################################### # 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_Assignment_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_1 _Assigned_chem_shift_list.Entry_ID 5697 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 $Sample_1 . 5697 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 MET N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 2 . 1 1 1 1 MET H H 1 8.53 0.02 . 1 . . . . . . . . 5697 1 3 . 1 1 2 2 ALA N N 15 125.10 0.05 . 1 . . . . . . . . 5697 1 4 . 1 1 2 2 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 5697 1 5 . 1 1 2 2 ALA HA H 1 5.20 0.02 . 1 . . . . . . . . 5697 1 6 . 1 1 2 2 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 7 . 1 1 2 2 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 8 . 1 1 2 2 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 9 . 1 1 3 3 TYR N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 10 . 1 1 3 3 TYR H H 1 8.84 0.02 . 1 . . . . . . . . 5697 1 11 . 1 1 3 3 TYR HA H 1 4.82 0.02 . 1 . . . . . . . . 5697 1 12 . 1 1 3 3 TYR HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5697 1 13 . 1 1 3 3 TYR HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5697 1 14 . 1 1 3 3 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 5697 1 15 . 1 1 3 3 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 5697 1 16 . 1 1 4 4 SER N N 15 115.20 0.05 . 1 . . . . . . . . 5697 1 17 . 1 1 4 4 SER H H 1 8.51 0.02 . 1 . . . . . . . . 5697 1 18 . 1 1 4 4 SER HA H 1 5.36 0.02 . 1 . . . . . . . . 5697 1 19 . 1 1 4 4 SER HB2 H 1 3.59 0.02 . 1 . . . . . . . . 5697 1 20 . 1 1 4 4 SER HB3 H 1 3.59 0.02 . 1 . . . . . . . . 5697 1 21 . 1 1 5 5 VAL N N 15 120.00 0.05 . 1 . . . . . . . . 5697 1 22 . 1 1 5 5 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 5697 1 23 . 1 1 5 5 VAL HA H 1 4.46 0.02 . 1 . . . . . . . . 5697 1 24 . 1 1 5 5 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 5697 1 25 . 1 1 5 5 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 26 . 1 1 5 5 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 27 . 1 1 5 5 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5697 1 28 . 1 1 5 5 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 29 . 1 1 5 5 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 30 . 1 1 5 5 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5697 1 31 . 1 1 6 6 THR N N 15 121.30 0.05 . 1 . . . . . . . . 5697 1 32 . 1 1 6 6 THR H H 1 8.55 0.02 . 1 . . . . . . . . 5697 1 33 . 1 1 6 6 THR HA H 1 5.05 0.02 . 1 . . . . . . . . 5697 1 34 . 1 1 6 6 THR HB H 1 3.80 0.02 . 1 . . . . . . . . 5697 1 35 . 1 1 6 6 THR HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 36 . 1 1 6 6 THR HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 37 . 1 1 6 6 THR HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5697 1 38 . 1 1 7 7 LEU N N 15 128.20 0.05 . 1 . . . . . . . . 5697 1 39 . 1 1 7 7 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 5697 1 40 . 1 1 7 7 LEU HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 41 . 1 1 7 7 LEU HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5697 1 42 . 1 1 7 7 LEU HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5697 1 43 . 1 1 7 7 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5697 1 44 . 1 1 7 7 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 45 . 1 1 7 7 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 46 . 1 1 7 7 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5697 1 47 . 1 1 7 7 LEU HD21 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 48 . 1 1 7 7 LEU HD22 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 49 . 1 1 7 7 LEU HD23 H 1 0.69 0.02 . 2 . . . . . . . . 5697 1 50 . 1 1 8 8 THR N N 15 118.70 0.05 . 1 . . . . . . . . 5697 1 51 . 1 1 8 8 THR H H 1 8.78 0.02 . 1 . . . . . . . . 5697 1 52 . 1 1 8 8 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 5697 1 53 . 1 1 8 8 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 54 . 1 1 8 8 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 55 . 1 1 8 8 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5697 1 56 . 1 1 9 9 GLY N N 15 114.20 0.05 . 1 . . . . . . . . 5697 1 57 . 1 1 9 9 GLY H H 1 8.58 0.02 . 1 . . . . . . . . 5697 1 58 . 1 1 9 9 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5697 1 59 . 1 1 9 9 GLY HA3 H 1 3.64 0.02 . 2 . . . . . . . . 5697 1 60 . 1 1 10 10 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5697 1 61 . 1 1 11 11 GLY N N 15 107.50 0.05 . 1 . . . . . . . . 5697 1 62 . 1 1 11 11 GLY H H 1 7.97 0.02 . 1 . . . . . . . . 5697 1 63 . 1 1 11 11 GLY HA2 H 1 2.20 0.02 . 2 . . . . . . . . 5697 1 64 . 1 1 11 11 GLY HA3 H 1 2.09 0.02 . 2 . . . . . . . . 5697 1 65 . 1 1 13 13 TRP N N 15 119.30 0.05 . 1 . . . . . . . . 5697 1 66 . 1 1 13 13 TRP H H 1 8.10 0.02 . 1 . . . . . . . . 5697 1 67 . 1 1 13 13 TRP NE1 N 15 127.80 0.05 . 1 . . . . . . . . 5697 1 68 . 1 1 13 13 TRP HE1 H 1 9.76 0.02 . 1 . . . . . . . . 5697 1 69 . 1 1 14 14 GLY N N 15 102.50 0.05 . 1 . . . . . . . . 5697 1 70 . 1 1 14 14 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5697 1 71 . 1 1 15 15 PHE N N 15 112.20 0.05 . 1 . . . . . . . . 5697 1 72 . 1 1 15 15 PHE H H 1 6.87 0.02 . 1 . . . . . . . . 5697 1 73 . 1 1 16 16 ARG N N 15 119.90 0.05 . 1 . . . . . . . . 5697 1 74 . 1 1 16 16 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 5697 1 75 . 1 1 17 17 LEU N N 15 125.00 0.05 . 1 . . . . . . . . 5697 1 76 . 1 1 17 17 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 5697 1 77 . 1 1 17 17 LEU HA H 1 5.23 0.02 . 1 . . . . . . . . 5697 1 78 . 1 1 18 18 GLN N N 15 123.20 0.05 . 1 . . . . . . . . 5697 1 79 . 1 1 18 18 GLN H H 1 9.26 0.02 . 1 . . . . . . . . 5697 1 80 . 1 1 18 18 GLN HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5697 1 81 . 1 1 18 18 GLN HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5697 1 82 . 1 1 18 18 GLN HG2 H 1 2.17 0.02 . 1 . . . . . . . . 5697 1 83 . 1 1 18 18 GLN HG3 H 1 2.17 0.02 . 1 . . . . . . . . 5697 1 84 . 1 1 19 19 GLY N N 15 108.30 0.05 . 1 . . . . . . . . 5697 1 85 . 1 1 19 19 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5697 1 86 . 1 1 19 19 GLY HA2 H 1 4.57 0.02 . 2 . . . . . . . . 5697 1 87 . 1 1 19 19 GLY HA3 H 1 3.40 0.02 . 2 . . . . . . . . 5697 1 88 . 1 1 20 20 GLY N N 15 104.50 0.05 . 1 . . . . . . . . 5697 1 89 . 1 1 20 20 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 5697 1 90 . 1 1 20 20 GLY HA2 H 1 4.85 0.02 . 2 . . . . . . . . 5697 1 91 . 1 1 20 20 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5697 1 92 . 1 1 21 21 LYS N N 15 122.90 0.05 . 1 . . . . . . . . 5697 1 93 . 1 1 21 21 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 5697 1 94 . 1 1 21 21 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5697 1 95 . 1 1 21 21 LYS HB2 H 1 1.36 0.02 . 2 . . . . . . . . 5697 1 96 . 1 1 21 21 LYS HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5697 1 97 . 1 1 21 21 LYS HG2 H 1 1.30 0.02 . 1 . . . . . . . . 5697 1 98 . 1 1 21 21 LYS HG3 H 1 1.30 0.02 . 1 . . . . . . . . 5697 1 99 . 1 1 21 21 LYS HD2 H 1 1.69 0.02 . 2 . . . . . . . . 5697 1 100 . 1 1 21 21 LYS HD3 H 1 1.43 0.02 . 2 . . . . . . . . 5697 1 101 . 1 1 22 22 ASP N N 15 113.80 0.05 . 1 . . . . . . . . 5697 1 102 . 1 1 22 22 ASP H H 1 10.77 0.02 . 1 . . . . . . . . 5697 1 103 . 1 1 22 22 ASP HA H 1 4.18 0.02 . 1 . . . . . . . . 5697 1 104 . 1 1 22 22 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5697 1 105 . 1 1 22 22 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 5697 1 106 . 1 1 23 23 PHE N N 15 117.70 0.05 . 1 . . . . . . . . 5697 1 107 . 1 1 23 23 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 5697 1 108 . 1 1 23 23 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 5697 1 109 . 1 1 23 23 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 5697 1 110 . 1 1 23 23 PHE HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5697 1 111 . 1 1 24 24 ASN N N 15 115.90 0.05 . 1 . . . . . . . . 5697 1 112 . 1 1 24 24 ASN H H 1 7.99 0.02 . 1 . . . . . . . . 5697 1 113 . 1 1 24 24 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 114 . 1 1 24 24 ASN HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5697 1 115 . 1 1 24 24 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5697 1 116 . 1 1 25 25 MET N N 15 114.20 0.05 . 1 . . . . . . . . 5697 1 117 . 1 1 25 25 MET H H 1 7.35 0.02 . 1 . . . . . . . . 5697 1 118 . 1 1 25 25 MET HA H 1 4.96 0.02 . 1 . . . . . . . . 5697 1 119 . 1 1 25 25 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5697 1 120 . 1 1 25 25 MET HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5697 1 121 . 1 1 25 25 MET HG2 H 1 2.61 0.02 . 1 . . . . . . . . 5697 1 122 . 1 1 25 25 MET HG3 H 1 2.61 0.02 . 1 . . . . . . . . 5697 1 123 . 1 1 26 26 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 5697 1 124 . 1 1 26 26 PRO HB2 H 1 2.22 0.02 . 2 . . . . . . . . 5697 1 125 . 1 1 27 27 LEU N N 15 123.50 0.05 . 1 . . . . . . . . 5697 1 126 . 1 1 27 27 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 5697 1 127 . 1 1 27 27 LEU HA H 1 4.85 0.02 . 1 . . . . . . . . 5697 1 128 . 1 1 27 27 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5697 1 129 . 1 1 27 27 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 5697 1 130 . 1 1 27 27 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 5697 1 131 . 1 1 27 27 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 132 . 1 1 27 27 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 133 . 1 1 27 27 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5697 1 134 . 1 1 27 27 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 135 . 1 1 27 27 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 136 . 1 1 27 27 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 5697 1 137 . 1 1 28 28 THR N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 138 . 1 1 28 28 THR H H 1 9.22 0.02 . 1 . . . . . . . . 5697 1 139 . 1 1 28 28 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 5697 1 140 . 1 1 28 28 THR HB H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 141 . 1 1 28 28 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 142 . 1 1 28 28 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 143 . 1 1 28 28 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5697 1 144 . 1 1 29 29 ILE N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 145 . 1 1 29 29 ILE H H 1 8.32 0.02 . 1 . . . . . . . . 5697 1 146 . 1 1 29 29 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 147 . 1 1 29 29 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 148 . 1 1 29 29 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5697 1 149 . 1 1 30 30 SER N N 15 125.50 0.05 . 1 . . . . . . . . 5697 1 150 . 1 1 30 30 SER H H 1 9.15 0.02 . 1 . . . . . . . . 5697 1 151 . 1 1 30 30 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 5697 1 152 . 1 1 30 30 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 5697 1 153 . 1 1 30 30 SER HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5697 1 154 . 1 1 31 31 ARG N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 155 . 1 1 31 31 ARG H H 1 7.42 0.02 . 1 . . . . . . . . 5697 1 156 . 1 1 31 31 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5697 1 157 . 1 1 31 31 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5697 1 158 . 1 1 31 31 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5697 1 159 . 1 1 31 31 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5697 1 160 . 1 1 31 31 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5697 1 161 . 1 1 32 32 ILE N N 15 124.60 0.05 . 1 . . . . . . . . 5697 1 162 . 1 1 32 32 ILE H H 1 8.68 0.02 . 1 . . . . . . . . 5697 1 163 . 1 1 32 32 ILE HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 164 . 1 1 32 32 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 165 . 1 1 32 32 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 166 . 1 1 32 32 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5697 1 167 . 1 1 33 33 THR N N 15 127.90 0.05 . 1 . . . . . . . . 5697 1 168 . 1 1 33 33 THR H H 1 9.19 0.02 . 1 . . . . . . . . 5697 1 169 . 1 1 33 33 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 5697 1 170 . 1 1 33 33 THR HB H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 171 . 1 1 33 33 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 172 . 1 1 33 33 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 173 . 1 1 33 33 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 174 . 1 1 35 35 GLY N N 15 111.00 0.05 . 1 . . . . . . . . 5697 1 175 . 1 1 35 35 GLY H H 1 8.86 0.02 . 1 . . . . . . . . 5697 1 176 . 1 1 35 35 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 5697 1 177 . 1 1 35 35 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5697 1 178 . 1 1 36 36 SER N N 15 114.40 0.05 . 1 . . . . . . . . 5697 1 179 . 1 1 36 36 SER H H 1 7.41 0.02 . 1 . . . . . . . . 5697 1 180 . 1 1 36 36 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5697 1 181 . 1 1 36 36 SER HB2 H 1 3.75 0.02 . 1 . . . . . . . . 5697 1 182 . 1 1 36 36 SER HB3 H 1 3.75 0.02 . 1 . . . . . . . . 5697 1 183 . 1 1 37 37 LYS N N 15 120.40 0.05 . 1 . . . . . . . . 5697 1 184 . 1 1 37 37 LYS H H 1 9.02 0.02 . 1 . . . . . . . . 5697 1 185 . 1 1 37 37 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5697 1 186 . 1 1 37 37 LYS HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5697 1 187 . 1 1 37 37 LYS HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5697 1 188 . 1 1 37 37 LYS HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5697 1 189 . 1 1 37 37 LYS HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5697 1 190 . 1 1 37 37 LYS HD2 H 1 2.03 0.02 . 1 . . . . . . . . 5697 1 191 . 1 1 37 37 LYS HD3 H 1 2.03 0.02 . 1 . . . . . . . . 5697 1 192 . 1 1 38 38 ALA N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 193 . 1 1 38 38 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 5697 1 194 . 1 1 39 39 ALA N N 15 121.00 0.05 . 1 . . . . . . . . 5697 1 195 . 1 1 39 39 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 5697 1 196 . 1 1 39 39 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5697 1 197 . 1 1 39 39 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 198 . 1 1 39 39 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 199 . 1 1 39 39 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5697 1 200 . 1 1 40 40 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 201 . 1 1 40 40 GLN H H 1 7.63 0.02 . 1 . . . . . . . . 5697 1 202 . 1 1 40 40 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 5697 1 203 . 1 1 40 40 GLN HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5697 1 204 . 1 1 40 40 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5697 1 205 . 1 1 40 40 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5697 1 206 . 1 1 40 40 GLN HG3 H 1 2.36 0.02 . 2 . . . . . . . . 5697 1 207 . 1 1 41 41 SER N N 15 115.40 0.05 . 1 . . . . . . . . 5697 1 208 . 1 1 41 41 SER H H 1 7.59 0.02 . 1 . . . . . . . . 5697 1 209 . 1 1 41 41 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 210 . 1 1 41 41 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 211 . 1 1 41 41 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 5697 1 212 . 1 1 42 42 GLN N N 15 113.80 0.05 . 1 . . . . . . . . 5697 1 213 . 1 1 42 42 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 5697 1 214 . 1 1 42 42 GLN HA H 1 3.98 0.02 . 1 . . . . . . . . 5697 1 215 . 1 1 42 42 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5697 1 216 . 1 1 42 42 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5697 1 217 . 1 1 42 42 GLN HG2 H 1 2.17 0.02 . 2 . . . . . . . . 5697 1 218 . 1 1 42 42 GLN HG3 H 1 2.13 0.02 . 2 . . . . . . . . 5697 1 219 . 1 1 43 43 LEU N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 220 . 1 1 43 43 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 5697 1 221 . 1 1 43 43 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 5697 1 222 . 1 1 43 43 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 5697 1 223 . 1 1 43 43 LEU HB3 H 1 1.06 0.02 . 2 . . . . . . . . 5697 1 224 . 1 1 43 43 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 225 . 1 1 43 43 LEU HD11 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 226 . 1 1 43 43 LEU HD12 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 227 . 1 1 43 43 LEU HD13 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 228 . 1 1 43 43 LEU HD21 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 229 . 1 1 43 43 LEU HD22 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 230 . 1 1 43 43 LEU HD23 H 1 0.47 0.02 . 2 . . . . . . . . 5697 1 231 . 1 1 44 44 SER N N 15 113.60 0.05 . 1 . . . . . . . . 5697 1 232 . 1 1 44 44 SER H H 1 7.16 0.02 . 1 . . . . . . . . 5697 1 233 . 1 1 44 44 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 5697 1 234 . 1 1 44 44 SER HB2 H 1 3.58 0.02 . 1 . . . . . . . . 5697 1 235 . 1 1 44 44 SER HB3 H 1 3.58 0.02 . 1 . . . . . . . . 5697 1 236 . 1 1 45 45 GLN N N 15 124.50 0.05 . 1 . . . . . . . . 5697 1 237 . 1 1 45 45 GLN H H 1 8.69 0.02 . 1 . . . . . . . . 5697 1 238 . 1 1 45 45 GLN HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5697 1 239 . 1 1 45 45 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5697 1 240 . 1 1 45 45 GLN HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5697 1 241 . 1 1 45 45 GLN HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5697 1 242 . 1 1 46 46 GLY N N 15 115.40 0.05 . 1 . . . . . . . . 5697 1 243 . 1 1 46 46 GLY H H 1 9.43 0.02 . 1 . . . . . . . . 5697 1 244 . 1 1 46 46 GLY HA2 H 1 4.34 0.02 . 2 . . . . . . . . 5697 1 245 . 1 1 46 46 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5697 1 246 . 1 1 47 47 ASP N N 15 121.40 0.05 . 1 . . . . . . . . 5697 1 247 . 1 1 47 47 ASP H H 1 7.53 0.02 . 1 . . . . . . . . 5697 1 248 . 1 1 47 47 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5697 1 249 . 1 1 47 47 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5697 1 250 . 1 1 47 47 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5697 1 251 . 1 1 48 48 LEU N N 15 120.50 0.05 . 1 . . . . . . . . 5697 1 252 . 1 1 48 48 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5697 1 253 . 1 1 48 48 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 5697 1 254 . 1 1 48 48 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5697 1 255 . 1 1 48 48 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5697 1 256 . 1 1 48 48 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5697 1 257 . 1 1 48 48 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 258 . 1 1 48 48 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 259 . 1 1 48 48 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 260 . 1 1 48 48 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 261 . 1 1 48 48 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 262 . 1 1 48 48 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 5697 1 263 . 1 1 49 49 VAL N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 264 . 1 1 49 49 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 5697 1 265 . 1 1 49 49 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 5697 1 266 . 1 1 49 49 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 5697 1 267 . 1 1 49 49 VAL HG11 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 268 . 1 1 49 49 VAL HG12 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 269 . 1 1 49 49 VAL HG13 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 270 . 1 1 49 49 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 271 . 1 1 49 49 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 272 . 1 1 49 49 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5697 1 273 . 1 1 50 50 VAL N N 15 126.00 0.05 . 1 . . . . . . . . 5697 1 274 . 1 1 50 50 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5697 1 275 . 1 1 50 50 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 5697 1 276 . 1 1 50 50 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5697 1 277 . 1 1 50 50 VAL HG11 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 278 . 1 1 50 50 VAL HG12 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 279 . 1 1 50 50 VAL HG13 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 280 . 1 1 50 50 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 281 . 1 1 50 50 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 282 . 1 1 50 50 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 5697 1 283 . 1 1 51 51 ALA N N 15 121.40 0.05 . 1 . . . . . . . . 5697 1 284 . 1 1 51 51 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 5697 1 285 . 1 1 51 51 ALA HA H 1 5.11 0.02 . 1 . . . . . . . . 5697 1 286 . 1 1 51 51 ALA HB1 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 287 . 1 1 51 51 ALA HB2 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 288 . 1 1 51 51 ALA HB3 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 289 . 1 1 52 52 ILE N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 290 . 1 1 52 52 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 5697 1 291 . 1 1 52 52 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 5697 1 292 . 1 1 52 52 ILE HB H 1 1.20 0.02 . 1 . . . . . . . . 5697 1 293 . 1 1 52 52 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 294 . 1 1 52 52 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 295 . 1 1 52 52 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . 5697 1 296 . 1 1 52 52 ILE HG12 H 1 0.53 0.02 . 1 . . . . . . . . 5697 1 297 . 1 1 52 52 ILE HG13 H 1 0.53 0.02 . 1 . . . . . . . . 5697 1 298 . 1 1 52 52 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 299 . 1 1 52 52 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 300 . 1 1 52 52 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5697 1 301 . 1 1 53 53 ASP N N 15 129.50 0.05 . 1 . . . . . . . . 5697 1 302 . 1 1 53 53 ASP H H 1 9.69 0.02 . 1 . . . . . . . . 5697 1 303 . 1 1 53 53 ASP HA H 1 4.21 0.02 . 1 . . . . . . . . 5697 1 304 . 1 1 53 53 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5697 1 305 . 1 1 54 54 GLY N N 15 101.50 0.05 . 1 . . . . . . . . 5697 1 306 . 1 1 54 54 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5697 1 307 . 1 1 54 54 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5697 1 308 . 1 1 54 54 GLY HA3 H 1 3.39 0.02 . 2 . . . . . . . . 5697 1 309 . 1 1 55 55 VAL N N 15 123.50 0.05 . 1 . . . . . . . . 5697 1 310 . 1 1 55 55 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 5697 1 311 . 1 1 55 55 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5697 1 312 . 1 1 55 55 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 5697 1 313 . 1 1 55 55 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 314 . 1 1 55 55 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 315 . 1 1 55 55 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 316 . 1 1 55 55 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 317 . 1 1 55 55 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 318 . 1 1 55 55 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 319 . 1 1 56 56 ASN N N 15 126.60 0.05 . 1 . . . . . . . . 5697 1 320 . 1 1 56 56 ASN H H 1 8.67 0.02 . 1 . . . . . . . . 5697 1 321 . 1 1 56 56 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 5697 1 322 . 1 1 56 56 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5697 1 323 . 1 1 56 56 ASN HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5697 1 324 . 1 1 57 57 THR N N 15 112.30 0.05 . 1 . . . . . . . . 5697 1 325 . 1 1 57 57 THR H H 1 8.05 0.02 . 1 . . . . . . . . 5697 1 326 . 1 1 57 57 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 5697 1 327 . 1 1 57 57 THR HB H 1 4.52 0.02 . 1 . . . . . . . . 5697 1 328 . 1 1 57 57 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 329 . 1 1 57 57 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 330 . 1 1 57 57 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 331 . 1 1 58 58 ASP N N 15 123.10 0.05 . 1 . . . . . . . . 5697 1 332 . 1 1 58 58 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5697 1 333 . 1 1 58 58 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 5697 1 334 . 1 1 58 58 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5697 1 335 . 1 1 58 58 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5697 1 336 . 1 1 59 59 THR N N 15 106.10 0.05 . 1 . . . . . . . . 5697 1 337 . 1 1 59 59 THR H H 1 7.67 0.02 . 1 . . . . . . . . 5697 1 338 . 1 1 59 59 THR HA H 1 4.31 0.02 . 1 . . . . . . . . 5697 1 339 . 1 1 59 59 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5697 1 340 . 1 1 59 59 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 341 . 1 1 59 59 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 342 . 1 1 59 59 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5697 1 343 . 1 1 60 60 MET N N 15 121.50 0.05 . 1 . . . . . . . . 5697 1 344 . 1 1 60 60 MET H H 1 7.80 0.02 . 1 . . . . . . . . 5697 1 345 . 1 1 60 60 MET HA H 1 4.67 0.02 . 1 . . . . . . . . 5697 1 346 . 1 1 60 60 MET HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5697 1 347 . 1 1 60 60 MET HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5697 1 348 . 1 1 60 60 MET HG2 H 1 2.54 0.02 . 1 . . . . . . . . 5697 1 349 . 1 1 60 60 MET HG3 H 1 2.54 0.02 . 1 . . . . . . . . 5697 1 350 . 1 1 61 61 THR N N 15 113.50 0.05 . 1 . . . . . . . . 5697 1 351 . 1 1 61 61 THR H H 1 8.62 0.02 . 1 . . . . . . . . 5697 1 352 . 1 1 61 61 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 5697 1 353 . 1 1 61 61 THR HB H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 354 . 1 1 61 61 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 355 . 1 1 61 61 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 356 . 1 1 61 61 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5697 1 357 . 1 1 62 62 HIS N N 15 122.80 0.05 . 1 . . . . . . . . 5697 1 358 . 1 1 62 62 HIS H H 1 10.32 0.02 . 1 . . . . . . . . 5697 1 359 . 1 1 62 62 HIS HA H 1 3.99 0.02 . 1 . . . . . . . . 5697 1 360 . 1 1 62 62 HIS HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5697 1 361 . 1 1 62 62 HIS HB3 H 1 3.44 0.02 . 2 . . . . . . . . 5697 1 362 . 1 1 63 63 LEU N N 15 117.30 0.05 . 1 . . . . . . . . 5697 1 363 . 1 1 63 63 LEU H H 1 9.03 0.02 . 1 . . . . . . . . 5697 1 364 . 1 1 63 63 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 5697 1 365 . 1 1 63 63 LEU HB2 H 1 1.61 0.02 . 1 . . . . . . . . 5697 1 366 . 1 1 63 63 LEU HB3 H 1 1.61 0.02 . 1 . . . . . . . . 5697 1 367 . 1 1 63 63 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 368 . 1 1 63 63 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 369 . 1 1 63 63 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 370 . 1 1 63 63 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5697 1 371 . 1 1 63 63 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 372 . 1 1 63 63 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 373 . 1 1 63 63 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5697 1 374 . 1 1 64 64 GLU N N 15 118.60 0.05 . 1 . . . . . . . . 5697 1 375 . 1 1 64 64 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 5697 1 376 . 1 1 64 64 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 5697 1 377 . 1 1 64 64 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5697 1 378 . 1 1 64 64 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5697 1 379 . 1 1 64 64 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5697 1 380 . 1 1 64 64 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5697 1 381 . 1 1 65 65 ALA N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 382 . 1 1 65 65 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 5697 1 383 . 1 1 65 65 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 5697 1 384 . 1 1 65 65 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 385 . 1 1 65 65 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 386 . 1 1 65 65 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5697 1 387 . 1 1 66 66 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 388 . 1 1 66 66 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 5697 1 389 . 1 1 66 66 GLN HA H 1 3.94 0.02 . 1 . . . . . . . . 5697 1 390 . 1 1 66 66 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5697 1 391 . 1 1 66 66 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5697 1 392 . 1 1 67 67 ASN N N 15 117.40 0.05 . 1 . . . . . . . . 5697 1 393 . 1 1 67 67 ASN H H 1 8.68 0.02 . 1 . . . . . . . . 5697 1 394 . 1 1 67 67 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 395 . 1 1 67 67 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5697 1 396 . 1 1 67 67 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5697 1 397 . 1 1 68 68 LYS N N 15 122.30 0.05 . 1 . . . . . . . . 5697 1 398 . 1 1 68 68 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5697 1 399 . 1 1 68 68 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5697 1 400 . 1 1 68 68 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5697 1 401 . 1 1 68 68 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5697 1 402 . 1 1 68 68 LYS HG2 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 403 . 1 1 68 68 LYS HG3 H 1 1.26 0.02 . 1 . . . . . . . . 5697 1 404 . 1 1 68 68 LYS HD2 H 1 1.40 0.02 . 1 . . . . . . . . 5697 1 405 . 1 1 68 68 LYS HD3 H 1 1.40 0.02 . 1 . . . . . . . . 5697 1 406 . 1 1 69 69 ILE N N 15 118.90 0.05 . 1 . . . . . . . . 5697 1 407 . 1 1 69 69 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 5697 1 408 . 1 1 69 69 ILE HA H 1 3.68 0.02 . 1 . . . . . . . . 5697 1 409 . 1 1 69 69 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 5697 1 410 . 1 1 69 69 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 411 . 1 1 69 69 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 412 . 1 1 69 69 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5697 1 413 . 1 1 69 69 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 414 . 1 1 69 69 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 415 . 1 1 69 69 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 5697 1 416 . 1 1 70 70 LYS N N 15 119.80 0.05 . 1 . . . . . . . . 5697 1 417 . 1 1 70 70 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5697 1 418 . 1 1 70 70 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5697 1 419 . 1 1 70 70 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5697 1 420 . 1 1 70 70 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5697 1 421 . 1 1 71 71 SER N N 15 112.00 0.05 . 1 . . . . . . . . 5697 1 422 . 1 1 71 71 SER H H 1 7.68 0.02 . 1 . . . . . . . . 5697 1 423 . 1 1 71 71 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 5697 1 424 . 1 1 71 71 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 5697 1 425 . 1 1 71 71 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 5697 1 426 . 1 1 72 72 ALA N N 15 126.40 0.05 . 1 . . . . . . . . 5697 1 427 . 1 1 72 72 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 5697 1 428 . 1 1 72 72 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 5697 1 429 . 1 1 72 72 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 430 . 1 1 72 72 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 431 . 1 1 72 72 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5697 1 432 . 1 1 73 73 SER N N 15 117.70 0.05 . 1 . . . . . . . . 5697 1 433 . 1 1 73 73 SER H H 1 8.59 0.02 . 1 . . . . . . . . 5697 1 434 . 1 1 73 73 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 5697 1 435 . 1 1 73 73 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 5697 1 436 . 1 1 73 73 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 5697 1 437 . 1 1 74 74 TYR N N 15 120.20 0.05 . 1 . . . . . . . . 5697 1 438 . 1 1 74 74 TYR H H 1 8.30 0.02 . 1 . . . . . . . . 5697 1 439 . 1 1 74 74 TYR HB2 H 1 3.03 0.02 . 1 . . . . . . . . 5697 1 440 . 1 1 74 74 TYR HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5697 1 441 . 1 1 75 75 ASN N N 15 116.50 0.05 . 1 . . . . . . . . 5697 1 442 . 1 1 75 75 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 5697 1 443 . 1 1 75 75 ASN HA H 1 5.14 0.02 . 1 . . . . . . . . 5697 1 444 . 1 1 75 75 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5697 1 445 . 1 1 75 75 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5697 1 446 . 1 1 76 76 LEU N N 15 121.80 0.05 . 1 . . . . . . . . 5697 1 447 . 1 1 76 76 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 5697 1 448 . 1 1 76 76 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 5697 1 449 . 1 1 76 76 LEU HB2 H 1 0.55 0.02 . 2 . . . . . . . . 5697 1 450 . 1 1 76 76 LEU HB3 H 1 0.49 0.02 . 2 . . . . . . . . 5697 1 451 . 1 1 76 76 LEU HG H 1 0.84 0.02 . 1 . . . . . . . . 5697 1 452 . 1 1 76 76 LEU HD11 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 453 . 1 1 76 76 LEU HD12 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 454 . 1 1 76 76 LEU HD13 H 1 0.65 0.02 . 2 . . . . . . . . 5697 1 455 . 1 1 77 77 SER N N 15 122.90 0.05 . 1 . . . . . . . . 5697 1 456 . 1 1 77 77 SER H H 1 8.89 0.02 . 1 . . . . . . . . 5697 1 457 . 1 1 77 77 SER HA H 1 5.35 0.02 . 1 . . . . . . . . 5697 1 458 . 1 1 77 77 SER HB2 H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 459 . 1 1 77 77 SER HB3 H 1 3.70 0.02 . 1 . . . . . . . . 5697 1 460 . 1 1 78 78 LEU N N 15 124.80 0.05 . 1 . . . . . . . . 5697 1 461 . 1 1 78 78 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 5697 1 462 . 1 1 78 78 LEU HA H 1 4.94 0.02 . 1 . . . . . . . . 5697 1 463 . 1 1 78 78 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5697 1 464 . 1 1 78 78 LEU HB3 H 1 1.05 0.02 . 2 . . . . . . . . 5697 1 465 . 1 1 78 78 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5697 1 466 . 1 1 78 78 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 467 . 1 1 78 78 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 468 . 1 1 78 78 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5697 1 469 . 1 1 79 79 THR N N 15 118.70 0.05 . 1 . . . . . . . . 5697 1 470 . 1 1 79 79 THR H H 1 8.41 0.02 . 1 . . . . . . . . 5697 1 471 . 1 1 79 79 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 5697 1 472 . 1 1 79 79 THR HB H 1 3.63 0.02 . 1 . . . . . . . . 5697 1 473 . 1 1 79 79 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 474 . 1 1 79 79 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 475 . 1 1 79 79 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5697 1 476 . 1 1 80 80 LEU N N 15 128.80 0.05 . 1 . . . . . . . . 5697 1 477 . 1 1 80 80 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 5697 1 478 . 1 1 80 80 LEU HA H 1 5.54 0.02 . 1 . . . . . . . . 5697 1 479 . 1 1 80 80 LEU HB2 H 1 1.17 0.02 . 1 . . . . . . . . 5697 1 480 . 1 1 80 80 LEU HB3 H 1 1.17 0.02 . 1 . . . . . . . . 5697 1 481 . 1 1 80 80 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 5697 1 482 . 1 1 80 80 LEU HD11 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 483 . 1 1 80 80 LEU HD12 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 484 . 1 1 80 80 LEU HD13 H 1 0.52 0.02 . 2 . . . . . . . . 5697 1 485 . 1 1 80 80 LEU HD21 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 486 . 1 1 80 80 LEU HD22 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 487 . 1 1 80 80 LEU HD23 H 1 0.46 0.02 . 2 . . . . . . . . 5697 1 488 . 1 1 81 81 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 5697 1 489 . 1 1 81 81 GLN H H 1 8.66 0.02 . 1 . . . . . . . . 5697 1 490 . 1 1 81 81 GLN HA H 1 4.86 0.02 . 1 . . . . . . . . 5697 1 491 . 1 1 81 81 GLN HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5697 1 492 . 1 1 81 81 GLN HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5697 1 493 . 1 1 82 82 LYS N N 15 123.30 0.05 . 1 . . . . . . . . 5697 1 494 . 1 1 82 82 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 5697 1 495 . 1 1 82 82 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 5697 1 496 . 1 1 82 82 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5697 1 497 . 1 1 82 82 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5697 1 498 . 1 1 82 82 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 499 . 1 1 82 82 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 5697 1 500 . 1 1 82 82 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5697 1 501 . 1 1 82 82 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5697 1 502 . 1 1 83 83 SER N N 15 117.80 0.05 . 1 . . . . . . . . 5697 1 503 . 1 1 83 83 SER H H 1 8.52 0.02 . 1 . . . . . . . . 5697 1 504 . 1 1 83 83 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5697 1 505 . 1 1 83 83 SER HB2 H 1 3.81 0.02 . 1 . . . . . . . . 5697 1 506 . 1 1 83 83 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 5697 1 507 . 1 1 84 84 LYS N N 15 123.40 0.05 . 1 . . . . . . . . 5697 1 508 . 1 1 84 84 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5697 1 509 . 1 1 84 84 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5697 1 510 . 1 1 84 84 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5697 1 511 . 1 1 84 84 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5697 1 512 . 1 1 85 85 ARG N N 15 128.20 0.05 . 1 . . . . . . . . 5697 1 513 . 1 1 85 85 ARG H H 1 7.99 0.02 . 1 . . . . . . . . 5697 1 514 . 1 1 85 85 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 5697 1 515 . 1 1 85 85 ARG HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5697 1 516 . 1 1 85 85 ARG HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5697 1 stop_ save_