################################### # 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 16140 _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' . . . 16140 1 2 '2D 1H-1H NOESY' . . . 16140 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.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 ALA H H 1 8.04 0.02 . 1 . . . . . 1 ALA H . 16140 1 2 . 1 1 1 1 ALA HA H 1 4.08 0.02 . 1 . . . . . 1 ALA HA . 16140 1 3 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . . 1 ALA HB . 16140 1 4 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . . 1 ALA HB . 16140 1 5 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . . 1 ALA HB . 16140 1 6 . 1 1 2 2 ILE H H 1 8.43 0.02 . 1 . . . . . 2 ILE H . 16140 1 7 . 1 1 2 2 ILE HA H 1 4.21 0.02 . 1 . . . . . 2 ILE HA . 16140 1 8 . 1 1 2 2 ILE HB H 1 1.80 0.02 . 1 . . . . . 2 ILE HB . 16140 1 9 . 1 1 2 2 ILE HD11 H 1 0.84 0.02 . 1 . . . . . 2 ILE HD1 . 16140 1 10 . 1 1 2 2 ILE HD12 H 1 0.84 0.02 . 1 . . . . . 2 ILE HD1 . 16140 1 11 . 1 1 2 2 ILE HD13 H 1 0.84 0.02 . 1 . . . . . 2 ILE HD1 . 16140 1 12 . 1 1 2 2 ILE HG12 H 1 1.16 0.02 . 1 . . . . . 2 ILE HG12 . 16140 1 13 . 1 1 2 2 ILE HG13 H 1 1.43 0.02 . 1 . . . . . 2 ILE HG13 . 16140 1 14 . 1 1 2 2 ILE HG21 H 1 0.88 0.02 . 1 . . . . . 2 ILE HG2 . 16140 1 15 . 1 1 2 2 ILE HG22 H 1 0.88 0.02 . 1 . . . . . 2 ILE HG2 . 16140 1 16 . 1 1 2 2 ILE HG23 H 1 0.88 0.02 . 1 . . . . . 2 ILE HG2 . 16140 1 17 . 1 1 3 3 CYS H H 1 8.18 0.02 . 1 . . . . . 3 CYS H . 16140 1 18 . 1 1 3 3 CYS HA H 1 4.92 0.02 . 1 . . . . . 3 CYS HA . 16140 1 19 . 1 1 3 3 CYS HB2 H 1 3.13 0.02 . 1 . . . . . 3 CYS HB2 . 16140 1 20 . 1 1 3 3 CYS HB3 H 1 3.27 0.02 . 1 . . . . . 3 CYS HB3 . 16140 1 21 . 1 1 4 4 THR H H 1 8.56 0.02 . 1 . . . . . 4 THR H . 16140 1 22 . 1 1 4 4 THR HA H 1 3.99 0.02 . 1 . . . . . 4 THR HA . 16140 1 23 . 1 1 4 4 THR HB H 1 3.99 0.02 . 1 . . . . . 4 THR HB . 16140 1 24 . 1 1 4 4 THR HG21 H 1 1.32 0.02 . 1 . . . . . 4 THR HG2 . 16140 1 25 . 1 1 4 4 THR HG22 H 1 1.32 0.02 . 1 . . . . . 4 THR HG2 . 16140 1 26 . 1 1 4 4 THR HG23 H 1 1.32 0.02 . 1 . . . . . 4 THR HG2 . 16140 1 27 . 1 1 5 5 GLY H H 1 8.52 0.02 . 1 . . . . . 5 GLY H . 16140 1 28 . 1 1 5 5 GLY HA2 H 1 3.80 0.02 . 1 . . . . . 5 GLY HA2 . 16140 1 29 . 1 1 5 5 GLY HA3 H 1 3.63 0.02 . 1 . . . . . 5 GLY HA3 . 16140 1 30 . 1 1 6 6 ALA H H 1 7.84 0.02 . 1 . . . . . 6 ALA H . 16140 1 31 . 1 1 6 6 ALA HA H 1 3.71 0.02 . 1 . . . . . 6 ALA HA . 16140 1 32 . 1 1 6 6 ALA HB1 H 1 1.22 0.02 . 1 . . . . . 6 ALA HB . 16140 1 33 . 1 1 6 6 ALA HB2 H 1 1.22 0.02 . 1 . . . . . 6 ALA HB . 16140 1 34 . 1 1 6 6 ALA HB3 H 1 1.22 0.02 . 1 . . . . . 6 ALA HB . 16140 1 35 . 1 1 7 7 ASP H H 1 9.44 0.02 . 1 . . . . . 7 ASP H . 16140 1 36 . 1 1 7 7 ASP HA H 1 4.14 0.02 . 1 . . . . . 7 ASP HA . 16140 1 37 . 1 1 7 7 ASP HB2 H 1 3.11 0.02 . 2 . . . . . 7 ASP HB2 . 16140 1 38 . 1 1 7 7 ASP HB3 H 1 2.99 0.02 . 2 . . . . . 7 ASP HB3 . 16140 1 39 . 1 1 8 8 ARG H H 1 7.57 0.02 . 1 . . . . . 8 ARG H . 16140 1 40 . 1 1 8 8 ARG HA H 1 4.88 0.02 . 1 . . . . . 8 ARG HA . 16140 1 41 . 1 1 8 8 ARG HB2 H 1 1.85 0.02 . 1 . . . . . 8 ARG HB2 . 16140 1 42 . 1 1 8 8 ARG HB3 H 1 1.77 0.02 . 1 . . . . . 8 ARG HB3 . 16140 1 43 . 1 1 8 8 ARG HD2 H 1 3.16 0.02 . 1 . . . . . 8 ARG HD2 . 16140 1 44 . 1 1 8 8 ARG HD3 H 1 3.16 0.02 . 1 . . . . . 8 ARG HD3 . 16140 1 45 . 1 1 8 8 ARG HE H 1 7.22 0.02 . 1 . . . . . 8 ARG HE . 16140 1 46 . 1 1 8 8 ARG HG2 H 1 1.54 0.02 . 1 . . . . . 8 ARG HG2 . 16140 1 47 . 1 1 8 8 ARG HG3 H 1 1.59 0.02 . 1 . . . . . 8 ARG HG3 . 16140 1 48 . 1 1 9 9 PRO HA H 1 4.25 0.02 . 1 . . . . . 9 PRO HA . 16140 1 49 . 1 1 9 9 PRO HB2 H 1 2.04 0.02 . 2 . . . . . 9 PRO HB2 . 16140 1 50 . 1 1 9 9 PRO HB3 H 1 1.92 0.02 . 2 . . . . . 9 PRO HB3 . 16140 1 51 . 1 1 9 9 PRO HD2 H 1 3.56 0.02 . 1 . . . . . 9 PRO HD2 . 16140 1 52 . 1 1 9 9 PRO HD3 H 1 3.82 0.02 . 1 . . . . . 9 PRO HD3 . 16140 1 53 . 1 1 9 9 PRO HG2 H 1 1.69 0.02 . 2 . . . . . 9 PRO HG2 . 16140 1 54 . 1 1 9 9 PRO HG3 H 1 1.64 0.02 . 2 . . . . . 9 PRO HG3 . 16140 1 55 . 1 1 10 10 CYS H H 1 7.96 0.02 . 1 . . . . . 10 CYS H . 16140 1 56 . 1 1 10 10 CYS HA H 1 4.44 0.02 . 1 . . . . . 10 CYS HA . 16140 1 57 . 1 1 10 10 CYS HB2 H 1 2.91 0.02 . 1 . . . . . 10 CYS HB2 . 16140 1 58 . 1 1 10 10 CYS HB3 H 1 3.18 0.02 . 1 . . . . . 10 CYS HB3 . 16140 1 59 . 1 1 11 11 ALA H H 1 8.69 0.02 . 1 . . . . . 11 ALA H . 16140 1 60 . 1 1 11 11 ALA HA H 1 4.56 0.02 . 1 . . . . . 11 ALA HA . 16140 1 61 . 1 1 11 11 ALA HB1 H 1 1.44 0.02 . 1 . . . . . 11 ALA HB . 16140 1 62 . 1 1 11 11 ALA HB2 H 1 1.44 0.02 . 1 . . . . . 11 ALA HB . 16140 1 63 . 1 1 11 11 ALA HB3 H 1 1.44 0.02 . 1 . . . . . 11 ALA HB . 16140 1 64 . 1 1 12 12 ALA H H 1 8.65 0.02 . 1 . . . . . 12 ALA H . 16140 1 65 . 1 1 12 12 ALA HA H 1 3.95 0.02 . 1 . . . . . 12 ALA HA . 16140 1 66 . 1 1 12 12 ALA HB1 H 1 1.36 0.02 . 1 . . . . . 12 ALA HB . 16140 1 67 . 1 1 12 12 ALA HB2 H 1 1.36 0.02 . 1 . . . . . 12 ALA HB . 16140 1 68 . 1 1 12 12 ALA HB3 H 1 1.36 0.02 . 1 . . . . . 12 ALA HB . 16140 1 69 . 1 1 13 13 SEC H H 1 8.37 0.02 . 1 . . . . . 13 CYS H . 16140 1 70 . 1 1 13 13 SEC HA H 1 4.17 0.02 . 1 . . . . . 13 CYS HA . 16140 1 71 . 1 1 13 13 SEC HB2 H 1 3.83 0.02 . 1 . . . . . 13 CYS HB2 . 16140 1 72 . 1 1 13 13 SEC HB3 H 1 3.47 0.02 . 1 . . . . . 13 CYS HB3 . 16140 1 73 . 1 1 14 14 SEC H H 1 7.05 0.02 . 1 . . . . . 14 CYS H . 16140 1 74 . 1 1 14 14 SEC HA H 1 5.19 0.02 . 1 . . . . . 14 CYS HA . 16140 1 75 . 1 1 14 14 SEC HB2 H 1 3.28 0.02 . 1 . . . . . 14 CYS HB2 . 16140 1 76 . 1 1 14 14 SEC HB3 H 1 3.13 0.02 . 1 . . . . . 14 CYS HB3 . 16140 1 77 . 1 1 15 15 PRO HA H 1 4.47 0.02 . 1 . . . . . 15 PRO HA . 16140 1 78 . 1 1 15 15 PRO HB2 H 1 2.37 0.02 . 1 . . . . . 15 PRO HB2 . 16140 1 79 . 1 1 15 15 PRO HB3 H 1 2.37 0.02 . 1 . . . . . 15 PRO HB3 . 16140 1 80 . 1 1 15 15 PRO HD2 H 1 3.74 0.02 . 1 . . . . . 15 PRO HD2 . 16140 1 81 . 1 1 15 15 PRO HD3 H 1 3.70 0.02 . 1 . . . . . 15 PRO HD3 . 16140 1 82 . 1 1 15 15 PRO HG2 H 1 2.00 0.02 . 2 . . . . . 15 PRO HG2 . 16140 1 83 . 1 1 15 15 PRO HG3 H 1 1.89 0.02 . 2 . . . . . 15 PRO HG3 . 16140 1 84 . 1 1 16 16 CYS H H 1 8.96 0.02 . 1 . . . . . 16 CYS H . 16140 1 85 . 1 1 16 16 CYS HA H 1 4.99 0.02 . 1 . . . . . 16 CYS HA . 16140 1 86 . 1 1 16 16 CYS HB2 H 1 2.22 0.02 . 1 . . . . . 16 CYS HB2 . 16140 1 87 . 1 1 16 16 CYS HB3 H 1 4.08 0.02 . 1 . . . . . 16 CYS HB3 . 16140 1 88 . 1 1 17 17 CYS H H 1 8.97 0.02 . 1 . . . . . 17 CYS H . 16140 1 89 . 1 1 17 17 CYS HA H 1 4.59 0.02 . 1 . . . . . 17 CYS HA . 16140 1 90 . 1 1 17 17 CYS HB2 H 1 2.43 0.02 . 1 . . . . . 17 CYS HB2 . 16140 1 91 . 1 1 17 17 CYS HB3 H 1 3.33 0.02 . 1 . . . . . 17 CYS HB3 . 16140 1 92 . 1 1 18 18 PRO HA H 1 4.41 0.02 . 1 . . . . . 18 PRO HA . 16140 1 93 . 1 1 18 18 PRO HB2 H 1 2.34 0.02 . 2 . . . . . 18 PRO HB2 . 16140 1 94 . 1 1 18 18 PRO HB3 H 1 2.15 0.02 . 2 . . . . . 18 PRO HB3 . 16140 1 95 . 1 1 18 18 PRO HD2 H 1 3.96 0.02 . 2 . . . . . 18 PRO HD2 . 16140 1 96 . 1 1 18 18 PRO HD3 H 1 3.70 0.02 . 2 . . . . . 18 PRO HD3 . 16140 1 97 . 1 1 18 18 PRO HG2 H 1 2.06 0.02 . 2 . . . . . 18 PRO HG2 . 16140 1 98 . 1 1 18 18 PRO HG3 H 1 1.84 0.02 . 2 . . . . . 18 PRO HG3 . 16140 1 99 . 1 1 19 19 GLY H H 1 8.93 0.02 . 1 . . . . . 19 GLY H . 16140 1 100 . 1 1 19 19 GLY HA2 H 1 4.36 0.02 . 2 . . . . . 19 GLY HA2 . 16140 1 101 . 1 1 19 19 GLY HA3 H 1 3.68 0.02 . 2 . . . . . 19 GLY HA3 . 16140 1 102 . 1 1 20 20 THR H H 1 8.27 0.02 . 1 . . . . . 20 THR H . 16140 1 103 . 1 1 20 20 THR HA H 1 5.08 0.02 . 1 . . . . . 20 THR HA . 16140 1 104 . 1 1 20 20 THR HB H 1 3.57 0.02 . 1 . . . . . 20 THR HB . 16140 1 105 . 1 1 20 20 THR HG1 H 1 5.41 0.02 . 1 . . . . . 20 THR HG1 . 16140 1 106 . 1 1 20 20 THR HG21 H 1 0.83 0.02 . 1 . . . . . 20 THR HG2 . 16140 1 107 . 1 1 20 20 THR HG22 H 1 0.83 0.02 . 1 . . . . . 20 THR HG2 . 16140 1 108 . 1 1 20 20 THR HG23 H 1 0.83 0.02 . 1 . . . . . 20 THR HG2 . 16140 1 109 . 1 1 21 21 SER H H 1 8.77 0.02 . 1 . . . . . 21 SER H . 16140 1 110 . 1 1 21 21 SER HA H 1 4.66 0.02 . 1 . . . . . 21 SER HA . 16140 1 111 . 1 1 21 21 SER HB2 H 1 3.77 0.02 . 1 . . . . . 21 SER HB2 . 16140 1 112 . 1 1 21 21 SER HB3 H 1 3.88 0.02 . 1 . . . . . 21 SER HB3 . 16140 1 113 . 1 1 22 22 CYS H H 1 9.10 0.02 . 1 . . . . . 22 CYS H . 16140 1 114 . 1 1 22 22 CYS HA H 1 4.48 0.02 . 1 . . . . . 22 CYS HA . 16140 1 115 . 1 1 22 22 CYS HB2 H 1 3.18 0.02 . 2 . . . . . 22 CYS HB2 . 16140 1 116 . 1 1 22 22 CYS HB3 H 1 3.09 0.02 . 2 . . . . . 22 CYS HB3 . 16140 1 117 . 1 1 23 23 LYS H H 1 9.40 0.02 . 1 . . . . . 23 LYS H . 16140 1 118 . 1 1 23 23 LYS HA H 1 4.72 0.02 . 1 . . . . . 23 LYS HA . 16140 1 119 . 1 1 23 23 LYS HB2 H 1 1.80 0.02 . 1 . . . . . 23 LYS HB2 . 16140 1 120 . 1 1 23 23 LYS HB3 H 1 1.86 0.02 . 1 . . . . . 23 LYS HB3 . 16140 1 121 . 1 1 23 23 LYS HD2 H 1 1.69 0.02 . 2 . . . . . 23 LYS HD2 . 16140 1 122 . 1 1 23 23 LYS HD3 H 1 1.62 0.02 . 2 . . . . . 23 LYS HD3 . 16140 1 123 . 1 1 23 23 LYS HE2 H 1 2.95 0.02 . 2 . . . . . 23 LYS HE2 . 16140 1 124 . 1 1 23 23 LYS HE3 H 1 2.92 0.02 . 2 . . . . . 23 LYS HE3 . 16140 1 125 . 1 1 23 23 LYS HG2 H 1 1.40 0.02 . 1 . . . . . 23 LYS HG2 . 16140 1 126 . 1 1 23 23 LYS HG3 H 1 1.44 0.02 . 1 . . . . . 23 LYS HG3 . 16140 1 127 . 1 1 24 24 ALA H H 1 8.70 0.02 . 1 . . . . . 24 ALA H . 16140 1 128 . 1 1 24 24 ALA HA H 1 4.62 0.02 . 1 . . . . . 24 ALA HA . 16140 1 129 . 1 1 24 24 ALA HB1 H 1 1.30 0.02 . 1 . . . . . 24 ALA HB . 16140 1 130 . 1 1 24 24 ALA HB2 H 1 1.30 0.02 . 1 . . . . . 24 ALA HB . 16140 1 131 . 1 1 24 24 ALA HB3 H 1 1.30 0.02 . 1 . . . . . 24 ALA HB . 16140 1 132 . 1 1 25 25 GLU H H 1 8.56 0.02 . 1 . . . . . 25 GLU H . 16140 1 133 . 1 1 25 25 GLU HA H 1 4.77 0.02 . 1 . . . . . 25 GLU HA . 16140 1 134 . 1 1 25 25 GLU HB2 H 1 2.28 0.02 . 1 . . . . . 25 GLU HB2 . 16140 1 135 . 1 1 25 25 GLU HB3 H 1 2.36 0.02 . 1 . . . . . 25 GLU HB3 . 16140 1 136 . 1 1 25 25 GLU HG2 H 1 2.59 0.02 . 1 . . . . . 25 GLU HG2 . 16140 1 137 . 1 1 25 25 GLU HG3 H 1 2.62 0.02 . 1 . . . . . 25 GLU HG3 . 16140 1 138 . 1 1 26 26 SER H H 1 8.73 0.02 . 1 . . . . . 26 SER H . 16140 1 139 . 1 1 26 26 SER HA H 1 4.23 0.02 . 1 . . . . . 26 SER HA . 16140 1 140 . 1 1 26 26 SER HB2 H 1 3.96 0.02 . 2 . . . . . 26 SER HB2 . 16140 1 141 . 1 1 26 26 SER HB3 H 1 3.93 0.02 . 2 . . . . . 26 SER HB3 . 16140 1 142 . 1 1 27 27 ASN H H 1 8.18 0.02 . 1 . . . . . 27 ASN H . 16140 1 143 . 1 1 27 27 ASN HA H 1 4.62 0.02 . 1 . . . . . 27 ASN HA . 16140 1 144 . 1 1 27 27 ASN HB2 H 1 3.10 0.02 . 2 . . . . . 27 ASN HB2 . 16140 1 145 . 1 1 27 27 ASN HB3 H 1 2.85 0.02 . 2 . . . . . 27 ASN HB3 . 16140 1 146 . 1 1 27 27 ASN HD21 H 1 7.50 0.02 . 2 . . . . . 27 ASN HD21 . 16140 1 147 . 1 1 27 27 ASN HD22 H 1 6.83 0.02 . 2 . . . . . 27 ASN HD22 . 16140 1 148 . 1 1 28 28 GLY H H 1 8.14 0.02 . 1 . . . . . 28 GLY H . 16140 1 149 . 1 1 28 28 GLY HA2 H 1 4.17 0.02 . 2 . . . . . 28 GLY HA2 . 16140 1 150 . 1 1 28 28 GLY HA3 H 1 3.77 0.02 . 2 . . . . . 28 GLY HA3 . 16140 1 151 . 1 1 29 29 VAL H H 1 7.67 0.02 . 1 . . . . . 29 VAL H . 16140 1 152 . 1 1 29 29 VAL HA H 1 4.10 0.02 . 1 . . . . . 29 VAL HA . 16140 1 153 . 1 1 29 29 VAL HB H 1 2.08 0.02 . 1 . . . . . 29 VAL HB . 16140 1 154 . 1 1 29 29 VAL HG11 H 1 0.69 0.02 . 1 . . . . . 29 VAL HG1 . 16140 1 155 . 1 1 29 29 VAL HG12 H 1 0.69 0.02 . 1 . . . . . 29 VAL HG1 . 16140 1 156 . 1 1 29 29 VAL HG13 H 1 0.69 0.02 . 1 . . . . . 29 VAL HG1 . 16140 1 157 . 1 1 29 29 VAL HG21 H 1 0.81 0.02 . 1 . . . . . 29 VAL HG2 . 16140 1 158 . 1 1 29 29 VAL HG22 H 1 0.81 0.02 . 1 . . . . . 29 VAL HG2 . 16140 1 159 . 1 1 29 29 VAL HG23 H 1 0.81 0.02 . 1 . . . . . 29 VAL HG2 . 16140 1 160 . 1 1 30 30 SER H H 1 8.14 0.02 . 1 . . . . . 30 SER H . 16140 1 161 . 1 1 30 30 SER HA H 1 5.29 0.02 . 1 . . . . . 30 SER HA . 16140 1 162 . 1 1 30 30 SER HB2 H 1 3.56 0.02 . 1 . . . . . 30 SER HB2 . 16140 1 163 . 1 1 30 30 SER HB3 H 1 3.81 0.02 . 1 . . . . . 30 SER HB3 . 16140 1 164 . 1 1 31 31 TYR H H 1 8.60 0.02 . 1 . . . . . 31 TYR H . 16140 1 165 . 1 1 31 31 TYR HA H 1 4.96 0.02 . 1 . . . . . 31 TYR HA . 16140 1 166 . 1 1 31 31 TYR HB2 H 1 2.59 0.02 . 1 . . . . . 31 TYR HB2 . 16140 1 167 . 1 1 31 31 TYR HB3 H 1 2.49 0.02 . 1 . . . . . 31 TYR HB3 . 16140 1 168 . 1 1 31 31 TYR HD1 H 1 6.69 0.02 . 1 . . . . . 31 TYR HD1 . 16140 1 169 . 1 1 31 31 TYR HD2 H 1 6.69 0.02 . 1 . . . . . 31 TYR HD2 . 16140 1 170 . 1 1 31 31 TYR HE1 H 1 6.69 0.02 . 1 . . . . . 31 TYR HE1 . 16140 1 171 . 1 1 31 31 TYR HE2 H 1 6.69 0.02 . 1 . . . . . 31 TYR HE2 . 16140 1 172 . 1 1 32 32 CYS H H 1 8.81 0.02 . 1 . . . . . 32 CYS H . 16140 1 173 . 1 1 32 32 CYS HA H 1 4.88 0.02 . 1 . . . . . 32 CYS HA . 16140 1 174 . 1 1 32 32 CYS HB2 H 1 3.06 0.02 . 1 . . . . . 32 CYS HB2 . 16140 1 175 . 1 1 32 32 CYS HB3 H 1 2.77 0.02 . 1 . . . . . 32 CYS HB3 . 16140 1 176 . 1 1 33 33 ARG H H 1 9.23 0.02 . 1 . . . . . 33 ARG H . 16140 1 177 . 1 1 33 33 ARG HA H 1 4.85 0.02 . 1 . . . . . 33 ARG HA . 16140 1 178 . 1 1 33 33 ARG HB2 H 1 1.97 0.02 . 1 . . . . . 33 ARG HB2 . 16140 1 179 . 1 1 33 33 ARG HB3 H 1 1.97 0.02 . 1 . . . . . 33 ARG HB3 . 16140 1 180 . 1 1 33 33 ARG HD2 H 1 3.11 0.02 . 1 . . . . . 33 ARG HD2 . 16140 1 181 . 1 1 33 33 ARG HD3 H 1 3.30 0.02 . 1 . . . . . 33 ARG HD3 . 16140 1 182 . 1 1 33 33 ARG HE H 1 7.31 0.02 . 1 . . . . . 33 ARG HE . 16140 1 183 . 1 1 33 33 ARG HG2 H 1 1.80 0.02 . 1 . . . . . 33 ARG HG2 . 16140 1 184 . 1 1 33 33 ARG HG3 H 1 1.84 0.02 . 1 . . . . . 33 ARG HG3 . 16140 1 185 . 1 1 34 34 LYS H H 1 9.03 0.02 . 1 . . . . . 34 LYS H . 16140 1 186 . 1 1 34 34 LYS HA H 1 4.09 0.02 . 1 . . . . . 34 LYS HA . 16140 1 187 . 1 1 34 34 LYS HB2 H 1 1.79 0.02 . 2 . . . . . 34 LYS HB2 . 16140 1 188 . 1 1 34 34 LYS HB3 H 1 1.68 0.02 . 2 . . . . . 34 LYS HB3 . 16140 1 189 . 1 1 34 34 LYS HD2 H 1 1.69 0.02 . 2 . . . . . 34 LYS HD2 . 16140 1 190 . 1 1 34 34 LYS HD3 H 1 1.63 0.02 . 2 . . . . . 34 LYS HD3 . 16140 1 191 . 1 1 34 34 LYS HE2 H 1 2.94 0.02 . 1 . . . . . 34 LYS HE2 . 16140 1 192 . 1 1 34 34 LYS HE3 H 1 2.94 0.02 . 1 . . . . . 34 LYS HE3 . 16140 1 193 . 1 1 34 34 LYS HG2 H 1 1.47 0.02 . 2 . . . . . 34 LYS HG2 . 16140 1 194 . 1 1 34 34 LYS HG3 H 1 1.41 0.02 . 2 . . . . . 34 LYS HG3 . 16140 1 195 . 1 1 34 34 LYS HZ1 H 1 7.50 0.02 . 1 . . . . . 34 LYS HZ1 . 16140 1 196 . 1 1 34 34 LYS HZ2 H 1 7.50 0.02 . 1 . . . . . 34 LYS HZ2 . 16140 1 197 . 1 1 34 34 LYS HZ3 H 1 7.50 0.02 . 1 . . . . . 34 LYS HZ3 . 16140 1 198 . 1 1 35 35 ASP H H 1 8.34 0.02 . 1 . . . . . 35 ASP H . 16140 1 199 . 1 1 35 35 ASP HA H 1 4.60 0.02 . 1 . . . . . 35 ASP HA . 16140 1 200 . 1 1 35 35 ASP HB2 H 1 2.79 0.02 . 1 . . . . . 35 ASP HB2 . 16140 1 201 . 1 1 35 35 ASP HB3 H 1 2.60 0.02 . 1 . . . . . 35 ASP HB3 . 16140 1 202 . 1 1 36 36 GLU H H 1 8.32 0.02 . 1 . . . . . 36 GLU H . 16140 1 203 . 1 1 36 36 GLU HA H 1 4.73 0.02 . 1 . . . . . 36 GLU HA . 16140 1 204 . 1 1 36 36 GLU HB2 H 1 2.12 0.02 . 2 . . . . . 36 GLU HB2 . 16140 1 205 . 1 1 36 36 GLU HB3 H 1 1.85 0.02 . 2 . . . . . 36 GLU HB3 . 16140 1 206 . 1 1 36 36 GLU HG2 H 1 2.46 0.02 . 2 . . . . . 36 GLU HG2 . 16140 1 207 . 1 1 36 36 GLU HG3 H 1 2.43 0.02 . 2 . . . . . 36 GLU HG3 . 16140 1 208 . 1 1 37 37 PRO HA H 1 4.33 0.02 . 1 . . . . . 37 PRO HA . 16140 1 209 . 1 1 37 37 PRO HB2 H 1 2.28 0.02 . 2 . . . . . 37 PRO HB2 . 16140 1 210 . 1 1 37 37 PRO HB3 H 1 2.03 0.02 . 2 . . . . . 37 PRO HB3 . 16140 1 211 . 1 1 37 37 PRO HD2 H 1 3.73 0.02 . 2 . . . . . 37 PRO HD2 . 16140 1 212 . 1 1 37 37 PRO HD3 H 1 3.69 0.02 . 2 . . . . . 37 PRO HD3 . 16140 1 213 . 1 1 37 37 PRO HG2 H 1 1.97 0.02 . 2 . . . . . 37 PRO HG2 . 16140 1 214 . 1 1 37 37 PRO HG3 H 1 1.92 0.02 . 2 . . . . . 37 PRO HG3 . 16140 1 stop_ save_