################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4988 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY 1 $sample_1 . 4988 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 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . . 4988 1 2 . 1 1 1 1 LEU HB2 H 1 1.56 0.02 . 1 . . . . . . . . . 4988 1 3 . 1 1 1 1 LEU HB3 H 1 1.56 0.02 . 1 . . . . . . . . . 4988 1 4 . 1 1 1 1 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . . 4988 1 5 . 1 1 1 1 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . . 4988 1 6 . 1 1 1 1 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . . 4988 1 7 . 1 1 1 1 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . . 4988 1 8 . 1 1 1 1 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . . 4988 1 9 . 1 1 1 1 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . . 4988 1 10 . 1 1 1 1 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . . 4988 1 11 . 1 1 2 2 PHE H H 1 8.48 0.02 . 1 . . . . . . . . . 4988 1 12 . 1 1 2 2 PHE HA H 1 4.77 0.02 . 1 . . . . . . . . . 4988 1 13 . 1 1 2 2 PHE HB2 H 1 3.00 0.02 . 2 . . . . . . . . . 4988 1 14 . 1 1 2 2 PHE HB3 H 1 3.25 0.02 . 2 . . . . . . . . . 4988 1 15 . 1 1 2 2 PHE HD1 H 1 7.33 0.02 . 1 . . . . . . . . . 4988 1 16 . 1 1 2 2 PHE HD2 H 1 7.33 0.02 . 1 . . . . . . . . . 4988 1 17 . 1 1 2 2 PHE HE1 H 1 7.37 0.02 . 1 . . . . . . . . . 4988 1 18 . 1 1 2 2 PHE HE2 H 1 7.37 0.02 . 1 . . . . . . . . . 4988 1 19 . 1 1 2 2 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . . 4988 1 20 . 1 1 3 3 GLU H H 1 8.73 0.02 . 1 . . . . . . . . . 4988 1 21 . 1 1 3 3 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . . 4988 1 22 . 1 1 3 3 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . . 4988 1 23 . 1 1 3 3 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . . 4988 1 24 . 1 1 3 3 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . . 4988 1 25 . 1 1 3 3 GLU HG3 H 1 2.57 0.02 . 2 . . . . . . . . . 4988 1 26 . 1 1 4 4 CYS H H 1 9.60 0.02 . 1 . . . . . . . . . 4988 1 27 . 1 1 4 4 CYS HA H 1 4.31 0.02 . 1 . . . . . . . . . 4988 1 28 . 1 1 4 4 CYS HB2 H 1 2.61 0.02 . 2 . . . . . . . . . 4988 1 29 . 1 1 4 4 CYS HB3 H 1 3.50 0.02 . 2 . . . . . . . . . 4988 1 30 . 1 1 5 5 SER H H 1 9.95 0.02 . 1 . . . . . . . . . 4988 1 31 . 1 1 5 5 SER HA H 1 4.06 0.02 . 1 . . . . . . . . . 4988 1 32 . 1 1 5 5 SER HB2 H 1 3.51 0.02 . 2 . . . . . . . . . 4988 1 33 . 1 1 5 5 SER HB3 H 1 3.81 0.02 . 2 . . . . . . . . . 4988 1 34 . 1 1 6 6 PHE H H 1 9.75 0.02 . 1 . . . . . . . . . 4988 1 35 . 1 1 6 6 PHE HA H 1 4.69 0.02 . 1 . . . . . . . . . 4988 1 36 . 1 1 6 6 PHE HB2 H 1 3.06 0.02 . 2 . . . . . . . . . 4988 1 37 . 1 1 6 6 PHE HB3 H 1 3.19 0.02 . 2 . . . . . . . . . 4988 1 38 . 1 1 6 6 PHE HD1 H 1 7.26 0.02 . 1 . . . . . . . . . 4988 1 39 . 1 1 6 6 PHE HD2 H 1 7.26 0.02 . 1 . . . . . . . . . 4988 1 40 . 1 1 6 6 PHE HE1 H 1 7.36 0.02 . 1 . . . . . . . . . 4988 1 41 . 1 1 6 6 PHE HE2 H 1 7.36 0.02 . 1 . . . . . . . . . 4988 1 42 . 1 1 6 6 PHE HZ H 1 7.44 0.02 . 1 . . . . . . . . . 4988 1 43 . 1 1 7 7 SER H H 1 7.96 0.02 . 1 . . . . . . . . . 4988 1 44 . 1 1 7 7 SER HA H 1 4.48 0.02 . 1 . . . . . . . . . 4988 1 45 . 1 1 7 7 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . . 4988 1 46 . 1 1 7 7 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . . 4988 1 47 . 1 1 8 8 CYS H H 1 7.48 0.02 . 1 . . . . . . . . . 4988 1 48 . 1 1 8 8 CYS HA H 1 5.27 0.02 . 1 . . . . . . . . . 4988 1 49 . 1 1 8 8 CYS HB2 H 1 2.57 0.02 . 2 . . . . . . . . . 4988 1 50 . 1 1 8 8 CYS HB3 H 1 3.61 0.02 . 2 . . . . . . . . . 4988 1 51 . 1 1 9 9 GLU H H 1 9.29 0.02 . 1 . . . . . . . . . 4988 1 52 . 1 1 9 9 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . . 4988 1 53 . 1 1 9 9 GLU HB2 H 1 2.20 0.02 . 1 . . . . . . . . . 4988 1 54 . 1 1 9 9 GLU HB3 H 1 2.20 0.02 . 1 . . . . . . . . . 4988 1 55 . 1 1 9 9 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . . 4988 1 56 . 1 1 9 9 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . . 4988 1 57 . 1 1 10 10 ILE H H 1 8.09 0.02 . 1 . . . . . . . . . 4988 1 58 . 1 1 10 10 ILE HA H 1 4.24 0.02 . 1 . . . . . . . . . 4988 1 59 . 1 1 10 10 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . . 4988 1 60 . 1 1 10 10 ILE HG12 H 1 1.22 0.02 . 2 . . . . . . . . . 4988 1 61 . 1 1 10 10 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . . 4988 1 62 . 1 1 10 10 ILE HG21 H 1 1.03 0.02 . 1 . . . . . . . . . 4988 1 63 . 1 1 10 10 ILE HG22 H 1 1.03 0.02 . 1 . . . . . . . . . 4988 1 64 . 1 1 10 10 ILE HG23 H 1 1.03 0.02 . 1 . . . . . . . . . 4988 1 65 . 1 1 10 10 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . . 4988 1 66 . 1 1 10 10 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . . 4988 1 67 . 1 1 10 10 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . . 4988 1 68 . 1 1 11 11 GLU H H 1 8.44 0.02 . 1 . . . . . . . . . 4988 1 69 . 1 1 11 11 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . . 4988 1 70 . 1 1 11 11 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . . 4988 1 71 . 1 1 11 11 GLU HB3 H 1 2.79 0.02 . 2 . . . . . . . . . 4988 1 72 . 1 1 11 11 GLU HG2 H 1 2.03 0.02 . 2 . . . . . . . . . 4988 1 73 . 1 1 11 11 GLU HG3 H 1 2.39 0.02 . 2 . . . . . . . . . 4988 1 74 . 1 1 12 12 LYS H H 1 7.80 0.02 . 1 . . . . . . . . . 4988 1 75 . 1 1 12 12 LYS HA H 1 4.92 0.02 . 1 . . . . . . . . . 4988 1 76 . 1 1 12 12 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . . 4988 1 77 . 1 1 12 12 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . . 4988 1 78 . 1 1 12 12 LYS HG2 H 1 1.09 0.02 . 2 . . . . . . . . . 4988 1 79 . 1 1 12 12 LYS HG3 H 1 1.18 0.02 . 2 . . . . . . . . . 4988 1 80 . 1 1 12 12 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . . 4988 1 81 . 1 1 12 12 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . . 4988 1 82 . 1 1 12 12 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . . 4988 1 83 . 1 1 12 12 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . . 4988 1 84 . 1 1 13 13 GLU H H 1 8.45 0.02 . 1 . . . . . . . . . 4988 1 85 . 1 1 13 13 GLU HA H 1 4.49 0.02 . 1 . . . . . . . . . 4988 1 86 . 1 1 13 13 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . . 4988 1 87 . 1 1 13 13 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . . 4988 1 88 . 1 1 13 13 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . . 4988 1 89 . 1 1 13 13 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . . 4988 1 90 . 1 1 14 14 GLY H H 1 9.20 0.02 . 1 . . . . . . . . . 4988 1 91 . 1 1 14 14 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . . 4988 1 92 . 1 1 14 14 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . . 4988 1 93 . 1 1 15 15 ASP H H 1 8.80 0.02 . 1 . . . . . . . . . 4988 1 94 . 1 1 15 15 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . . 4988 1 95 . 1 1 15 15 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . . 4988 1 96 . 1 1 15 15 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . . 4988 1 97 . 1 1 16 16 LYS H H 1 7.88 0.02 . 1 . . . . . . . . . 4988 1 98 . 1 1 16 16 LYS HA H 1 4.94 0.02 . 1 . . . . . . . . . 4988 1 99 . 1 1 16 16 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . . 4988 1 100 . 1 1 16 16 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . . 4988 1 101 . 1 1 16 16 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . . 4988 1 102 . 1 1 16 16 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . . 4988 1 103 . 1 1 16 16 LYS HD2 H 1 1.77 0.02 . 1 . . . . . . . . . 4988 1 104 . 1 1 16 16 LYS HD3 H 1 1.77 0.02 . 1 . . . . . . . . . 4988 1 105 . 1 1 16 16 LYS HE2 H 1 3.08 0.02 . 1 . . . . . . . . . 4988 1 106 . 1 1 16 16 LYS HE3 H 1 3.08 0.02 . 1 . . . . . . . . . 4988 1 107 . 1 1 17 17 PRO HA H 1 4.92 0.02 . 1 . . . . . . . . . 4988 1 108 . 1 1 17 17 PRO HB2 H 1 1.90 0.02 . 2 . . . . . . . . . 4988 1 109 . 1 1 17 17 PRO HB3 H 1 2.40 0.02 . 2 . . . . . . . . . 4988 1 110 . 1 1 17 17 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . . 4988 1 111 . 1 1 17 17 PRO HG3 H 1 2.12 0.02 . 2 . . . . . . . . . 4988 1 112 . 1 1 17 17 PRO HD2 H 1 3.77 0.02 . 2 . . . . . . . . . 4988 1 113 . 1 1 17 17 PRO HD3 H 1 3.98 0.02 . 2 . . . . . . . . . 4988 1 114 . 1 1 18 18 CYS H H 1 7.96 0.02 . 1 . . . . . . . . . 4988 1 115 . 1 1 18 18 CYS HA H 1 4.65 0.02 . 1 . . . . . . . . . 4988 1 116 . 1 1 18 18 CYS HB2 H 1 3.02 0.02 . 2 . . . . . . . . . 4988 1 117 . 1 1 18 18 CYS HB3 H 1 3.06 0.02 . 2 . . . . . . . . . 4988 1 118 . 1 1 19 19 LYS H H 1 8.50 0.02 . 1 . . . . . . . . . 4988 1 119 . 1 1 19 19 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . . 4988 1 120 . 1 1 19 19 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . . 4988 1 121 . 1 1 19 19 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . . 4988 1 122 . 1 1 19 19 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . . 4988 1 123 . 1 1 19 19 LYS HG3 H 1 1.68 0.02 . 2 . . . . . . . . . 4988 1 124 . 1 1 19 19 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . . 4988 1 125 . 1 1 19 19 LYS HD3 H 1 1.49 0.02 . 1 . . . . . . . . . 4988 1 126 . 1 1 19 19 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . . 4988 1 127 . 1 1 19 19 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . . 4988 1 128 . 1 1 20 20 LYS H H 1 8.93 0.02 . 1 . . . . . . . . . 4988 1 129 . 1 1 20 20 LYS HA H 1 3.72 0.02 . 1 . . . . . . . . . 4988 1 130 . 1 1 20 20 LYS HB2 H 1 1.44 0.02 . 1 . . . . . . . . . 4988 1 131 . 1 1 20 20 LYS HB3 H 1 1.44 0.02 . 1 . . . . . . . . . 4988 1 132 . 1 1 20 20 LYS HG2 H 1 1.22 0.02 . 2 . . . . . . . . . 4988 1 133 . 1 1 20 20 LYS HG3 H 1 1.31 0.02 . 2 . . . . . . . . . 4988 1 134 . 1 1 20 20 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . . 4988 1 135 . 1 1 20 20 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . . 4988 1 136 . 1 1 20 20 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . . 4988 1 137 . 1 1 20 20 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . . 4988 1 138 . 1 1 21 21 LYS H H 1 8.43 0.02 . 1 . . . . . . . . . 4988 1 139 . 1 1 21 21 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . . 4988 1 140 . 1 1 21 21 LYS HB2 H 1 1.26 0.02 . 2 . . . . . . . . . 4988 1 141 . 1 1 21 21 LYS HB3 H 1 1.41 0.02 . 2 . . . . . . . . . 4988 1 142 . 1 1 21 21 LYS HG2 H 1 1.01 0.02 . 2 . . . . . . . . . 4988 1 143 . 1 1 21 21 LYS HG3 H 1 1.08 0.02 . 2 . . . . . . . . . 4988 1 144 . 1 1 21 21 LYS HD2 H 1 1.30 0.02 . 2 . . . . . . . . . 4988 1 145 . 1 1 21 21 LYS HD3 H 1 1.38 0.02 . 2 . . . . . . . . . 4988 1 146 . 1 1 21 21 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . . 4988 1 147 . 1 1 21 21 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . . 4988 1 148 . 1 1 22 22 LYS H H 1 8.24 0.02 . 1 . . . . . . . . . 4988 1 149 . 1 1 22 22 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . . 4988 1 150 . 1 1 22 22 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . . 4988 1 151 . 1 1 22 22 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . . 4988 1 152 . 1 1 22 22 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . . 4988 1 153 . 1 1 22 22 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . . 4988 1 154 . 1 1 22 22 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . . 4988 1 155 . 1 1 22 22 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . . 4988 1 156 . 1 1 22 22 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . . 4988 1 157 . 1 1 22 22 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . . 4988 1 158 . 1 1 23 23 CYS H H 1 8.89 0.02 . 1 . . . . . . . . . 4988 1 159 . 1 1 23 23 CYS HA H 1 4.66 0.02 . 1 . . . . . . . . . 4988 1 160 . 1 1 23 23 CYS HB2 H 1 2.55 0.02 . 2 . . . . . . . . . 4988 1 161 . 1 1 23 23 CYS HB3 H 1 3.10 0.02 . 2 . . . . . . . . . 4988 1 162 . 1 1 24 24 LYS H H 1 8.56 0.02 . 1 . . . . . . . . . 4988 1 163 . 1 1 24 24 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . . 4988 1 164 . 1 1 24 24 LYS HB2 H 1 1.38 0.02 . 2 . . . . . . . . . 4988 1 165 . 1 1 24 24 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . . 4988 1 166 . 1 1 24 24 LYS HG2 H 1 1.30 0.02 . 1 . . . . . . . . . 4988 1 167 . 1 1 24 24 LYS HG3 H 1 1.30 0.02 . 1 . . . . . . . . . 4988 1 168 . 1 1 24 24 LYS HD2 H 1 1.36 0.02 . 2 . . . . . . . . . 4988 1 169 . 1 1 24 24 LYS HD3 H 1 1.44 0.02 . 2 . . . . . . . . . 4988 1 170 . 1 1 24 24 LYS HE2 H 1 2.71 0.02 . 1 . . . . . . . . . 4988 1 171 . 1 1 24 24 LYS HE3 H 1 2.71 0.02 . 1 . . . . . . . . . 4988 1 172 . 1 1 25 25 GLY H H 1 8.50 0.02 . 1 . . . . . . . . . 4988 1 173 . 1 1 25 25 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . . 4988 1 174 . 1 1 25 25 GLY HA3 H 1 4.05 0.02 . 2 . . . . . . . . . 4988 1 175 . 1 1 26 26 GLY H H 1 8.96 0.02 . 1 . . . . . . . . . 4988 1 176 . 1 1 26 26 GLY HA2 H 1 3.70 0.02 . 2 . . . . . . . . . 4988 1 177 . 1 1 26 26 GLY HA3 H 1 4.43 0.02 . 2 . . . . . . . . . 4988 1 178 . 1 1 27 27 TRP H H 1 8.74 0.02 . 1 . . . . . . . . . 4988 1 179 . 1 1 27 27 TRP HA H 1 5.27 0.02 . 1 . . . . . . . . . 4988 1 180 . 1 1 27 27 TRP HB2 H 1 2.96 0.02 . 2 . . . . . . . . . 4988 1 181 . 1 1 27 27 TRP HB3 H 1 3.55 0.02 . 2 . . . . . . . . . 4988 1 182 . 1 1 27 27 TRP HD1 H 1 7.13 0.02 . 1 . . . . . . . . . 4988 1 183 . 1 1 27 27 TRP HE1 H 1 10.38 0.02 . 1 . . . . . . . . . 4988 1 184 . 1 1 27 27 TRP HE3 H 1 7.15 0.02 . 1 . . . . . . . . . 4988 1 185 . 1 1 27 27 TRP HZ2 H 1 7.52 0.02 . 1 . . . . . . . . . 4988 1 186 . 1 1 27 27 TRP HZ3 H 1 7.17 0.02 . 1 . . . . . . . . . 4988 1 187 . 1 1 27 27 TRP HH2 H 1 7.27 0.02 . 1 . . . . . . . . . 4988 1 188 . 1 1 28 28 LYS H H 1 9.69 0.02 . 1 . . . . . . . . . 4988 1 189 . 1 1 28 28 LYS HA H 1 4.75 0.02 . 1 . . . . . . . . . 4988 1 190 . 1 1 28 28 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . . 4988 1 191 . 1 1 28 28 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . . 4988 1 192 . 1 1 28 28 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . . 4988 1 193 . 1 1 28 28 LYS HG3 H 1 1.34 0.02 . 2 . . . . . . . . . 4988 1 194 . 1 1 28 28 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . . 4988 1 195 . 1 1 28 28 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . . 4988 1 196 . 1 1 28 28 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . . 4988 1 197 . 1 1 28 28 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . . 4988 1 198 . 1 1 29 29 CYS H H 1 8.90 0.02 . 1 . . . . . . . . . 4988 1 199 . 1 1 29 29 CYS HA H 1 5.07 0.02 . 1 . . . . . . . . . 4988 1 200 . 1 1 29 29 CYS HB2 H 1 3.01 0.02 . 2 . . . . . . . . . 4988 1 201 . 1 1 29 29 CYS HB3 H 1 3.10 0.02 . 2 . . . . . . . . . 4988 1 202 . 1 1 30 30 LYS H H 1 9.68 0.02 . 1 . . . . . . . . . 4988 1 203 . 1 1 30 30 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . . 4988 1 204 . 1 1 30 30 LYS HB2 H 1 1.52 0.02 . 2 . . . . . . . . . 4988 1 205 . 1 1 30 30 LYS HB3 H 1 1.66 0.02 . 2 . . . . . . . . . 4988 1 206 . 1 1 30 30 LYS HG2 H 1 1.01 0.02 . 2 . . . . . . . . . 4988 1 207 . 1 1 30 30 LYS HG3 H 1 1.14 0.02 . 2 . . . . . . . . . 4988 1 208 . 1 1 30 30 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . . 4988 1 209 . 1 1 30 30 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . . 4988 1 210 . 1 1 30 30 LYS HE2 H 1 2.76 0.02 . 1 . . . . . . . . . 4988 1 211 . 1 1 30 30 LYS HE3 H 1 2.76 0.02 . 1 . . . . . . . . . 4988 1 212 . 1 1 31 31 PHE H H 1 9.10 0.02 . 1 . . . . . . . . . 4988 1 213 . 1 1 31 31 PHE HA H 1 4.34 0.02 . 1 . . . . . . . . . 4988 1 214 . 1 1 31 31 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . . 4988 1 215 . 1 1 31 31 PHE HB3 H 1 3.32 0.02 . 2 . . . . . . . . . 4988 1 216 . 1 1 31 31 PHE HD1 H 1 7.30 0.02 . 1 . . . . . . . . . 4988 1 217 . 1 1 31 31 PHE HD2 H 1 7.30 0.02 . 1 . . . . . . . . . 4988 1 218 . 1 1 31 31 PHE HE1 H 1 7.41 0.02 . 1 . . . . . . . . . 4988 1 219 . 1 1 31 31 PHE HE2 H 1 7.41 0.02 . 1 . . . . . . . . . 4988 1 220 . 1 1 31 31 PHE HZ H 1 7.35 0.02 . 1 . . . . . . . . . 4988 1 221 . 1 1 32 32 ASN H H 1 8.76 0.02 . 1 . . . . . . . . . 4988 1 222 . 1 1 32 32 ASN HA H 1 4.29 0.02 . 1 . . . . . . . . . 4988 1 223 . 1 1 32 32 ASN HB2 H 1 2.56 0.02 . 2 . . . . . . . . . 4988 1 224 . 1 1 32 32 ASN HB3 H 1 3.65 0.02 . 2 . . . . . . . . . 4988 1 225 . 1 1 32 32 ASN HD21 H 1 7.29 0.02 . 2 . . . . . . . . . 4988 1 226 . 1 1 32 32 ASN HD22 H 1 7.89 0.02 . 2 . . . . . . . . . 4988 1 227 . 1 1 33 33 MET H H 1 7.90 0.02 . 1 . . . . . . . . . 4988 1 228 . 1 1 33 33 MET HA H 1 5.06 0.02 . 1 . . . . . . . . . 4988 1 229 . 1 1 33 33 MET HB2 H 1 2.13 0.02 . 1 . . . . . . . . . 4988 1 230 . 1 1 33 33 MET HB3 H 1 2.13 0.02 . 1 . . . . . . . . . 4988 1 231 . 1 1 33 33 MET HG2 H 1 2.68 0.02 . 2 . . . . . . . . . 4988 1 232 . 1 1 33 33 MET HG3 H 1 2.76 0.02 . 2 . . . . . . . . . 4988 1 233 . 1 1 33 33 MET HE1 H 1 2.16 0.02 . 1 . . . . . . . . . 4988 1 234 . 1 1 33 33 MET HE2 H 1 2.16 0.02 . 1 . . . . . . . . . 4988 1 235 . 1 1 33 33 MET HE3 H 1 2.16 0.02 . 1 . . . . . . . . . 4988 1 236 . 1 1 34 34 CYS H H 1 9.27 0.02 . 1 . . . . . . . . . 4988 1 237 . 1 1 34 34 CYS HA H 1 5.37 0.02 . 1 . . . . . . . . . 4988 1 238 . 1 1 34 34 CYS HB2 H 1 2.91 0.02 . 2 . . . . . . . . . 4988 1 239 . 1 1 34 34 CYS HB3 H 1 3.04 0.02 . 2 . . . . . . . . . 4988 1 240 . 1 1 35 35 VAL H H 1 9.87 0.02 . 1 . . . . . . . . . 4988 1 241 . 1 1 35 35 VAL HA H 1 4.80 0.02 . 1 . . . . . . . . . 4988 1 242 . 1 1 35 35 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . . 4988 1 243 . 1 1 35 35 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . . 4988 1 244 . 1 1 35 35 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . . 4988 1 245 . 1 1 35 35 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . . 4988 1 246 . 1 1 35 35 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . . 4988 1 247 . 1 1 35 35 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . . 4988 1 248 . 1 1 35 35 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . . 4988 1 249 . 1 1 36 36 LYS H H 1 8.13 0.02 . 1 . . . . . . . . . 4988 1 250 . 1 1 36 36 LYS HA H 1 3.30 0.02 . 1 . . . . . . . . . 4988 1 251 . 1 1 36 36 LYS HB2 H 1 0.40 0.02 . 2 . . . . . . . . . 4988 1 252 . 1 1 36 36 LYS HB3 H 1 1.23 0.02 . 2 . . . . . . . . . 4988 1 253 . 1 1 36 36 LYS HG2 H 1 0.54 0.02 . 2 . . . . . . . . . 4988 1 254 . 1 1 36 36 LYS HG3 H 1 0.74 0.02 . 2 . . . . . . . . . 4988 1 255 . 1 1 36 36 LYS HD2 H 1 1.15 0.02 . 1 . . . . . . . . . 4988 1 256 . 1 1 36 36 LYS HD3 H 1 1.15 0.02 . 1 . . . . . . . . . 4988 1 257 . 1 1 36 36 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . . 4988 1 258 . 1 1 36 36 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . . 4988 1 259 . 1 1 37 37 VAL H H 1 7.58 0.02 . 1 . . . . . . . . . 4988 1 260 . 1 1 37 37 VAL HA H 1 3.82 0.02 . 1 . . . . . . . . . 4988 1 261 . 1 1 37 37 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . . 4988 1 262 . 1 1 37 37 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . . 4988 1 263 . 1 1 37 37 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . . 4988 1 264 . 1 1 37 37 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . . 4988 1 265 . 1 1 37 37 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . . 4988 1 266 . 1 1 37 37 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . . 4988 1 267 . 1 1 37 37 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . . 4988 1 stop_ save_