################################### # 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 15747 _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-13C HSQC' . . . 15747 1 2 '2D 1H-1H TOCSY' . . . 15747 1 3 '2D 1H-1H NOESY' . . . 15747 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15747 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 2 2 LYS H H 1 8.627 0.05 . 1 . . . . 1 K HN . 15747 1 2 . 1 1 2 2 LYS HA H 1 4.048 0.05 . 1 . . . . 1 K HA . 15747 1 3 . 1 1 2 2 LYS HB2 H 1 1.763 0.05 . 2 . . . . 1 K HB2 . 15747 1 4 . 1 1 2 2 LYS HD2 H 1 1.670 0.05 . 2 . . . . 1 K HD . 15747 1 5 . 1 1 2 2 LYS HD3 H 1 1.670 0.05 . 2 . . . . 1 K HD . 15747 1 6 . 1 1 2 2 LYS HE2 H 1 2.927 0.05 . 2 . . . . 1 K HE . 15747 1 7 . 1 1 2 2 LYS HE3 H 1 2.927 0.05 . 2 . . . . 1 K HE . 15747 1 8 . 1 1 2 2 LYS HG2 H 1 1.497 0.05 . 1 . . . . 1 K HG1 . 15747 1 9 . 1 1 2 2 LYS HG3 H 1 1.407 0.05 . 2 . . . . 1 K HG2 . 15747 1 10 . 1 1 2 2 LYS HZ1 H 1 7.653 0.05 . 1 . . . . 1 K HZ . 15747 1 11 . 1 1 2 2 LYS HZ2 H 1 7.653 0.05 . 1 . . . . 1 K HZ . 15747 1 12 . 1 1 2 2 LYS HZ3 H 1 7.653 0.05 . 1 . . . . 1 K HZ . 15747 1 13 . 1 1 2 2 LYS CA C 13 56.900 0.5 . 1 . . . . 1 K CA . 15747 1 14 . 1 1 2 2 LYS CB C 13 32.260 0.5 . 1 . . . . 1 K CB . 15747 1 15 . 1 1 2 2 LYS CD C 13 28.650 0.5 . 1 . . . . 1 K CD . 15747 1 16 . 1 1 2 2 LYS CE C 13 41.514 0.5 . 1 . . . . 1 K CE . 15747 1 17 . 1 1 2 2 LYS CG C 13 24.826 0.5 . 1 . . . . 1 K CG . 15747 1 18 . 1 1 3 3 SER H H 1 8.530 0.05 . 1 . . . . 2 S HN . 15747 1 19 . 1 1 3 3 SER HA H 1 4.337 0.05 . 1 . . . . 2 S HA . 15747 1 20 . 1 1 3 3 SER HB2 H 1 3.889 0.05 . 1 . . . . 2 S HB1 . 15747 1 21 . 1 1 3 3 SER HB3 H 1 3.787 0.05 . 2 . . . . 2 S HB2 . 15747 1 22 . 1 1 3 3 SER CA C 13 59.037 0.5 . 1 . . . . 2 S CA . 15747 1 23 . 1 1 3 3 SER CB C 13 62.649 0.5 . 1 . . . . 2 S CB . 15747 1 24 . 1 1 4 4 TYR H H 1 8.225 0.05 . 1 . . . . 3 Y HN . 15747 1 25 . 1 1 4 4 TYR HA H 1 4.485 0.05 . 1 . . . . 3 Y HA . 15747 1 26 . 1 1 4 4 TYR HB2 H 1 3.144 0.05 . 1 . . . . 3 Y HB1 . 15747 1 27 . 1 1 4 4 TYR HB3 H 1 3.100 0.05 . 2 . . . . 3 Y HB2 . 15747 1 28 . 1 1 4 4 TYR HD1 H 1 7.090 0.05 . 3 . . . . 3 Y HD . 15747 1 29 . 1 1 4 4 TYR HD2 H 1 7.090 0.05 . 3 . . . . 3 Y HD . 15747 1 30 . 1 1 4 4 TYR HE1 H 1 6.822 0.05 . 3 . . . . 3 Y HE . 15747 1 31 . 1 1 4 4 TYR HE2 H 1 6.822 0.05 . 3 . . . . 3 Y HE . 15747 1 32 . 1 1 4 4 TYR CB C 13 37.538 0.5 . 1 . . . . 3 Y CB . 15747 1 33 . 1 1 4 4 TYR CD1 C 13 132.542 0.5 . 3 . . . . 3 Y CD# . 15747 1 34 . 1 1 4 4 TYR CD2 C 13 132.542 0.5 . 3 . . . . 3 Y CD# . 15747 1 35 . 1 1 4 4 TYR CE1 C 13 118.412 0.5 . 3 . . . . 3 Y CE# . 15747 1 36 . 1 1 4 4 TYR CE2 C 13 118.412 0.5 . 3 . . . . 3 Y CE# . 15747 1 37 . 1 1 5 5 MET H H 1 8.231 0.05 . 1 . . . . 4 M HN . 15747 1 38 . 1 1 5 5 MET HA H 1 4.260 0.05 . 1 . . . . 4 M HA . 15747 1 39 . 1 1 5 5 MET HB2 H 1 2.163 0.05 . 5 . . . . 4 M HB1 . 15747 1 40 . 1 1 5 5 MET HB3 H 1 2.123 0.05 . 2 . . . . 4 M HB2 . 15747 1 41 . 1 1 5 5 MET HG2 H 1 2.716 0.05 . 5 . . . . 4 M HG1 . 15747 1 42 . 1 1 5 5 MET HG3 H 1 2.603 0.05 . 2 . . . . 4 M HG2 . 15747 1 43 . 1 1 5 5 MET CB C 13 31.042 0.5 . 1 . . . . 4 M CB . 15747 1 44 . 1 1 5 5 MET CG C 13 32.279 0.5 . 1 . . . . 4 M CG . 15747 1 45 . 1 1 6 6 ALA H H 1 8.049 0.05 . 1 . . . . 5 A HN . 15747 1 46 . 1 1 6 6 ALA HA H 1 4.140 0.05 . 1 . . . . 5 A HA . 15747 1 47 . 1 1 6 6 ALA HB1 H 1 1.408 0.05 . 1 . . . . 5 A HB . 15747 1 48 . 1 1 6 6 ALA HB2 H 1 1.408 0.05 . 1 . . . . 5 A HB . 15747 1 49 . 1 1 6 6 ALA HB3 H 1 1.408 0.05 . 1 . . . . 5 A HB . 15747 1 50 . 1 1 6 6 ALA CA C 13 54.402 0.5 . 1 . . . . 5 A CA . 15747 1 51 . 1 1 6 6 ALA CB C 13 17.687 0.5 . 1 . . . . 5 A CB . 15747 1 52 . 1 1 7 7 TYR H H 1 7.732 0.05 . 1 . . . . 6 Y HN . 15747 1 53 . 1 1 7 7 TYR HA H 1 4.321 0.05 . 1 . . . . 6 Y HA . 15747 1 54 . 1 1 7 7 TYR HB2 H 1 3.337 0.05 . 1 . . . . 6 Y HB1 . 15747 1 55 . 1 1 7 7 TYR HB3 H 1 3.167 0.05 . 2 . . . . 6 Y HB2 . 15747 1 56 . 1 1 7 7 TYR HD1 H 1 7.156 0.05 . 3 . . . . 6 Y HD . 15747 1 57 . 1 1 7 7 TYR HD2 H 1 7.156 0.05 . 3 . . . . 6 Y HD . 15747 1 58 . 1 1 7 7 TYR HE1 H 1 6.798 0.05 . 3 . . . . 6 Y HE . 15747 1 59 . 1 1 7 7 TYR HE2 H 1 6.798 0.05 . 3 . . . . 6 Y HE . 15747 1 60 . 1 1 7 7 TYR CB C 13 38.168 0.5 . 1 . . . . 6 Y CB . 15747 1 61 . 1 1 7 7 TYR CD1 C 13 133.029 0.5 . 3 . . . . 6 Y CD# . 15747 1 62 . 1 1 7 7 TYR CD2 C 13 133.029 0.5 . 3 . . . . 6 Y CD# . 15747 1 63 . 1 1 7 7 TYR CE1 C 13 118.431 0.5 . 3 . . . . 6 Y CE# . 15747 1 64 . 1 1 7 7 TYR CE2 C 13 118.431 0.5 . 3 . . . . 6 Y CE# . 15747 1 65 . 1 1 8 8 LEU H H 1 7.975 0.05 . 1 . . . . 7 L HN . 15747 1 66 . 1 1 8 8 LEU HA H 1 4.039 0.05 . 1 . . . . 7 L HA . 15747 1 67 . 1 1 8 8 LEU HB2 H 1 1.889 0.05 . 2 . . . . 7 L HB . 15747 1 68 . 1 1 8 8 LEU HB3 H 1 1.889 0.05 . 2 . . . . 7 L HB . 15747 1 69 . 1 1 8 8 LEU HD11 H 1 0.973 0.05 . 2 . . . . 7 L HD1 . 15747 1 70 . 1 1 8 8 LEU HD12 H 1 0.973 0.05 . 2 . . . . 7 L HD1 . 15747 1 71 . 1 1 8 8 LEU HD13 H 1 0.973 0.05 . 2 . . . . 7 L HD1 . 15747 1 72 . 1 1 8 8 LEU HD21 H 1 0.928 0.05 . 2 . . . . 7 L HD2 . 15747 1 73 . 1 1 8 8 LEU HD22 H 1 0.928 0.05 . 2 . . . . 7 L HD2 . 15747 1 74 . 1 1 8 8 LEU HD23 H 1 0.928 0.05 . 2 . . . . 7 L HD2 . 15747 1 75 . 1 1 8 8 LEU HG H 1 1.652 0.05 . 1 . . . . 7 L HG . 15747 1 76 . 1 1 8 8 LEU CA C 13 58.149 0.5 . 1 . . . . 7 L CA . 15747 1 77 . 1 1 8 8 LEU CB C 13 41.440 0.5 . 1 . . . . 7 L CB . 15747 1 78 . 1 1 8 8 LEU CD1 C 13 24.858 0.5 . 2 . . . . 7 L CD1 . 15747 1 79 . 1 1 8 8 LEU CD2 C 13 23.623 0.5 . 2 . . . . 7 L CD2 . 15747 1 80 . 1 1 9 9 SER H H 1 8.192 0.05 . 1 . . . . 8 S HN . 15747 1 81 . 1 1 9 9 SER HA H 1 4.098 0.05 . 1 . . . . 8 S HA . 15747 1 82 . 1 1 9 9 SER HB2 H 1 3.986 0.05 . 1 . . . . 8 S HB1 . 15747 1 83 . 1 1 9 9 SER HB3 H 1 3.921 0.05 . 2 . . . . 8 S HB2 . 15747 1 84 . 1 1 9 9 SER CB C 13 62.866 0.5 . 1 . . . . 8 S CB . 15747 1 85 . 1 1 10 10 ALA H H 1 7.852 0.05 . 1 . . . . 9 A HN . 15747 1 86 . 1 1 10 10 ALA HA H 1 4.243 0.05 . 1 . . . . 9 A HA . 15747 1 87 . 1 1 10 10 ALA HB1 H 1 1.546 0.05 . 1 . . . . 9 A HB . 15747 1 88 . 1 1 10 10 ALA HB2 H 1 1.546 0.05 . 1 . . . . 9 A HB . 15747 1 89 . 1 1 10 10 ALA HB3 H 1 1.546 0.05 . 1 . . . . 9 A HB . 15747 1 90 . 1 1 10 10 ALA CA C 13 53.997 0.5 . 1 . . . . 9 A CA . 15747 1 91 . 1 1 10 10 ALA CB C 13 18.151 0.5 . 1 . . . . 9 A CB . 15747 1 92 . 1 1 11 11 GLU H H 1 7.938 0.05 . 1 . . . . 10 E HN . 15747 1 93 . 1 1 11 11 GLU HA H 1 4.435 0.05 . 1 . . . . 10 E HA . 15747 1 94 . 1 1 11 11 GLU HB2 H 1 2.189 0.05 . 1 . . . . 10 E HB1 . 15747 1 95 . 1 1 11 11 GLU HB3 H 1 1.918 0.05 . 2 . . . . 10 E HB2 . 15747 1 96 . 1 1 11 11 GLU HG2 H 1 2.412 0.05 . 2 . . . . 10 E HG . 15747 1 97 . 1 1 11 11 GLU HG3 H 1 2.412 0.05 . 2 . . . . 10 E HG . 15747 1 98 . 1 1 11 11 GLU CB C 13 28.547 0.5 . 1 . . . . 10 E CB . 15747 1 99 . 1 1 11 11 GLU CG C 13 32.671 0.5 . 1 . . . . 10 E CG . 15747 1 100 . 1 1 12 12 LEU H H 1 7.843 0.05 . 1 . . . . 11 L HN . 15747 1 101 . 1 1 12 12 LEU HA H 1 3.993 0.05 . 1 . . . . 11 L HA . 15747 1 102 . 1 1 12 12 LEU HB2 H 1 1.821 0.05 . 2 . . . . 11 L HB . 15747 1 103 . 1 1 12 12 LEU HB3 H 1 1.821 0.05 . 2 . . . . 11 L HB . 15747 1 104 . 1 1 12 12 LEU HD11 H 1 0.925 0.05 . 2 . . . . 11 L HD1 . 15747 1 105 . 1 1 12 12 LEU HD12 H 1 0.925 0.05 . 2 . . . . 11 L HD1 . 15747 1 106 . 1 1 12 12 LEU HD13 H 1 0.925 0.05 . 2 . . . . 11 L HD1 . 15747 1 107 . 1 1 12 12 LEU HD21 H 1 0.838 0.05 . 2 . . . . 11 L HD2 . 15747 1 108 . 1 1 12 12 LEU HD22 H 1 0.838 0.05 . 2 . . . . 11 L HD2 . 15747 1 109 . 1 1 12 12 LEU HD23 H 1 0.838 0.05 . 2 . . . . 11 L HD2 . 15747 1 110 . 1 1 12 12 LEU HG H 1 1.548 0.05 . 1 . . . . 11 L HG . 15747 1 111 . 1 1 12 12 LEU CA C 13 57.197 0.5 . 1 . . . . 11 L CA . 15747 1 112 . 1 1 12 12 LEU CD1 C 13 25.498 0.5 . 2 . . . . 11 L CD1 . 15747 1 113 . 1 1 12 12 LEU CD2 C 13 23.516 0.5 . 2 . . . . 11 L CD2 . 15747 1 114 . 1 1 13 13 PHE H H 1 7.997 0.05 . 1 . . . . 12 F HN . 15747 1 115 . 1 1 13 13 PHE HA H 1 4.419 0.05 . 1 . . . . 12 F HA . 15747 1 116 . 1 1 13 13 PHE HB2 H 1 3.140 0.05 . 1 . . . . 12 F HB1 . 15747 1 117 . 1 1 13 13 PHE HB3 H 1 3.118 0.05 . 2 . . . . 12 F HB2 . 15747 1 118 . 1 1 13 13 PHE HD1 H 1 7.205 0.05 . 3 . . . . 12 F HD1 . 15747 1 119 . 1 1 13 13 PHE HD2 H 1 7.188 0.05 . 3 . . . . 12 F HD2 . 15747 1 120 . 1 1 13 13 PHE HE1 H 1 7.257 0.05 . 3 . . . . 12 F HE . 15747 1 121 . 1 1 13 13 PHE HE2 H 1 7.257 0.05 . 3 . . . . 12 F HE . 15747 1 122 . 1 1 13 13 PHE CA C 13 56.191 0.5 . 1 . . . . 12 F CA . 15747 1 123 . 1 1 13 13 PHE CD1 C 13 131.837 0.5 . 3 . . . . 12 F CD# . 15747 1 124 . 1 1 13 13 PHE CD2 C 13 131.837 0.5 . 3 . . . . 12 F CD# . 15747 1 125 . 1 1 13 13 PHE CE1 C 13 131.249 0.5 . 3 . . . . 12 F CE# . 15747 1 126 . 1 1 13 13 PHE CE2 C 13 131.249 0.5 . 3 . . . . 12 F CE# . 15747 1 127 . 1 1 13 13 PHE CZ C 13 129.762 0.5 . 1 . . . . 12 F CZ . 15747 1 128 . 1 1 14 14 HIS H H 1 7.729 0.05 . 1 . . . . 13 H HN . 15747 1 129 . 1 1 14 14 HIS HA H 1 4.514 0.05 . 1 . . . . 13 H HA . 15747 1 130 . 1 1 14 14 HIS HB2 H 1 3.337 0.05 . 1 . . . . 13 H HB1 . 15747 1 131 . 1 1 14 14 HIS HB3 H 1 3.166 0.05 . 2 . . . . 13 H HB2 . 15747 1 132 . 1 1 14 14 HIS HD1 H 1 8.699 0.05 . 1 . . . . 13 H HD1 . 15747 1 133 . 1 1 14 14 HIS HD2 H 1 7.375 0.05 . 1 . . . . 13 H HD2 . 15747 1 134 . 1 1 14 14 HIS HE1 H 1 8.618 0.05 . 1 . . . . 13 H HE1 . 15747 1 135 . 1 1 14 14 HIS CB C 13 28.299 0.5 . 1 . . . . 13 H CB . 15747 1 136 . 1 1 14 14 HIS CE1 C 13 137.088 0.5 . 1 . . . . 13 H CE1 . 15747 1 137 . 1 1 15 15 LEU H H 1 8.282 0.05 . 1 . . . . 14 L HN . 15747 1 138 . 1 1 15 15 LEU HA H 1 4.260 0.05 . 1 . . . . 14 L HA . 15747 1 139 . 1 1 15 15 LEU HB2 H 1 1.881 0.05 . 2 . . . . 14 L HB . 15747 1 140 . 1 1 15 15 LEU HB3 H 1 1.881 0.05 . 2 . . . . 14 L HB . 15747 1 141 . 1 1 15 15 LEU HD11 H 1 0.946 0.05 . 2 . . . . 14 L HD1 . 15747 1 142 . 1 1 15 15 LEU HD12 H 1 0.946 0.05 . 2 . . . . 14 L HD1 . 15747 1 143 . 1 1 15 15 LEU HD13 H 1 0.946 0.05 . 2 . . . . 14 L HD1 . 15747 1 144 . 1 1 15 15 LEU HD21 H 1 0.875 0.05 . 2 . . . . 14 L HD2 . 15747 1 145 . 1 1 15 15 LEU HD22 H 1 0.875 0.05 . 2 . . . . 14 L HD2 . 15747 1 146 . 1 1 15 15 LEU HD23 H 1 0.875 0.05 . 2 . . . . 14 L HD2 . 15747 1 147 . 1 1 15 15 LEU HG H 1 1.709 0.05 . 1 . . . . 14 L HG . 15747 1 148 . 1 1 15 15 LEU CA C 13 57.746 0.5 . 1 . . . . 14 L CA . 15747 1 149 . 1 1 15 15 LEU CD2 C 13 23.308 0.5 . 2 . . . . 14 L CD2 . 15747 1 150 . 1 1 16 16 SER H H 1 7.789 0.05 . 1 . . . . 15 S HN . 15747 1 151 . 1 1 16 16 SER HA H 1 4.130 0.05 . 1 . . . . 15 S HA . 15747 1 152 . 1 1 16 16 SER HB2 H 1 3.947 0.05 . 2 . . . . 15 S HB . 15747 1 153 . 1 1 16 16 SER HB3 H 1 3.947 0.05 . 2 . . . . 15 S HB . 15747 1 154 . 1 1 16 16 SER CA C 13 61.040 0.5 . 1 . . . . 15 S CA . 15747 1 155 . 1 1 17 17 GLY H H 1 8.502 0.05 . 1 . . . . 16 G HN . 15747 1 156 . 1 1 17 17 GLY HA2 H 1 4.071 0.05 . 1 . . . . 16 G HA1 . 15747 1 157 . 1 1 17 17 GLY HA3 H 1 3.955 0.05 . 2 . . . . 16 G HA2 . 15747 1 158 . 1 1 17 17 GLY CA C 13 46.125 0.5 . 1 . . . . 16 G CA . 15747 1 159 . 1 1 18 18 ILE H H 1 7.923 0.05 . 1 . . . . 17 I HN . 15747 1 160 . 1 1 18 18 ILE HA H 1 3.933 0.05 . 1 . . . . 17 I HA . 15747 1 161 . 1 1 18 18 ILE HB H 1 2.040 0.05 . 1 . . . . 17 I HB . 15747 1 162 . 1 1 18 18 ILE HD11 H 1 0.891 0.05 . 1 . . . . 17 I HD1 . 15747 1 163 . 1 1 18 18 ILE HD12 H 1 0.891 0.05 . 1 . . . . 17 I HD1 . 15747 1 164 . 1 1 18 18 ILE HD13 H 1 0.891 0.05 . 1 . . . . 17 I HD1 . 15747 1 165 . 1 1 18 18 ILE HG12 H 1 1.646 0.05 . 1 . . . . 17 I HG11 . 15747 1 166 . 1 1 18 18 ILE HG13 H 1 1.272 0.05 . 2 . . . . 17 I HG12 . 15747 1 167 . 1 1 18 18 ILE HG21 H 1 0.959 0.05 . 1 . . . . 17 I HG2 . 15747 1 168 . 1 1 18 18 ILE HG22 H 1 0.959 0.05 . 1 . . . . 17 I HG2 . 15747 1 169 . 1 1 18 18 ILE HG23 H 1 0.959 0.05 . 1 . . . . 17 I HG2 . 15747 1 170 . 1 1 18 18 ILE CA C 13 63.494 0.5 . 1 . . . . 17 I CA . 15747 1 171 . 1 1 18 18 ILE CB C 13 37.430 0.5 . 1 . . . . 17 I CB . 15747 1 172 . 1 1 18 18 ILE CD1 C 13 12.882 0.5 . 1 . . . . 17 I CD1 . 15747 1 173 . 1 1 18 18 ILE CG1 C 13 28.506 0.5 . 1 . . . . 17 I CG1 . 15747 1 174 . 1 1 18 18 ILE CG2 C 13 17.342 0.5 . 1 . . . . 17 I CG2 . 15747 1 175 . 1 1 19 19 MET H H 1 8.379 0.05 . 1 . . . . 18 M HN . 15747 1 176 . 1 1 19 19 MET HA H 1 4.190 0.05 . 1 . . . . 18 M HA . 15747 1 177 . 1 1 19 19 MET HB2 H 1 2.164 0.05 . 1 . . . . 18 M HB1 . 15747 1 178 . 1 1 19 19 MET HB3 H 1 2.101 0.05 . 2 . . . . 18 M HB2 . 15747 1 179 . 1 1 19 19 MET HG2 H 1 2.710 0.05 . 1 . . . . 18 M HG1 . 15747 1 180 . 1 1 19 19 MET HG3 H 1 2.557 0.05 . 2 . . . . 18 M HG2 . 15747 1 181 . 1 1 19 19 MET CA C 13 58.093 0.5 . 1 . . . . 18 M CA . 15747 1 182 . 1 1 19 19 MET CB C 13 31.047 0.5 . 1 . . . . 18 M CB . 15747 1 183 . 1 1 19 19 MET CG C 13 32.278 0.5 . 1 . . . . 18 M CG . 15747 1 184 . 1 1 20 20 ALA H H 1 7.947 0.05 . 1 . . . . 19 A HN . 15747 1 185 . 1 1 20 20 ALA HA H 1 4.142 0.05 . 1 . . . . 19 A HA . 15747 1 186 . 1 1 20 20 ALA HB1 H 1 1.505 0.05 . 1 . . . . 19 A HB . 15747 1 187 . 1 1 20 20 ALA HB2 H 1 1.505 0.05 . 1 . . . . 19 A HB . 15747 1 188 . 1 1 20 20 ALA HB3 H 1 1.505 0.05 . 1 . . . . 19 A HB . 15747 1 189 . 1 1 20 20 ALA CA C 13 54.412 0.5 . 1 . . . . 19 A CA . 15747 1 190 . 1 1 20 20 ALA CB C 13 17.646 0.5 . 1 . . . . 19 A CB . 15747 1 191 . 1 1 21 21 LEU H H 1 7.629 0.05 . 1 . . . . 20 L HN . 15747 1 192 . 1 1 21 21 LEU HA H 1 4.158 0.05 . 1 . . . . 20 L HA . 15747 1 193 . 1 1 21 21 LEU HB2 H 1 1.766 0.05 . 1 . . . . 20 L HB1 . 15747 1 194 . 1 1 21 21 LEU HB3 H 1 1.727 0.05 . 2 . . . . 20 L HB2 . 15747 1 195 . 1 1 21 21 LEU HD11 H 1 0.936 0.05 . 2 . . . . 20 L HD1 . 15747 1 196 . 1 1 21 21 LEU HD12 H 1 0.936 0.05 . 2 . . . . 20 L HD1 . 15747 1 197 . 1 1 21 21 LEU HD13 H 1 0.936 0.05 . 2 . . . . 20 L HD1 . 15747 1 198 . 1 1 21 21 LEU HD21 H 1 0.900 0.05 . 2 . . . . 20 L HD2 . 15747 1 199 . 1 1 21 21 LEU HD22 H 1 0.900 0.05 . 2 . . . . 20 L HD2 . 15747 1 200 . 1 1 21 21 LEU HD23 H 1 0.900 0.05 . 2 . . . . 20 L HD2 . 15747 1 201 . 1 1 21 21 LEU HG H 1 1.929 0.05 . 1 . . . . 20 L HG . 15747 1 202 . 1 1 21 21 LEU CA C 13 57.253 0.5 . 1 . . . . 20 L CA . 15747 1 203 . 1 1 21 21 LEU CB C 13 41.590 0.5 . 1 . . . . 20 L CB . 15747 1 204 . 1 1 21 21 LEU CD1 C 13 24.668 0.5 . 2 . . . . 20 L CD1 . 15747 1 205 . 1 1 21 21 LEU CD2 C 13 23.855 0.5 . 2 . . . . 20 L CD2 . 15747 1 206 . 1 1 21 21 LEU CG C 13 28.577 0.5 . 1 . . . . 20 L CG . 15747 1 207 . 1 1 22 22 ILE H H 1 8.066 0.05 . 1 . . . . 21 I HN . 15747 1 208 . 1 1 22 22 ILE HA H 1 3.762 0.05 . 1 . . . . 21 I HA . 15747 1 209 . 1 1 22 22 ILE HB H 1 2.003 0.05 . 1 . . . . 21 I HB . 15747 1 210 . 1 1 22 22 ILE HD11 H 1 0.854 0.05 . 1 . . . . 21 I HD1 . 15747 1 211 . 1 1 22 22 ILE HD12 H 1 0.854 0.05 . 1 . . . . 21 I HD1 . 15747 1 212 . 1 1 22 22 ILE HD13 H 1 0.854 0.05 . 1 . . . . 21 I HD1 . 15747 1 213 . 1 1 22 22 ILE HG12 H 1 1.802 0.05 . 1 . . . . 21 I HG11 . 15747 1 214 . 1 1 22 22 ILE HG13 H 1 1.115 0.05 . 2 . . . . 21 I HG12 . 15747 1 215 . 1 1 22 22 ILE HG21 H 1 0.905 0.05 . 1 . . . . 21 I HG2 . 15747 1 216 . 1 1 22 22 ILE HG22 H 1 0.905 0.05 . 1 . . . . 21 I HG2 . 15747 1 217 . 1 1 22 22 ILE HG23 H 1 0.905 0.05 . 1 . . . . 21 I HG2 . 15747 1 218 . 1 1 22 22 ILE CA C 13 64.195 0.5 . 1 . . . . 21 I CA . 15747 1 219 . 1 1 22 22 ILE CB C 13 37.651 0.5 . 1 . . . . 21 I CB . 15747 1 220 . 1 1 22 22 ILE CD1 C 13 13.238 0.5 . 1 . . . . 21 I CD1 . 15747 1 221 . 1 1 22 22 ILE CG1 C 13 28.364 0.5 . 1 . . . . 21 I CG1 . 15747 1 222 . 1 1 22 22 ILE CG2 C 13 17.107 0.5 . 1 . . . . 21 I CG2 . 15747 1 223 . 1 1 23 23 ALA H H 1 8.286 0.05 . 1 . . . . 22 A HN . 15747 1 224 . 1 1 23 23 ALA HA H 1 4.116 0.05 . 1 . . . . 22 A HA . 15747 1 225 . 1 1 23 23 ALA HB1 H 1 1.494 0.05 . 1 . . . . 22 A HB . 15747 1 226 . 1 1 23 23 ALA HB2 H 1 1.494 0.05 . 1 . . . . 22 A HB . 15747 1 227 . 1 1 23 23 ALA HB3 H 1 1.494 0.05 . 1 . . . . 22 A HB . 15747 1 228 . 1 1 23 23 ALA CA C 13 54.158 0.5 . 1 . . . . 22 A CA . 15747 1 229 . 1 1 23 23 ALA CB C 13 18.189 0.5 . 1 . . . . 22 A CB . 15747 1 230 . 1 1 24 24 SER H H 1 7.839 0.05 . 1 . . . . 23 S HN . 15747 1 231 . 1 1 24 24 SER HA H 1 4.332 0.05 . 1 . . . . 23 S HA . 15747 1 232 . 1 1 24 24 SER HB2 H 1 4.019 0.05 . 1 . . . . 23 S HB1 . 15747 1 233 . 1 1 24 24 SER HB3 H 1 3.998 0.05 . 2 . . . . 23 S HB2 . 15747 1 234 . 1 1 24 24 SER CA C 13 59.964 0.5 . 1 . . . . 23 S CA . 15747 1 235 . 1 1 24 24 SER CB C 13 62.414 0.5 . 1 . . . . 23 S CB . 15747 1 236 . 1 1 25 25 GLY H H 1 8.059 0.05 . 1 . . . . 24 G HN . 15747 1 237 . 1 1 25 25 GLY HA2 H 1 4.005 0.05 . 1 . . . . 24 G HA1 . 15747 1 238 . 1 1 25 25 GLY HA3 H 1 3.932 0.05 . 2 . . . . 24 G HA2 . 15747 1 239 . 1 1 25 25 GLY CA C 13 45.582 0.5 . 1 . . . . 24 G CA . 15747 1 240 . 1 1 26 26 VAL H H 1 7.791 0.05 . 1 . . . . 25 V HN . 15747 1 241 . 1 1 26 26 VAL HA H 1 4.028 0.05 . 1 . . . . 25 V HA . 15747 1 242 . 1 1 26 26 VAL HB H 1 2.177 0.05 . 1 . . . . 25 V HB . 15747 1 243 . 1 1 26 26 VAL HG11 H 1 0.980 0.05 . 2 . . . . 25 V HG1 . 15747 1 244 . 1 1 26 26 VAL HG12 H 1 0.980 0.05 . 2 . . . . 25 V HG1 . 15747 1 245 . 1 1 26 26 VAL HG13 H 1 0.980 0.05 . 2 . . . . 25 V HG1 . 15747 1 246 . 1 1 26 26 VAL HG21 H 1 0.940 0.05 . 2 . . . . 25 V HG2 . 15747 1 247 . 1 1 26 26 VAL HG22 H 1 0.940 0.05 . 2 . . . . 25 V HG2 . 15747 1 248 . 1 1 26 26 VAL HG23 H 1 0.940 0.05 . 2 . . . . 25 V HG2 . 15747 1 249 . 1 1 26 26 VAL CA C 13 63.240 0.5 . 1 . . . . 25 V CA . 15747 1 250 . 1 1 26 26 VAL CB C 13 32.014 0.5 . 1 . . . . 25 V CB . 15747 1 251 . 1 1 26 26 VAL CG1 C 13 20.891 0.5 . 2 . . . . 25 V CG1 . 15747 1 252 . 1 1 26 26 VAL CG2 C 13 21.055 0.5 . 2 . . . . 25 V CG2 . 15747 1 253 . 1 1 27 27 VAL H H 1 7.811 0.05 . 1 . . . . 26 V HN . 15747 1 254 . 1 1 27 27 VAL HA H 1 4.061 0.05 . 1 . . . . 26 V HA . 15747 1 255 . 1 1 27 27 VAL HB H 1 2.137 0.05 . 1 . . . . 26 V HB . 15747 1 256 . 1 1 27 27 VAL HG11 H 1 0.951 0.05 . 2 . . . . 26 V HG1 . 15747 1 257 . 1 1 27 27 VAL HG12 H 1 0.951 0.05 . 2 . . . . 26 V HG1 . 15747 1 258 . 1 1 27 27 VAL HG13 H 1 0.951 0.05 . 2 . . . . 26 V HG1 . 15747 1 259 . 1 1 27 27 VAL HG21 H 1 0.938 0.05 . 2 . . . . 26 V HG2 . 15747 1 260 . 1 1 27 27 VAL HG22 H 1 0.938 0.05 . 2 . . . . 26 V HG2 . 15747 1 261 . 1 1 27 27 VAL HG23 H 1 0.938 0.05 . 2 . . . . 26 V HG2 . 15747 1 262 . 1 1 27 27 VAL CA C 13 62.455 0.5 . 1 . . . . 26 V CA . 15747 1 263 . 1 1 27 27 VAL CB C 13 32.009 0.5 . 1 . . . . 26 V CB . 15747 1 264 . 1 1 27 27 VAL CG2 C 13 21.055 0.5 . 2 . . . . 26 V CG2 . 15747 1 265 . 1 1 28 28 MET H H 1 8.111 0.05 . 1 . . . . 27 M HN . 15747 1 266 . 1 1 28 28 MET HA H 1 4.478 0.05 . 1 . . . . 27 M HA . 15747 1 267 . 1 1 28 28 MET HB2 H 1 2.093 0.05 . 1 . . . . 27 M HB1 . 15747 1 268 . 1 1 28 28 MET HB3 H 1 2.032 0.05 . 2 . . . . 27 M HB2 . 15747 1 269 . 1 1 28 28 MET HG2 H 1 2.581 0.05 . 1 . . . . 27 M HG1 . 15747 1 270 . 1 1 28 28 MET HG3 H 1 2.514 0.05 . 2 . . . . 27 M HG2 . 15747 1 271 . 1 1 28 28 MET CA C 13 54.779 0.5 . 1 . . . . 27 M CA . 15747 1 272 . 1 1 28 28 MET CB C 13 32.677 0.5 . 1 . . . . 27 M CB . 15747 1 273 . 1 1 28 28 MET CG C 13 31.800 0.5 . 1 . . . . 27 M CG . 15747 1 274 . 1 1 29 29 ARG H H 1 8.122 0.05 . 1 . . . . 28 R HN . 15747 1 275 . 1 1 29 29 ARG HA H 1 4.534 0.05 . 1 . . . . 28 R HA . 15747 1 276 . 1 1 29 29 ARG HB2 H 1 1.847 0.05 . 1 . . . . 28 R HB1 . 15747 1 277 . 1 1 29 29 ARG HB3 H 1 1.764 0.05 . 2 . . . . 28 R HB2 . 15747 1 278 . 1 1 29 29 ARG HD2 H 1 3.219 0.05 . 1 . . . . 28 R HD1 . 15747 1 279 . 1 1 29 29 ARG HD3 H 1 3.201 0.05 . 2 . . . . 28 R HD2 . 15747 1 280 . 1 1 29 29 ARG HE H 1 7.454 0.05 . 1 . . . . 28 R HE . 15747 1 281 . 1 1 29 29 ARG HG2 H 1 1.679 0.05 . 2 . . . . 28 R HG . 15747 1 282 . 1 1 29 29 ARG HG3 H 1 1.679 0.05 . 2 . . . . 28 R HG . 15747 1 283 . 1 1 29 29 ARG CA C 13 53.784 0.5 . 1 . . . . 28 R CA . 15747 1 284 . 1 1 29 29 ARG CB C 13 29.643 0.5 . 1 . . . . 28 R CB . 15747 1 285 . 1 1 29 29 ARG CD C 13 43.068 0.5 . 1 . . . . 28 R CD . 15747 1 286 . 1 1 29 29 ARG CG C 13 26.624 0.5 . 1 . . . . 28 R CG . 15747 1 287 . 1 1 30 30 PRO HA H 1 4.422 0.05 . 1 . . . . 29 P HA . 15747 1 288 . 1 1 30 30 PRO HB2 H 1 2.297 0.05 . 1 . . . . 29 P HB1 . 15747 1 289 . 1 1 30 30 PRO HB3 H 1 1.885 0.05 . 2 . . . . 29 P HB2 . 15747 1 290 . 1 1 30 30 PRO HD2 H 1 3.789 0.05 . 1 . . . . 29 P HD1 . 15747 1 291 . 1 1 30 30 PRO HD3 H 1 3.634 0.05 . 2 . . . . 29 P HD2 . 15747 1 292 . 1 1 30 30 PRO HG2 H 1 2.034 0.05 . 1 . . . . 29 P HG1 . 15747 1 293 . 1 1 30 30 PRO HG3 H 1 1.992 0.05 . 2 . . . . 29 P HG2 . 15747 1 294 . 1 1 30 30 PRO CA C 13 62.686 0.5 . 1 . . . . 29 P CA . 15747 1 295 . 1 1 30 30 PRO CB C 13 31.694 0.5 . 1 . . . . 29 P CB . 15747 1 296 . 1 1 30 30 PRO CD C 13 50.130 0.5 . 1 . . . . 29 P CD . 15747 1 297 . 1 1 30 30 PRO CG C 13 27.027 0.5 . 1 . . . . 29 P CG . 15747 1 298 . 1 1 31 31 LYS H H 1 8.463 0.05 . 1 . . . . 30 K HN . 15747 1 299 . 1 1 31 31 LYS HA H 1 4.273 0.05 . 1 . . . . 30 K HA . 15747 1 300 . 1 1 31 31 LYS HB2 H 1 1.820 0.05 . 1 . . . . 30 K HB1 . 15747 1 301 . 1 1 31 31 LYS HB3 H 1 1.754 0.05 . 2 . . . . 30 K HB2 . 15747 1 302 . 1 1 31 31 LYS HD2 H 1 1.682 0.05 . 2 . . . . 30 K HD . 15747 1 303 . 1 1 31 31 LYS HD3 H 1 1.682 0.05 . 2 . . . . 30 K HD . 15747 1 304 . 1 1 31 31 LYS HE2 H 1 2.994 0.05 . 2 . . . . 30 K HE . 15747 1 305 . 1 1 31 31 LYS HE3 H 1 2.994 0.05 . 2 . . . . 30 K HE . 15747 1 306 . 1 1 31 31 LYS HG2 H 1 1.469 0.05 . 1 . . . . 30 K HG1 . 15747 1 307 . 1 1 31 31 LYS HG3 H 1 1.429 0.05 . 2 . . . . 30 K HG2 . 15747 1 308 . 1 1 31 31 LYS HZ1 H 1 7.559 0.05 . 1 . . . . 30 K HZ . 15747 1 309 . 1 1 31 31 LYS HZ2 H 1 7.559 0.05 . 1 . . . . 30 K HZ . 15747 1 310 . 1 1 31 31 LYS HZ3 H 1 7.559 0.05 . 1 . . . . 30 K HZ . 15747 1 311 . 1 1 31 31 LYS CA C 13 55.725 0.5 . 1 . . . . 30 K CA . 15747 1 312 . 1 1 31 31 LYS CB C 13 32.692 0.5 . 1 . . . . 30 K CB . 15747 1 313 . 1 1 31 31 LYS CD C 13 28.657 0.5 . 1 . . . . 30 K CD . 15747 1 314 . 1 1 31 31 LYS CE C 13 41.697 0.5 . 1 . . . . 30 K CE . 15747 1 315 . 1 1 31 31 LYS CG C 13 24.309 0.5 . 1 . . . . 30 K CG . 15747 1 316 . 1 1 32 32 LYS H H 1 8.301 0.05 . 1 . . . . 31 K HN . 15747 1 317 . 1 1 32 32 LYS HA H 1 4.266 0.05 . 1 . . . . 31 K HA . 15747 1 318 . 1 1 32 32 LYS HB2 H 1 1.819 0.05 . 1 . . . . 31 K HB1 . 15747 1 319 . 1 1 32 32 LYS HB3 H 1 1.750 0.05 . 2 . . . . 31 K HB2 . 15747 1 320 . 1 1 32 32 LYS HD2 H 1 1.678 0.05 . 2 . . . . 31 K HD . 15747 1 321 . 1 1 32 32 LYS HD3 H 1 1.678 0.05 . 2 . . . . 31 K HD . 15747 1 322 . 1 1 32 32 LYS HE2 H 1 2.977 0.05 . 2 . . . . 31 K HE . 15747 1 323 . 1 1 32 32 LYS HE3 H 1 2.977 0.05 . 2 . . . . 31 K HE . 15747 1 324 . 1 1 32 32 LYS HG2 H 1 1.452 0.05 . 1 . . . . 31 K HG1 . 15747 1 325 . 1 1 32 32 LYS HG3 H 1 1.404 0.05 . 2 . . . . 31 K HG2 . 15747 1 326 . 1 1 32 32 LYS HZ1 H 1 7.559 0.05 . 1 . . . . 31 K HZ . 15747 1 327 . 1 1 32 32 LYS HZ2 H 1 7.559 0.05 . 1 . . . . 31 K HZ . 15747 1 328 . 1 1 32 32 LYS HZ3 H 1 7.559 0.05 . 1 . . . . 31 K HZ . 15747 1 329 . 1 1 32 32 LYS CA C 13 55.725 0.5 . 1 . . . . 31 K CA . 15747 1 330 . 1 1 32 32 LYS CB C 13 32.692 0.5 . 1 . . . . 31 K CB . 15747 1 331 . 1 1 32 32 LYS CD C 13 28.657 0.5 . 1 . . . . 31 K CD . 15747 1 332 . 1 1 32 32 LYS CE C 13 41.702 0.5 . 1 . . . . 31 K CE . 15747 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 39 15747 1 1 41 15747 1 stop_ save_