################################### # 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_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4257 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4257 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 ASP HA H 1 4.24 0.005 . 1 . . . . . . . . 4257 1 2 . 1 1 1 1 ASP HB2 H 1 3.19 0.005 . 1 . . . . . . . . 4257 1 3 . 1 1 1 1 ASP HB3 H 1 3.19 0.005 . 1 . . . . . . . . 4257 1 4 . 1 1 2 2 THR H H 1 8.35 0.005 . 1 . . . . . . . . 4257 1 5 . 1 1 2 2 THR HA H 1 4.18 0.005 . 1 . . . . . . . . 4257 1 6 . 1 1 2 2 THR HB H 1 3.97 0.005 . 1 . . . . . . . . 4257 1 7 . 1 1 2 2 THR HG21 H 1 1.03 0.005 . 1 . . . . . . . . 4257 1 8 . 1 1 2 2 THR HG22 H 1 1.03 0.005 . 1 . . . . . . . . 4257 1 9 . 1 1 2 2 THR HG23 H 1 1.03 0.005 . 1 . . . . . . . . 4257 1 10 . 1 1 3 3 TRP H H 1 7.96 0.005 . 1 . . . . . . . . 4257 1 11 . 1 1 3 3 TRP HA H 1 4.62 0.005 . 1 . . . . . . . . 4257 1 12 . 1 1 3 3 TRP HB2 H 1 3.23 0.005 . 2 . . . . . . . . 4257 1 13 . 1 1 3 3 TRP HB3 H 1 3.19 0.005 . 2 . . . . . . . . 4257 1 14 . 1 1 3 3 TRP HD1 H 1 7.16 0.005 . 1 . . . . . . . . 4257 1 15 . 1 1 3 3 TRP HE1 H 1 9.75 0.005 . 1 . . . . . . . . 4257 1 16 . 1 1 3 3 TRP HE3 H 1 7.48 0.005 . 1 . . . . . . . . 4257 1 17 . 1 1 3 3 TRP HZ2 H 1 7.34 0.005 . 1 . . . . . . . . 4257 1 18 . 1 1 3 3 TRP HZ3 H 1 7.00 0.005 . 1 . . . . . . . . 4257 1 19 . 1 1 3 3 TRP HH2 H 1 7.08 0.005 . 1 . . . . . . . . 4257 1 20 . 1 1 4 4 THR H H 1 7.72 0.005 . 1 . . . . . . . . 4257 1 21 . 1 1 4 4 THR HA H 1 4.01 0.005 . 1 . . . . . . . . 4257 1 22 . 1 1 4 4 THR HB H 1 4.08 0.005 . 1 . . . . . . . . 4257 1 23 . 1 1 4 4 THR HG21 H 1 1.09 0.005 . 1 . . . . . . . . 4257 1 24 . 1 1 4 4 THR HG22 H 1 1.09 0.005 . 1 . . . . . . . . 4257 1 25 . 1 1 4 4 THR HG23 H 1 1.09 0.005 . 1 . . . . . . . . 4257 1 26 . 1 1 5 5 GLY H H 1 7.66 0.005 . 1 . . . . . . . . 4257 1 27 . 1 1 5 5 GLY HA2 H 1 3.70 0.005 . 1 . . . . . . . . 4257 1 28 . 1 1 5 5 GLY HA3 H 1 3.70 0.005 . 1 . . . . . . . . 4257 1 29 . 1 1 6 6 VAL H H 1 7.59 0.005 . 1 . . . . . . . . 4257 1 30 . 1 1 6 6 VAL HA H 1 3.71 0.005 . 1 . . . . . . . . 4257 1 31 . 1 1 6 6 VAL HB H 1 2.00 0.005 . 1 . . . . . . . . 4257 1 32 . 1 1 6 6 VAL HG11 H 1 0.93 0.005 . 2 . . . . . . . . 4257 1 33 . 1 1 6 6 VAL HG12 H 1 0.93 0.005 . 2 . . . . . . . . 4257 1 34 . 1 1 6 6 VAL HG13 H 1 0.93 0.005 . 2 . . . . . . . . 4257 1 35 . 1 1 6 6 VAL HG21 H 1 0.86 0.005 . 2 . . . . . . . . 4257 1 36 . 1 1 6 6 VAL HG22 H 1 0.86 0.005 . 2 . . . . . . . . 4257 1 37 . 1 1 6 6 VAL HG23 H 1 0.86 0.005 . 2 . . . . . . . . 4257 1 38 . 1 1 7 7 GLU H H 1 7.88 0.005 . 1 . . . . . . . . 4257 1 39 . 1 1 7 7 GLU HA H 1 3.78 0.005 . 1 . . . . . . . . 4257 1 40 . 1 1 7 7 GLU HB2 H 1 2.00 0.005 . 2 . . . . . . . . 4257 1 41 . 1 1 7 7 GLU HB3 H 1 1.91 0.005 . 2 . . . . . . . . 4257 1 42 . 1 1 7 7 GLU HG2 H 1 2.32 0.005 . 2 . . . . . . . . 4257 1 43 . 1 1 7 7 GLU HG3 H 1 2.24 0.005 . 2 . . . . . . . . 4257 1 44 . 1 1 8 8 ALA H H 1 7.56 0.005 . 1 . . . . . . . . 4257 1 45 . 1 1 8 8 ALA HA H 1 3.94 0.005 . 1 . . . . . . . . 4257 1 46 . 1 1 8 8 ALA HB1 H 1 1.36 0.005 . 1 . . . . . . . . 4257 1 47 . 1 1 8 8 ALA HB2 H 1 1.36 0.005 . 1 . . . . . . . . 4257 1 48 . 1 1 8 8 ALA HB3 H 1 1.36 0.005 . 1 . . . . . . . . 4257 1 49 . 1 1 9 9 LEU H H 1 7.43 0.005 . 1 . . . . . . . . 4257 1 50 . 1 1 9 9 LEU HA H 1 4.01 0.005 . 1 . . . . . . . . 4257 1 51 . 1 1 9 9 LEU HB2 H 1 1.61 0.005 . 1 . . . . . . . . 4257 1 52 . 1 1 9 9 LEU HB3 H 1 1.61 0.005 . 1 . . . . . . . . 4257 1 53 . 1 1 9 9 LEU HG H 1 1.77 0.005 . 1 . . . . . . . . 4257 1 54 . 1 1 9 9 LEU HD11 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 55 . 1 1 9 9 LEU HD12 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 56 . 1 1 9 9 LEU HD13 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 57 . 1 1 9 9 LEU HD21 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 58 . 1 1 9 9 LEU HD22 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 59 . 1 1 9 9 LEU HD23 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 60 . 1 1 10 10 ILE H H 1 8.06 0.005 . 1 . . . . . . . . 4257 1 61 . 1 1 10 10 ILE HA H 1 3.57 0.005 . 1 . . . . . . . . 4257 1 62 . 1 1 10 10 ILE HB H 1 1.80 0.005 . 1 . . . . . . . . 4257 1 63 . 1 1 10 10 ILE HG12 H 1 1.59 0.005 . 2 . . . . . . . . 4257 1 64 . 1 1 10 10 ILE HG13 H 1 1.12 0.005 . 2 . . . . . . . . 4257 1 65 . 1 1 10 10 ILE HG21 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 66 . 1 1 10 10 ILE HG22 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 67 . 1 1 10 10 ILE HG23 H 1 0.79 0.005 . 1 . . . . . . . . 4257 1 68 . 1 1 10 10 ILE HD11 H 1 0.70 0.005 . 1 . . . . . . . . 4257 1 69 . 1 1 10 10 ILE HD12 H 1 0.70 0.005 . 1 . . . . . . . . 4257 1 70 . 1 1 10 10 ILE HD13 H 1 0.70 0.005 . 1 . . . . . . . . 4257 1 71 . 1 1 11 11 ARG H H 1 7.61 0.005 . 1 . . . . . . . . 4257 1 72 . 1 1 11 11 ARG HA H 1 3.97 0.005 . 1 . . . . . . . . 4257 1 73 . 1 1 11 11 ARG HB2 H 1 1.88 0.005 . 2 . . . . . . . . 4257 1 74 . 1 1 11 11 ARG HB3 H 1 1.83 0.005 . 2 . . . . . . . . 4257 1 75 . 1 1 11 11 ARG HG2 H 1 1.70 0.005 . 2 . . . . . . . . 4257 1 76 . 1 1 11 11 ARG HG3 H 1 1.55 0.005 . 2 . . . . . . . . 4257 1 77 . 1 1 11 11 ARG HD2 H 1 3.03 0.005 . 1 . . . . . . . . 4257 1 78 . 1 1 11 11 ARG HD3 H 1 3.03 0.005 . 1 . . . . . . . . 4257 1 79 . 1 1 11 11 ARG HE H 1 6.96 0.005 . 1 . . . . . . . . 4257 1 80 . 1 1 11 11 ARG HH11 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 81 . 1 1 11 11 ARG HH12 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 82 . 1 1 11 11 ARG HH21 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 83 . 1 1 11 11 ARG HH22 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 84 . 1 1 12 12 ILE H H 1 7.80 0.005 . 1 . . . . . . . . 4257 1 85 . 1 1 12 12 ILE HA H 1 3.69 0.005 . 1 . . . . . . . . 4257 1 86 . 1 1 12 12 ILE HB H 1 1.99 0.005 . 1 . . . . . . . . 4257 1 87 . 1 1 12 12 ILE HG12 H 1 1.69 0.005 . 2 . . . . . . . . 4257 1 88 . 1 1 12 12 ILE HG13 H 1 1.04 0.005 . 2 . . . . . . . . 4257 1 89 . 1 1 12 12 ILE HG21 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 90 . 1 1 12 12 ILE HG22 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 91 . 1 1 12 12 ILE HG23 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 92 . 1 1 12 12 ILE HD11 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 93 . 1 1 12 12 ILE HD12 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 94 . 1 1 12 12 ILE HD13 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 95 . 1 1 13 13 LEU H H 1 8.46 0.005 . 1 . . . . . . . . 4257 1 96 . 1 1 13 13 LEU HA H 1 3.95 0.005 . 1 . . . . . . . . 4257 1 97 . 1 1 13 13 LEU HB2 H 1 1.79 0.005 . 2 . . . . . . . . 4257 1 98 . 1 1 13 13 LEU HB3 H 1 1.46 0.005 . 2 . . . . . . . . 4257 1 99 . 1 1 13 13 LEU HG H 1 1.71 0.005 . 1 . . . . . . . . 4257 1 100 . 1 1 13 13 LEU HD11 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 101 . 1 1 13 13 LEU HD12 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 102 . 1 1 13 13 LEU HD13 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 103 . 1 1 13 13 LEU HD21 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 104 . 1 1 13 13 LEU HD22 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 105 . 1 1 13 13 LEU HD23 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 106 . 1 1 14 14 GLN H H 1 8.41 0.005 . 1 . . . . . . . . 4257 1 107 . 1 1 14 14 GLN HA H 1 3.82 0.005 . 1 . . . . . . . . 4257 1 108 . 1 1 14 14 GLN HB2 H 1 2.16 0.005 . 2 . . . . . . . . 4257 1 109 . 1 1 14 14 GLN HB3 H 1 1.96 0.005 . 2 . . . . . . . . 4257 1 110 . 1 1 14 14 GLN HG2 H 1 2.52 0.005 . 2 . . . . . . . . 4257 1 111 . 1 1 14 14 GLN HG3 H 1 2.16 0.005 . 2 . . . . . . . . 4257 1 112 . 1 1 14 14 GLN HE21 H 1 6.56 0.005 . 2 . . . . . . . . 4257 1 113 . 1 1 14 14 GLN HE22 H 1 6.28 0.005 . 2 . . . . . . . . 4257 1 114 . 1 1 15 15 GLN H H 1 7.65 0.005 . 1 . . . . . . . . 4257 1 115 . 1 1 15 15 GLN HA H 1 4.07 0.005 . 1 . . . . . . . . 4257 1 116 . 1 1 15 15 GLN HB2 H 1 2.26 0.005 . 2 . . . . . . . . 4257 1 117 . 1 1 15 15 GLN HB3 H 1 2.17 0.005 . 2 . . . . . . . . 4257 1 118 . 1 1 15 15 GLN HG2 H 1 2.47 0.005 . 2 . . . . . . . . 4257 1 119 . 1 1 15 15 GLN HG3 H 1 2.32 0.005 . 2 . . . . . . . . 4257 1 120 . 1 1 15 15 GLN HE21 H 1 6.79 0.005 . 2 . . . . . . . . 4257 1 121 . 1 1 15 15 GLN HE22 H 1 6.42 0.005 . 2 . . . . . . . . 4257 1 122 . 1 1 16 16 LEU H H 1 8.45 0.005 . 1 . . . . . . . . 4257 1 123 . 1 1 16 16 LEU HA H 1 4.06 0.005 . 1 . . . . . . . . 4257 1 124 . 1 1 16 16 LEU HB2 H 1 1.79 0.005 . 2 . . . . . . . . 4257 1 125 . 1 1 16 16 LEU HB3 H 1 1.47 0.005 . 2 . . . . . . . . 4257 1 126 . 1 1 16 16 LEU HG H 1 1.71 0.005 . 1 . . . . . . . . 4257 1 127 . 1 1 16 16 LEU HD11 H 1 0.82 0.005 . 2 . . . . . . . . 4257 1 128 . 1 1 16 16 LEU HD12 H 1 0.82 0.005 . 2 . . . . . . . . 4257 1 129 . 1 1 16 16 LEU HD13 H 1 0.82 0.005 . 2 . . . . . . . . 4257 1 130 . 1 1 16 16 LEU HD21 H 1 0.75 0.005 . 2 . . . . . . . . 4257 1 131 . 1 1 16 16 LEU HD22 H 1 0.75 0.005 . 2 . . . . . . . . 4257 1 132 . 1 1 16 16 LEU HD23 H 1 0.75 0.005 . 2 . . . . . . . . 4257 1 133 . 1 1 17 17 LEU H H 1 8.61 0.005 . 1 . . . . . . . . 4257 1 134 . 1 1 17 17 LEU HA H 1 3.97 0.005 . 1 . . . . . . . . 4257 1 135 . 1 1 17 17 LEU HB2 H 1 1.84 0.005 . 2 . . . . . . . . 4257 1 136 . 1 1 17 17 LEU HB3 H 1 1.47 0.005 . 2 . . . . . . . . 4257 1 137 . 1 1 17 17 LEU HG H 1 1.71 0.005 . 1 . . . . . . . . 4257 1 138 . 1 1 17 17 LEU HD11 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 139 . 1 1 17 17 LEU HD12 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 140 . 1 1 17 17 LEU HD13 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 141 . 1 1 17 17 LEU HD21 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 142 . 1 1 17 17 LEU HD22 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 143 . 1 1 17 17 LEU HD23 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 144 . 1 1 18 18 PHE H H 1 8.12 0.005 . 1 . . . . . . . . 4257 1 145 . 1 1 18 18 PHE HA H 1 4.28 0.005 . 1 . . . . . . . . 4257 1 146 . 1 1 18 18 PHE HB2 H 1 3.27 0.005 . 1 . . . . . . . . 4257 1 147 . 1 1 18 18 PHE HB3 H 1 3.27 0.005 . 1 . . . . . . . . 4257 1 148 . 1 1 18 18 PHE HD1 H 1 7.17 0.005 . 4 . . . . . . . . 4257 1 149 . 1 1 18 18 PHE HD2 H 1 7.17 0.005 . 4 . . . . . . . . 4257 1 150 . 1 1 18 18 PHE HE1 H 1 7.21 0.005 . 4 . . . . . . . . 4257 1 151 . 1 1 18 18 PHE HE2 H 1 7.21 0.005 . 4 . . . . . . . . 4257 1 152 . 1 1 18 18 PHE HZ H 1 7.21 0.005 . 4 . . . . . . . . 4257 1 153 . 1 1 19 19 ILE H H 1 8.45 0.005 . 1 . . . . . . . . 4257 1 154 . 1 1 19 19 ILE HA H 1 3.54 0.005 . 1 . . . . . . . . 4257 1 155 . 1 1 19 19 ILE HB H 1 1.95 0.005 . 1 . . . . . . . . 4257 1 156 . 1 1 19 19 ILE HG12 H 1 1.85 0.005 . 2 . . . . . . . . 4257 1 157 . 1 1 19 19 ILE HG13 H 1 1.17 0.005 . 2 . . . . . . . . 4257 1 158 . 1 1 19 19 ILE HG21 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 159 . 1 1 19 19 ILE HG22 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 160 . 1 1 19 19 ILE HG23 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 161 . 1 1 19 19 ILE HD11 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 162 . 1 1 19 19 ILE HD12 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 163 . 1 1 19 19 ILE HD13 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 164 . 1 1 20 20 HIS H H 1 8.25 0.005 . 1 . . . . . . . . 4257 1 165 . 1 1 20 20 HIS HA H 1 4.05 0.005 . 1 . . . . . . . . 4257 1 166 . 1 1 20 20 HIS HB2 H 1 3.20 0.005 . 1 . . . . . . . . 4257 1 167 . 1 1 20 20 HIS HB3 H 1 3.20 0.005 . 1 . . . . . . . . 4257 1 168 . 1 1 20 20 HIS HD2 H 1 8.32 0.005 . 1 . . . . . . . . 4257 1 169 . 1 1 20 20 HIS HE1 H 1 6.75 0.005 . 1 . . . . . . . . 4257 1 170 . 1 1 21 21 PHE H H 1 8.44 0.005 . 1 . . . . . . . . 4257 1 171 . 1 1 21 21 PHE HA H 1 4.29 0.005 . 1 . . . . . . . . 4257 1 172 . 1 1 21 21 PHE HB2 H 1 3.13 0.005 . 1 . . . . . . . . 4257 1 173 . 1 1 21 21 PHE HB3 H 1 3.13 0.005 . 1 . . . . . . . . 4257 1 174 . 1 1 21 21 PHE HD1 H 1 7.13 0.005 . 1 . . . . . . . . 4257 1 175 . 1 1 21 21 PHE HD2 H 1 7.13 0.005 . 1 . . . . . . . . 4257 1 176 . 1 1 21 21 PHE HE1 H 1 7.13 0.005 . 1 . . . . . . . . 4257 1 177 . 1 1 21 21 PHE HE2 H 1 7.13 0.005 . 1 . . . . . . . . 4257 1 178 . 1 1 21 21 PHE HZ H 1 7.13 0.005 . 1 . . . . . . . . 4257 1 179 . 1 1 22 22 ARG H H 1 8.21 0.005 . 1 . . . . . . . . 4257 1 180 . 1 1 22 22 ARG HA H 1 3.82 0.005 . 1 . . . . . . . . 4257 1 181 . 1 1 22 22 ARG HB2 H 1 1.66 0.005 . 1 . . . . . . . . 4257 1 182 . 1 1 22 22 ARG HB3 H 1 1.66 0.005 . 1 . . . . . . . . 4257 1 183 . 1 1 22 22 ARG HG2 H 1 1.43 0.005 . 2 . . . . . . . . 4257 1 184 . 1 1 22 22 ARG HG3 H 1 1.37 0.005 . 2 . . . . . . . . 4257 1 185 . 1 1 22 22 ARG HD2 H 1 2.90 0.005 . 1 . . . . . . . . 4257 1 186 . 1 1 22 22 ARG HD3 H 1 2.90 0.005 . 1 . . . . . . . . 4257 1 187 . 1 1 22 22 ARG HE H 1 6.92 0.005 . 1 . . . . . . . . 4257 1 188 . 1 1 22 22 ARG HH11 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 189 . 1 1 22 22 ARG HH12 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 190 . 1 1 22 22 ARG HH21 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 191 . 1 1 22 22 ARG HH22 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 192 . 1 1 23 23 ILE H H 1 8.02 0.005 . 1 . . . . . . . . 4257 1 193 . 1 1 23 23 ILE HA H 1 3.74 0.005 . 1 . . . . . . . . 4257 1 194 . 1 1 23 23 ILE HB H 1 1.78 0.005 . 1 . . . . . . . . 4257 1 195 . 1 1 23 23 ILE HG12 H 1 1.49 0.005 . 2 . . . . . . . . 4257 1 196 . 1 1 23 23 ILE HG13 H 1 1.05 0.005 . 2 . . . . . . . . 4257 1 197 . 1 1 23 23 ILE HG21 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 198 . 1 1 23 23 ILE HG22 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 199 . 1 1 23 23 ILE HG23 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 200 . 1 1 23 23 ILE HD11 H 1 0.66 0.005 . 1 . . . . . . . . 4257 1 201 . 1 1 23 23 ILE HD12 H 1 0.66 0.005 . 1 . . . . . . . . 4257 1 202 . 1 1 23 23 ILE HD13 H 1 0.66 0.005 . 1 . . . . . . . . 4257 1 203 . 1 1 24 24 GLY H H 1 7.99 0.005 . 1 . . . . . . . . 4257 1 204 . 1 1 24 24 GLY HA2 H 1 3.76 0.005 . 1 . . . . . . . . 4257 1 205 . 1 1 24 24 GLY HA3 H 1 3.76 0.005 . 1 . . . . . . . . 4257 1 206 . 1 1 25 25 CYS H H 1 7.84 0.005 . 1 . . . . . . . . 4257 1 207 . 1 1 25 25 CYS HA H 1 4.19 0.005 . 1 . . . . . . . . 4257 1 208 . 1 1 25 25 CYS HB2 H 1 2.79 0.005 . 2 . . . . . . . . 4257 1 209 . 1 1 25 25 CYS HB3 H 1 2.67 0.005 . 2 . . . . . . . . 4257 1 210 . 1 1 26 26 ARG H H 1 7.76 0.005 . 1 . . . . . . . . 4257 1 211 . 1 1 26 26 ARG HA H 1 4.06 0.005 . 1 . . . . . . . . 4257 1 212 . 1 1 26 26 ARG HB2 H 1 1.74 0.005 . 1 . . . . . . . . 4257 1 213 . 1 1 26 26 ARG HB3 H 1 1.74 0.005 . 1 . . . . . . . . 4257 1 214 . 1 1 26 26 ARG HG2 H 1 1.58 0.005 . 2 . . . . . . . . 4257 1 215 . 1 1 26 26 ARG HG3 H 1 1.51 0.005 . 2 . . . . . . . . 4257 1 216 . 1 1 26 26 ARG HD2 H 1 3.06 0.005 . 1 . . . . . . . . 4257 1 217 . 1 1 26 26 ARG HD3 H 1 3.06 0.005 . 1 . . . . . . . . 4257 1 218 . 1 1 26 26 ARG HE H 1 7.05 0.005 . 1 . . . . . . . . 4257 1 219 . 1 1 26 26 ARG HH11 H 1 6.49 0.005 . 1 . . . . . . . . 4257 1 220 . 1 1 26 26 ARG HH12 H 1 6.49 0.005 . 1 . . . . . . . . 4257 1 221 . 1 1 26 26 ARG HH21 H 1 6.49 0.005 . 1 . . . . . . . . 4257 1 222 . 1 1 26 26 ARG HH22 H 1 6.49 0.005 . 1 . . . . . . . . 4257 1 223 . 1 1 27 27 HIS H H 1 8.15 0.005 . 1 . . . . . . . . 4257 1 224 . 1 1 27 27 HIS HA H 1 4.51 0.005 . 1 . . . . . . . . 4257 1 225 . 1 1 27 27 HIS HB2 H 1 3.25 0.005 . 2 . . . . . . . . 4257 1 226 . 1 1 27 27 HIS HB3 H 1 3.11 0.005 . 2 . . . . . . . . 4257 1 227 . 1 1 27 27 HIS HD2 H 1 7.18 0.005 . 1 . . . . . . . . 4257 1 228 . 1 1 27 27 HIS HE1 H 1 8.44 0.005 . 1 . . . . . . . . 4257 1 229 . 1 1 28 28 SER H H 1 7.95 0.005 . 1 . . . . . . . . 4257 1 230 . 1 1 28 28 SER HA H 1 4.32 0.005 . 1 . . . . . . . . 4257 1 231 . 1 1 28 28 SER HB2 H 1 3.89 0.005 . 2 . . . . . . . . 4257 1 232 . 1 1 28 28 SER HB3 H 1 3.82 0.005 . 2 . . . . . . . . 4257 1 233 . 1 1 29 29 ARG H H 1 8.10 0.005 . 1 . . . . . . . . 4257 1 234 . 1 1 29 29 ARG HA H 1 4.17 0.005 . 1 . . . . . . . . 4257 1 235 . 1 1 29 29 ARG HB2 H 1 1.83 0.005 . 2 . . . . . . . . 4257 1 236 . 1 1 29 29 ARG HB3 H 1 1.75 0.005 . 2 . . . . . . . . 4257 1 237 . 1 1 29 29 ARG HG2 H 1 1.63 0.005 . 2 . . . . . . . . 4257 1 238 . 1 1 29 29 ARG HG3 H 1 1.56 0.005 . 2 . . . . . . . . 4257 1 239 . 1 1 29 29 ARG HD2 H 1 3.09 0.005 . 1 . . . . . . . . 4257 1 240 . 1 1 29 29 ARG HD3 H 1 3.09 0.005 . 1 . . . . . . . . 4257 1 241 . 1 1 29 29 ARG HE H 1 7.01 0.005 . 1 . . . . . . . . 4257 1 242 . 1 1 29 29 ARG HH11 H 1 6.46 0.005 . 1 . . . . . . . . 4257 1 243 . 1 1 29 29 ARG HH12 H 1 6.46 0.005 . 1 . . . . . . . . 4257 1 244 . 1 1 29 29 ARG HH21 H 1 6.46 0.005 . 1 . . . . . . . . 4257 1 245 . 1 1 29 29 ARG HH22 H 1 6.46 0.005 . 1 . . . . . . . . 4257 1 246 . 1 1 30 30 ILE H H 1 7.72 0.005 . 1 . . . . . . . . 4257 1 247 . 1 1 30 30 ILE HA H 1 3.90 0.005 . 1 . . . . . . . . 4257 1 248 . 1 1 30 30 ILE HB H 1 1.75 0.005 . 1 . . . . . . . . 4257 1 249 . 1 1 30 30 ILE HG12 H 1 1.43 0.005 . 2 . . . . . . . . 4257 1 250 . 1 1 30 30 ILE HG13 H 1 1.12 0.005 . 2 . . . . . . . . 4257 1 251 . 1 1 30 30 ILE HG21 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 252 . 1 1 30 30 ILE HG22 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 253 . 1 1 30 30 ILE HG23 H 1 0.82 0.005 . 1 . . . . . . . . 4257 1 254 . 1 1 30 30 ILE HD11 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 255 . 1 1 30 30 ILE HD12 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 256 . 1 1 30 30 ILE HD13 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 257 . 1 1 31 31 GLY H H 1 7.92 0.005 . 1 . . . . . . . . 4257 1 258 . 1 1 31 31 GLY HA2 H 1 3.78 0.005 . 1 . . . . . . . . 4257 1 259 . 1 1 31 31 GLY HA3 H 1 3.78 0.005 . 1 . . . . . . . . 4257 1 260 . 1 1 32 32 ILE H H 1 7.57 0.005 . 1 . . . . . . . . 4257 1 261 . 1 1 32 32 ILE HA H 1 3.90 0.005 . 1 . . . . . . . . 4257 1 262 . 1 1 32 32 ILE HB H 1 1.83 0.005 . 1 . . . . . . . . 4257 1 263 . 1 1 32 32 ILE HG12 H 1 1.48 0.005 . 2 . . . . . . . . 4257 1 264 . 1 1 32 32 ILE HG13 H 1 1.10 0.005 . 2 . . . . . . . . 4257 1 265 . 1 1 32 32 ILE HG21 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 266 . 1 1 32 32 ILE HG22 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 267 . 1 1 32 32 ILE HG23 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 268 . 1 1 32 32 ILE HD11 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 269 . 1 1 32 32 ILE HD12 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 270 . 1 1 32 32 ILE HD13 H 1 0.74 0.005 . 1 . . . . . . . . 4257 1 271 . 1 1 33 33 ILE H H 1 7.71 0.005 . 1 . . . . . . . . 4257 1 272 . 1 1 33 33 ILE HA H 1 3.78 0.005 . 1 . . . . . . . . 4257 1 273 . 1 1 33 33 ILE HB H 1 1.83 0.005 . 1 . . . . . . . . 4257 1 274 . 1 1 33 33 ILE HG12 H 1 1.50 0.005 . 2 . . . . . . . . 4257 1 275 . 1 1 33 33 ILE HG13 H 1 1.09 0.005 . 2 . . . . . . . . 4257 1 276 . 1 1 33 33 ILE HG21 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 277 . 1 1 33 33 ILE HG22 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 278 . 1 1 33 33 ILE HG23 H 1 0.80 0.005 . 1 . . . . . . . . 4257 1 279 . 1 1 33 33 ILE HD11 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 280 . 1 1 33 33 ILE HD12 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 281 . 1 1 33 33 ILE HD13 H 1 0.75 0.005 . 1 . . . . . . . . 4257 1 282 . 1 1 34 34 GLN H H 1 8.12 0.005 . 1 . . . . . . . . 4257 1 283 . 1 1 34 34 GLN HA H 1 4.07 0.005 . 1 . . . . . . . . 4257 1 284 . 1 1 34 34 GLN HB2 H 1 2.32 0.005 . 2 . . . . . . . . 4257 1 285 . 1 1 34 34 GLN HB3 H 1 2.27 0.005 . 2 . . . . . . . . 4257 1 286 . 1 1 34 34 GLN HG2 H 1 2.00 0.005 . 1 . . . . . . . . 4257 1 287 . 1 1 34 34 GLN HG3 H 1 2.00 0.005 . 1 . . . . . . . . 4257 1 288 . 1 1 34 34 GLN HE21 H 1 7.02 0.005 . 2 . . . . . . . . 4257 1 289 . 1 1 34 34 GLN HE22 H 1 6.47 0.005 . 2 . . . . . . . . 4257 1 290 . 1 1 35 35 GLN H H 1 7.94 0.005 . 1 . . . . . . . . 4257 1 291 . 1 1 35 35 GLN HA H 1 4.09 0.005 . 1 . . . . . . . . 4257 1 292 . 1 1 35 35 GLN HB2 H 1 2.35 0.005 . 2 . . . . . . . . 4257 1 293 . 1 1 35 35 GLN HB3 H 1 2.28 0.005 . 2 . . . . . . . . 4257 1 294 . 1 1 35 35 GLN HG2 H 1 2.06 0.005 . 2 . . . . . . . . 4257 1 295 . 1 1 35 35 GLN HG3 H 1 2.01 0.005 . 2 . . . . . . . . 4257 1 296 . 1 1 35 35 GLN HE21 H 1 7.16 0.005 . 2 . . . . . . . . 4257 1 297 . 1 1 35 35 GLN HE22 H 1 6.50 0.005 . 2 . . . . . . . . 4257 1 298 . 1 1 36 36 ARG H H 1 8.01 0.005 . 1 . . . . . . . . 4257 1 299 . 1 1 36 36 ARG HA H 1 4.15 0.005 . 1 . . . . . . . . 4257 1 300 . 1 1 36 36 ARG HB2 H 1 1.82 0.005 . 2 . . . . . . . . 4257 1 301 . 1 1 36 36 ARG HB3 H 1 1.76 0.005 . 2 . . . . . . . . 4257 1 302 . 1 1 36 36 ARG HG2 H 1 1.56 0.005 . 1 . . . . . . . . 4257 1 303 . 1 1 36 36 ARG HG3 H 1 1.56 0.005 . 1 . . . . . . . . 4257 1 304 . 1 1 36 36 ARG HD2 H 1 3.07 0.005 . 1 . . . . . . . . 4257 1 305 . 1 1 36 36 ARG HD3 H 1 3.07 0.005 . 1 . . . . . . . . 4257 1 306 . 1 1 36 36 ARG HE H 1 7.05 0.005 . 1 . . . . . . . . 4257 1 307 . 1 1 36 36 ARG HH11 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 308 . 1 1 36 36 ARG HH12 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 309 . 1 1 36 36 ARG HH21 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 310 . 1 1 36 36 ARG HH22 H 1 6.48 0.005 . 1 . . . . . . . . 4257 1 311 . 1 1 37 37 ARG H H 1 8.05 0.005 . 1 . . . . . . . . 4257 1 312 . 1 1 37 37 ARG HA H 1 4.25 0.005 . 1 . . . . . . . . 4257 1 313 . 1 1 37 37 ARG HB2 H 1 1.84 0.005 . 2 . . . . . . . . 4257 1 314 . 1 1 37 37 ARG HB3 H 1 1.75 0.005 . 2 . . . . . . . . 4257 1 315 . 1 1 37 37 ARG HG2 H 1 1.64 0.005 . 2 . . . . . . . . 4257 1 316 . 1 1 37 37 ARG HG3 H 1 1.56 0.005 . 2 . . . . . . . . 4257 1 317 . 1 1 37 37 ARG HD2 H 1 3.09 0.005 . 1 . . . . . . . . 4257 1 318 . 1 1 37 37 ARG HD3 H 1 3.09 0.005 . 1 . . . . . . . . 4257 1 319 . 1 1 37 37 ARG HE H 1 7.06 0.005 . 1 . . . . . . . . 4257 1 320 . 1 1 37 37 ARG HH11 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 321 . 1 1 37 37 ARG HH12 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 322 . 1 1 37 37 ARG HH21 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 323 . 1 1 37 37 ARG HH22 H 1 6.47 0.005 . 1 . . . . . . . . 4257 1 324 . 1 1 38 38 THR H H 1 7.77 0.005 . 1 . . . . . . . . 4257 1 325 . 1 1 38 38 THR HA H 1 4.24 0.005 . 1 . . . . . . . . 4257 1 326 . 1 1 38 38 THR HB H 1 4.18 0.005 . 1 . . . . . . . . 4257 1 327 . 1 1 38 38 THR HG21 H 1 1.13 0.005 . 1 . . . . . . . . 4257 1 328 . 1 1 38 38 THR HG22 H 1 1.13 0.005 . 1 . . . . . . . . 4257 1 329 . 1 1 38 38 THR HG23 H 1 1.13 0.005 . 1 . . . . . . . . 4257 1 330 . 1 1 39 39 ARG H H 1 7.99 0.005 . 1 . . . . . . . . 4257 1 331 . 1 1 39 39 ARG HA H 1 4.24 0.005 . 1 . . . . . . . . 4257 1 332 . 1 1 39 39 ARG HB2 H 1 1.79 0.005 . 2 . . . . . . . . 4257 1 333 . 1 1 39 39 ARG HB3 H 1 1.71 0.005 . 2 . . . . . . . . 4257 1 334 . 1 1 39 39 ARG HG2 H 1 1.57 0.005 . 1 . . . . . . . . 4257 1 335 . 1 1 39 39 ARG HG3 H 1 1.57 0.005 . 1 . . . . . . . . 4257 1 336 . 1 1 39 39 ARG HD2 H 1 3.10 0.005 . 1 . . . . . . . . 4257 1 337 . 1 1 39 39 ARG HD3 H 1 3.10 0.005 . 1 . . . . . . . . 4257 1 338 . 1 1 39 39 ARG HE H 1 7.04 0.005 . 1 . . . . . . . . 4257 1 339 . 1 1 39 39 ARG HH11 H 1 6.50 0.005 . 1 . . . . . . . . 4257 1 340 . 1 1 39 39 ARG HH12 H 1 6.50 0.005 . 1 . . . . . . . . 4257 1 341 . 1 1 39 39 ARG HH21 H 1 6.50 0.005 . 1 . . . . . . . . 4257 1 342 . 1 1 39 39 ARG HH22 H 1 6.50 0.005 . 1 . . . . . . . . 4257 1 343 . 1 1 40 40 ASN H H 1 8.16 0.005 . 1 . . . . . . . . 4257 1 344 . 1 1 40 40 ASN HA H 1 4.61 0.005 . 1 . . . . . . . . 4257 1 345 . 1 1 40 40 ASN HB2 H 1 2.76 0.005 . 2 . . . . . . . . 4257 1 346 . 1 1 40 40 ASN HB3 H 1 2.69 0.005 . 2 . . . . . . . . 4257 1 347 . 1 1 40 40 ASN HD21 H 1 7.37 0.005 . 2 . . . . . . . . 4257 1 348 . 1 1 40 40 ASN HD22 H 1 6.64 0.005 . 2 . . . . . . . . 4257 1 349 . 1 1 41 41 GLY H H 1 8.11 0.005 . 1 . . . . . . . . 4257 1 350 . 1 1 41 41 GLY HA2 H 1 3.85 0.005 . 1 . . . . . . . . 4257 1 351 . 1 1 41 41 GLY HA3 H 1 3.85 0.005 . 1 . . . . . . . . 4257 1 352 . 1 1 42 42 ALA H H 1 7.90 0.005 . 1 . . . . . . . . 4257 1 353 . 1 1 42 42 ALA HA H 1 4.29 0.005 . 1 . . . . . . . . 4257 1 354 . 1 1 42 42 ALA HB1 H 1 1.31 0.005 . 1 . . . . . . . . 4257 1 355 . 1 1 42 42 ALA HB2 H 1 1.31 0.005 . 1 . . . . . . . . 4257 1 356 . 1 1 42 42 ALA HB3 H 1 1.31 0.005 . 1 . . . . . . . . 4257 1 357 . 1 1 43 43 SER H H 1 7.93 0.005 . 1 . . . . . . . . 4257 1 358 . 1 1 43 43 SER HA H 1 4.35 0.005 . 1 . . . . . . . . 4257 1 359 . 1 1 43 43 SER HB2 H 1 3.80 0.005 . 2 . . . . . . . . 4257 1 360 . 1 1 43 43 SER HB3 H 1 3.75 0.005 . 2 . . . . . . . . 4257 1 361 . 1 1 44 44 LYS H H 1 8.03 0.005 . 1 . . . . . . . . 4257 1 362 . 1 1 44 44 LYS HA H 1 4.33 0.005 . 1 . . . . . . . . 4257 1 363 . 1 1 44 44 LYS HB2 H 1 1.82 0.005 . 2 . . . . . . . . 4257 1 364 . 1 1 44 44 LYS HB3 H 1 1.61 0.005 . 2 . . . . . . . . 4257 1 365 . 1 1 44 44 LYS HG2 H 1 1.38 0.005 . 1 . . . . . . . . 4257 1 366 . 1 1 44 44 LYS HG3 H 1 1.38 0.005 . 1 . . . . . . . . 4257 1 367 . 1 1 44 44 LYS HD2 H 1 1.59 0.005 . 1 . . . . . . . . 4257 1 368 . 1 1 44 44 LYS HD3 H 1 1.59 0.005 . 1 . . . . . . . . 4257 1 369 . 1 1 44 44 LYS HE2 H 1 2.91 0.005 . 1 . . . . . . . . 4257 1 370 . 1 1 44 44 LYS HE3 H 1 2.91 0.005 . 1 . . . . . . . . 4257 1 371 . 1 1 44 44 LYS HZ1 H 1 7.40 0.005 . 1 . . . . . . . . 4257 1 372 . 1 1 44 44 LYS HZ2 H 1 7.40 0.005 . 1 . . . . . . . . 4257 1 373 . 1 1 44 44 LYS HZ3 H 1 7.40 0.005 . 1 . . . . . . . . 4257 1 374 . 1 1 45 45 SER H H 1 7.97 0.005 . 1 . . . . . . . . 4257 1 375 . 1 1 45 45 SER HA H 1 4.37 0.005 . 1 . . . . . . . . 4257 1 376 . 1 1 45 45 SER HB2 H 1 3.85 0.005 . 2 . . . . . . . . 4257 1 377 . 1 1 45 45 SER HB3 H 1 3.79 0.005 . 2 . . . . . . . . 4257 1 stop_ save_