################################### # 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 5342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experimental_Conditions _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 '1H-1H DQFCOSY' 1 $Sample_1 . 5342 1 2 '1H-1H TOCSY' 1 $Sample_1 . 5342 1 3 '1H-1H NOESY' 1 $Sample_1 . 5342 1 4 '1H-1H ROESY' 1 $Sample_1 . 5342 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 TRP H H 1 8.08 0.007 . 1 . . . . . . . . . 5342 1 2 . 1 1 1 1 TRP HA H 1 4.49 0.007 . 1 . . . . . . . . . 5342 1 3 . 1 1 1 1 TRP HB2 H 1 3.10 0.007 . 1 . . . . . . . . . 5342 1 4 . 1 1 1 1 TRP HB3 H 1 3.14 0.007 . 1 . . . . . . . . . 5342 1 5 . 1 1 1 1 TRP HD1 H 1 7.26 0.007 . 1 . . . . . . . . . 5342 1 6 . 1 1 1 1 TRP HE1 H 1 10.04 0.007 . 1 . . . . . . . . . 5342 1 7 . 1 1 1 1 TRP HE3 H 1 7.62 0.007 . 1 . . . . . . . . . 5342 1 8 . 1 1 1 1 TRP HZ2 H 1 7.20 0.007 . 1 . . . . . . . . . 5342 1 9 . 1 1 1 1 TRP HZ3 H 1 7.19 0.007 . 1 . . . . . . . . . 5342 1 10 . 1 1 1 1 TRP HH2 H 1 7.46 0.007 . 1 . . . . . . . . . 5342 1 11 . 1 1 2 2 PRO HA H 1 4.43 0.007 . 1 . . . . . . . . . 5342 1 12 . 1 1 2 2 PRO HB2 H 1 1.84 0.007 . 1 . . . . . . . . . 5342 1 13 . 1 1 2 2 PRO HB3 H 1 2.26 0.007 . 1 . . . . . . . . . 5342 1 14 . 1 1 2 2 PRO HG2 H 1 1.96 0.007 . 1 . . . . . . . . . 5342 1 15 . 1 1 2 2 PRO HG3 H 1 1.96 0.007 . 1 . . . . . . . . . 5342 1 16 . 1 1 2 2 PRO HD2 H 1 3.60 0.007 . 1 . . . . . . . . . 5342 1 17 . 1 1 2 2 PRO HD3 H 1 3.81 0.007 . 1 . . . . . . . . . 5342 1 18 . 1 1 3 3 PRO HA H 1 4.42 0.007 . 1 . . . . . . . . . 5342 1 19 . 1 1 3 3 PRO HB2 H 1 1.84 0.007 . 1 . . . . . . . . . 5342 1 20 . 1 1 3 3 PRO HB3 H 1 2.27 0.007 . 1 . . . . . . . . . 5342 1 21 . 1 1 3 3 PRO HG2 H 1 1.99 0.007 . 1 . . . . . . . . . 5342 1 22 . 1 1 3 3 PRO HG3 H 1 1.99 0.007 . 1 . . . . . . . . . 5342 1 23 . 1 1 3 3 PRO HD2 H 1 3.56 0.007 . 1 . . . . . . . . . 5342 1 24 . 1 1 3 3 PRO HD3 H 1 3.84 0.007 . 1 . . . . . . . . . 5342 1 25 . 1 1 4 4 ARG H H 1 8.28 0.007 . 1 . . . . . . . . . 5342 1 26 . 1 1 4 4 ARG HA H 1 4.22 0.007 . 1 . . . . . . . . . 5342 1 27 . 1 1 4 4 ARG HB2 H 1 1.74 0.007 . 1 . . . . . . . . . 5342 1 28 . 1 1 4 4 ARG HB3 H 1 1.74 0.007 . 1 . . . . . . . . . 5342 1 29 . 1 1 4 4 ARG HG2 H 1 1.52 0.007 . 1 . . . . . . . . . 5342 1 30 . 1 1 4 4 ARG HG3 H 1 1.52 0.007 . 1 . . . . . . . . . 5342 1 31 . 1 1 4 4 ARG HD2 H 1 3.11 0.007 . 1 . . . . . . . . . 5342 1 32 . 1 1 4 4 ARG HD3 H 1 3.11 0.007 . 1 . . . . . . . . . 5342 1 33 . 1 1 5 5 SER H H 1 7.87 0.007 . 1 . . . . . . . . . 5342 1 34 . 1 1 5 5 SER HA H 1 4.52 0.007 . 1 . . . . . . . . . 5342 1 35 . 1 1 5 5 SER HB2 H 1 3.61 0.007 . 1 . . . . . . . . . 5342 1 36 . 1 1 5 5 SER HB3 H 1 3.61 0.007 . 1 . . . . . . . . . 5342 1 37 . 1 1 6 6 TYR H H 1 8.70 0.007 . 1 . . . . . . . . . 5342 1 38 . 1 1 6 6 TYR HA H 1 4.56 0.007 . 1 . . . . . . . . . 5342 1 39 . 1 1 6 6 TYR HB2 H 1 2.69 0.007 . 1 . . . . . . . . . 5342 1 40 . 1 1 6 6 TYR HB3 H 1 2.82 0.007 . 1 . . . . . . . . . 5342 1 41 . 1 1 6 6 TYR HD1 H 1 6.90 0.007 . 1 . . . . . . . . . 5342 1 42 . 1 1 6 6 TYR HD2 H 1 6.90 0.007 . 1 . . . . . . . . . 5342 1 43 . 1 1 6 6 TYR HE1 H 1 6.68 0.007 . 1 . . . . . . . . . 5342 1 44 . 1 1 6 6 TYR HE2 H 1 6.68 0.007 . 1 . . . . . . . . . 5342 1 45 . 1 1 7 7 THR H H 1 8.47 0.007 . 1 . . . . . . . . . 5342 1 46 . 1 1 7 7 THR HA H 1 4.91 0.007 . 1 . . . . . . . . . 5342 1 47 . 1 1 7 7 THR HB H 1 3.73 0.007 . 1 . . . . . . . . . 5342 1 48 . 1 1 7 7 THR HG21 H 1 0.94 0.007 . 1 . . . . . . . . . 5342 1 49 . 1 1 7 7 THR HG22 H 1 0.94 0.007 . 1 . . . . . . . . . 5342 1 50 . 1 1 7 7 THR HG23 H 1 0.94 0.007 . 1 . . . . . . . . . 5342 1 51 . 1 1 8 8 CYS H H 1 9.10 0.007 . 1 . . . . . . . . . 5342 1 52 . 1 1 8 8 CYS HA H 1 4.53 0.007 . 1 . . . . . . . . . 5342 1 53 . 1 1 8 8 CYS HB2 H 1 2.92 0.007 . 1 . . . . . . . . . 5342 1 54 . 1 1 8 8 CYS HB3 H 1 3.38 0.007 . 1 . . . . . . . . . 5342 1 55 . 1 1 9 9 SER H H 1 8.92 0.007 . 1 . . . . . . . . . 5342 1 56 . 1 1 9 9 SER HA H 1 4.10 0.007 . 1 . . . . . . . . . 5342 1 57 . 1 1 9 9 SER HB2 H 1 3.66 0.007 . 1 . . . . . . . . . 5342 1 58 . 1 1 9 9 SER HB3 H 1 3.72 0.007 . 1 . . . . . . . . . 5342 1 59 . 1 1 10 10 PHE H H 1 8.95 0.007 . 1 . . . . . . . . . 5342 1 60 . 1 1 10 10 PHE HA H 1 4.35 0.007 . 1 . . . . . . . . . 5342 1 61 . 1 1 10 10 PHE HB2 H 1 2.00 0.007 . 1 . . . . . . . . . 5342 1 62 . 1 1 10 10 PHE HB3 H 1 2.46 0.007 . 1 . . . . . . . . . 5342 1 63 . 1 1 10 10 PHE HD1 H 1 6.98 0.007 . 1 . . . . . . . . . 5342 1 64 . 1 1 10 10 PHE HD2 H 1 6.98 0.007 . 1 . . . . . . . . . 5342 1 65 . 1 1 10 10 PHE HE1 H 1 7.23 0.007 . 1 . . . . . . . . . 5342 1 66 . 1 1 10 10 PHE HE2 H 1 7.23 0.007 . 1 . . . . . . . . . 5342 1 67 . 1 1 10 10 PHE HZ H 1 7.25 0.007 . 1 . . . . . . . . . 5342 1 68 . 1 1 11 11 CYS H H 1 8.37 0.007 . 1 . . . . . . . . . 5342 1 69 . 1 1 11 11 CYS HA H 1 5.08 0.007 . 1 . . . . . . . . . 5342 1 70 . 1 1 11 11 CYS HB2 H 1 2.96 0.007 . 1 . . . . . . . . . 5342 1 71 . 1 1 11 11 CYS HB3 H 1 3.44 0.007 . 1 . . . . . . . . . 5342 1 72 . 1 1 12 12 LYS H H 1 8.01 0.007 . 1 . . . . . . . . . 5342 1 73 . 1 1 12 12 LYS HA H 1 4.06 0.007 . 1 . . . . . . . . . 5342 1 74 . 1 1 12 12 LYS HB2 H 1 1.95 0.007 . 1 . . . . . . . . . 5342 1 75 . 1 1 12 12 LYS HB3 H 1 2.14 0.007 . 1 . . . . . . . . . 5342 1 76 . 1 1 12 12 LYS HG2 H 1 1.20 0.007 . 1 . . . . . . . . . 5342 1 77 . 1 1 12 12 LYS HG3 H 1 1.33 0.007 . 1 . . . . . . . . . 5342 1 78 . 1 1 12 12 LYS HD2 H 1 1.54 0.007 . 1 . . . . . . . . . 5342 1 79 . 1 1 12 12 LYS HD3 H 1 1.65 0.007 . 1 . . . . . . . . . 5342 1 80 . 1 1 12 12 LYS HE2 H 1 2.98 0.007 . 1 . . . . . . . . . 5342 1 81 . 1 1 12 12 LYS HE3 H 1 2.98 0.007 . 1 . . . . . . . . . 5342 1 82 . 1 1 13 13 ARG H H 1 7.85 0.007 . 1 . . . . . . . . . 5342 1 83 . 1 1 13 13 ARG HA H 1 4.06 0.007 . 1 . . . . . . . . . 5342 1 84 . 1 1 13 13 ARG HB2 H 1 1.32 0.007 . 1 . . . . . . . . . 5342 1 85 . 1 1 13 13 ARG HB3 H 1 1.82 0.007 . 1 . . . . . . . . . 5342 1 86 . 1 1 13 13 ARG HG2 H 1 1.47 0.007 . 1 . . . . . . . . . 5342 1 87 . 1 1 13 13 ARG HG3 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 88 . 1 1 13 13 ARG HD2 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 89 . 1 1 13 13 ARG HD3 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 90 . 1 1 14 14 GLU H H 1 7.99 0.007 . 1 . . . . . . . . . 5342 1 91 . 1 1 14 14 GLU HA H 1 4.80 0.007 . 1 . . . . . . . . . 5342 1 92 . 1 1 14 14 GLU HB2 H 1 1.67 0.007 . 1 . . . . . . . . . 5342 1 93 . 1 1 14 14 GLU HB3 H 1 1.75 0.007 . 1 . . . . . . . . . 5342 1 94 . 1 1 14 14 GLU HG2 H 1 2.14 0.007 . 1 . . . . . . . . . 5342 1 95 . 1 1 14 14 GLU HG3 H 1 2.14 0.007 . 1 . . . . . . . . . 5342 1 96 . 1 1 15 15 PHE H H 1 8.89 0.007 . 1 . . . . . . . . . 5342 1 97 . 1 1 15 15 PHE HA H 1 4.62 0.007 . 1 . . . . . . . . . 5342 1 98 . 1 1 15 15 PHE HB2 H 1 2.81 0.007 . 1 . . . . . . . . . 5342 1 99 . 1 1 15 15 PHE HB3 H 1 3.21 0.007 . 1 . . . . . . . . . 5342 1 100 . 1 1 15 15 PHE HD1 H 1 7.18 0.007 . 1 . . . . . . . . . 5342 1 101 . 1 1 15 15 PHE HD2 H 1 7.18 0.007 . 1 . . . . . . . . . 5342 1 102 . 1 1 15 15 PHE HE1 H 1 6.74 0.007 . 1 . . . . . . . . . 5342 1 103 . 1 1 15 15 PHE HE2 H 1 6.74 0.007 . 1 . . . . . . . . . 5342 1 104 . 1 1 15 15 PHE HZ H 1 5.95 0.007 . 1 . . . . . . . . . 5342 1 105 . 1 1 16 16 ARG H H 1 7.43 0.007 . 1 . . . . . . . . . 5342 1 106 . 1 1 16 16 ARG HA H 1 4.55 0.007 . 1 . . . . . . . . . 5342 1 107 . 1 1 16 16 ARG HB2 H 1 1.84 0.007 . 1 . . . . . . . . . 5342 1 108 . 1 1 16 16 ARG HB3 H 1 1.84 0.007 . 1 . . . . . . . . . 5342 1 109 . 1 1 16 16 ARG HG2 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 110 . 1 1 16 16 ARG HG3 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 111 . 1 1 16 16 ARG HD2 H 1 3.14 0.007 . 1 . . . . . . . . . 5342 1 112 . 1 1 16 16 ARG HD3 H 1 3.14 0.007 . 1 . . . . . . . . . 5342 1 113 . 1 1 17 17 SER H H 1 7.32 0.007 . 1 . . . . . . . . . 5342 1 114 . 1 1 17 17 SER HA H 1 4.39 0.007 . 1 . . . . . . . . . 5342 1 115 . 1 1 17 17 SER HB2 H 1 3.81 0.007 . 1 . . . . . . . . . 5342 1 116 . 1 1 17 17 SER HB3 H 1 4.06 0.007 . 1 . . . . . . . . . 5342 1 117 . 1 1 18 18 ALA H H 1 8.32 0.007 . 1 . . . . . . . . . 5342 1 118 . 1 1 18 18 ALA HA H 1 3.35 0.007 . 1 . . . . . . . . . 5342 1 119 . 1 1 18 18 ALA HB1 H 1 1.12 0.007 . 1 . . . . . . . . . 5342 1 120 . 1 1 18 18 ALA HB2 H 1 1.12 0.007 . 1 . . . . . . . . . 5342 1 121 . 1 1 18 18 ALA HB3 H 1 1.12 0.007 . 1 . . . . . . . . . 5342 1 122 . 1 1 19 19 GLN H H 1 7.88 0.007 . 1 . . . . . . . . . 5342 1 123 . 1 1 19 19 GLN HA H 1 3.94 0.007 . 1 . . . . . . . . . 5342 1 124 . 1 1 19 19 GLN HB2 H 1 1.90 0.007 . 1 . . . . . . . . . 5342 1 125 . 1 1 19 19 GLN HB3 H 1 1.99 0.007 . 1 . . . . . . . . . 5342 1 126 . 1 1 19 19 GLN HG2 H 1 2.34 0.007 . 1 . . . . . . . . . 5342 1 127 . 1 1 19 19 GLN HG3 H 1 2.34 0.007 . 1 . . . . . . . . . 5342 1 128 . 1 1 20 20 ALA H H 1 7.88 0.007 . 1 . . . . . . . . . 5342 1 129 . 1 1 20 20 ALA HA H 1 4.05 0.007 . 1 . . . . . . . . . 5342 1 130 . 1 1 20 20 ALA HB1 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 131 . 1 1 20 20 ALA HB2 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 132 . 1 1 20 20 ALA HB3 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 133 . 1 1 21 21 LEU H H 1 7.35 0.007 . 1 . . . . . . . . . 5342 1 134 . 1 1 21 21 LEU HA H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 135 . 1 1 21 21 LEU HB2 H 1 1.27 0.007 . 1 . . . . . . . . . 5342 1 136 . 1 1 21 21 LEU HB3 H 1 1.76 0.007 . 1 . . . . . . . . . 5342 1 137 . 1 1 21 21 LEU HG H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 138 . 1 1 21 21 LEU HD11 H 1 0.92 0.007 . 1 . . . . . . . . . 5342 1 139 . 1 1 21 21 LEU HD12 H 1 0.92 0.007 . 1 . . . . . . . . . 5342 1 140 . 1 1 21 21 LEU HD13 H 1 0.92 0.007 . 1 . . . . . . . . . 5342 1 141 . 1 1 21 21 LEU HD21 H 1 0.98 0.007 . 1 . . . . . . . . . 5342 1 142 . 1 1 21 21 LEU HD22 H 1 0.98 0.007 . 1 . . . . . . . . . 5342 1 143 . 1 1 21 21 LEU HD23 H 1 0.98 0.007 . 1 . . . . . . . . . 5342 1 144 . 1 1 22 22 GLY H H 1 8.30 0.007 . 1 . . . . . . . . . 5342 1 145 . 1 1 22 22 GLY HA2 H 1 3.65 0.007 . 1 . . . . . . . . . 5342 1 146 . 1 1 22 22 GLY HA3 H 1 3.79 0.007 . 1 . . . . . . . . . 5342 1 147 . 1 1 23 23 GLY H H 1 7.88 0.007 . 1 . . . . . . . . . 5342 1 148 . 1 1 23 23 GLY HA2 H 1 3.81 0.007 . 1 . . . . . . . . . 5342 1 149 . 1 1 23 23 GLY HA3 H 1 4.05 0.007 . 1 . . . . . . . . . 5342 1 150 . 1 1 24 24 HIS H H 1 7.46 0.007 . 1 . . . . . . . . . 5342 1 151 . 1 1 24 24 HIS HA H 1 4.27 0.007 . 1 . . . . . . . . . 5342 1 152 . 1 1 24 24 HIS HB2 H 1 2.65 0.007 . 1 . . . . . . . . . 5342 1 153 . 1 1 24 24 HIS HB3 H 1 3.01 0.007 . 1 . . . . . . . . . 5342 1 154 . 1 1 24 24 HIS HD2 H 1 6.99 0.007 . 3 . . . . . . . . . 5342 1 155 . 1 1 24 24 HIS HE1 H 1 7.97 0.007 . 3 . . . . . . . . . 5342 1 156 . 1 1 25 25 MET H H 1 7.44 0.007 . 1 . . . . . . . . . 5342 1 157 . 1 1 25 25 MET HA H 1 4.04 0.007 . 1 . . . . . . . . . 5342 1 158 . 1 1 25 25 MET HB2 H 1 1.65 0.007 . 1 . . . . . . . . . 5342 1 159 . 1 1 25 25 MET HB3 H 1 1.83 0.007 . 1 . . . . . . . . . 5342 1 160 . 1 1 25 25 MET HG2 H 1 2.15 0.007 . 1 . . . . . . . . . 5342 1 161 . 1 1 25 25 MET HG3 H 1 2.15 0.007 . 1 . . . . . . . . . 5342 1 162 . 1 1 25 25 MET HE1 H 1 2.44 0.007 . 1 . . . . . . . . . 5342 1 163 . 1 1 25 25 MET HE2 H 1 2.44 0.007 . 1 . . . . . . . . . 5342 1 164 . 1 1 25 25 MET HE3 H 1 2.44 0.007 . 1 . . . . . . . . . 5342 1 165 . 1 1 26 26 ASN H H 1 7.35 0.007 . 1 . . . . . . . . . 5342 1 166 . 1 1 26 26 ASN HA H 1 4.31 0.007 . 1 . . . . . . . . . 5342 1 167 . 1 1 26 26 ASN HB2 H 1 2.70 0.007 . 1 . . . . . . . . . 5342 1 168 . 1 1 26 26 ASN HB3 H 1 2.76 0.007 . 1 . . . . . . . . . 5342 1 169 . 1 1 27 27 VAL H H 1 7.86 0.007 . 1 . . . . . . . . . 5342 1 170 . 1 1 27 27 VAL HA H 1 3.73 0.007 . 1 . . . . . . . . . 5342 1 171 . 1 1 27 27 VAL HB H 1 1.80 0.007 . 1 . . . . . . . . . 5342 1 172 . 1 1 27 27 VAL HG11 H 1 0.47 0.007 . 1 . . . . . . . . . 5342 1 173 . 1 1 27 27 VAL HG12 H 1 0.47 0.007 . 1 . . . . . . . . . 5342 1 174 . 1 1 27 27 VAL HG13 H 1 0.47 0.007 . 1 . . . . . . . . . 5342 1 175 . 1 1 27 27 VAL HG21 H 1 0.57 0.007 . 1 . . . . . . . . . 5342 1 176 . 1 1 27 27 VAL HG22 H 1 0.57 0.007 . 1 . . . . . . . . . 5342 1 177 . 1 1 27 27 VAL HG23 H 1 0.57 0.007 . 1 . . . . . . . . . 5342 1 178 . 1 1 28 28 HIS H H 1 6.95 0.007 . 1 . . . . . . . . . 5342 1 179 . 1 1 28 28 HIS HA H 1 4.57 0.007 . 1 . . . . . . . . . 5342 1 180 . 1 1 28 28 HIS HB2 H 1 2.42 0.007 . 1 . . . . . . . . . 5342 1 181 . 1 1 28 28 HIS HB3 H 1 2.57 0.007 . 1 . . . . . . . . . 5342 1 182 . 1 1 28 28 HIS HD2 H 1 6.77 0.007 . 1 . . . . . . . . . 5342 1 183 . 1 1 28 28 HIS HE1 H 1 8.04 0.007 . 1 . . . . . . . . . 5342 1 184 . 1 1 29 29 ARG H H 1 7.44 0.007 . 1 . . . . . . . . . 5342 1 185 . 1 1 29 29 ARG HA H 1 4.73 0.007 . 1 . . . . . . . . . 5342 1 186 . 1 1 29 29 ARG HB2 H 1 1.65 0.007 . 1 . . . . . . . . . 5342 1 187 . 1 1 29 29 ARG HB3 H 1 1.65 0.007 . 1 . . . . . . . . . 5342 1 188 . 1 1 29 29 ARG HG2 H 1 1.55 0.007 . 1 . . . . . . . . . 5342 1 189 . 1 1 29 29 ARG HG3 H 1 1.55 0.007 . 1 . . . . . . . . . 5342 1 190 . 1 1 29 29 ARG HD2 H 1 3.20 0.007 . 1 . . . . . . . . . 5342 1 191 . 1 1 29 29 ARG HD3 H 1 3.20 0.007 . 1 . . . . . . . . . 5342 1 192 . 1 1 30 30 ARG H H 1 8.28 0.007 . 1 . . . . . . . . . 5342 1 193 . 1 1 30 30 ARG HA H 1 4.13 0.007 . 1 . . . . . . . . . 5342 1 194 . 1 1 30 30 ARG HB2 H 1 1.63 0.007 . 1 . . . . . . . . . 5342 1 195 . 1 1 30 30 ARG HB3 H 1 1.63 0.007 . 1 . . . . . . . . . 5342 1 196 . 1 1 30 30 ARG HG2 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 197 . 1 1 30 30 ARG HG3 H 1 1.53 0.007 . 1 . . . . . . . . . 5342 1 198 . 1 1 30 30 ARG HD2 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 199 . 1 1 30 30 ARG HD3 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 200 . 1 1 31 31 ASP H H 1 7.80 0.007 . 1 . . . . . . . . . 5342 1 201 . 1 1 31 31 ASP HA H 1 4.50 0.007 . 1 . . . . . . . . . 5342 1 202 . 1 1 31 31 ASP HB2 H 1 3.56 0.007 . 1 . . . . . . . . . 5342 1 203 . 1 1 31 31 ASP HB3 H 1 3.56 0.007 . 1 . . . . . . . . . 5342 1 204 . 1 1 32 32 ARG H H 1 8.09 0.007 . 1 . . . . . . . . . 5342 1 205 . 1 1 32 32 ARG HA H 1 4.26 0.007 . 1 . . . . . . . . . 5342 1 206 . 1 1 32 32 ARG HB2 H 1 1.80 0.007 . 1 . . . . . . . . . 5342 1 207 . 1 1 32 32 ARG HB3 H 1 1.80 0.007 . 1 . . . . . . . . . 5342 1 208 . 1 1 32 32 ARG HG2 H 1 1.61 0.007 . 1 . . . . . . . . . 5342 1 209 . 1 1 32 32 ARG HG3 H 1 1.61 0.007 . 1 . . . . . . . . . 5342 1 210 . 1 1 32 32 ARG HD2 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 211 . 1 1 32 32 ARG HD3 H 1 3.12 0.007 . 1 . . . . . . . . . 5342 1 212 . 1 1 33 33 ALA H H 1 8.02 0.007 . 1 . . . . . . . . . 5342 1 213 . 1 1 33 33 ALA HA H 1 4.19 0.007 . 1 . . . . . . . . . 5342 1 214 . 1 1 33 33 ALA HB1 H 1 1.39 0.007 . 1 . . . . . . . . . 5342 1 215 . 1 1 33 33 ALA HB2 H 1 1.39 0.007 . 1 . . . . . . . . . 5342 1 216 . 1 1 33 33 ALA HB3 H 1 1.39 0.007 . 1 . . . . . . . . . 5342 1 217 . 1 1 34 34 ARG H H 1 7.93 0.007 . 1 . . . . . . . . . 5342 1 218 . 1 1 34 34 ARG HA H 1 4.18 0.007 . 1 . . . . . . . . . 5342 1 219 . 1 1 34 34 ARG HB2 H 1 1.78 0.007 . 1 . . . . . . . . . 5342 1 220 . 1 1 34 34 ARG HB3 H 1 1.83 0.007 . 1 . . . . . . . . . 5342 1 221 . 1 1 34 34 ARG HG2 H 1 1.56 0.007 . 1 . . . . . . . . . 5342 1 222 . 1 1 34 34 ARG HG3 H 1 1.56 0.007 . 1 . . . . . . . . . 5342 1 223 . 1 1 34 34 ARG HD2 H 1 3.14 0.007 . 1 . . . . . . . . . 5342 1 224 . 1 1 34 34 ARG HD3 H 1 3.14 0.007 . 1 . . . . . . . . . 5342 1 225 . 1 1 35 35 LEU H H 1 7.89 0.007 . 1 . . . . . . . . . 5342 1 226 . 1 1 35 35 LEU HA H 1 4.23 0.007 . 1 . . . . . . . . . 5342 1 227 . 1 1 35 35 LEU HB2 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 228 . 1 1 35 35 LEU HB3 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 229 . 1 1 35 35 LEU HG H 1 1.60 0.007 . 1 . . . . . . . . . 5342 1 230 . 1 1 35 35 LEU HD11 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 231 . 1 1 35 35 LEU HD12 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 232 . 1 1 35 35 LEU HD13 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 233 . 1 1 35 35 LEU HD21 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 234 . 1 1 35 35 LEU HD22 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 235 . 1 1 35 35 LEU HD23 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 236 . 1 1 36 36 ARG H H 1 8.03 0.007 . 1 . . . . . . . . . 5342 1 237 . 1 1 36 36 ARG HA H 1 4.25 0.007 . 1 . . . . . . . . . 5342 1 238 . 1 1 36 36 ARG HB2 H 1 1.62 0.007 . 1 . . . . . . . . . 5342 1 239 . 1 1 36 36 ARG HB3 H 1 1.62 0.007 . 1 . . . . . . . . . 5342 1 240 . 1 1 36 36 ARG HG2 H 1 1.57 0.007 . 1 . . . . . . . . . 5342 1 241 . 1 1 36 36 ARG HG3 H 1 1.57 0.007 . 1 . . . . . . . . . 5342 1 242 . 1 1 36 36 ARG HD2 H 1 3.11 0.007 . 1 . . . . . . . . . 5342 1 243 . 1 1 36 36 ARG HD3 H 1 3.11 0.007 . 1 . . . . . . . . . 5342 1 244 . 1 1 37 37 LEU H H 1 7.89 0.007 . 1 . . . . . . . . . 5342 1 245 . 1 1 37 37 LEU HA H 1 4.23 0.007 . 1 . . . . . . . . . 5342 1 246 . 1 1 37 37 LEU HB2 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 247 . 1 1 37 37 LEU HB3 H 1 1.64 0.007 . 1 . . . . . . . . . 5342 1 248 . 1 1 37 37 LEU HG H 1 1.57 0.007 . 1 . . . . . . . . . 5342 1 249 . 1 1 37 37 LEU HD11 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 250 . 1 1 37 37 LEU HD12 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 251 . 1 1 37 37 LEU HD13 H 1 0.81 0.007 . 1 . . . . . . . . . 5342 1 252 . 1 1 37 37 LEU HD21 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 253 . 1 1 37 37 LEU HD22 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 254 . 1 1 37 37 LEU HD23 H 1 0.88 0.007 . 1 . . . . . . . . . 5342 1 stop_ save_