38 ALA HB3 . 25152 1 233 . 1 1 39 39 ARG H H 1 8.287 0.001 . 1 . . . A 39 ARG H . 25152 1 234 . 1 1 39 39 ARG HA H 1 4.482 0.002 . 1 . . . A 39 ARG HA . 25152 1 235 . 1 1 39 39 ARG HB2 H 1 1.786 0.002 . 2 . . . A 39 ARG HB2 . 25152 1 236 . 1 1 39 39 ARG HB3 H 1 1.885 0.004 . 2 . . . A 39 ARG HB3 . 25152 1 237 . 1 1 39 39 ARG HG2 H 1 1.691 0.000 . 2 . . . A 39 ARG HG2 . 25152 1 238 . 1 1 39 39 ARG HG3 H 1 1.645 0.001 . 2 . . . A 39 ARG HG3 . 25152 1 239 . 1 1 39 39 ARG HD2 H 1 3.238 0.000 . 1 . . . A 39 ARG HD2 . 25152 1 240 . 1 1 39 39 ARG HD3 H 1 3.238 0.000 . 1 . . . A 39 ARG HD3 . 25152 1 241 . 1 1 39 39 ARG HE H 1 7.239 0.000 . 1 . . . A 39 ARG HE . 25152 1 stop_ save_