################################### # 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4233 _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 . 4233 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 SER HA H 1 4.0206 .02 . 1 . . . . . . . . 4233 1 2 . 1 1 1 1 SER HB2 H 1 3.0297 .02 . 2 . . . . . . . . 4233 1 3 . 1 1 1 1 SER HB3 H 1 4.0247 .02 . 2 . . . . . . . . 4233 1 4 . 1 1 2 2 PRO HA H 1 4.0265 .02 . 1 . . . . . . . . 4233 1 5 . 1 1 2 2 PRO HB2 H 1 2.0203 .02 . 2 . . . . . . . . 4233 1 6 . 1 1 2 2 PRO HB3 H 1 2.0241 .02 . 2 . . . . . . . . 4233 1 7 . 1 1 3 3 THR H H 1 8.0251 .02 . 1 . . . . . . . . 4233 1 8 . 1 1 3 3 THR HA H 1 4.0242 .02 . 1 . . . . . . . . 4233 1 9 . 1 1 3 3 THR HB H 1 4.0227 .02 . 1 . . . . . . . . 4233 1 10 . 1 1 3 3 THR HG21 H 1 1.0229 .02 . 1 . . . . . . . . 4233 1 11 . 1 1 3 3 THR HG22 H 1 1.0229 .02 . 1 . . . . . . . . 4233 1 12 . 1 1 3 3 THR HG23 H 1 1.0229 .02 . 1 . . . . . . . . 4233 1 13 . 1 1 4 4 CYS H H 1 8.0213 .02 . 1 . . . . . . . . 4233 1 14 . 1 1 4 4 CYS HA H 1 4.0288 .02 . 1 . . . . . . . . 4233 1 15 . 1 1 4 4 CYS HB2 H 1 3.0200 .02 . 2 . . . . . . . . 4233 1 16 . 1 1 4 4 CYS HB3 H 1 3.0221 .02 . 2 . . . . . . . . 4233 1 17 . 1 1 5 5 ILE H H 1 9.0219 .02 . 1 . . . . . . . . 4233 1 18 . 1 1 5 5 ILE HA H 1 4.0243 .02 . 1 . . . . . . . . 4233 1 19 . 1 1 5 5 ILE HB H 1 1.0290 .02 . 1 . . . . . . . . 4233 1 20 . 1 1 5 5 ILE HG12 H 1 1.0278 .02 . 2 . . . . . . . . 4233 1 21 . 1 1 5 5 ILE HG13 H 1 1.0278 .02 . 2 . . . . . . . . 4233 1 22 . 1 1 5 5 ILE HG21 H 1 1.0215 .02 . 1 . . . . . . . . 4233 1 23 . 1 1 5 5 ILE HG22 H 1 1.0215 .02 . 1 . . . . . . . . 4233 1 24 . 1 1 5 5 ILE HG23 H 1 1.0215 .02 . 1 . . . . . . . . 4233 1 25 . 1 1 5 5 ILE HD11 H 1 0.0299 .02 . 1 . . . . . . . . 4233 1 26 . 1 1 5 5 ILE HD12 H 1 0.0299 .02 . 1 . . . . . . . . 4233 1 27 . 1 1 5 5 ILE HD13 H 1 0.0299 .02 . 1 . . . . . . . . 4233 1 28 . 1 1 6 6 PRO HA H 1 4.0251 .02 . 1 . . . . . . . . 4233 1 29 . 1 1 6 6 PRO HB2 H 1 2.0243 .02 . 2 . . . . . . . . 4233 1 30 . 1 1 6 6 PRO HB3 H 1 2.0243 .02 . 2 . . . . . . . . 4233 1 31 . 1 1 6 6 PRO HG2 H 1 1.0297 .02 . 2 . . . . . . . . 4233 1 32 . 1 1 6 6 PRO HG3 H 1 2.0205 .02 . 2 . . . . . . . . 4233 1 33 . 1 1 6 6 PRO HD2 H 1 3.0267 .02 . 2 . . . . . . . . 4233 1 34 . 1 1 6 6 PRO HD3 H 1 4.0225 .02 . 2 . . . . . . . . 4233 1 35 . 1 1 7 7 SER H H 1 8.0246 .02 . 1 . . . . . . . . 4233 1 36 . 1 1 7 7 SER HA H 1 3.0248 .02 . 1 . . . . . . . . 4233 1 37 . 1 1 7 7 SER HB2 H 1 3.0268 .02 . 2 . . . . . . . . 4233 1 38 . 1 1 7 7 SER HB3 H 1 3.0268 .02 . 2 . . . . . . . . 4233 1 39 . 1 1 8 8 GLY H H 1 9.0247 .02 . 1 . . . . . . . . 4233 1 40 . 1 1 8 8 GLY HA2 H 1 3.0267 .02 . 2 . . . . . . . . 4233 1 41 . 1 1 8 8 GLY HA3 H 1 4.0241 .02 . 2 . . . . . . . . 4233 1 42 . 1 1 9 9 GLN H H 1 7.0241 .02 . 1 . . . . . . . . 4233 1 43 . 1 1 9 9 GLN HA H 1 4.0278 .02 . 1 . . . . . . . . 4233 1 44 . 1 1 9 9 GLN HB2 H 1 2.0201 .02 . 2 . . . . . . . . 4233 1 45 . 1 1 9 9 GLN HB3 H 1 2.0216 .02 . 2 . . . . . . . . 4233 1 46 . 1 1 9 9 GLN HG2 H 1 2.0224 .02 . 2 . . . . . . . . 4233 1 47 . 1 1 9 9 GLN HG3 H 1 2.0236 .02 . 2 . . . . . . . . 4233 1 48 . 1 1 9 9 GLN HE21 H 1 6.0295 .02 . 2 . . . . . . . . 4233 1 49 . 1 1 9 9 GLN HE22 H 1 7.0268 .02 . 2 . . . . . . . . 4233 1 50 . 1 1 10 10 PRO HA H 1 5.0201 .02 . 1 . . . . . . . . 4233 1 51 . 1 1 10 10 PRO HB2 H 1 1.0283 .02 . 2 . . . . . . . . 4233 1 52 . 1 1 10 10 PRO HB3 H 1 2.0236 .02 . 2 . . . . . . . . 4233 1 53 . 1 1 10 10 PRO HG2 H 1 1.0283 .02 . 2 . . . . . . . . 4233 1 54 . 1 1 10 10 PRO HG3 H 1 2.0217 .02 . 2 . . . . . . . . 4233 1 55 . 1 1 10 10 PRO HD2 H 1 3.0267 .02 . 2 . . . . . . . . 4233 1 56 . 1 1 10 10 PRO HD3 H 1 3.0286 .02 . 2 . . . . . . . . 4233 1 57 . 1 1 11 11 CYS H H 1 7.0277 .02 . 1 . . . . . . . . 4233 1 58 . 1 1 11 11 CYS HA H 1 5.0210 .02 . 1 . . . . . . . . 4233 1 59 . 1 1 11 11 CYS HB2 H 1 2.0271 .02 . 2 . . . . . . . . 4233 1 60 . 1 1 11 11 CYS HB3 H 1 3.0239 .02 . 2 . . . . . . . . 4233 1 61 . 1 1 12 12 PRO HA H 1 4.0244 .02 . 1 . . . . . . . . 4233 1 62 . 1 1 12 12 PRO HB2 H 1 1.0257 .02 . 2 . . . . . . . . 4233 1 63 . 1 1 12 12 PRO HB3 H 1 2.0201 .02 . 2 . . . . . . . . 4233 1 64 . 1 1 12 12 PRO HG2 H 1 1.0286 .02 . 2 . . . . . . . . 4233 1 65 . 1 1 12 12 PRO HG3 H 1 1.0286 .02 . 2 . . . . . . . . 4233 1 66 . 1 1 12 12 PRO HD2 H 1 3.0244 .02 . 2 . . . . . . . . 4233 1 67 . 1 1 12 12 PRO HD3 H 1 3.0272 .02 . 2 . . . . . . . . 4233 1 68 . 1 1 13 13 TYR H H 1 8.0261 .02 . 1 . . . . . . . . 4233 1 69 . 1 1 13 13 TYR HA H 1 4.0276 .02 . 1 . . . . . . . . 4233 1 70 . 1 1 13 13 TYR HB2 H 1 2.0296 .02 . 2 . . . . . . . . 4233 1 71 . 1 1 13 13 TYR HB3 H 1 3.0244 .02 . 2 . . . . . . . . 4233 1 72 . 1 1 13 13 TYR HD1 H 1 7.0216 .02 . 3 . . . . . . . . 4233 1 73 . 1 1 13 13 TYR HD2 H 1 7.0216 .02 . 3 . . . . . . . . 4233 1 74 . 1 1 13 13 TYR HE1 H 1 6.0281 .02 . 3 . . . . . . . . 4233 1 75 . 1 1 13 13 TYR HE2 H 1 6.0281 .02 . 3 . . . . . . . . 4233 1 76 . 1 1 14 14 ASN H H 1 8.0279 .02 . 1 . . . . . . . . 4233 1 77 . 1 1 14 14 ASN HA H 1 4.0212 .02 . 1 . . . . . . . . 4233 1 78 . 1 1 14 14 ASN HB2 H 1 2.0278 .02 . 2 . . . . . . . . 4233 1 79 . 1 1 14 14 ASN HB3 H 1 2.0291 .02 . 2 . . . . . . . . 4233 1 80 . 1 1 14 14 ASN HD21 H 1 6.0293 .02 . 2 . . . . . . . . 4233 1 81 . 1 1 14 14 ASN HD22 H 1 7.0279 .02 . 2 . . . . . . . . 4233 1 82 . 1 1 15 15 GLU H H 1 8.0285 .02 . 1 . . . . . . . . 4233 1 83 . 1 1 15 15 GLU HA H 1 4.0222 .02 . 1 . . . . . . . . 4233 1 84 . 1 1 15 15 GLU HB2 H 1 2.1100 .02 . 2 . . . . . . . . 4233 1 85 . 1 1 15 15 GLU HB3 H 1 2.1100 .02 . 2 . . . . . . . . 4233 1 86 . 1 1 15 15 GLU HG2 H 1 2.0243 .02 . 2 . . . . . . . . 4233 1 87 . 1 1 15 15 GLU HG3 H 1 2.0251 .02 . 2 . . . . . . . . 4233 1 88 . 1 1 16 16 ASN H H 1 7.0262 .02 . 1 . . . . . . . . 4233 1 89 . 1 1 16 16 ASN HA H 1 4.0275 .02 . 1 . . . . . . . . 4233 1 90 . 1 1 16 16 ASN HB2 H 1 2.0248 .02 . 2 . . . . . . . . 4233 1 91 . 1 1 16 16 ASN HB3 H 1 3.0208 .02 . 2 . . . . . . . . 4233 1 92 . 1 1 16 16 ASN HD21 H 1 6.0292 .02 . 2 . . . . . . . . 4233 1 93 . 1 1 16 16 ASN HD22 H 1 7.0254 .02 . 2 . . . . . . . . 4233 1 94 . 1 1 17 17 CYS H H 1 7.0298 .02 . 1 . . . . . . . . 4233 1 95 . 1 1 17 17 CYS HA H 1 5.0205 .02 . 1 . . . . . . . . 4233 1 96 . 1 1 17 17 CYS HB2 H 1 2.0271 .02 . 2 . . . . . . . . 4233 1 97 . 1 1 17 17 CYS HB3 H 1 3.0241 .02 . 2 . . . . . . . . 4233 1 98 . 1 1 18 18 CYS H H 1 9.0275 .02 . 1 . . . . . . . . 4233 1 99 . 1 1 18 18 CYS HA H 1 4.0249 .02 . 1 . . . . . . . . 4233 1 100 . 1 1 18 18 CYS HB2 H 1 2.0298 .02 . 2 . . . . . . . . 4233 1 101 . 1 1 18 18 CYS HB3 H 1 3.0227 .02 . 2 . . . . . . . . 4233 1 102 . 1 1 19 19 SER H H 1 9.0221 .02 . 1 . . . . . . . . 4233 1 103 . 1 1 19 19 SER HA H 1 4.0220 .02 . 1 . . . . . . . . 4233 1 104 . 1 1 19 19 SER HB2 H 1 3.0278 .02 . 2 . . . . . . . . 4233 1 105 . 1 1 19 19 SER HB3 H 1 4.0201 .02 . 2 . . . . . . . . 4233 1 106 . 1 1 20 20 GLN H H 1 7.0274 .02 . 1 . . . . . . . . 4233 1 107 . 1 1 20 20 GLN HA H 1 4.0204 .02 . 1 . . . . . . . . 4233 1 108 . 1 1 20 20 GLN HB2 H 1 2.0232 .02 . 2 . . . . . . . . 4233 1 109 . 1 1 20 20 GLN HB3 H 1 2.0232 .02 . 2 . . . . . . . . 4233 1 110 . 1 1 20 20 GLN HG2 H 1 2.0221 .02 . 2 . . . . . . . . 4233 1 111 . 1 1 20 20 GLN HG3 H 1 2.0232 .02 . 2 . . . . . . . . 4233 1 112 . 1 1 20 20 GLN HE21 H 1 6.0277 .02 . 2 . . . . . . . . 4233 1 113 . 1 1 20 20 GLN HE22 H 1 7.0243 .02 . 2 . . . . . . . . 4233 1 114 . 1 1 21 21 SER H H 1 7.0212 .02 . 1 . . . . . . . . 4233 1 115 . 1 1 21 21 SER HA H 1 4.0249 .02 . 1 . . . . . . . . 4233 1 116 . 1 1 21 21 SER HB2 H 1 3.0240 .02 . 2 . . . . . . . . 4233 1 117 . 1 1 21 21 SER HB3 H 1 3.0271 .02 . 2 . . . . . . . . 4233 1 118 . 1 1 22 22 CYS H H 1 9.0207 .02 . 1 . . . . . . . . 4233 1 119 . 1 1 22 22 CYS HA H 1 4.0295 .02 . 1 . . . . . . . . 4233 1 120 . 1 1 22 22 CYS HB2 H 1 2.0277 .02 . 2 . . . . . . . . 4233 1 121 . 1 1 22 22 CYS HB3 H 1 3.0205 .02 . 2 . . . . . . . . 4233 1 122 . 1 1 23 23 THR H H 1 8.0229 .02 . 1 . . . . . . . . 4233 1 123 . 1 1 23 23 THR HA H 1 4.0273 .02 . 1 . . . . . . . . 4233 1 124 . 1 1 23 23 THR HB H 1 4.0225 .02 . 1 . . . . . . . . 4233 1 125 . 1 1 23 23 THR HG21 H 1 1.0217 .02 . 1 . . . . . . . . 4233 1 126 . 1 1 23 23 THR HG22 H 1 1.0217 .02 . 1 . . . . . . . . 4233 1 127 . 1 1 23 23 THR HG23 H 1 1.0217 .02 . 1 . . . . . . . . 4233 1 128 . 1 1 24 24 PHE H H 1 8.0256 .02 . 1 . . . . . . . . 4233 1 129 . 1 1 24 24 PHE HA H 1 4.0268 .02 . 1 . . . . . . . . 4233 1 130 . 1 1 24 24 PHE HB2 H 1 2.0292 .02 . 2 . . . . . . . . 4233 1 131 . 1 1 24 24 PHE HB3 H 1 2.0292 .02 . 2 . . . . . . . . 4233 1 132 . 1 1 24 24 PHE HD1 H 1 7.0216 .02 . 3 . . . . . . . . 4233 1 133 . 1 1 24 24 PHE HD2 H 1 7.0216 .02 . 3 . . . . . . . . 4233 1 134 . 1 1 24 24 PHE HE1 H 1 7.0232 .02 . 3 . . . . . . . . 4233 1 135 . 1 1 24 24 PHE HE2 H 1 7.0232 .02 . 3 . . . . . . . . 4233 1 136 . 1 1 25 25 LYS H H 1 8.0273 .02 . 1 . . . . . . . . 4233 1 137 . 1 1 25 25 LYS HA H 1 4.0256 .02 . 1 . . . . . . . . 4233 1 138 . 1 1 25 25 LYS HB2 H 1 1.0265 .02 . 2 . . . . . . . . 4233 1 139 . 1 1 25 25 LYS HB3 H 1 1.0284 .02 . 2 . . . . . . . . 4233 1 140 . 1 1 25 25 LYS HG2 H 1 1.0242 .02 . 2 . . . . . . . . 4233 1 141 . 1 1 25 25 LYS HG3 H 1 1.0242 .02 . 2 . . . . . . . . 4233 1 142 . 1 1 25 25 LYS HD2 H 1 1.0265 .02 . 2 . . . . . . . . 4233 1 143 . 1 1 25 25 LYS HD3 H 1 1.0265 .02 . 2 . . . . . . . . 4233 1 144 . 1 1 25 25 LYS HE2 H 1 2.0292 .02 . 2 . . . . . . . . 4233 1 145 . 1 1 25 25 LYS HE3 H 1 2.0292 .02 . 2 . . . . . . . . 4233 1 146 . 1 1 25 25 LYS HZ1 H 1 7.0238 .02 . 1 . . . . . . . . 4233 1 147 . 1 1 25 25 LYS HZ2 H 1 7.0238 .02 . 1 . . . . . . . . 4233 1 148 . 1 1 25 25 LYS HZ3 H 1 7.0238 .02 . 1 . . . . . . . . 4233 1 149 . 1 1 26 26 GLU H H 1 8.0252 .02 . 1 . . . . . . . . 4233 1 150 . 1 1 26 26 GLU HA H 1 4.0254 .02 . 1 . . . . . . . . 4233 1 151 . 1 1 26 26 GLU HB2 H 1 1.0295 .02 . 2 . . . . . . . . 4233 1 152 . 1 1 26 26 GLU HB3 H 1 2.0204 .02 . 2 . . . . . . . . 4233 1 153 . 1 1 26 26 GLU HG2 H 1 2.0235 .02 . 2 . . . . . . . . 4233 1 154 . 1 1 26 26 GLU HG3 H 1 2.0244 .02 . 2 . . . . . . . . 4233 1 155 . 1 1 27 27 ASN H H 1 8.0265 .02 . 1 . . . . . . . . 4233 1 156 . 1 1 27 27 ASN HA H 1 4.0286 .02 . 1 . . . . . . . . 4233 1 157 . 1 1 27 27 ASN HB2 H 1 2.0286 .02 . 2 . . . . . . . . 4233 1 158 . 1 1 27 27 ASN HB3 H 1 3.0203 .02 . 2 . . . . . . . . 4233 1 159 . 1 1 27 27 ASN HD21 H 1 7.0206 .02 . 2 . . . . . . . . 4233 1 160 . 1 1 27 27 ASN HD22 H 1 7.0254 .02 . 2 . . . . . . . . 4233 1 161 . 1 1 28 28 GLU H H 1 8.0268 .02 . 1 . . . . . . . . 4233 1 162 . 1 1 28 28 GLU HA H 1 4.0229 .02 . 1 . . . . . . . . 4233 1 163 . 1 1 28 28 GLU HB2 H 1 2.0202 .02 . 2 . . . . . . . . 4233 1 164 . 1 1 28 28 GLU HB3 H 1 2.0211 .02 . 2 . . . . . . . . 4233 1 165 . 1 1 28 28 GLU HG2 H 1 2.0242 .02 . 2 . . . . . . . . 4233 1 166 . 1 1 28 28 GLU HG3 H 1 2.0242 .02 . 2 . . . . . . . . 4233 1 167 . 1 1 29 29 ASN H H 1 8.0231 .02 . 1 . . . . . . . . 4233 1 168 . 1 1 29 29 ASN HA H 1 4.0268 .02 . 1 . . . . . . . . 4233 1 169 . 1 1 29 29 ASN HB2 H 1 2.0278 .02 . 2 . . . . . . . . 4233 1 170 . 1 1 29 29 ASN HB3 H 1 2.0294 .02 . 2 . . . . . . . . 4233 1 171 . 1 1 29 29 ASN HD21 H 1 6.0290 .02 . 2 . . . . . . . . 4233 1 172 . 1 1 29 29 ASN HD22 H 1 7.0257 .02 . 2 . . . . . . . . 4233 1 173 . 1 1 30 30 GLY H H 1 8.0218 .02 . 1 . . . . . . . . 4233 1 174 . 1 1 30 30 GLY HA2 H 1 3.0281 .02 . 2 . . . . . . . . 4233 1 175 . 1 1 30 30 GLY HA3 H 1 4.0216 .02 . 2 . . . . . . . . 4233 1 176 . 1 1 31 31 ASN H H 1 8.0201 .02 . 1 . . . . . . . . 4233 1 177 . 1 1 31 31 ASN HA H 1 4.0289 .02 . 1 . . . . . . . . 4233 1 178 . 1 1 31 31 ASN HB2 H 1 2.0271 .02 . 2 . . . . . . . . 4233 1 179 . 1 1 31 31 ASN HB3 H 1 2.0279 .02 . 2 . . . . . . . . 4233 1 180 . 1 1 31 31 ASN HD21 H 1 6.0296 .02 . 2 . . . . . . . . 4233 1 181 . 1 1 31 31 ASN HD22 H 1 7.0249 .02 . 2 . . . . . . . . 4233 1 182 . 1 1 32 32 THR H H 1 8.0254 .02 . 1 . . . . . . . . 4233 1 183 . 1 1 32 32 THR HA H 1 4.0265 .02 . 1 . . . . . . . . 4233 1 184 . 1 1 32 32 THR HB H 1 4.0208 .02 . 1 . . . . . . . . 4233 1 185 . 1 1 32 32 THR HG21 H 1 1.0208 .02 . 1 . . . . . . . . 4233 1 186 . 1 1 32 32 THR HG22 H 1 1.0208 .02 . 1 . . . . . . . . 4233 1 187 . 1 1 32 32 THR HG23 H 1 1.0208 .02 . 1 . . . . . . . . 4233 1 188 . 1 1 33 33 VAL H H 1 8.0241 .02 . 1 . . . . . . . . 4233 1 189 . 1 1 33 33 VAL HA H 1 4.0249 .02 . 1 . . . . . . . . 4233 1 190 . 1 1 33 33 VAL HB H 1 2.0211 .02 . 1 . . . . . . . . 4233 1 191 . 1 1 33 33 VAL HG11 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 192 . 1 1 33 33 VAL HG12 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 193 . 1 1 33 33 VAL HG13 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 194 . 1 1 33 33 VAL HG21 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 195 . 1 1 33 33 VAL HG22 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 196 . 1 1 33 33 VAL HG23 H 1 0.0287 .02 . 2 . . . . . . . . 4233 1 197 . 1 1 34 34 LYS H H 1 8.0240 .02 . 1 . . . . . . . . 4233 1 198 . 1 1 34 34 LYS HA H 1 4.0230 .02 . 1 . . . . . . . . 4233 1 199 . 1 1 34 34 LYS HB2 H 1 1.0248 .02 . 2 . . . . . . . . 4233 1 200 . 1 1 34 34 LYS HB3 H 1 1.0257 .02 . 2 . . . . . . . . 4233 1 201 . 1 1 34 34 LYS HG2 H 1 0.0249 .02 . 2 . . . . . . . . 4233 1 202 . 1 1 34 34 LYS HG3 H 1 0.0270 .02 . 2 . . . . . . . . 4233 1 203 . 1 1 34 34 LYS HD2 H 1 1.0223 .02 . 2 . . . . . . . . 4233 1 204 . 1 1 34 34 LYS HD3 H 1 1.0223 .02 . 2 . . . . . . . . 4233 1 205 . 1 1 34 34 LYS HE2 H 1 2.0246 .02 . 2 . . . . . . . . 4233 1 206 . 1 1 34 34 LYS HE3 H 1 2.0253 .02 . 2 . . . . . . . . 4233 1 207 . 1 1 34 34 LYS HZ1 H 1 7.0230 .02 . 1 . . . . . . . . 4233 1 208 . 1 1 34 34 LYS HZ2 H 1 7.0230 .02 . 1 . . . . . . . . 4233 1 209 . 1 1 34 34 LYS HZ3 H 1 7.0230 .02 . 1 . . . . . . . . 4233 1 210 . 1 1 35 35 ARG H H 1 8.0263 .02 . 1 . . . . . . . . 4233 1 211 . 1 1 35 35 ARG HA H 1 5.0200 .02 . 1 . . . . . . . . 4233 1 212 . 1 1 35 35 ARG HB2 H 1 1.0236 .02 . 2 . . . . . . . . 4233 1 213 . 1 1 35 35 ARG HB3 H 1 1.0245 .02 . 2 . . . . . . . . 4233 1 214 . 1 1 35 35 ARG HG2 H 1 1.0218 .02 . 2 . . . . . . . . 4233 1 215 . 1 1 35 35 ARG HG3 H 1 1.0233 .02 . 2 . . . . . . . . 4233 1 216 . 1 1 35 35 ARG HD2 H 1 2.0294 .02 . 2 . . . . . . . . 4233 1 217 . 1 1 35 35 ARG HD3 H 1 3.0208 .02 . 2 . . . . . . . . 4233 1 218 . 1 1 35 35 ARG HE H 1 7.0237 .02 . 1 . . . . . . . . 4233 1 219 . 1 1 36 36 CYS H H 1 8.0267 .02 . 1 . . . . . . . . 4233 1 220 . 1 1 36 36 CYS HA H 1 5.0226 .02 . 1 . . . . . . . . 4233 1 221 . 1 1 36 36 CYS HB2 H 1 2.0287 .02 . 2 . . . . . . . . 4233 1 222 . 1 1 36 36 CYS HB3 H 1 3.0252 .02 . 2 . . . . . . . . 4233 1 223 . 1 1 37 37 ASP H H 1 9.0226 .02 . 1 . . . . . . . . 4233 1 224 . 1 1 37 37 ASP HA H 1 4.0242 .02 . 1 . . . . . . . . 4233 1 225 . 1 1 37 37 ASP HB2 H 1 2.0250 .02 . 2 . . . . . . . . 4233 1 226 . 1 1 37 37 ASP HB3 H 1 2.0283 .02 . 2 . . . . . . . . 4233 1 stop_ save_