################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16112 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-1H TOCSY' . . . 16112 1 2 '2D 1H-1H NOESY' . . . 16112 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 PRO HA H 1 4.464 0.02 . 1 . . . . 233 P HA . 16112 1 2 . 1 1 1 1 PRO HB2 H 1 1.842 0.02 . 2 . . . . 233 P HB2 . 16112 1 3 . 1 1 1 1 PRO HB3 H 1 2.432 0.02 . 2 . . . . 233 P HB3 . 16112 1 4 . 1 1 1 1 PRO HD2 H 1 3.362 0.02 . 2 . . . . 233 P HD2 . 16112 1 5 . 1 1 1 1 PRO HD3 H 1 3.389 0.02 . 2 . . . . 233 P HD3 . 16112 1 6 . 1 1 1 1 PRO HG2 H 1 1.945 0.02 . 2 . . . . 233 P HG2 . 16112 1 7 . 1 1 1 1 PRO HG3 H 1 2.047 0.02 . 2 . . . . 233 P HG3 . 16112 1 8 . 1 1 2 2 VAL H H 1 8.892 0.02 . 1 . . . . 234 V H . 16112 1 9 . 1 1 2 2 VAL HA H 1 4.09 0.02 . 1 . . . . 234 V HA . 16112 1 10 . 1 1 2 2 VAL HB H 1 2.06 0.02 . 1 . . . . 234 V HB . 16112 1 11 . 1 1 2 2 VAL HG11 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 12 . 1 1 2 2 VAL HG12 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 13 . 1 1 2 2 VAL HG13 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 14 . 1 1 2 2 VAL HG21 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 15 . 1 1 2 2 VAL HG22 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 16 . 1 1 2 2 VAL HG23 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 17 . 1 1 3 3 PHE H H 1 8.566 0.02 . 1 . . . . 235 F H . 16112 1 18 . 1 1 3 3 PHE HA H 1 4.611 0.02 . 1 . . . . 235 F HA . 16112 1 19 . 1 1 3 3 PHE HB2 H 1 3.137 0.02 . 2 . . . . 235 F HB2 . 16112 1 20 . 1 1 3 3 PHE HB3 H 1 3.197 0.02 . 2 . . . . 235 F HB3 . 16112 1 21 . 1 1 3 3 PHE HD1 H 1 7.287 0.02 . 4 . . . . 235 F HD1 . 16112 1 22 . 1 1 3 3 PHE HE1 H 1 7.214 0.02 . 4 . . . . 235 F HE . 16112 1 23 . 1 1 3 3 PHE HE2 H 1 7.214 0.02 . 4 . . . . 235 F HE . 16112 1 24 . 1 1 4 4 VAL H H 1 7.813 0.02 . 1 . . . . 236 V H . 16112 1 25 . 1 1 4 4 VAL HA H 1 3.894 0.02 . 1 . . . . 236 V HA . 16112 1 26 . 1 1 4 4 VAL HB H 1 2.097 0.02 . 1 . . . . 236 V HB . 16112 1 27 . 1 1 4 4 VAL HG21 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 28 . 1 1 4 4 VAL HG22 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 29 . 1 1 4 4 VAL HG23 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 30 . 1 1 5 5 SER H H 1 8.171 0.02 . 1 . . . . 237 S H . 16112 1 31 . 1 1 5 5 SER HA H 1 4.182 0.02 . 1 . . . . 237 S HA . 16112 1 32 . 1 1 5 5 SER HB2 H 1 3.819 0.02 . 2 . . . . 237 S HB2 . 16112 1 33 . 1 1 5 5 SER HB3 H 1 3.937 0.02 . 2 . . . . 237 S HB3 . 16112 1 34 . 1 1 6 6 VAL H H 1 7.725 0.02 . 1 . . . . 238 V H . 16112 1 35 . 1 1 6 6 VAL HA H 1 3.802 0.02 . 1 . . . . 238 V HA . 16112 1 36 . 1 1 6 6 VAL HB H 1 1.96 0.02 . 1 . . . . 238 V HB . 16112 1 37 . 1 1 6 6 VAL HG11 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 38 . 1 1 6 6 VAL HG12 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 39 . 1 1 6 6 VAL HG13 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 40 . 1 1 6 6 VAL HG21 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 41 . 1 1 6 6 VAL HG22 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 42 . 1 1 6 6 VAL HG23 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 43 . 1 1 7 7 TYR H H 1 7.565 0.02 . 1 . . . . 239 Y H . 16112 1 44 . 1 1 7 7 TYR HA H 1 4.228 0.02 . 1 . . . . 239 Y HA . 16112 1 45 . 1 1 7 7 TYR HB2 H 1 2.76 0.02 . 2 . . . . 239 Y HB2 . 16112 1 46 . 1 1 7 7 TYR HB3 H 1 2.982 0.02 . 2 . . . . 239 Y HB3 . 16112 1 47 . 1 1 7 7 TYR HD1 H 1 6.861 0.02 . 4 . . . . 239 Y HD1 . 16112 1 48 . 1 1 7 7 TYR HE1 H 1 6.75 0.02 . 4 . . . . 239 Y HE1 . 16112 1 49 . 1 1 8 8 LEU H H 1 7.811 0.02 . 1 . . . . 240 L H . 16112 1 50 . 1 1 8 8 LEU HA H 1 4.187 0.02 . 1 . . . . 240 L HA . 16112 1 51 . 1 1 8 8 LEU HB2 H 1 1.544 0.02 . 2 . . . . 240 L HB2 . 16112 1 52 . 1 1 8 8 LEU HB3 H 1 1.745 0.02 . 2 . . . . 240 L HB3 . 16112 1 53 . 1 1 8 8 LEU HD11 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 54 . 1 1 8 8 LEU HD12 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 55 . 1 1 8 8 LEU HD13 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 56 . 1 1 8 8 LEU HD21 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 57 . 1 1 8 8 LEU HD22 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 58 . 1 1 8 8 LEU HD23 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 59 . 1 1 9 9 ASN H H 1 7.562 0.02 . 1 . . . . 241 N H . 16112 1 60 . 1 1 9 9 ASN HA H 1 4.74 0.02 . 1 . . . . 241 N HA . 16112 1 61 . 1 1 9 9 ASN HB2 H 1 2.758 0.02 . 2 . . . . 241 N HB2 . 16112 1 62 . 1 1 9 9 ASN HD21 H 1 7.573 0.02 . 2 . . . . 241 N HD21 . 16112 1 63 . 1 1 9 9 ASN HD22 H 1 6.884 0.02 . 2 . . . . 241 N HD22 . 16112 1 64 . 1 1 10 10 ARG H H 1 8.329 0.02 . 1 . . . . 242 R H . 16112 1 65 . 1 1 10 10 ARG HA H 1 4.131 0.02 . 1 . . . . 242 R HA . 16112 1 66 . 1 1 10 10 ARG HB2 H 1 1.827 0.02 . 2 . . . . 242 R HB2 . 16112 1 67 . 1 1 10 10 ARG HB3 H 1 1.915 0.02 . 2 . . . . 242 R HB3 . 16112 1 68 . 1 1 10 10 ARG HD2 H 1 3.124 0.02 . 2 . . . . 242 R HD2 . 16112 1 69 . 1 1 10 10 ARG HE H 1 7.541 0.02 . 1 . . . . 242 R HE . 16112 1 70 . 1 1 10 10 ARG HG2 H 1 1.659 0.02 . 2 . . . . 242 R HG2 . 16112 1 71 . 1 1 10 10 ARG HG3 H 1 1.736 0.02 . 2 . . . . 242 R HG3 . 16112 1 72 . 1 1 11 11 SER H H 1 8.254 0.02 . 1 . . . . 243 S H . 16112 1 73 . 1 1 11 11 SER HA H 1 4.366 0.02 . 1 . . . . 243 S HA . 16112 1 74 . 1 1 11 11 SER HB2 H 1 3.918 0.02 . 2 . . . . 243 S HB2 . 16112 1 75 . 1 1 11 11 SER HB3 H 1 3.962 0.02 . 2 . . . . 243 S HB3 . 16112 1 76 . 1 1 12 12 TRP H H 1 8.155 0.02 . 1 . . . . 244 W H . 16112 1 77 . 1 1 12 12 TRP HA H 1 4.367 0.02 . 1 . . . . 244 W HA . 16112 1 78 . 1 1 12 12 TRP HB3 H 1 3.423 0.02 . 2 . . . . 244 W HB3 . 16112 1 79 . 1 1 12 12 TRP HD1 H 1 7.405 0.02 . 4 . . . . 244 W HD1 . 16112 1 80 . 1 1 12 12 TRP HE1 H 1 10.591 0.02 . 1 . . . . 244 W HE1 . 16112 1 81 . 1 1 12 12 TRP HH2 H 1 7.083 0.02 . 4 . . . . 244 W HH2 . 16112 1 82 . 1 1 12 12 TRP HZ2 H 1 7.503 0.02 . 4 . . . . 244 W HZ2 . 16112 1 83 . 1 1 12 12 TRP HZ3 H 1 6.96 0.02 . 4 . . . . 244 W HZ3 . 16112 1 84 . 1 1 13 13 LEU H H 1 7.885 0.02 . 1 . . . . 245 L H . 16112 1 85 . 1 1 13 13 LEU HA H 1 3.959 0.02 . 1 . . . . 245 L HA . 16112 1 86 . 1 1 13 13 LEU HB2 H 1 1.6 0.02 . 2 . . . . 245 L HB2 . 16112 1 87 . 1 1 13 13 LEU HB3 H 1 1.66 0.02 . 2 . . . . 245 L HB3 . 16112 1 88 . 1 1 13 13 LEU HD11 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 89 . 1 1 13 13 LEU HD12 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 90 . 1 1 13 13 LEU HD13 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 91 . 1 1 13 13 LEU HD21 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 92 . 1 1 13 13 LEU HD22 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 93 . 1 1 13 13 LEU HD23 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 94 . 1 1 13 13 LEU HG H 1 1.457 0.02 . 1 . . . . 245 L HG . 16112 1 95 . 1 1 14 14 GLY H H 1 8.044 0.02 . 1 . . . . 246 G H . 16112 1 96 . 1 1 14 14 GLY HA2 H 1 4.132 0.02 . 1 . . . . 246 G HA . 16112 1 97 . 1 1 14 14 GLY HA3 H 1 4.132 0.02 . 1 . . . . 246 G HA . 16112 1 98 . 1 1 15 15 LEU H H 1 7.899 0.02 . 1 . . . . 247 L H . 16112 1 99 . 1 1 15 15 LEU HA H 1 3.962 0.02 . 1 . . . . 247 L HA . 16112 1 100 . 1 1 15 15 LEU HB2 H 1 1.732 0.02 . 2 . . . . 247 L HB2 . 16112 1 101 . 1 1 16 16 ARG H H 1 7.791 0.02 . 1 . . . . 248 R H . 16112 1 102 . 1 1 16 16 ARG HA H 1 4.112 0.02 . 1 . . . . 248 R HA . 16112 1 103 . 1 1 16 16 ARG HB2 H 1 1.73 0.02 . 2 . . . . 248 R HB2 . 16112 1 104 . 1 1 16 16 ARG HD2 H 1 3.18 0.02 . 2 . . . . 248 R HD2 . 16112 1 105 . 1 1 16 16 ARG HD3 H 1 2.836 0.02 . 2 . . . . 248 R HD3 . 16112 1 106 . 1 1 16 16 ARG HE H 1 7.499 0.02 . 1 . . . . 248 R HE . 16112 1 107 . 1 1 16 16 ARG HG2 H 1 1.451 0.02 . 2 . . . . 248 R HG2 . 16112 1 108 . 1 1 16 16 ARG HH11 H 1 6.783 0.02 . 4 . . . . 248 R HH11 . 16112 1 109 . 1 1 16 16 ARG HH12 H 1 6.783 0.02 . 4 . . . . 248 R HH12 . 16112 1 110 . 1 1 16 16 ARG HH21 H 1 6.783 0.02 . 4 . . . . 248 R HH21 . 16112 1 111 . 1 1 16 16 ARG HH22 H 1 6.783 0.02 . 4 . . . . 248 R HH22 . 16112 1 112 . 1 1 17 17 PHE H H 1 8.272 0.02 . 1 . . . . 249 F H . 16112 1 113 . 1 1 17 17 PHE HA H 1 4.261 0.02 . 1 . . . . 249 F HA . 16112 1 114 . 1 1 17 17 PHE HB2 H 1 3.182 0.02 . 2 . . . . 249 F HB2 . 16112 1 115 . 1 1 17 17 PHE HB3 H 1 3.241 0.02 . 2 . . . . 249 F HB3 . 16112 1 116 . 1 1 17 17 PHE HD1 H 1 7.139 0.02 . 4 . . . . 249 F HD1 . 16112 1 117 . 1 1 17 17 PHE HE1 H 1 7.1 0.02 . 4 . . . . 249 F HE . 16112 1 118 . 1 1 17 17 PHE HE2 H 1 7.1 0.02 . 4 . . . . 249 F HE . 16112 1 119 . 1 1 18 18 LEU H H 1 8.037 0.02 . 1 . . . . 250 L H . 16112 1 120 . 1 1 18 18 LEU HA H 1 3.911 0.02 . 1 . . . . 250 L HA . 16112 1 121 . 1 1 18 18 LEU HB2 H 1 1.787 0.02 . 2 . . . . 250 L HB2 . 16112 1 122 . 1 1 18 18 LEU HB3 H 1 1.87 0.02 . 2 . . . . 250 L HB3 . 16112 1 123 . 1 1 18 18 LEU HD11 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 124 . 1 1 18 18 LEU HD12 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 125 . 1 1 18 18 LEU HD13 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 126 . 1 1 18 18 LEU HD21 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 127 . 1 1 18 18 LEU HD22 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 128 . 1 1 18 18 LEU HD23 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 129 . 1 1 18 18 LEU HG H 1 1.579 0.02 . 1 . . . . 250 L HG . 16112 1 130 . 1 1 19 19 ARG H H 1 7.951 0.02 . 1 . . . . 251 R H . 16112 1 131 . 1 1 19 19 ARG HA H 1 3.979 0.02 . 1 . . . . 251 R HA . 16112 1 132 . 1 1 19 19 ARG HB2 H 1 1.799 0.02 . 2 . . . . 251 R HB2 . 16112 1 133 . 1 1 19 19 ARG HB3 H 1 1.91 0.02 . 2 . . . . 251 R HB3 . 16112 1 134 . 1 1 19 19 ARG HD2 H 1 3.149 0.02 . 2 . . . . 251 R HD2 . 16112 1 135 . 1 1 19 19 ARG HD3 H 1 3.192 0.02 . 2 . . . . 251 R HD3 . 16112 1 136 . 1 1 19 19 ARG HE H 1 7.434 0.02 . 1 . . . . 251 R HE . 16112 1 137 . 1 1 19 19 ARG HG3 H 1 1.657 0.02 . 2 . . . . 251 R HG3 . 16112 1 138 . 1 1 20 20 ALA H H 1 7.793 0.02 . 1 . . . . 252 A H . 16112 1 139 . 1 1 20 20 ALA HA H 1 4.089 0.02 . 1 . . . . 252 A HA . 16112 1 140 . 1 1 20 20 ALA HB1 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 141 . 1 1 20 20 ALA HB2 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 142 . 1 1 20 20 ALA HB3 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 143 . 1 1 21 21 LEU H H 1 7.748 0.02 . 1 . . . . 253 L H . 16112 1 144 . 1 1 21 21 LEU HA H 1 3.955 0.02 . 1 . . . . 253 L HA . 16112 1 145 . 1 1 21 21 LEU HB2 H 1 1.648 0.02 . 2 . . . . 253 L HB2 . 16112 1 146 . 1 1 21 21 LEU HB3 H 1 1.704 0.02 . 2 . . . . 253 L HB3 . 16112 1 147 . 1 1 21 21 LEU HD11 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 148 . 1 1 21 21 LEU HD12 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 149 . 1 1 21 21 LEU HD13 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 150 . 1 1 21 21 LEU HD21 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 151 . 1 1 21 21 LEU HD22 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 152 . 1 1 21 21 LEU HD23 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 153 . 1 1 21 21 LEU HG H 1 1.535 0.02 . 1 . . . . 253 L HG . 16112 1 154 . 1 1 22 22 ARG H H 1 7.684 0.02 . 1 . . . . 254 R H . 16112 1 155 . 1 1 22 22 ARG HA H 1 4.106 0.02 . 1 . . . . 254 R HA . 16112 1 156 . 1 1 22 22 ARG HB2 H 1 1.84 0.02 . 2 . . . . 254 R HB2 . 16112 1 157 . 1 1 22 22 ARG HB3 H 1 1.89 0.02 . 2 . . . . 254 R HB3 . 16112 1 158 . 1 1 22 22 ARG HD3 H 1 3.186 0.02 . 2 . . . . 254 R HD3 . 16112 1 159 . 1 1 22 22 ARG HE H 1 7.421 0.02 . 1 . . . . 254 R HE . 16112 1 160 . 1 1 22 22 ARG HG2 H 1 1.801 0.02 . 1 . . . . 254 R HG2 . 16112 1 161 . 1 1 22 22 ARG HG3 H 1 1.712 0.02 . 2 . . . . 254 R HG3 . 16112 1 162 . 1 1 23 23 LEU H H 1 7.736 0.02 . 1 . . . . 255 L H . 16112 1 163 . 1 1 23 23 LEU HA H 1 4.226 0.02 . 1 . . . . 255 L HA . 16112 1 164 . 1 1 23 23 LEU HB2 H 1 1.613 0.02 . 2 . . . . 255 L HB2 . 16112 1 165 . 1 1 23 23 LEU HB3 H 1 1.898 0.02 . 2 . . . . 255 L HB3 . 16112 1 166 . 1 1 23 23 LEU HD11 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 167 . 1 1 23 23 LEU HD12 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 168 . 1 1 23 23 LEU HD13 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 169 . 1 1 23 23 LEU HD21 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 170 . 1 1 23 23 LEU HD22 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 171 . 1 1 23 23 LEU HD23 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 172 . 1 1 23 23 LEU HG H 1 1.793 0.02 . 1 . . . . 255 L HG . 16112 1 173 . 1 1 24 24 ILE H H 1 7.42 0.02 . 1 . . . . 256 I H . 16112 1 174 . 1 1 24 24 ILE HA H 1 3.997 0.02 . 1 . . . . 256 I HA . 16112 1 175 . 1 1 24 24 ILE HB H 1 1.912 0.02 . 1 . . . . 256 I HB . 16112 1 176 . 1 1 24 24 ILE HD11 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 177 . 1 1 24 24 ILE HD12 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 178 . 1 1 24 24 ILE HD13 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 179 . 1 1 24 24 ILE HG12 H 1 1.131 0.02 . 1 . . . . 256 I HG12 . 16112 1 180 . 1 1 24 24 ILE HG13 H 1 1.57 0.02 . 1 . . . . 256 I HG13 . 16112 1 181 . 1 1 24 24 ILE HG21 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 182 . 1 1 24 24 ILE HG22 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 183 . 1 1 24 24 ILE HG23 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 184 . 1 1 25 25 GLN H H 1 7.971 0.02 . 1 . . . . 257 Q H . 16112 1 185 . 1 1 25 25 GLN HA H 1 4.243 0.02 . 1 . . . . 257 Q HA . 16112 1 186 . 1 1 25 25 GLN HB2 H 1 1.923 0.02 . 2 . . . . 257 Q HB2 . 16112 1 187 . 1 1 25 25 GLN HB3 H 1 1.971 0.02 . 2 . . . . 257 Q HB3 . 16112 1 188 . 1 1 25 25 GLN HE21 H 1 7.378 0.02 . 2 . . . . 257 Q HE21 . 16112 1 189 . 1 1 25 25 GLN HE22 H 1 6.699 0.02 . 2 . . . . 257 Q HE22 . 16112 1 190 . 1 1 25 25 GLN HG2 H 1 2.191 0.02 . 2 . . . . 257 Q HG2 . 16112 1 191 . 1 1 25 25 GLN HG3 H 1 2.231 0.02 . 2 . . . . 257 Q HG3 . 16112 1 192 . 1 1 26 26 PHE H H 1 8.167 0.02 . 1 . . . . 258 F H . 16112 1 193 . 1 1 26 26 PHE HA H 1 4.68 0.02 . 1 . . . . 258 F HA . 16112 1 194 . 1 1 26 26 PHE HB2 H 1 3.009 0.02 . 2 . . . . 258 F HB2 . 16112 1 195 . 1 1 26 26 PHE HB3 H 1 3.214 0.02 . 2 . . . . 258 F HB3 . 16112 1 196 . 1 1 26 26 PHE HD1 H 1 7.288 0.02 . 4 . . . . 258 F HD1 . 16112 1 197 . 1 1 26 26 PHE HE1 H 1 7.29 0.02 . 4 . . . . 258 F HE1 . 16112 1 198 . 1 1 27 27 SER H H 1 8.096 0.02 . 1 . . . . 259 S H . 16112 1 199 . 1 1 27 27 SER HA H 1 4.431 0.02 . 1 . . . . 259 S HA . 16112 1 200 . 1 1 27 27 SER HB3 H 1 3.85 0.02 . 2 . . . . 259 S HB3 . 16112 1 201 . 1 1 28 28 GLU H H 1 7.889 0.02 . 1 . . . . 260 E H . 16112 1 202 . 1 1 28 28 GLU HA H 1 4.165 0.02 . 1 . . . . 260 E HA . 16112 1 203 . 1 1 28 28 GLU HB2 H 1 1.911 0.02 . 2 . . . . 260 E HB2 . 16112 1 204 . 1 1 28 28 GLU HB3 H 1 2.097 0.02 . 2 . . . . 260 E HB3 . 16112 1 205 . 1 1 28 28 GLU HG3 H 1 2.316 0.02 . 2 . . . . 260 E HG3 . 16112 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 21 16112 1 1 22 16112 1 1 23 16112 1 2 47 16112 1 2 48 16112 1 3 79 16112 1 3 81 16112 1 3 82 16112 1 3 83 16112 1 4 108 16112 1 4 109 16112 1 4 110 16112 1 4 111 16112 1 5 116 16112 1 5 117 16112 1 5 118 16112 1 6 196 16112 1 6 197 16112 1 stop_ save_