################################### # 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_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 1500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 . 1500 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 LYS HA H 1 3.83 . . 1 . . . . . . . . 1500 1 2 . 1 1 1 1 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 1500 1 3 . 1 1 1 1 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 1500 1 4 . 1 1 1 1 LYS HG2 H 1 1.05 . . 1 . . . . . . . . 1500 1 5 . 1 1 1 1 LYS HG3 H 1 1.05 . . 1 . . . . . . . . 1500 1 6 . 1 1 1 1 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 1500 1 7 . 1 1 1 1 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 1500 1 8 . 1 1 1 1 LYS HE2 H 1 2.75 . . 1 . . . . . . . . 1500 1 9 . 1 1 1 1 LYS HE3 H 1 2.75 . . 1 . . . . . . . . 1500 1 10 . 1 1 2 2 THR H H 1 8.14 . . 1 . . . . . . . . 1500 1 11 . 1 1 2 2 THR HA H 1 4.25 . . 1 . . . . . . . . 1500 1 12 . 1 1 2 2 THR HB H 1 3.75 . . 1 . . . . . . . . 1500 1 13 . 1 1 2 2 THR HG21 H 1 .95 . . 1 . . . . . . . . 1500 1 14 . 1 1 2 2 THR HG22 H 1 .95 . . 1 . . . . . . . . 1500 1 15 . 1 1 2 2 THR HG23 H 1 .95 . . 1 . . . . . . . . 1500 1 16 . 1 1 3 3 TYR H H 1 8.8 . . 1 . . . . . . . . 1500 1 17 . 1 1 3 3 TYR HA H 1 4.4 . . 1 . . . . . . . . 1500 1 18 . 1 1 3 3 TYR HB2 H 1 2.75 . . 2 . . . . . . . . 1500 1 19 . 1 1 3 3 TYR HB3 H 1 2.85 . . 2 . . . . . . . . 1500 1 20 . 1 1 3 3 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 1500 1 21 . 1 1 3 3 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 1500 1 22 . 1 1 3 3 TYR HE1 H 1 6.72 . . 1 . . . . . . . . 1500 1 23 . 1 1 3 3 TYR HE2 H 1 6.72 . . 1 . . . . . . . . 1500 1 24 . 1 1 4 4 GLN H H 1 8.46 . . 1 . . . . . . . . 1500 1 25 . 1 1 4 4 GLN HA H 1 4.55 . . 1 . . . . . . . . 1500 1 26 . 1 1 4 4 GLN HB2 H 1 1.85 . . 2 . . . . . . . . 1500 1 27 . 1 1 4 4 GLN HB3 H 1 1.92 . . 2 . . . . . . . . 1500 1 28 . 1 1 4 4 GLN HG2 H 1 2.11 . . 2 . . . . . . . . 1500 1 29 . 1 1 4 4 GLN HG3 H 1 2.28 . . 2 . . . . . . . . 1500 1 30 . 1 1 5 5 CYS H H 1 8.9 . . 1 . . . . . . . . 1500 1 31 . 1 1 5 5 CYS HA H 1 4.15 . . 1 . . . . . . . . 1500 1 32 . 1 1 5 5 CYS HB2 H 1 2.75 . . 2 . . . . . . . . 1500 1 33 . 1 1 5 5 CYS HB3 H 1 3.48 . . 2 . . . . . . . . 1500 1 34 . 1 1 6 6 GLN H H 1 8.82 . . 1 . . . . . . . . 1500 1 35 . 1 1 6 6 GLN HA H 1 4.18 . . 1 . . . . . . . . 1500 1 36 . 1 1 6 6 GLN HB2 H 1 1.58 . . 1 . . . . . . . . 1500 1 37 . 1 1 6 6 GLN HB3 H 1 1.58 . . 1 . . . . . . . . 1500 1 38 . 1 1 6 6 GLN HG2 H 1 1.52 . . 2 . . . . . . . . 1500 1 39 . 1 1 6 6 GLN HG3 H 1 1.7 . . 2 . . . . . . . . 1500 1 40 . 1 1 7 7 TYR H H 1 9.65 . . 1 . . . . . . . . 1500 1 41 . 1 1 7 7 TYR HA H 1 4.5 . . 1 . . . . . . . . 1500 1 42 . 1 1 7 7 TYR HB2 H 1 1.2 . . 2 . . . . . . . . 1500 1 43 . 1 1 7 7 TYR HB3 H 1 2.57 . . 2 . . . . . . . . 1500 1 44 . 1 1 7 7 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 1500 1 45 . 1 1 7 7 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 1500 1 46 . 1 1 7 7 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 1500 1 47 . 1 1 7 7 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 1500 1 48 . 1 1 8 8 CYS H H 1 7.9 . . 1 . . . . . . . . 1500 1 49 . 1 1 8 8 CYS HA H 1 4.93 . . 1 . . . . . . . . 1500 1 50 . 1 1 8 8 CYS HB2 H 1 3.23 . . 2 . . . . . . . . 1500 1 51 . 1 1 8 8 CYS HB3 H 1 3.35 . . 2 . . . . . . . . 1500 1 52 . 1 1 9 9 GLU H H 1 8.46 . . 1 . . . . . . . . 1500 1 53 . 1 1 9 9 GLU HA H 1 4.18 . . 1 . . . . . . . . 1500 1 54 . 1 1 9 9 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 1500 1 55 . 1 1 9 9 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 1500 1 56 . 1 1 9 9 GLU HG2 H 1 2.13 . . 2 . . . . . . . . 1500 1 57 . 1 1 9 9 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 1500 1 58 . 1 1 10 10 TYR H H 1 9.08 . . 1 . . . . . . . . 1500 1 59 . 1 1 10 10 TYR HA H 1 3.93 . . 1 . . . . . . . . 1500 1 60 . 1 1 10 10 TYR HB2 H 1 2.05 . . 2 . . . . . . . . 1500 1 61 . 1 1 10 10 TYR HB3 H 1 2.73 . . 2 . . . . . . . . 1500 1 62 . 1 1 10 10 TYR HD1 H 1 6.42 . . 1 . . . . . . . . 1500 1 63 . 1 1 10 10 TYR HD2 H 1 6.42 . . 1 . . . . . . . . 1500 1 64 . 1 1 10 10 TYR HE1 H 1 6.42 . . 1 . . . . . . . . 1500 1 65 . 1 1 10 10 TYR HE2 H 1 6.42 . . 1 . . . . . . . . 1500 1 66 . 1 1 11 11 ARG H H 1 6.91 . . 1 . . . . . . . . 1500 1 67 . 1 1 11 11 ARG HA H 1 4.92 . . 1 . . . . . . . . 1500 1 68 . 1 1 11 11 ARG HB2 H 1 1.32 . . 2 . . . . . . . . 1500 1 69 . 1 1 11 11 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 1500 1 70 . 1 1 11 11 ARG HG2 H 1 1.48 . . 1 . . . . . . . . 1500 1 71 . 1 1 11 11 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 1500 1 72 . 1 1 11 11 ARG HD2 H 1 3 . . 1 . . . . . . . . 1500 1 73 . 1 1 11 11 ARG HD3 H 1 3 . . 1 . . . . . . . . 1500 1 74 . 1 1 12 12 SER H H 1 8.39 . . 1 . . . . . . . . 1500 1 75 . 1 1 12 12 SER HA H 1 4.45 . . 1 . . . . . . . . 1500 1 76 . 1 1 12 12 SER HB2 H 1 3.43 . . 2 . . . . . . . . 1500 1 77 . 1 1 12 12 SER HB3 H 1 3.88 . . 2 . . . . . . . . 1500 1 78 . 1 1 13 13 ALA H H 1 8.65 . . 1 . . . . . . . . 1500 1 79 . 1 1 13 13 ALA HA H 1 4.9 . . 1 . . . . . . . . 1500 1 80 . 1 1 13 13 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 1500 1 81 . 1 1 13 13 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 1500 1 82 . 1 1 13 13 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 1500 1 83 . 1 1 14 14 ASP H H 1 8.21 . . 1 . . . . . . . . 1500 1 84 . 1 1 14 14 ASP HA H 1 4.88 . . 1 . . . . . . . . 1500 1 85 . 1 1 14 14 ASP HB2 H 1 2.5 . . 2 . . . . . . . . 1500 1 86 . 1 1 14 14 ASP HB3 H 1 2.7 . . 2 . . . . . . . . 1500 1 87 . 1 1 15 15 SER H H 1 8.65 . . 1 . . . . . . . . 1500 1 88 . 1 1 15 15 SER HA H 1 3.25 . . 1 . . . . . . . . 1500 1 89 . 1 1 15 15 SER HB2 H 1 3.04 . . 2 . . . . . . . . 1500 1 90 . 1 1 15 15 SER HB3 H 1 3.4 . . 2 . . . . . . . . 1500 1 91 . 1 1 16 16 SER H H 1 8.33 . . 1 . . . . . . . . 1500 1 92 . 1 1 16 16 SER HA H 1 4.13 . . 1 . . . . . . . . 1500 1 93 . 1 1 16 16 SER HB2 H 1 3.95 . . 1 . . . . . . . . 1500 1 94 . 1 1 16 16 SER HB3 H 1 3.95 . . 1 . . . . . . . . 1500 1 95 . 1 1 17 17 ASN H H 1 8.17 . . 1 . . . . . . . . 1500 1 96 . 1 1 17 17 ASN HA H 1 4.42 . . 1 . . . . . . . . 1500 1 97 . 1 1 17 17 ASN HB2 H 1 3.05 . . 1 . . . . . . . . 1500 1 98 . 1 1 17 17 ASN HB3 H 1 3.05 . . 1 . . . . . . . . 1500 1 99 . 1 1 18 18 LEU H H 1 7.49 . . 1 . . . . . . . . 1500 1 100 . 1 1 18 18 LEU HA H 1 4.32 . . 1 . . . . . . . . 1500 1 101 . 1 1 18 18 LEU HB2 H 1 1.48 . . 2 . . . . . . . . 1500 1 102 . 1 1 18 18 LEU HB3 H 1 2.03 . . 2 . . . . . . . . 1500 1 103 . 1 1 18 18 LEU HG H 1 1.78 . . 1 . . . . . . . . 1500 1 104 . 1 1 18 18 LEU HD11 H 1 .93 . . 2 . . . . . . . . 1500 1 105 . 1 1 18 18 LEU HD12 H 1 .93 . . 2 . . . . . . . . 1500 1 106 . 1 1 18 18 LEU HD13 H 1 .93 . . 2 . . . . . . . . 1500 1 107 . 1 1 18 18 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 1500 1 108 . 1 1 18 18 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 1500 1 109 . 1 1 18 18 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 1500 1 110 . 1 1 19 19 LYS H H 1 7.96 . . 1 . . . . . . . . 1500 1 111 . 1 1 19 19 LYS HA H 1 3.95 . . 1 . . . . . . . . 1500 1 112 . 1 1 19 19 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 1500 1 113 . 1 1 19 19 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 1500 1 114 . 1 1 19 19 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 1500 1 115 . 1 1 19 19 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 1500 1 116 . 1 1 19 19 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 1500 1 117 . 1 1 19 19 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 1500 1 118 . 1 1 19 19 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 1500 1 119 . 1 1 19 19 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 1500 1 120 . 1 1 20 20 THR H H 1 8.1 . . 1 . . . . . . . . 1500 1 121 . 1 1 20 20 THR HA H 1 3.86 . . 1 . . . . . . . . 1500 1 122 . 1 1 20 20 THR HB H 1 4.2 . . 1 . . . . . . . . 1500 1 123 . 1 1 20 20 THR HG21 H 1 1.16 . . 1 . . . . . . . . 1500 1 124 . 1 1 20 20 THR HG22 H 1 1.16 . . 1 . . . . . . . . 1500 1 125 . 1 1 20 20 THR HG23 H 1 1.16 . . 1 . . . . . . . . 1500 1 126 . 1 1 21 21 HIS H H 1 8.26 . . 1 . . . . . . . . 1500 1 127 . 1 1 21 21 HIS HA H 1 3.92 . . 1 . . . . . . . . 1500 1 128 . 1 1 21 21 HIS HB2 H 1 2.6 . . 2 . . . . . . . . 1500 1 129 . 1 1 21 21 HIS HB3 H 1 3.55 . . 2 . . . . . . . . 1500 1 130 . 1 1 21 21 HIS HD2 H 1 7.11 . . 1 . . . . . . . . 1500 1 131 . 1 1 21 21 HIS HE1 H 1 7.47 . . 1 . . . . . . . . 1500 1 132 . 1 1 22 22 ILE H H 1 8.65 . . 1 . . . . . . . . 1500 1 133 . 1 1 22 22 ILE HA H 1 3.48 . . 1 . . . . . . . . 1500 1 134 . 1 1 22 22 ILE HB H 1 1.92 . . 1 . . . . . . . . 1500 1 135 . 1 1 22 22 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 1500 1 136 . 1 1 22 22 ILE HG13 H 1 1.58 . . 2 . . . . . . . . 1500 1 137 . 1 1 22 22 ILE HG21 H 1 1.03 . . 1 . . . . . . . . 1500 1 138 . 1 1 22 22 ILE HG22 H 1 1.03 . . 1 . . . . . . . . 1500 1 139 . 1 1 22 22 ILE HG23 H 1 1.03 . . 1 . . . . . . . . 1500 1 140 . 1 1 22 22 ILE HD11 H 1 1.17 . . 1 . . . . . . . . 1500 1 141 . 1 1 22 22 ILE HD12 H 1 1.17 . . 1 . . . . . . . . 1500 1 142 . 1 1 22 22 ILE HD13 H 1 1.17 . . 1 . . . . . . . . 1500 1 143 . 1 1 23 23 LYS H H 1 7.72 . . 1 . . . . . . . . 1500 1 144 . 1 1 23 23 LYS HA H 1 4 . . 1 . . . . . . . . 1500 1 145 . 1 1 23 23 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 1500 1 146 . 1 1 23 23 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 1500 1 147 . 1 1 23 23 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 1500 1 148 . 1 1 23 23 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 1500 1 149 . 1 1 23 23 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 1500 1 150 . 1 1 23 23 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 1500 1 151 . 1 1 23 23 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 1500 1 152 . 1 1 23 23 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 1500 1 153 . 1 1 24 24 THR H H 1 7.87 . . 1 . . . . . . . . 1500 1 154 . 1 1 24 24 THR HA H 1 3.96 . . 1 . . . . . . . . 1500 1 155 . 1 1 24 24 THR HB H 1 3.96 . . 1 . . . . . . . . 1500 1 156 . 1 1 24 24 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1500 1 157 . 1 1 24 24 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1500 1 158 . 1 1 24 24 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1500 1 159 . 1 1 25 25 LYS H H 1 8.17 . . 1 . . . . . . . . 1500 1 160 . 1 1 25 25 LYS HA H 1 4.06 . . 1 . . . . . . . . 1500 1 161 . 1 1 25 25 LYS HB2 H 1 .48 . . 2 . . . . . . . . 1500 1 162 . 1 1 25 25 LYS HB3 H 1 .67 . . 2 . . . . . . . . 1500 1 163 . 1 1 25 25 LYS HG2 H 1 .67 . . 1 . . . . . . . . 1500 1 164 . 1 1 25 25 LYS HG3 H 1 .67 . . 1 . . . . . . . . 1500 1 165 . 1 1 25 25 LYS HD2 H 1 .93 . . 1 . . . . . . . . 1500 1 166 . 1 1 25 25 LYS HD3 H 1 .93 . . 1 . . . . . . . . 1500 1 167 . 1 1 25 25 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 1500 1 168 . 1 1 25 25 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 1500 1 169 . 1 1 26 26 HIS H H 1 7.37 . . 1 . . . . . . . . 1500 1 170 . 1 1 26 26 HIS HA H 1 5.07 . . 1 . . . . . . . . 1500 1 171 . 1 1 26 26 HIS HB2 H 1 2.65 . . 2 . . . . . . . . 1500 1 172 . 1 1 26 26 HIS HB3 H 1 2.92 . . 2 . . . . . . . . 1500 1 173 . 1 1 26 26 HIS HD2 H 1 6.59 . . 1 . . . . . . . . 1500 1 174 . 1 1 26 26 HIS HE1 H 1 7.82 . . 1 . . . . . . . . 1500 1 175 . 1 1 27 27 SER H H 1 7.64 . . 1 . . . . . . . . 1500 1 176 . 1 1 27 27 SER HA H 1 4.25 . . 1 . . . . . . . . 1500 1 177 . 1 1 27 27 SER HB2 H 1 3.88 . . 1 . . . . . . . . 1500 1 178 . 1 1 27 27 SER HB3 H 1 3.88 . . 1 . . . . . . . . 1500 1 179 . 1 1 28 28 LYS H H 1 8.03 . . 1 . . . . . . . . 1500 1 180 . 1 1 28 28 LYS HA H 1 4.33 . . 1 . . . . . . . . 1500 1 181 . 1 1 28 28 LYS HB2 H 1 1.57 . . 2 . . . . . . . . 1500 1 182 . 1 1 28 28 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 1500 1 183 . 1 1 28 28 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 1500 1 184 . 1 1 28 28 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 1500 1 185 . 1 1 28 28 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 1500 1 186 . 1 1 28 28 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 1500 1 187 . 1 1 28 28 LYS HE2 H 1 2.8 . . 1 . . . . . . . . 1500 1 188 . 1 1 28 28 LYS HE3 H 1 2.8 . . 1 . . . . . . . . 1500 1 189 . 1 1 29 29 GLU H H 1 8.06 . . 1 . . . . . . . . 1500 1 190 . 1 1 29 29 GLU HA H 1 4.15 . . 1 . . . . . . . . 1500 1 191 . 1 1 29 29 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 1500 1 192 . 1 1 29 29 GLU HB3 H 1 2 . . 2 . . . . . . . . 1500 1 193 . 1 1 29 29 GLU HG2 H 1 2.15 . . 2 . . . . . . . . 1500 1 194 . 1 1 29 29 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 1500 1 195 . 1 1 30 30 LYS H H 1 7.8 . . 1 . . . . . . . . 1500 1 196 . 1 1 30 30 LYS HA H 1 4.08 . . 1 . . . . . . . . 1500 1 197 . 1 1 30 30 LYS HB2 H 1 1.65 . . 2 . . . . . . . . 1500 1 198 . 1 1 30 30 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 1500 1 199 . 1 1 30 30 LYS HG2 H 1 1.3 . . 1 . . . . . . . . 1500 1 200 . 1 1 30 30 LYS HG3 H 1 1.3 . . 1 . . . . . . . . 1500 1 201 . 1 1 30 30 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 1500 1 202 . 1 1 30 30 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 1500 1 203 . 1 1 30 30 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 1500 1 204 . 1 1 30 30 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 1500 1 stop_ save_