################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30233 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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-13C HSQC' . . . 30233 1 2 '2D 1H-1H TOCSY' . . . 30233 1 3 '2D 1H-1H COSY' . . . 30233 1 4 '2D 1H-1H NOESY' . . . 30233 1 5 '2D 1H-15N HSQC' . . . 30233 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.687 0.001 . . . . . . A 1 CYS HA . 30233 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.157 0.000 . . . . . . A 1 CYS HB2 . 30233 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.404 0.000 . . . . . . A 1 CYS HB3 . 30233 1 4 . 1 . 1 2 2 PRO HA H 1 4.503 0.002 . . . . . . A 2 PRO HA . 30233 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.311 0.001 . . . . . . A 2 PRO HB2 . 30233 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.912 0.001 . . . . . . A 2 PRO HB3 . 30233 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.012 0.000 . . . . . . A 2 PRO HG2 . 30233 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.012 0.000 . . . . . . A 2 PRO HG3 . 30233 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.772 0.000 . . . . . . A 2 PRO HD2 . 30233 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.676 0.000 . . . . . . A 2 PRO HD3 . 30233 1 11 . 1 . 1 2 2 PRO CA C 13 63.691 0.000 . . . . . . A 2 PRO CA . 30233 1 12 . 1 . 1 2 2 PRO CB C 13 31.943 0.056 . . . . . . A 2 PRO CB . 30233 1 13 . 1 . 1 3 3 ASP H H 1 8.407 0.002 . . . . . . A 3 ASP H . 30233 1 14 . 1 . 1 3 3 ASP HA H 1 4.896 0.001 . . . . . . A 3 ASP HA . 30233 1 15 . 1 . 1 3 3 ASP HB2 H 1 2.821 0.000 . . . . . . A 3 ASP HB2 . 30233 1 16 . 1 . 1 3 3 ASP HB3 H 1 2.623 0.000 . . . . . . A 3 ASP HB3 . 30233 1 17 . 1 . 1 3 3 ASP CB C 13 39.577 0.003 . . . . . . A 3 ASP CB . 30233 1 18 . 1 . 1 3 3 ASP N N 15 120.042 0.000 . . . . . . A 3 ASP N . 30233 1 19 . 1 . 1 4 4 PRO HA H 1 4.376 0.003 . . . . . . A 4 PRO HA . 30233 1 20 . 1 . 1 4 4 PRO HB2 H 1 2.151 0.002 . . . . . . A 4 PRO HB2 . 30233 1 21 . 1 . 1 4 4 PRO HB3 H 1 1.760 0.001 . . . . . . A 4 PRO HB3 . 30233 1 22 . 1 . 1 4 4 PRO HG2 H 1 1.962 0.001 . . . . . . A 4 PRO HG2 . 30233 1 23 . 1 . 1 4 4 PRO HG3 H 1 1.962 0.001 . . . . . . A 4 PRO HG3 . 30233 1 24 . 1 . 1 4 4 PRO HD2 H 1 3.766 0.004 . . . . . . A 4 PRO HD2 . 30233 1 25 . 1 . 1 4 4 PRO HD3 H 1 3.703 0.003 . . . . . . A 4 PRO HD3 . 30233 1 26 . 1 . 1 4 4 PRO CA C 13 63.458 0.000 . . . . . . A 4 PRO CA . 30233 1 27 . 1 . 1 4 4 PRO CB C 13 32.028 0.009 . . . . . . A 4 PRO CB . 30233 1 28 . 1 . 1 5 5 VAL H H 1 8.159 0.000 . . . . . . A 5 VAL H . 30233 1 29 . 1 . 1 5 5 VAL HA H 1 4.004 0.003 . . . . . . A 5 VAL HA . 30233 1 30 . 1 . 1 5 5 VAL HB H 1 1.965 0.003 . . . . . . A 5 VAL HB . 30233 1 31 . 1 . 1 5 5 VAL HG11 H 1 0.805 0.000 . . . . . . A 5 VAL HG11 . 30233 1 32 . 1 . 1 5 5 VAL HG12 H 1 0.805 0.000 . . . . . . A 5 VAL HG12 . 30233 1 33 . 1 . 1 5 5 VAL HG13 H 1 0.805 0.000 . . . . . . A 5 VAL HG13 . 30233 1 34 . 1 . 1 5 5 VAL HG21 H 1 0.875 0.000 . . . . . . A 5 VAL HG21 . 30233 1 35 . 1 . 1 5 5 VAL HG22 H 1 0.875 0.000 . . . . . . A 5 VAL HG22 . 30233 1 36 . 1 . 1 5 5 VAL HG23 H 1 0.875 0.000 . . . . . . A 5 VAL HG23 . 30233 1 37 . 1 . 1 5 5 VAL CA C 13 62.582 0.000 . . . . . . A 5 VAL CA . 30233 1 38 . 1 . 1 5 5 VAL CB C 13 32.593 0.000 . . . . . . A 5 VAL CB . 30233 1 39 . 1 . 1 5 5 VAL CG1 C 13 21.306 0.000 . . . . . . A 5 VAL CG1 . 30233 1 40 . 1 . 1 5 5 VAL CG2 C 13 20.818 0.000 . . . . . . A 5 VAL CG2 . 30233 1 41 . 1 . 1 5 5 VAL N N 15 119.395 0.000 . . . . . . A 5 VAL N . 30233 1 42 . 1 . 1 6 6 TYR H H 1 8.171 0.001 . . . . . . A 6 TYR H . 30233 1 43 . 1 . 1 6 6 TYR HA H 1 4.664 0.000 . . . . . . A 6 TYR HA . 30233 1 44 . 1 . 1 6 6 TYR HB2 H 1 3.069 0.002 . . . . . . A 6 TYR HB2 . 30233 1 45 . 1 . 1 6 6 TYR HB3 H 1 2.891 0.002 . . . . . . A 6 TYR HB3 . 30233 1 46 . 1 . 1 6 6 TYR HD1 H 1 7.065 0.002 . . . . . . A 6 TYR HD1 . 30233 1 47 . 1 . 1 6 6 TYR HD2 H 1 7.065 0.002 . . . . . . A 6 TYR HD2 . 30233 1 48 . 1 . 1 6 6 TYR HE1 H 1 6.778 0.005 . . . . . . A 6 TYR HE1 . 30233 1 49 . 1 . 1 6 6 TYR HE2 H 1 6.778 0.005 . . . . . . A 6 TYR HE2 . 30233 1 50 . 1 . 1 6 6 TYR CB C 13 39.228 0.000 . . . . . . A 6 TYR CB . 30233 1 51 . 1 . 1 6 6 TYR N N 15 123.018 0.000 . . . . . . A 6 TYR N . 30233 1 52 . 1 . 1 7 7 THR H H 1 8.050 0.003 . . . . . . A 7 THR H . 30233 1 53 . 1 . 1 7 7 THR HA H 1 4.296 0.002 . . . . . . A 7 THR HA . 30233 1 54 . 1 . 1 7 7 THR HB H 1 4.101 0.000 . . . . . . A 7 THR HB . 30233 1 55 . 1 . 1 7 7 THR HG21 H 1 1.141 0.002 . . . . . . A 7 THR HG21 . 30233 1 56 . 1 . 1 7 7 THR HG22 H 1 1.141 0.002 . . . . . . A 7 THR HG22 . 30233 1 57 . 1 . 1 7 7 THR HG23 H 1 1.141 0.002 . . . . . . A 7 THR HG23 . 30233 1 58 . 1 . 1 7 7 THR CA C 13 61.944 0.000 . . . . . . A 7 THR CA . 30233 1 59 . 1 . 1 7 7 THR CB C 13 70.131 0.000 . . . . . . A 7 THR CB . 30233 1 60 . 1 . 1 7 7 THR CG2 C 13 21.449 0.000 . . . . . . A 7 THR CG2 . 30233 1 61 . 1 . 1 7 7 THR N N 15 116.171 0.000 . . . . . . A 7 THR N . 30233 1 62 . 1 . 1 8 8 CYS H H 1 8.442 0.001 . . . . . . A 8 CYS H . 30233 1 63 . 1 . 1 8 8 CYS HA H 1 4.649 0.001 . . . . . . A 8 CYS HA . 30233 1 64 . 1 . 1 8 8 CYS HB2 H 1 3.124 0.000 . . . . . . A 8 CYS HB2 . 30233 1 65 . 1 . 1 8 8 CYS HB3 H 1 2.956 0.000 . . . . . . A 8 CYS HB3 . 30233 1 66 . 1 . 1 8 8 CYS CA C 13 55.482 0.000 . . . . . . A 8 CYS CA . 30233 1 67 . 1 . 1 8 8 CYS CB C 13 41.397 0.000 . . . . . . A 8 CYS CB . 30233 1 68 . 1 . 1 8 8 CYS N N 15 123.222 0.000 . . . . . . A 8 CYS N . 30233 1 69 . 1 . 1 9 9 ARG H H 1 8.521 0.001 . . . . . . A 9 ARG H . 30233 1 70 . 1 . 1 9 9 ARG HA H 1 4.590 0.000 . . . . . . A 9 ARG HA . 30233 1 71 . 1 . 1 9 9 ARG HB2 H 1 1.840 0.003 . . . . . . A 9 ARG HB2 . 30233 1 72 . 1 . 1 9 9 ARG HB3 H 1 1.581 0.000 . . . . . . A 9 ARG HB3 . 30233 1 73 . 1 . 1 9 9 ARG HG2 H 1 1.682 0.005 . . . . . . A 9 ARG HG2 . 30233 1 74 . 1 . 1 9 9 ARG HG3 H 1 1.682 0.005 . . . . . . A 9 ARG HG3 . 30233 1 75 . 1 . 1 9 9 ARG HD2 H 1 3.189 0.001 . . . . . . A 9 ARG HD2 . 30233 1 76 . 1 . 1 9 9 ARG HD3 H 1 3.189 0.001 . . . . . . A 9 ARG HD3 . 30233 1 77 . 1 . 1 9 9 ARG HE H 1 7.210 0.000 . . . . . . A 9 ARG HE . 30233 1 78 . 1 . 1 9 9 ARG CA C 13 54.355 0.000 . . . . . . A 9 ARG CA . 30233 1 79 . 1 . 1 9 9 ARG CB C 13 29.642 0.000 . . . . . . A 9 ARG CB . 30233 1 80 . 1 . 1 9 9 ARG CG C 13 27.273 0.000 . . . . . . A 9 ARG CG . 30233 1 81 . 1 . 1 9 9 ARG CD C 13 43.182 0.000 . . . . . . A 9 ARG CD . 30233 1 82 . 1 . 1 9 9 ARG N N 15 126.562 0.000 . . . . . . A 9 ARG N . 30233 1 83 . 1 . 1 9 9 ARG NE N 15 125.367 0.000 . . . . . . A 9 ARG NE . 30233 1 84 . 1 . 1 10 10 PRO HA H 1 4.321 0.002 . . . . . . A 10 PRO HA . 30233 1 85 . 1 . 1 10 10 PRO HB2 H 1 2.320 0.003 . . . . . . A 10 PRO HB2 . 30233 1 86 . 1 . 1 10 10 PRO HB3 H 1 1.886 0.005 . . . . . . A 10 PRO HB3 . 30233 1 87 . 1 . 1 10 10 PRO HG2 H 1 2.138 0.000 . . . . . . A 10 PRO HG2 . 30233 1 88 . 1 . 1 10 10 PRO HG3 H 1 2.012 0.000 . . . . . . A 10 PRO HG3 . 30233 1 89 . 1 . 1 10 10 PRO HD2 H 1 3.882 0.000 . . . . . . A 10 PRO HD2 . 30233 1 90 . 1 . 1 10 10 PRO HD3 H 1 3.586 0.005 . . . . . . A 10 PRO HD3 . 30233 1 91 . 1 . 1 10 10 PRO CA C 13 64.302 0.000 . . . . . . A 10 PRO CA . 30233 1 92 . 1 . 1 10 10 PRO CB C 13 31.668 0.001 . . . . . . A 10 PRO CB . 30233 1 93 . 1 . 1 10 10 PRO CD C 13 50.720 0.021 . . . . . . A 10 PRO CD . 30233 1 94 . 1 . 1 11 11 GLY H H 1 8.888 0.001 . . . . . . A 11 GLY H . 30233 1 95 . 1 . 1 11 11 GLY HA2 H 1 4.234 0.001 . . . . . . A 11 GLY HA2 . 30233 1 96 . 1 . 1 11 11 GLY HA3 H 1 3.698 0.005 . . . . . . A 11 GLY HA3 . 30233 1 97 . 1 . 1 11 11 GLY CA C 13 45.453 0.027 . . . . . . A 11 GLY CA . 30233 1 98 . 1 . 1 11 11 GLY N N 15 112.563 0.000 . . . . . . A 11 GLY N . 30233 1 99 . 1 . 1 12 12 GLN H H 1 7.864 0.002 . . . . . . A 12 GLN H . 30233 1 100 . 1 . 1 12 12 GLN HA H 1 4.602 0.000 . . . . . . A 12 GLN HA . 30233 1 101 . 1 . 1 12 12 GLN HB2 H 1 2.217 0.002 . . . . . . A 12 GLN HB2 . 30233 1 102 . 1 . 1 12 12 GLN HB3 H 1 2.124 0.003 . . . . . . A 12 GLN HB3 . 30233 1 103 . 1 . 1 12 12 GLN HG2 H 1 2.300 0.001 . . . . . . A 12 GLN HG2 . 30233 1 104 . 1 . 1 12 12 GLN HG3 H 1 2.300 0.001 . . . . . . A 12 GLN HG3 . 30233 1 105 . 1 . 1 12 12 GLN HE21 H 1 7.620 0.003 . . . . . . A 12 GLN HE21 . 30233 1 106 . 1 . 1 12 12 GLN HE22 H 1 6.896 0.002 . . . . . . A 12 GLN HE22 . 30233 1 107 . 1 . 1 12 12 GLN CB C 13 30.820 0.000 . . . . . . A 12 GLN CB . 30233 1 108 . 1 . 1 12 12 GLN CG C 13 34.022 0.000 . . . . . . A 12 GLN CG . 30233 1 109 . 1 . 1 12 12 GLN N N 15 118.902 0.000 . . . . . . A 12 GLN N . 30233 1 110 . 1 . 1 12 12 GLN NE2 N 15 112.568 0.000 . . . . . . A 12 GLN NE2 . 30233 1 111 . 1 . 1 13 13 THR H H 1 8.734 0.001 . . . . . . A 13 THR H . 30233 1 112 . 1 . 1 13 13 THR HA H 1 4.286 0.001 . . . . . . A 13 THR HA . 30233 1 113 . 1 . 1 13 13 THR HB H 1 4.111 0.001 . . . . . . A 13 THR HB . 30233 1 114 . 1 . 1 13 13 THR HG21 H 1 1.217 0.000 . . . . . . A 13 THR HG21 . 30233 1 115 . 1 . 1 13 13 THR HG22 H 1 1.217 0.000 . . . . . . A 13 THR HG22 . 30233 1 116 . 1 . 1 13 13 THR HG23 H 1 1.217 0.000 . . . . . . A 13 THR HG23 . 30233 1 117 . 1 . 1 13 13 THR CA C 13 63.179 0.000 . . . . . . A 13 THR CA . 30233 1 118 . 1 . 1 13 13 THR CB C 13 69.072 0.000 . . . . . . A 13 THR CB . 30233 1 119 . 1 . 1 13 13 THR CG2 C 13 22.015 0.000 . . . . . . A 13 THR CG2 . 30233 1 120 . 1 . 1 13 13 THR N N 15 118.004 0.000 . . . . . . A 13 THR N . 30233 1 121 . 1 . 1 14 14 CYS H H 1 8.803 0.000 . . . . . . A 14 CYS H . 30233 1 122 . 1 . 1 14 14 CYS HA H 1 4.775 0.006 . . . . . . A 14 CYS HA . 30233 1 123 . 1 . 1 14 14 CYS HB2 H 1 3.255 0.001 . . . . . . A 14 CYS HB2 . 30233 1 124 . 1 . 1 14 14 CYS HB3 H 1 3.026 0.001 . . . . . . A 14 CYS HB3 . 30233 1 125 . 1 . 1 14 14 CYS CB C 13 41.991 0.005 . . . . . . A 14 CYS CB . 30233 1 126 . 1 . 1 14 14 CYS N N 15 124.783 0.000 . . . . . . A 14 CYS N . 30233 1 127 . 1 . 1 15 15 ALA H H 1 8.505 0.001 . . . . . . A 15 ALA H . 30233 1 128 . 1 . 1 15 15 ALA HA H 1 4.337 0.001 . . . . . . A 15 ALA HA . 30233 1 129 . 1 . 1 15 15 ALA HB1 H 1 1.356 0.001 . . . . . . A 15 ALA HB1 . 30233 1 130 . 1 . 1 15 15 ALA HB2 H 1 1.356 0.001 . . . . . . A 15 ALA HB2 . 30233 1 131 . 1 . 1 15 15 ALA HB3 H 1 1.356 0.001 . . . . . . A 15 ALA HB3 . 30233 1 132 . 1 . 1 15 15 ALA CA C 13 52.622 0.000 . . . . . . A 15 ALA CA . 30233 1 133 . 1 . 1 15 15 ALA CB C 13 19.325 0.000 . . . . . . A 15 ALA CB . 30233 1 134 . 1 . 1 15 15 ALA N N 15 126.926 0.000 . . . . . . A 15 ALA N . 30233 1 135 . 1 . 1 16 16 ARG H H 1 8.373 0.001 . . . . . . A 16 ARG H . 30233 1 136 . 1 . 1 16 16 ARG HA H 1 4.238 0.000 . . . . . . A 16 ARG HA . 30233 1 137 . 1 . 1 16 16 ARG HB2 H 1 1.803 0.001 . . . . . . A 16 ARG HB2 . 30233 1 138 . 1 . 1 16 16 ARG HB3 H 1 1.701 0.000 . . . . . . A 16 ARG HB3 . 30233 1 139 . 1 . 1 16 16 ARG HG2 H 1 1.582 0.003 . . . . . . A 16 ARG HG2 . 30233 1 140 . 1 . 1 16 16 ARG HG3 H 1 1.582 0.003 . . . . . . A 16 ARG HG3 . 30233 1 141 . 1 . 1 16 16 ARG HD2 H 1 3.117 0.001 . . . . . . A 16 ARG HD2 . 30233 1 142 . 1 . 1 16 16 ARG HD3 H 1 3.117 0.001 . . . . . . A 16 ARG HD3 . 30233 1 143 . 1 . 1 16 16 ARG HE H 1 7.174 0.000 . . . . . . A 16 ARG HE . 30233 1 144 . 1 . 1 16 16 ARG CA C 13 56.517 0.000 . . . . . . A 16 ARG CA . 30233 1 145 . 1 . 1 16 16 ARG CB C 13 30.800 0.020 . . . . . . A 16 ARG CB . 30233 1 146 . 1 . 1 16 16 ARG CG C 13 27.286 0.000 . . . . . . A 16 ARG CG . 30233 1 147 . 1 . 1 16 16 ARG CD C 13 43.302 0.000 . . . . . . A 16 ARG CD . 30233 1 148 . 1 . 1 16 16 ARG N N 15 120.666 0.000 . . . . . . A 16 ARG N . 30233 1 149 . 1 . 1 16 16 ARG NE N 15 125.499 0.000 . . . . . . A 16 ARG NE . 30233 1 150 . 1 . 1 17 17 GLY H H 1 8.355 0.002 . . . . . . A 17 GLY H . 30233 1 151 . 1 . 1 17 17 GLY HA2 H 1 3.994 0.000 . . . . . . A 17 GLY HA2 . 30233 1 152 . 1 . 1 17 17 GLY HA3 H 1 3.921 0.000 . . . . . . A 17 GLY HA3 . 30233 1 153 . 1 . 1 17 17 GLY N N 15 109.636 0.000 . . . . . . A 17 GLY N . 30233 1 154 . 1 . 1 18 18 LEU H H 1 8.180 0.001 . . . . . . A 18 LEU H . 30233 1 155 . 1 . 1 18 18 LEU HA H 1 4.251 0.000 . . . . . . A 18 LEU HA . 30233 1 156 . 1 . 1 18 18 LEU HB2 H 1 1.528 0.001 . . . . . . A 18 LEU HB2 . 30233 1 157 . 1 . 1 18 18 LEU HB3 H 1 1.410 0.003 . . . . . . A 18 LEU HB3 . 30233 1 158 . 1 . 1 18 18 LEU HG H 1 1.441 0.005 . . . . . . A 18 LEU HG . 30233 1 159 . 1 . 1 18 18 LEU HD11 H 1 0.858 0.000 . . . . . . A 18 LEU HD11 . 30233 1 160 . 1 . 1 18 18 LEU HD12 H 1 0.858 0.000 . . . . . . A 18 LEU HD12 . 30233 1 161 . 1 . 1 18 18 LEU HD13 H 1 0.858 0.000 . . . . . . A 18 LEU HD13 . 30233 1 162 . 1 . 1 18 18 LEU HD21 H 1 0.812 0.002 . . . . . . A 18 LEU HD21 . 30233 1 163 . 1 . 1 18 18 LEU HD22 H 1 0.812 0.002 . . . . . . A 18 LEU HD22 . 30233 1 164 . 1 . 1 18 18 LEU HD23 H 1 0.812 0.002 . . . . . . A 18 LEU HD23 . 30233 1 165 . 1 . 1 18 18 LEU CA C 13 55.529 0.000 . . . . . . A 18 LEU CA . 30233 1 166 . 1 . 1 18 18 LEU CB C 13 42.542 0.003 . . . . . . A 18 LEU CB . 30233 1 167 . 1 . 1 18 18 LEU CG C 13 26.981 0.000 . . . . . . A 18 LEU CG . 30233 1 168 . 1 . 1 18 18 LEU CD1 C 13 24.931 0.000 . . . . . . A 18 LEU CD1 . 30233 1 169 . 1 . 1 18 18 LEU CD2 C 13 23.608 0.000 . . . . . . A 18 LEU CD2 . 30233 1 170 . 1 . 1 18 18 LEU N N 15 121.320 0.000 . . . . . . A 18 LEU N . 30233 1 171 . 1 . 1 19 19 HIS H H 1 8.642 0.000 . . . . . . A 19 HIS H . 30233 1 172 . 1 . 1 19 19 HIS HA H 1 4.729 0.003 . . . . . . A 19 HIS HA . 30233 1 173 . 1 . 1 19 19 HIS HB2 H 1 3.118 0.002 . . . . . . A 19 HIS HB2 . 30233 1 174 . 1 . 1 19 19 HIS HB3 H 1 3.291 0.001 . . . . . . A 19 HIS HB3 . 30233 1 175 . 1 . 1 19 19 HIS HD2 H 1 7.274 0.003 . . . . . . A 19 HIS HD2 . 30233 1 176 . 1 . 1 19 19 HIS HE1 H 1 8.596 0.007 . . . . . . A 19 HIS HE1 . 30233 1 177 . 1 . 1 19 19 HIS CB C 13 29.031 0.004 . . . . . . A 19 HIS CB . 30233 1 178 . 1 . 1 19 19 HIS N N 15 117.798 0.000 . . . . . . A 19 HIS N . 30233 1 179 . 1 . 1 20 20 GLY H H 1 8.306 0.001 . . . . . . A 20 GLY H . 30233 1 180 . 1 . 1 20 20 GLY HA2 H 1 3.934 0.002 . . . . . . A 20 GLY HA2 . 30233 1 181 . 1 . 1 20 20 GLY HA3 H 1 3.868 0.000 . . . . . . A 20 GLY HA3 . 30233 1 182 . 1 . 1 20 20 GLY N N 15 109.440 0.000 . . . . . . A 20 GLY N . 30233 1 183 . 1 . 1 21 21 TYR H H 1 8.294 0.001 . . . . . . A 21 TYR H . 30233 1 184 . 1 . 1 21 21 TYR HA H 1 4.554 0.002 . . . . . . A 21 TYR HA . 30233 1 185 . 1 . 1 21 21 TYR HB2 H 1 3.081 0.003 . . . . . . A 21 TYR HB2 . 30233 1 186 . 1 . 1 21 21 TYR HB3 H 1 2.970 0.001 . . . . . . A 21 TYR HB3 . 30233 1 187 . 1 . 1 21 21 TYR HD1 H 1 7.121 0.002 . . . . . . A 21 TYR HD1 . 30233 1 188 . 1 . 1 21 21 TYR HD2 H 1 7.121 0.002 . . . . . . A 21 TYR HD2 . 30233 1 189 . 1 . 1 21 21 TYR HE1 H 1 6.830 0.000 . . . . . . A 21 TYR HE1 . 30233 1 190 . 1 . 1 21 21 TYR HE2 H 1 6.830 0.000 . . . . . . A 21 TYR HE2 . 30233 1 191 . 1 . 1 21 21 TYR CA C 13 58.463 0.000 . . . . . . A 21 TYR CA . 30233 1 192 . 1 . 1 21 21 TYR CB C 13 39.006 0.024 . . . . . . A 21 TYR CB . 30233 1 193 . 1 . 1 21 21 TYR N N 15 120.318 0.000 . . . . . . A 21 TYR N . 30233 1 194 . 1 . 1 22 22 GLY H H 1 8.482 0.001 . . . . . . A 22 GLY H . 30233 1 195 . 1 . 1 22 22 GLY HA2 H 1 3.985 0.004 . . . . . . A 22 GLY HA2 . 30233 1 196 . 1 . 1 22 22 GLY HA3 H 1 3.809 0.005 . . . . . . A 22 GLY HA3 . 30233 1 197 . 1 . 1 22 22 GLY CA C 13 45.501 0.007 . . . . . . A 22 GLY CA . 30233 1 198 . 1 . 1 22 22 GLY N N 15 111.220 0.000 . . . . . . A 22 GLY N . 30233 1 199 . 1 . 1 23 23 CYS H H 1 7.984 0.002 . . . . . . A 23 CYS H . 30233 1 200 . 1 . 1 23 23 CYS HA H 1 4.614 0.002 . . . . . . A 23 CYS HA . 30233 1 201 . 1 . 1 23 23 CYS HB2 H 1 3.329 0.000 . . . . . . A 23 CYS HB2 . 30233 1 202 . 1 . 1 23 23 CYS HB3 H 1 3.055 0.000 . . . . . . A 23 CYS HB3 . 30233 1 203 . 1 . 1 23 23 CYS CA C 13 56.631 0.000 . . . . . . A 23 CYS CA . 30233 1 204 . 1 . 1 23 23 CYS N N 15 122.604 0.000 . . . . . . A 23 CYS N . 30233 1 stop_ save_