################################### # 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 15500 _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 0.005 _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 NOESY' . . . 15500 1 2 '2D 1H-1H TOCSY' . . . 15500 1 3 '2D purged-COSY' . . . 15500 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 . 2 2 1 1 SER H H 1 8.134 0.005 . 1 . . . . 1 S H . 15500 1 2 . 2 2 1 1 SER HA H 1 4.406 0.005 . 1 . . . . 1 S HA . 15500 1 3 . 2 2 1 1 SER HB2 H 1 3.712 0.005 . 2 . . . . 1 S HB1 . 15500 1 4 . 2 2 1 1 SER HB3 H 1 3.804 0.005 . 2 . . . . 1 S HB2 . 15500 1 5 . 2 2 2 2 SER H H 1 8.345 0.005 . 1 . . . . 2 S HN . 15500 1 6 . 2 2 2 2 SER HA H 1 4.321 0.005 . 1 . . . . 2 S HA . 15500 1 7 . 2 2 2 2 SER HB2 H 1 3.658 0.005 . 2 . . . . 2 S HB1 . 15500 1 8 . 2 2 2 2 SER HB3 H 1 3.772 0.005 . 2 . . . . 2 S HB2 . 15500 1 9 . 2 2 3 3 ASP H H 1 7.937 0.005 . 1 . . . . 3 D HN . 15500 1 10 . 2 2 3 3 ASP HA H 1 4.259 0.005 . 1 . . . . 3 D HA . 15500 1 11 . 2 2 3 3 ASP HB2 H 1 1.950 0.005 . 2 . . . . 3 D HB1 . 15500 1 12 . 2 2 3 3 ASP HB3 H 1 2.112 0.005 . 2 . . . . 3 D HB2 . 15500 1 13 . 2 2 4 4 PHE H H 1 8.156 0.005 . 1 . . . . 4 F HN . 15500 1 14 . 2 2 4 4 PHE HA H 1 4.641 0.005 . 1 . . . . 4 F HA . 15500 1 15 . 2 2 4 4 PHE HB2 H 1 2.950 0.005 . 2 . . . . 4 F HB1 . 15500 1 16 . 2 2 4 4 PHE HB3 H 1 2.950 0.005 . 2 . . . . 4 F HB2 . 15500 1 17 . 2 2 4 4 PHE HD1 H 1 6.979 0.005 . 3 . . . . 4 F HD1 . 15500 1 18 . 2 2 4 4 PHE HD2 H 1 6.979 0.005 . 3 . . . . 4 F HD2 . 15500 1 19 . 2 2 4 4 PHE HE1 H 1 7.281 0.005 . 3 . . . . 4 F HE1 . 15500 1 20 . 2 2 4 4 PHE HE2 H 1 7.281 0.005 . 3 . . . . 4 F HE2 . 15500 1 21 . 2 2 5 5 CYS H H 1 7.819 0.005 . 1 . . . . 5 C HN . 15500 1 22 . 2 2 5 5 CYS HA H 1 4.941 0.005 . 1 . . . . 5 C HA . 15500 1 23 . 2 2 5 5 CYS HB2 H 1 2.688 0.005 . 2 . . . . 5 C HB1 . 15500 1 24 . 2 2 5 5 CYS HB3 H 1 2.688 0.005 . 2 . . . . 5 C HB2 . 15500 1 25 . 2 2 6 6 CYS H H 1 9.000 0.005 . 1 . . . . 6 C HN . 15500 1 26 . 2 2 6 6 CYS HA H 1 4.563 0.005 . 1 . . . . 6 C HA . 15500 1 27 . 2 2 6 6 CYS HB2 H 1 2.655 0.005 . 2 . . . . 6 C HB1 . 15500 1 28 . 2 2 6 6 CYS HB3 H 1 3.228 0.005 . 2 . . . . 6 C HB2 . 15500 1 29 . 2 2 7 7 PRO HA H 1 4.537 0.005 . 1 . . . . 7 P HA . 15500 1 30 . 2 2 7 7 PRO HB2 H 1 2.137 0.005 . 2 . . . . 7 P HB1 . 15500 1 31 . 2 2 7 7 PRO HB3 H 1 2.374 0.005 . 2 . . . . 7 P HB2 . 15500 1 32 . 2 2 7 7 PRO HD2 H 1 4.049 0.005 . 2 . . . . 7 P HD1 . 15500 1 33 . 2 2 7 7 PRO HD3 H 1 4.210 0.005 . 2 . . . . 7 P HD2 . 15500 1 34 . 2 2 7 7 PRO HG2 H 1 2.021 0.005 . 2 . . . . 7 P HG1 . 15500 1 35 . 2 2 7 7 PRO HG3 H 1 2.021 0.005 . 2 . . . . 7 P HG2 . 15500 1 36 . 2 2 8 8 LYS H H 1 9.199 0.005 . 1 . . . . 8 K HN . 15500 1 37 . 2 2 8 8 LYS HA H 1 4.404 0.005 . 1 . . . . 8 K HA . 15500 1 38 . 2 2 8 8 LYS HB2 H 1 1.788 0.005 . 2 . . . . 8 K HB1 . 15500 1 39 . 2 2 8 8 LYS HB3 H 1 1.788 0.005 . 2 . . . . 8 K HB2 . 15500 1 40 . 2 2 8 8 LYS HD2 H 1 1.575 0.005 . 2 . . . . 8 K HD1 . 15500 1 41 . 2 2 8 8 LYS HD3 H 1 1.575 0.005 . 2 . . . . 8 K HD2 . 15500 1 42 . 2 2 8 8 LYS HE2 H 1 2.897 0.005 . 2 . . . . 8 K HE1 . 15500 1 43 . 2 2 8 8 LYS HE3 H 1 2.897 0.005 . 2 . . . . 8 K HE2 . 15500 1 44 . 2 2 8 8 LYS HG2 H 1 1.329 0.005 . 2 . . . . 8 K HG1 . 15500 1 45 . 2 2 8 8 LYS HG3 H 1 1.329 0.005 . 2 . . . . 8 K HG2 . 15500 1 46 . 2 2 9 9 CYS H H 1 8.029 0.005 . 1 . . . . 9 C HN . 15500 1 47 . 2 2 9 9 CYS HA H 1 5.023 0.005 . 1 . . . . 9 C HA . 15500 1 48 . 2 2 9 9 CYS HB2 H 1 2.260 0.005 . 2 . . . . 9 C HB1 . 15500 1 49 . 2 2 9 9 CYS HB3 H 1 3.232 0.005 . 2 . . . . 9 C HB2 . 15500 1 50 . 2 2 10 10 GLN H H 1 8.029 0.005 . 1 . . . . 10 Q HN . 15500 1 51 . 2 2 10 10 GLN HA H 1 4.169 0.005 . 1 . . . . 10 Q HA . 15500 1 52 . 2 2 10 10 GLN HB2 H 1 1.849 0.005 . 2 . . . . 10 Q HB1 . 15500 1 53 . 2 2 10 10 GLN HB3 H 1 2.013 0.005 . 2 . . . . 10 Q HB2 . 15500 1 54 . 2 2 11 11 TYR H H 1 8.666 0.005 . 1 . . . . 11 Y HN . 15500 1 55 . 2 2 11 11 TYR HA H 1 4.165 0.005 . 1 . . . . 11 Y HA . 15500 1 56 . 2 2 11 11 TYR HB2 H 1 1.871 0.005 . 2 . . . . 11 Y HB1 . 15500 1 57 . 2 2 11 11 TYR HB3 H 1 2.968 0.005 . 2 . . . . 11 Y HB2 . 15500 1 58 . 2 2 11 11 TYR HD1 H 1 6.302 0.005 . 3 . . . . 11 Y HD1 . 15500 1 59 . 2 2 11 11 TYR HD2 H 1 6.302 0.005 . 3 . . . . 11 Y HD2 . 15500 1 60 . 2 2 11 11 TYR HE1 H 1 6.437 0.005 . 3 . . . . 11 Y HE1 . 15500 1 61 . 2 2 11 11 TYR HE2 H 1 6.437 0.005 . 3 . . . . 11 Y HE2 . 15500 1 62 . 2 2 12 12 GLN H H 1 7.652 0.005 . 1 . . . . 12 Q HN . 15500 1 63 . 2 2 12 12 GLN HA H 1 4.338 0.005 . 1 . . . . 12 Q HA . 15500 1 64 . 2 2 12 12 GLN HB2 H 1 1.644 0.005 . 2 . . . . 12 Q HB1 . 15500 1 65 . 2 2 12 12 GLN HB3 H 1 1.740 0.005 . 2 . . . . 12 Q HB2 . 15500 1 66 . 2 2 12 12 GLN HG2 H 1 2.137 0.005 . 2 . . . . 12 Q HG1 . 15500 1 67 . 2 2 12 12 GLN HG3 H 1 2.198 0.005 . 2 . . . . 12 Q HG2 . 15500 1 68 . 2 2 13 13 ALA H H 1 8.154 0.005 . 1 . . . . 13 A HN . 15500 1 69 . 2 2 13 13 ALA HA H 1 4.317 0.005 . 1 . . . . 13 A HA . 15500 1 70 . 2 2 13 13 ALA HB1 H 1 1.442 0.005 . 1 . . . . 13 A HB1 . 15500 1 71 . 2 2 13 13 ALA HB2 H 1 1.442 0.005 . 1 . . . . 13 A HB2 . 15500 1 72 . 2 2 13 13 ALA HB3 H 1 1.442 0.005 . 1 . . . . 13 A HB3 . 15500 1 73 . 2 2 14 14 PRO HA H 1 4.439 0.005 . 1 . . . . 14 P HA . 15500 1 74 . 2 2 14 14 PRO HB2 H 1 2.086 0.005 . 2 . . . . 14 P HB1 . 15500 1 75 . 2 2 14 14 PRO HB3 H 1 2.241 0.005 . 2 . . . . 14 P HB2 . 15500 1 76 . 2 2 14 14 PRO HD2 H 1 3.622 0.005 . 2 . . . . 14 P HD1 . 15500 1 77 . 2 2 14 14 PRO HD3 H 1 3.723 0.005 . 2 . . . . 14 P HD2 . 15500 1 78 . 2 2 14 14 PRO HG2 H 1 1.957 0.005 . 2 . . . . 14 P HG1 . 15500 1 79 . 2 2 14 14 PRO HG3 H 1 1.957 0.005 . 2 . . . . 14 P HG2 . 15500 1 80 . 2 2 15 15 ASP H H 1 6.954 0.005 . 1 . . . . 15 D HN . 15500 1 81 . 2 2 15 15 ASP HA H 1 3.613 0.005 . 1 . . . . 15 D HA . 15500 1 82 . 2 2 15 15 ASP HB2 H 1 2.713 0.005 . 2 . . . . 15 D HB1 . 15500 1 83 . 2 2 15 15 ASP HB3 H 1 2.713 0.005 . 2 . . . . 15 D HB2 . 15500 1 84 . 2 2 16 16 MET H H 1 8.091 0.005 . 1 . . . . 16 M HN . 15500 1 85 . 2 2 16 16 MET HA H 1 3.911 0.005 . 1 . . . . 16 M HA . 15500 1 86 . 2 2 16 16 MET HB2 H 1 1.915 0.005 . 2 . . . . 16 M HB1 . 15500 1 87 . 2 2 16 16 MET HB3 H 1 1.915 0.005 . 2 . . . . 16 M HB2 . 15500 1 88 . 2 2 16 16 MET HG2 H 1 2.546 0.005 . 2 . . . . 16 M HG1 . 15500 1 89 . 2 2 16 16 MET HG3 H 1 2.546 0.005 . 2 . . . . 16 M HG2 . 15500 1 90 . 2 2 17 17 ASP H H 1 8.247 0.005 . 1 . . . . 17 D HN . 15500 1 91 . 2 2 17 17 ASP HA H 1 4.254 0.005 . 1 . . . . 17 D HA . 15500 1 92 . 2 2 17 17 ASP HB2 H 1 2.528 0.005 . 2 . . . . 17 D HB1 . 15500 1 93 . 2 2 17 17 ASP HB3 H 1 2.528 0.005 . 2 . . . . 17 D HB2 . 15500 1 94 . 2 2 18 18 THR H H 1 8.601 0.005 . 1 . . . . 18 T HN . 15500 1 95 . 2 2 18 18 THR HA H 1 3.935 0.005 . 1 . . . . 18 T HA . 15500 1 96 . 2 2 18 18 THR HB H 1 3.935 0.005 . 1 . . . . 18 T HB . 15500 1 97 . 2 2 18 18 THR HG21 H 1 1.419 0.005 . 1 . . . . 18 T HG21 . 15500 1 98 . 2 2 18 18 THR HG22 H 1 1.419 0.005 . 1 . . . . 18 T HG22 . 15500 1 99 . 2 2 18 18 THR HG23 H 1 1.419 0.005 . 1 . . . . 18 T HG23 . 15500 1 100 . 2 2 19 19 LEU H H 1 7.694 0.005 . 1 . . . . 19 L HN . 15500 1 101 . 2 2 19 19 LEU HA H 1 4.168 0.005 . 1 . . . . 19 L HA . 15500 1 102 . 2 2 19 19 LEU HB2 H 1 1.439 0.005 . 2 . . . . 19 L HB1 . 15500 1 103 . 2 2 19 19 LEU HB3 H 1 2.244 0.005 . 2 . . . . 19 L HB2 . 15500 1 104 . 2 2 19 19 LEU HD11 H 1 0.904 0.005 . 4 . . . . 19 L HD11 . 15500 1 105 . 2 2 19 19 LEU HD12 H 1 0.904 0.005 . 4 . . . . 19 L HD12 . 15500 1 106 . 2 2 19 19 LEU HD13 H 1 0.904 0.005 . 4 . . . . 19 L HD13 . 15500 1 107 . 2 2 19 19 LEU HD21 H 1 0.968 0.005 . 4 . . . . 19 L HD21 . 15500 1 108 . 2 2 19 19 LEU HD22 H 1 0.968 0.005 . 4 . . . . 19 L HD22 . 15500 1 109 . 2 2 19 19 LEU HD23 H 1 0.968 0.005 . 4 . . . . 19 L HD23 . 15500 1 110 . 2 2 19 19 LEU HG H 1 1.722 0.005 . 1 . . . . 19 L HG . 15500 1 111 . 2 2 20 20 GLN H H 1 8.361 0.005 . 1 . . . . 20 Q HN . 15500 1 112 . 2 2 20 20 GLN HA H 1 4.057 0.005 . 1 . . . . 20 Q HA . 15500 1 113 . 2 2 20 20 GLN HB2 H 1 2.141 0.005 . 2 . . . . 20 Q HB1 . 15500 1 114 . 2 2 20 20 GLN HB3 H 1 2.218 0.005 . 2 . . . . 20 Q HB2 . 15500 1 115 . 2 2 20 20 GLN HG2 H 1 2.483 0.005 . 2 . . . . 20 Q HG1 . 15500 1 116 . 2 2 20 20 GLN HG3 H 1 2.483 0.005 . 2 . . . . 20 Q HG2 . 15500 1 117 . 2 2 21 21 ILE H H 1 7.488 0.005 . 1 . . . . 21 I HN . 15500 1 118 . 2 2 21 21 ILE HA H 1 3.736 0.005 . 1 . . . . 21 I HA . 15500 1 119 . 2 2 21 21 ILE HB H 1 1.933 0.005 . 1 . . . . 21 I HB . 15500 1 120 . 2 2 21 21 ILE HD11 H 1 0.825 0.005 . 1 . . . . 21 I HD11 . 15500 1 121 . 2 2 21 21 ILE HD12 H 1 0.825 0.005 . 1 . . . . 21 I HD12 . 15500 1 122 . 2 2 21 21 ILE HD13 H 1 0.825 0.005 . 1 . . . . 21 I HD13 . 15500 1 123 . 2 2 21 21 ILE HG12 H 1 1.176 0.005 . 4 . . . . 21 I HG11 . 15500 1 124 . 2 2 21 21 ILE HG13 H 1 1.722 0.005 . 4 . . . . 21 I HG12 . 15500 1 125 . 2 2 21 21 ILE HG21 H 1 0.905 0.005 . 4 . . . . 21 I HG21 . 15500 1 126 . 2 2 21 21 ILE HG22 H 1 0.905 0.005 . 4 . . . . 21 I HG22 . 15500 1 127 . 2 2 21 21 ILE HG23 H 1 0.905 0.005 . 4 . . . . 21 I HG23 . 15500 1 128 . 2 2 22 22 HIS H H 1 7.683 0.005 . 1 . . . . 22 H HN . 15500 1 129 . 2 2 22 22 HIS HA H 1 4.190 0.005 . 1 . . . . 22 H HA . 15500 1 130 . 2 2 22 22 HIS HB2 H 1 3.024 0.005 . 2 . . . . 22 H HB1 . 15500 1 131 . 2 2 22 22 HIS HB3 H 1 3.780 0.005 . 2 . . . . 22 H HB2 . 15500 1 132 . 2 2 22 22 HIS HD2 H 1 6.993 0.005 . 1 . . . . 22 H HD2 . 15500 1 133 . 2 2 22 22 HIS HE1 H 1 7.531 0.005 . 1 . . . . 22 H HE1 . 15500 1 134 . 2 2 23 23 VAL H H 1 8.692 0.005 . 1 . . . . 23 V HN . 15500 1 135 . 2 2 23 23 VAL HA H 1 3.790 0.005 . 1 . . . . 23 V HA . 15500 1 136 . 2 2 23 23 VAL HB H 1 2.242 0.005 . 1 . . . . 23 V HB . 15500 1 137 . 2 2 23 23 VAL HG11 H 1 1.108 0.005 . 4 . . . . 23 V HG11 . 15500 1 138 . 2 2 23 23 VAL HG12 H 1 1.108 0.005 . 4 . . . . 23 V HG12 . 15500 1 139 . 2 2 23 23 VAL HG13 H 1 1.108 0.005 . 4 . . . . 23 V HG13 . 15500 1 140 . 2 2 23 23 VAL HG21 H 1 1.235 0.005 . 4 . . . . 23 V HG21 . 15500 1 141 . 2 2 23 23 VAL HG22 H 1 1.235 0.005 . 4 . . . . 23 V HG22 . 15500 1 142 . 2 2 23 23 VAL HG23 H 1 1.235 0.005 . 4 . . . . 23 V HG23 . 15500 1 143 . 2 2 24 24 MET H H 1 7.739 0.005 . 1 . . . . 24 M HN . 15500 1 144 . 2 2 24 24 MET HA H 1 4.307 0.005 . 1 . . . . 24 M HA . 15500 1 145 . 2 2 24 24 MET HB2 H 1 2.120 0.005 . 2 . . . . 24 M HB1 . 15500 1 146 . 2 2 24 24 MET HB3 H 1 2.120 0.005 . 2 . . . . 24 M HB2 . 15500 1 147 . 2 2 24 24 MET HG2 H 1 2.610 0.005 . 2 . . . . 24 M HG1 . 15500 1 148 . 2 2 24 24 MET HG3 H 1 2.726 0.005 . 2 . . . . 24 M HG2 . 15500 1 149 . 2 2 25 25 GLU H H 1 8.209 0.005 . 1 . . . . 25 E HN . 15500 1 150 . 2 2 25 25 GLU HA H 1 4.158 0.005 . 1 . . . . 25 E HA . 15500 1 151 . 2 2 25 25 GLU HB2 H 1 1.854 0.005 . 2 . . . . 25 E HB1 . 15500 1 152 . 2 2 25 25 GLU HB3 H 1 2.018 0.005 . 2 . . . . 25 E HB2 . 15500 1 153 . 2 2 25 25 GLU HG2 H 1 2.256 0.005 . 2 . . . . 25 E HG1 . 15500 1 154 . 2 2 25 25 GLU HG3 H 1 2.256 0.005 . 2 . . . . 25 E HG2 . 15500 1 155 . 2 2 26 26 PHE H H 1 8.075 0.005 . 1 . . . . 26 F HN . 15500 1 156 . 2 2 26 26 PHE HA H 1 4.379 0.005 . 1 . . . . 26 F HA . 15500 1 157 . 2 2 26 26 PHE HB2 H 1 2.954 0.005 . 2 . . . . 26 F HB1 . 15500 1 158 . 2 2 26 26 PHE HB3 H 1 2.954 0.005 . 2 . . . . 26 F HB2 . 15500 1 159 . 2 2 26 26 PHE HD1 H 1 7.028 0.005 . 3 . . . . 26 F HD1 . 15500 1 160 . 2 2 26 26 PHE HD2 H 1 7.028 0.005 . 3 . . . . 26 F HD2 . 15500 1 161 . 2 2 26 26 PHE HE1 H 1 7.247 0.005 . 3 . . . . 26 F HE1 . 15500 1 162 . 2 2 26 26 PHE HE2 H 1 7.247 0.005 . 3 . . . . 26 F HE2 . 15500 1 163 . 2 2 27 27 ILE H H 1 7.687 0.005 . 1 . . . . 27 I HN . 15500 1 164 . 2 2 27 27 ILE HA H 1 3.935 0.005 . 1 . . . . 27 I HA . 15500 1 165 . 2 2 27 27 ILE HB H 1 1.733 0.005 . 1 . . . . 27 I HB . 15500 1 166 . 2 2 27 27 ILE HD11 H 1 0.780 0.005 . 1 . . . . 27 I HD11 . 15500 1 167 . 2 2 27 27 ILE HD12 H 1 0.780 0.005 . 1 . . . . 27 I HD12 . 15500 1 168 . 2 2 27 27 ILE HD13 H 1 0.780 0.005 . 1 . . . . 27 I HD13 . 15500 1 169 . 2 2 27 27 ILE HG12 H 1 1.069 0.005 . 4 . . . . 27 I HG11 . 15500 1 170 . 2 2 27 27 ILE HG13 H 1 1.381 0.005 . 4 . . . . 27 I HG12 . 15500 1 171 . 2 2 27 27 ILE HG21 H 1 0.780 0.005 . 4 . . . . 27 I HG21 . 15500 1 172 . 2 2 27 27 ILE HG22 H 1 0.780 0.005 . 4 . . . . 27 I HG22 . 15500 1 173 . 2 2 27 27 ILE HG23 H 1 0.780 0.005 . 4 . . . . 27 I HG23 . 15500 1 174 . 2 2 28 28 GLU H H 1 7.859 0.005 . 1 . . . . 28 E HN . 15500 1 175 . 2 2 28 28 GLU HA H 1 4.007 0.005 . 1 . . . . 28 E HA . 15500 1 176 . 2 2 28 28 GLU HB2 H 1 1.846 0.005 . 2 . . . . 28 E HB1 . 15500 1 177 . 2 2 28 28 GLU HB3 H 1 1.956 0.005 . 2 . . . . 28 E HB2 . 15500 1 178 . 2 2 28 28 GLU HG2 H 1 2.142 0.005 . 2 . . . . 28 E HG1 . 15500 1 179 . 2 2 28 28 GLU HG3 H 1 2.142 0.005 . 2 . . . . 28 E HG2 . 15500 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 1 104 15500 1 1 105 15500 1 1 106 15500 1 1 107 15500 1 1 108 15500 1 1 109 15500 1 2 123 15500 1 2 124 15500 1 2 125 15500 1 2 126 15500 1 2 127 15500 1 3 137 15500 1 3 138 15500 1 3 139 15500 1 3 140 15500 1 3 141 15500 1 3 142 15500 1 4 169 15500 1 4 170 15500 1 4 171 15500 1 4 172 15500 1 4 173 15500 1 stop_ save_