################################### # 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 19922 _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-15N HSQC' . . . 19922 1 4 '3D HNCA' . . . 19922 1 5 '3D HNCACB' . . . 19922 1 7 HN(CA)CO . . . 19922 1 6 '3D HN(CO)CA' . . . 19922 1 2 '3D HN(CO)CACB' . . . 19922 1 3 '3D HNCO' . . . 19922 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 $CARA . . 19922 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 MET C C 13 172.5 0.1 . 1 . . . . 1 MET C . 19922 1 2 . 1 1 1 1 MET CA C 13 55.2 0.1 . 1 . . . . 1 MET CA . 19922 1 3 . 1 1 1 1 MET CB C 13 33.7 0.1 . 1 . . . . 1 MET CB . 19922 1 4 . 1 1 2 2 ARG H H 1 8.63 0.01 . 1 . . . . 2 ARG H . 19922 1 5 . 1 1 2 2 ARG C C 13 173.2 0.1 . 1 . . . . 2 ARG C . 19922 1 6 . 1 1 2 2 ARG CA C 13 55.7 0.1 . 1 . . . . 2 ARG CA . 19922 1 7 . 1 1 2 2 ARG CB C 13 34.2 0.1 . 1 . . . . 2 ARG CB . 19922 1 8 . 1 1 2 2 ARG N N 15 122.6 0.1 . 1 . . . . 2 ARG N . 19922 1 9 . 1 1 3 3 LYS H H 1 8.80 0.01 . 1 . . . . 3 LYS H . 19922 1 10 . 1 1 3 3 LYS C C 13 175.9 0.1 . 1 . . . . 3 LYS C . 19922 1 11 . 1 1 3 3 LYS CA C 13 55.1 0.1 . 1 . . . . 3 LYS CA . 19922 1 12 . 1 1 3 3 LYS CB C 13 35.0 0.1 . 1 . . . . 3 LYS CB . 19922 1 13 . 1 1 3 3 LYS N N 15 127.6 0.1 . 1 . . . . 3 LYS N . 19922 1 14 . 1 1 4 4 VAL H H 1 9.15 0.01 . 1 . . . . 4 VAL H . 19922 1 15 . 1 1 4 4 VAL C C 13 173.5 0.1 . 1 . . . . 4 VAL C . 19922 1 16 . 1 1 4 4 VAL CA C 13 59.4 0.1 . 1 . . . . 4 VAL CA . 19922 1 17 . 1 1 4 4 VAL CB C 13 33.7 0.1 . 1 . . . . 4 VAL CB . 19922 1 18 . 1 1 4 4 VAL N N 15 117.0 0.1 . 1 . . . . 4 VAL N . 19922 1 19 . 1 1 5 5 PHE H H 1 9.03 0.01 . 1 . . . . 5 PHE H . 19922 1 20 . 1 1 5 5 PHE C C 13 173.9 0.1 . 1 . . . . 5 PHE C . 19922 1 21 . 1 1 5 5 PHE CA C 13 57.1 0.1 . 1 . . . . 5 PHE CA . 19922 1 22 . 1 1 5 5 PHE CB C 13 41.2 0.1 . 1 . . . . 5 PHE CB . 19922 1 23 . 1 1 5 5 PHE N N 15 123.0 0.1 . 1 . . . . 5 PHE N . 19922 1 24 . 1 1 6 6 VAL H H 1 8.89 0.01 . 1 . . . . 6 VAL H . 19922 1 25 . 1 1 6 6 VAL C C 13 174.8 0.1 . 1 . . . . 6 VAL C . 19922 1 26 . 1 1 6 6 VAL CA C 13 60.9 0.1 . 1 . . . . 6 VAL CA . 19922 1 27 . 1 1 6 6 VAL CB C 13 32.1 0.1 . 1 . . . . 6 VAL CB . 19922 1 28 . 1 1 6 6 VAL N N 15 126.7 0.1 . 1 . . . . 6 VAL N . 19922 1 29 . 1 1 7 7 GLY H H 1 9.37 0.01 . 1 . . . . 7 GLY H . 19922 1 30 . 1 1 7 7 GLY C C 13 173.5 0.1 . 1 . . . . 7 GLY C . 19922 1 31 . 1 1 7 7 GLY CA C 13 44.2 0.1 . 1 . . . . 7 GLY CA . 19922 1 32 . 1 1 7 7 GLY N N 15 113.2 0.1 . 1 . . . . 7 GLY N . 19922 1 33 . 1 1 8 8 ARG H H 1 8.31 0.01 . 1 . . . . 8 ARG H . 19922 1 34 . 1 1 8 8 ARG C C 13 176.4 0.1 . 1 . . . . 8 ARG C . 19922 1 35 . 1 1 8 8 ARG CA C 13 58.2 0.1 . 1 . . . . 8 ARG CA . 19922 1 36 . 1 1 8 8 ARG CB C 13 28.3 0.1 . 1 . . . . 8 ARG CB . 19922 1 37 . 1 1 8 8 ARG N N 15 111.4 0.1 . 1 . . . . 8 ARG N . 19922 1 38 . 1 1 9 9 CYS H H 1 7.17 0.01 . 1 . . . . 9 CYS H . 19922 1 39 . 1 1 9 9 CYS C C 13 174.8 0.1 . 1 . . . . 9 CYS C . 19922 1 40 . 1 1 9 9 CYS CA C 13 60.6 0.1 . 1 . . . . 9 CYS CA . 19922 1 41 . 1 1 9 9 CYS CB C 13 28.4 0.1 . 1 . . . . 9 CYS CB . 19922 1 42 . 1 1 9 9 CYS N N 15 113.6 0.1 . 1 . . . . 9 CYS N . 19922 1 43 . 1 1 10 10 THR H H 1 7.75 0.01 . 1 . . . . 10 THR H . 19922 1 44 . 1 1 10 10 THR C C 13 177.2 0.1 . 1 . . . . 10 THR C . 19922 1 45 . 1 1 10 10 THR CA C 13 60.2 0.1 . 1 . . . . 10 THR CA . 19922 1 46 . 1 1 10 10 THR CB C 13 70.6 0.1 . 1 . . . . 10 THR CB . 19922 1 47 . 1 1 10 10 THR N N 15 110.0 0.1 . 1 . . . . 10 THR N . 19922 1 48 . 1 1 11 11 GLU H H 1 9.03 0.01 . 1 . . . . 11 GLU H . 19922 1 49 . 1 1 11 11 GLU C C 13 175.5 0.1 . 1 . . . . 11 GLU C . 19922 1 50 . 1 1 11 11 GLU CA C 13 58.7 0.1 . 1 . . . . 11 GLU CA . 19922 1 51 . 1 1 11 11 GLU CB C 13 29.3 0.1 . 1 . . . . 11 GLU CB . 19922 1 52 . 1 1 11 11 GLU N N 15 121.9 0.1 . 1 . . . . 11 GLU N . 19922 1 53 . 1 1 12 12 ASP H H 1 8.03 0.01 . 1 . . . . 12 ASP H . 19922 1 54 . 1 1 12 12 ASP C C 13 175.9 0.1 . 1 . . . . 12 ASP C . 19922 1 55 . 1 1 12 12 ASP CA C 13 53.5 0.1 . 1 . . . . 12 ASP CA . 19922 1 56 . 1 1 12 12 ASP CB C 13 40.9 0.1 . 1 . . . . 12 ASP CB . 19922 1 57 . 1 1 12 12 ASP N N 15 113.7 0.1 . 1 . . . . 12 ASP N . 19922 1 58 . 1 1 13 13 MET H H 1 7.17 0.01 . 1 . . . . 13 MET H . 19922 1 59 . 1 1 13 13 MET C C 13 175.5 0.1 . 1 . . . . 13 MET C . 19922 1 60 . 1 1 13 13 MET CA C 13 56.4 0.1 . 1 . . . . 13 MET CA . 19922 1 61 . 1 1 13 13 MET CB C 13 32.4 0.1 . 1 . . . . 13 MET CB . 19922 1 62 . 1 1 13 13 MET N N 15 119.9 0.1 . 1 . . . . 13 MET N . 19922 1 63 . 1 1 14 14 THR H H 1 8.16 0.01 . 1 . . . . 14 THR H . 19922 1 64 . 1 1 14 14 THR C C 13 175.2 0.1 . 1 . . . . 14 THR C . 19922 1 65 . 1 1 14 14 THR CA C 13 59.6 0.1 . 1 . . . . 14 THR CA . 19922 1 66 . 1 1 14 14 THR CB C 13 71.6 0.1 . 1 . . . . 14 THR CB . 19922 1 67 . 1 1 14 14 THR N N 15 113.5 0.1 . 1 . . . . 14 THR N . 19922 1 68 . 1 1 15 15 GLU H H 1 9.63 0.01 . 1 . . . . 15 GLU H . 19922 1 69 . 1 1 15 15 GLU C C 13 178.8 0.1 . 1 . . . . 15 GLU C . 19922 1 70 . 1 1 15 15 GLU CA C 13 61.1 0.1 . 1 . . . . 15 GLU CA . 19922 1 71 . 1 1 15 15 GLU CB C 13 28.9 0.1 . 1 . . . . 15 GLU CB . 19922 1 72 . 1 1 15 15 GLU N N 15 121.2 0.1 . 1 . . . . 15 GLU N . 19922 1 73 . 1 1 16 16 ASP H H 1 8.36 0.01 . 1 . . . . 16 ASP H . 19922 1 74 . 1 1 16 16 ASP C C 13 178.9 0.1 . 1 . . . . 16 ASP C . 19922 1 75 . 1 1 16 16 ASP CA C 13 57.4 0.1 . 1 . . . . 16 ASP CA . 19922 1 76 . 1 1 16 16 ASP CB C 13 40.6 0.1 . 1 . . . . 16 ASP CB . 19922 1 77 . 1 1 16 16 ASP N N 15 117.1 0.1 . 1 . . . . 16 ASP N . 19922 1 78 . 1 1 17 17 GLU H H 1 7.87 0.01 . 1 . . . . 17 GLU H . 19922 1 79 . 1 1 17 17 GLU C C 13 180.8 0.1 . 1 . . . . 17 GLU C . 19922 1 80 . 1 1 17 17 GLU CA C 13 59.1 0.1 . 1 . . . . 17 GLU CA . 19922 1 81 . 1 1 17 17 GLU CB C 13 29.7 0.1 . 1 . . . . 17 GLU CB . 19922 1 82 . 1 1 17 17 GLU N N 15 121.0 0.1 . 1 . . . . 17 GLU N . 19922 1 83 . 1 1 18 18 LEU H H 1 8.25 0.01 . 1 . . . . 18 LEU H . 19922 1 84 . 1 1 18 18 LEU C C 13 178.8 0.1 . 1 . . . . 18 LEU C . 19922 1 85 . 1 1 18 18 LEU CA C 13 58.6 0.1 . 1 . . . . 18 LEU CA . 19922 1 86 . 1 1 18 18 LEU CB C 13 42.4 0.1 . 1 . . . . 18 LEU CB . 19922 1 87 . 1 1 18 18 LEU N N 15 119.9 0.1 . 1 . . . . 18 LEU N . 19922 1 88 . 1 1 19 19 ARG H H 1 8.97 0.01 . 1 . . . . 19 ARG H . 19922 1 89 . 1 1 19 19 ARG C C 13 179.0 0.1 . 1 . . . . 19 ARG C . 19922 1 90 . 1 1 19 19 ARG CA C 13 60.9 0.1 . 1 . . . . 19 ARG CA . 19922 1 91 . 1 1 19 19 ARG CB C 13 30.3 0.1 . 1 . . . . 19 ARG CB . 19922 1 92 . 1 1 19 19 ARG N N 15 121.4 0.1 . 1 . . . . 19 ARG N . 19922 1 93 . 1 1 20 20 GLU H H 1 8.44 0.01 . 1 . . . . 20 GLU H . 19922 1 94 . 1 1 20 20 GLU C C 13 179.0 0.1 . 1 . . . . 20 GLU C . 19922 1 95 . 1 1 20 20 GLU CA C 13 59.6 0.1 . 1 . . . . 20 GLU CA . 19922 1 96 . 1 1 20 20 GLU CB C 13 29.7 0.1 . 1 . . . . 20 GLU CB . 19922 1 97 . 1 1 20 20 GLU N N 15 120.2 0.1 . 1 . . . . 20 GLU N . 19922 1 98 . 1 1 21 21 PHE H H 1 8.17 0.01 . 1 . . . . 21 PHE H . 19922 1 99 . 1 1 21 21 PHE C C 13 178.7 0.1 . 1 . . . . 21 PHE C . 19922 1 100 . 1 1 21 21 PHE CA C 13 62.3 0.1 . 1 . . . . 21 PHE CA . 19922 1 101 . 1 1 21 21 PHE CB C 13 39.5 0.1 . 1 . . . . 21 PHE CB . 19922 1 102 . 1 1 21 21 PHE N N 15 119.4 0.1 . 1 . . . . 21 PHE N . 19922 1 103 . 1 1 22 22 PHE H H 1 8.99 0.01 . 1 . . . . 22 PHE H . 19922 1 104 . 1 1 22 22 PHE C C 13 177.5 0.1 . 1 . . . . 22 PHE C . 19922 1 105 . 1 1 22 22 PHE CA C 13 63.4 0.1 . 1 . . . . 22 PHE CA . 19922 1 106 . 1 1 22 22 PHE CB C 13 38.4 0.1 . 1 . . . . 22 PHE CB . 19922 1 107 . 1 1 22 22 PHE N N 15 115.7 0.1 . 1 . . . . 22 PHE N . 19922 1 108 . 1 1 23 23 SER H H 1 8.27 0.01 . 1 . . . . 23 SER H . 19922 1 109 . 1 1 23 23 SER C C 13 175.1 0.1 . 1 . . . . 23 SER C . 19922 1 110 . 1 1 23 23 SER CA C 13 61.3 0.1 . 1 . . . . 23 SER CA . 19922 1 111 . 1 1 23 23 SER CB C 13 63.1 0.1 . 1 . . . . 23 SER CB . 19922 1 112 . 1 1 23 23 SER N N 15 116.6 0.1 . 1 . . . . 23 SER N . 19922 1 113 . 1 1 24 24 GLN H H 1 7.12 0.01 . 1 . . . . 24 GLN H . 19922 1 114 . 1 1 24 24 GLN C C 13 176.4 0.1 . 1 . . . . 24 GLN C . 19922 1 115 . 1 1 24 24 GLN CA C 13 57.5 0.1 . 1 . . . . 24 GLN CA . 19922 1 116 . 1 1 24 24 GLN CB C 13 29.3 0.1 . 1 . . . . 24 GLN CB . 19922 1 117 . 1 1 24 24 GLN N N 15 117.8 0.1 . 1 . . . . 24 GLN N . 19922 1 118 . 1 1 25 25 TYR H H 1 7.88 0.01 . 1 . . . . 25 TYR H . 19922 1 119 . 1 1 25 25 TYR C C 13 175.8 0.1 . 1 . . . . 25 TYR C . 19922 1 120 . 1 1 25 25 TYR CA C 13 59.6 0.1 . 1 . . . . 25 TYR CA . 19922 1 121 . 1 1 25 25 TYR CB C 13 39.1 0.1 . 1 . . . . 25 TYR CB . 19922 1 122 . 1 1 25 25 TYR N N 15 117.3 0.1 . 1 . . . . 25 TYR N . 19922 1 123 . 1 1 26 26 GLY H H 1 7.61 0.01 . 1 . . . . 26 GLY H . 19922 1 124 . 1 1 26 26 GLY C C 13 170.3 0.1 . 1 . . . . 26 GLY C . 19922 1 125 . 1 1 26 26 GLY CA C 13 44.9 0.1 . 1 . . . . 26 GLY CA . 19922 1 126 . 1 1 26 26 GLY N N 15 104.8 0.1 . 1 . . . . 26 GLY N . 19922 1 127 . 1 1 27 27 ASP H H 1 8.15 0.01 . 1 . . . . 27 ASP H . 19922 1 128 . 1 1 27 27 ASP C C 13 176.9 0.1 . 1 . . . . 27 ASP C . 19922 1 129 . 1 1 27 27 ASP CA C 13 55.8 0.1 . 1 . . . . 27 ASP CA . 19922 1 130 . 1 1 27 27 ASP CB C 13 40.9 0.1 . 1 . . . . 27 ASP CB . 19922 1 131 . 1 1 27 27 ASP N N 15 116.4 0.1 . 1 . . . . 27 ASP N . 19922 1 132 . 1 1 28 28 VAL H H 1 9.12 0.01 . 1 . . . . 28 VAL H . 19922 1 133 . 1 1 28 28 VAL C C 13 176.0 0.1 . 1 . . . . 28 VAL C . 19922 1 134 . 1 1 28 28 VAL CA C 13 61.9 0.1 . 1 . . . . 28 VAL CA . 19922 1 135 . 1 1 28 28 VAL CB C 13 33.5 0.1 . 1 . . . . 28 VAL CB . 19922 1 136 . 1 1 28 28 VAL N N 15 128.4 0.1 . 1 . . . . 28 VAL N . 19922 1 137 . 1 1 29 29 MET H H 1 8.83 0.01 . 1 . . . . 29 MET H . 19922 1 138 . 1 1 29 29 MET C C 13 175.8 0.1 . 1 . . . . 29 MET C . 19922 1 139 . 1 1 29 29 MET CA C 13 55.9 0.1 . 1 . . . . 29 MET CA . 19922 1 140 . 1 1 29 29 MET CB C 13 33.9 0.1 . 1 . . . . 29 MET CB . 19922 1 141 . 1 1 29 29 MET N N 15 125.1 0.1 . 1 . . . . 29 MET N . 19922 1 142 . 1 1 30 30 ASP H H 1 7.35 0.01 . 1 . . . . 30 ASP H . 19922 1 143 . 1 1 30 30 ASP C C 13 173.6 0.1 . 1 . . . . 30 ASP C . 19922 1 144 . 1 1 30 30 ASP CA C 13 54.3 0.1 . 1 . . . . 30 ASP CA . 19922 1 145 . 1 1 30 30 ASP CB C 13 44.4 0.1 . 1 . . . . 30 ASP CB . 19922 1 146 . 1 1 30 30 ASP N N 15 115.5 0.1 . 1 . . . . 30 ASP N . 19922 1 147 . 1 1 31 31 VAL H H 1 8.04 0.01 . 1 . . . . 31 VAL H . 19922 1 148 . 1 1 31 31 VAL C C 13 173.2 0.1 . 1 . . . . 31 VAL C . 19922 1 149 . 1 1 31 31 VAL CA C 13 62.1 0.1 . 1 . . . . 31 VAL CA . 19922 1 150 . 1 1 31 31 VAL CB C 13 35.5 0.1 . 1 . . . . 31 VAL CB . 19922 1 151 . 1 1 31 31 VAL N N 15 121.5 0.1 . 1 . . . . 31 VAL N . 19922 1 152 . 1 1 32 32 PHE H H 1 8.99 0.01 . 1 . . . . 32 PHE H . 19922 1 153 . 1 1 32 32 PHE C C 13 173.5 0.1 . 1 . . . . 32 PHE C . 19922 1 154 . 1 1 32 32 PHE CA C 13 55.9 0.1 . 1 . . . . 32 PHE CA . 19922 1 155 . 1 1 32 32 PHE CB C 13 42.9 0.1 . 1 . . . . 32 PHE CB . 19922 1 156 . 1 1 32 32 PHE N N 15 126.7 0.1 . 1 . . . . 32 PHE N . 19922 1 157 . 1 1 33 33 ILE H H 1 8.79 0.01 . 1 . . . . 33 ILE H . 19922 1 158 . 1 1 33 33 ILE C C 13 172.9 0.1 . 1 . . . . 33 ILE C . 19922 1 159 . 1 1 33 33 ILE CA C 13 58.1 0.1 . 1 . . . . 33 ILE CA . 19922 1 160 . 1 1 33 33 ILE CB C 13 39.3 0.1 . 1 . . . . 33 ILE CB . 19922 1 161 . 1 1 33 33 ILE N N 15 129.4 0.1 . 1 . . . . 33 ILE N . 19922 1 162 . 1 1 34 34 PRO C C 13 174.7 0.1 . 5 . . . . 34 PRO C . 19922 1 163 . 1 1 34 34 PRO CA C 13 63.2 0.1 . 5 . . . . 34 PRO CA . 19922 1 164 . 1 1 34 34 PRO CB C 13 32.1 0.1 . 5 . . . . 34 PRO CB . 19922 1 165 . 1 1 35 35 LYS H H 1 7.98 0.01 . 5 . . . . 35 LYS H . 19922 1 166 . 1 1 35 35 LYS C C 13 175.6 0.1 . 5 . . . . 35 LYS C . 19922 1 167 . 1 1 35 35 LYS CA C 13 53.0 0.1 . 5 . . . . 35 LYS CA . 19922 1 168 . 1 1 35 35 LYS CB C 13 34.3 0.1 . 5 . . . . 35 LYS CB . 19922 1 169 . 1 1 35 35 LYS N N 15 119.3 0.1 . 5 . . . . 35 LYS N . 19922 1 170 . 1 1 36 36 PRO C C 13 175.5 0.1 . 1 . . . . 36 PRO C . 19922 1 171 . 1 1 36 36 PRO CA C 13 62.5 0.1 . 1 . . . . 36 PRO CA . 19922 1 172 . 1 1 36 36 PRO CB C 13 34.5 0.1 . 1 . . . . 36 PRO CB . 19922 1 173 . 1 1 37 37 PHE H H 1 8.81 0.01 . 1 . . . . 37 PHE H . 19922 1 174 . 1 1 37 37 PHE C C 13 176.6 0.1 . 1 . . . . 37 PHE C . 19922 1 175 . 1 1 37 37 PHE CA C 13 59.9 0.1 . 1 . . . . 37 PHE CA . 19922 1 176 . 1 1 37 37 PHE CB C 13 39.5 0.1 . 1 . . . . 37 PHE CB . 19922 1 177 . 1 1 37 37 PHE N N 15 122.3 0.1 . 1 . . . . 37 PHE N . 19922 1 178 . 1 1 38 38 ARG H H 1 8.61 0.01 . 1 . . . . 38 ARG H . 19922 1 179 . 1 1 38 38 ARG C C 13 174.5 0.1 . 1 . . . . 38 ARG C . 19922 1 180 . 1 1 38 38 ARG CA C 13 54.4 0.1 . 1 . . . . 38 ARG CA . 19922 1 181 . 1 1 38 38 ARG CB C 13 31.6 0.1 . 1 . . . . 38 ARG CB . 19922 1 182 . 1 1 38 38 ARG N N 15 127.6 0.1 . 1 . . . . 38 ARG N . 19922 1 183 . 1 1 39 39 ALA C C 13 175.0 0.1 . 1 . . . . 39 ALA C . 19922 1 184 . 1 1 39 39 ALA CA C 13 53.8 0.1 . 1 . . . . 39 ALA CA . 19922 1 185 . 1 1 39 39 ALA CB C 13 16.1 0.1 . 1 . . . . 39 ALA CB . 19922 1 186 . 1 1 40 40 PHE H H 1 6.55 0.01 . 1 . . . . 40 PHE H . 19922 1 187 . 1 1 40 40 PHE C C 13 172.3 0.1 . 1 . . . . 40 PHE C . 19922 1 188 . 1 1 40 40 PHE CA C 13 55.8 0.1 . 1 . . . . 40 PHE CA . 19922 1 189 . 1 1 40 40 PHE CB C 13 43.4 0.1 . 1 . . . . 40 PHE CB . 19922 1 190 . 1 1 40 40 PHE N N 15 111.9 0.1 . 1 . . . . 40 PHE N . 19922 1 191 . 1 1 41 41 ALA H H 1 8.34 0.01 . 1 . . . . 41 ALA H . 19922 1 192 . 1 1 41 41 ALA C C 13 175.1 0.1 . 1 . . . . 41 ALA C . 19922 1 193 . 1 1 41 41 ALA CA C 13 50.1 0.1 . 1 . . . . 41 ALA CA . 19922 1 194 . 1 1 41 41 ALA CB C 13 24.7 0.1 . 1 . . . . 41 ALA CB . 19922 1 195 . 1 1 41 41 ALA N N 15 119.3 0.1 . 1 . . . . 41 ALA N . 19922 1 196 . 1 1 42 42 PHE H H 1 9.16 0.01 . 1 . . . . 42 PHE H . 19922 1 197 . 1 1 42 42 PHE C C 13 175.9 0.1 . 1 . . . . 42 PHE C . 19922 1 198 . 1 1 42 42 PHE CA C 13 55.8 0.1 . 1 . . . . 42 PHE CA . 19922 1 199 . 1 1 42 42 PHE CB C 13 42.3 0.1 . 1 . . . . 42 PHE CB . 19922 1 200 . 1 1 42 42 PHE N N 15 115.9 0.1 . 1 . . . . 42 PHE N . 19922 1 201 . 1 1 43 43 VAL H H 1 8.61 0.01 . 1 . . . . 43 VAL H . 19922 1 202 . 1 1 43 43 VAL C C 13 174.1 0.1 . 1 . . . . 43 VAL C . 19922 1 203 . 1 1 43 43 VAL CA C 13 61.1 0.1 . 1 . . . . 43 VAL CA . 19922 1 204 . 1 1 43 43 VAL CB C 13 34.8 0.1 . 1 . . . . 43 VAL CB . 19922 1 205 . 1 1 43 43 VAL N N 15 123.3 0.1 . 1 . . . . 43 VAL N . 19922 1 206 . 1 1 44 44 THR H H 1 8.74 0.01 . 1 . . . . 44 THR H . 19922 1 207 . 1 1 44 44 THR C C 13 174.0 0.1 . 1 . . . . 44 THR C . 19922 1 208 . 1 1 44 44 THR CA C 13 61.6 0.1 . 1 . . . . 44 THR CA . 19922 1 209 . 1 1 44 44 THR CB C 13 69.0 0.1 . 1 . . . . 44 THR CB . 19922 1 210 . 1 1 44 44 THR N N 15 122.5 0.1 . 1 . . . . 44 THR N . 19922 1 211 . 1 1 45 45 PHE H H 1 8.97 0.01 . 1 . . . . 45 PHE H . 19922 1 212 . 1 1 45 45 PHE C C 13 175.2 0.1 . 1 . . . . 45 PHE C . 19922 1 213 . 1 1 45 45 PHE CA C 13 57.9 0.1 . 1 . . . . 45 PHE CA . 19922 1 214 . 1 1 45 45 PHE CB C 13 41.3 0.1 . 1 . . . . 45 PHE CB . 19922 1 215 . 1 1 45 45 PHE N N 15 127.3 0.1 . 1 . . . . 45 PHE N . 19922 1 216 . 1 1 46 46 ALA H H 1 7.84 0.01 . 1 . . . . 46 ALA H . 19922 1 217 . 1 1 46 46 ALA C C 13 177.1 0.1 . 1 . . . . 46 ALA C . 19922 1 218 . 1 1 46 46 ALA CA C 13 55.0 0.1 . 1 . . . . 46 ALA CA . 19922 1 219 . 1 1 46 46 ALA CB C 13 19.8 0.1 . 1 . . . . 46 ALA CB . 19922 1 220 . 1 1 46 46 ALA N N 15 122.9 0.1 . 1 . . . . 46 ALA N . 19922 1 221 . 1 1 47 47 ASP H H 1 9.04 0.01 . 1 . . . . 47 ASP H . 19922 1 222 . 1 1 47 47 ASP C C 13 176.1 0.1 . 1 . . . . 47 ASP C . 19922 1 223 . 1 1 47 47 ASP CA C 13 53.0 0.1 . 1 . . . . 47 ASP CA . 19922 1 224 . 1 1 47 47 ASP CB C 13 42.7 0.1 . 1 . . . . 47 ASP CB . 19922 1 225 . 1 1 47 47 ASP N N 15 117.4 0.1 . 1 . . . . 47 ASP N . 19922 1 226 . 1 1 48 48 ASP H H 1 8.68 0.01 . 1 . . . . 48 ASP H . 19922 1 227 . 1 1 48 48 ASP C C 13 177.9 0.1 . 1 . . . . 48 ASP C . 19922 1 228 . 1 1 48 48 ASP CA C 13 57.4 0.1 . 1 . . . . 48 ASP CA . 19922 1 229 . 1 1 48 48 ASP CB C 13 40.5 0.1 . 1 . . . . 48 ASP CB . 19922 1 230 . 1 1 48 48 ASP N N 15 126.5 0.1 . 1 . . . . 48 ASP N . 19922 1 231 . 1 1 49 49 GLN H H 1 8.43 0.01 . 1 . . . . 49 GLN H . 19922 1 232 . 1 1 49 49 GLN C C 13 179.3 0.1 . 1 . . . . 49 GLN C . 19922 1 233 . 1 1 49 49 GLN CA C 13 58.4 0.1 . 1 . . . . 49 GLN CA . 19922 1 234 . 1 1 49 49 GLN CB C 13 28.2 0.1 . 1 . . . . 49 GLN CB . 19922 1 235 . 1 1 49 49 GLN N N 15 117.1 0.1 . 1 . . . . 49 GLN N . 19922 1 236 . 1 1 50 50 ILE H H 1 7.72 0.01 . 1 . . . . 50 ILE H . 19922 1 237 . 1 1 50 50 ILE C C 13 178.6 0.1 . 1 . . . . 50 ILE C . 19922 1 238 . 1 1 50 50 ILE CA C 13 62.6 0.1 . 1 . . . . 50 ILE CA . 19922 1 239 . 1 1 50 50 ILE CB C 13 36.1 0.1 . 1 . . . . 50 ILE CB . 19922 1 240 . 1 1 50 50 ILE N N 15 122.0 0.1 . 1 . . . . 50 ILE N . 19922 1 241 . 1 1 51 51 ALA H H 1 6.92 0.01 . 1 . . . . 51 ALA H . 19922 1 242 . 1 1 51 51 ALA C C 13 178.8 0.1 . 1 . . . . 51 ALA C . 19922 1 243 . 1 1 51 51 ALA CA C 13 55.1 0.1 . 1 . . . . 51 ALA CA . 19922 1 244 . 1 1 51 51 ALA CB C 13 19.2 0.1 . 1 . . . . 51 ALA CB . 19922 1 245 . 1 1 51 51 ALA N N 15 120.1 0.1 . 1 . . . . 51 ALA N . 19922 1 246 . 1 1 52 52 GLN H H 1 7.90 0.01 . 1 . . . . 52 GLN H . 19922 1 247 . 1 1 52 52 GLN C C 13 178.9 0.1 . 1 . . . . 52 GLN C . 19922 1 248 . 1 1 52 52 GLN CA C 13 58.9 0.1 . 1 . . . . 52 GLN CA . 19922 1 249 . 1 1 52 52 GLN CB C 13 28.5 0.1 . 1 . . . . 52 GLN CB . 19922 1 250 . 1 1 52 52 GLN N N 15 114.4 0.1 . 1 . . . . 52 GLN N . 19922 1 251 . 1 1 53 53 SER H H 1 7.86 0.01 . 1 . . . . 53 SER H . 19922 1 252 . 1 1 53 53 SER C C 13 174.6 0.1 . 1 . . . . 53 SER C . 19922 1 253 . 1 1 53 53 SER CA C 13 61.1 0.1 . 1 . . . . 53 SER CA . 19922 1 254 . 1 1 53 53 SER CB C 13 63.1 0.1 . 1 . . . . 53 SER CB . 19922 1 255 . 1 1 53 53 SER N N 15 114.7 0.1 . 1 . . . . 53 SER N . 19922 1 256 . 1 1 54 54 LEU H H 1 7.02 0.01 . 1 . . . . 54 LEU H . 19922 1 257 . 1 1 54 54 LEU C C 13 177.0 0.1 . 1 . . . . 54 LEU C . 19922 1 258 . 1 1 54 54 LEU CA C 13 55.0 0.1 . 1 . . . . 54 LEU CA . 19922 1 259 . 1 1 54 54 LEU CB C 13 44.1 0.1 . 1 . . . . 54 LEU CB . 19922 1 260 . 1 1 54 54 LEU N N 15 119.9 0.1 . 1 . . . . 54 LEU N . 19922 1 261 . 1 1 55 55 CYS H H 1 7.07 0.01 . 1 . . . . 55 CYS H . 19922 1 262 . 1 1 55 55 CYS C C 13 175.8 0.1 . 1 . . . . 55 CYS C . 19922 1 263 . 1 1 55 55 CYS CA C 13 63.7 0.1 . 1 . . . . 55 CYS CA . 19922 1 264 . 1 1 55 55 CYS CB C 13 27.1 0.1 . 1 . . . . 55 CYS CB . 19922 1 265 . 1 1 55 55 CYS N N 15 115.9 0.1 . 1 . . . . 55 CYS N . 19922 1 266 . 1 1 56 56 GLY H H 1 9.06 0.01 . 1 . . . . 56 GLY H . 19922 1 267 . 1 1 56 56 GLY C C 13 174.0 0.1 . 1 . . . . 56 GLY C . 19922 1 268 . 1 1 56 56 GLY CA C 13 45.1 0.1 . 1 . . . . 56 GLY CA . 19922 1 269 . 1 1 56 56 GLY N N 15 114.0 0.1 . 1 . . . . 56 GLY N . 19922 1 270 . 1 1 57 57 GLU H H 1 7.70 0.01 . 1 . . . . 57 GLU H . 19922 1 271 . 1 1 57 57 GLU C C 13 175.2 0.1 . 1 . . . . 57 GLU C . 19922 1 272 . 1 1 57 57 GLU CA C 13 55.6 0.1 . 1 . . . . 57 GLU CA . 19922 1 273 . 1 1 57 57 GLU CB C 13 30.8 0.1 . 1 . . . . 57 GLU CB . 19922 1 274 . 1 1 57 57 GLU N N 15 119.3 0.1 . 1 . . . . 57 GLU N . 19922 1 275 . 1 1 58 58 ASP H H 1 8.27 0.01 . 1 . . . . 58 ASP H . 19922 1 276 . 1 1 58 58 ASP C C 13 175.9 0.1 . 1 . . . . 58 ASP C . 19922 1 277 . 1 1 58 58 ASP CA C 13 53.3 0.1 . 1 . . . . 58 ASP CA . 19922 1 278 . 1 1 58 58 ASP CB C 13 42.7 0.1 . 1 . . . . 58 ASP CB . 19922 1 279 . 1 1 58 58 ASP N N 15 119.3 0.1 . 1 . . . . 58 ASP N . 19922 1 280 . 1 1 59 59 LEU H H 1 8.72 0.01 . 1 . . . . 59 LEU H . 19922 1 281 . 1 1 59 59 LEU C C 13 174.8 0.1 . 1 . . . . 59 LEU C . 19922 1 282 . 1 1 59 59 LEU CA C 13 52.9 0.1 . 1 . . . . 59 LEU CA . 19922 1 283 . 1 1 59 59 LEU CB C 13 46.2 0.1 . 1 . . . . 59 LEU CB . 19922 1 284 . 1 1 59 59 LEU N N 15 122.8 0.1 . 1 . . . . 59 LEU N . 19922 1 285 . 1 1 60 60 ILE H H 1 8.18 0.01 . 1 . . . . 60 ILE H . 19922 1 286 . 1 1 60 60 ILE C C 13 175.2 0.1 . 1 . . . . 60 ILE C . 19922 1 287 . 1 1 60 60 ILE CA C 13 59.5 0.1 . 1 . . . . 60 ILE CA . 19922 1 288 . 1 1 60 60 ILE CB C 13 37.6 0.1 . 1 . . . . 60 ILE CB . 19922 1 289 . 1 1 60 60 ILE N N 15 120.2 0.1 . 1 . . . . 60 ILE N . 19922 1 290 . 1 1 61 61 ILE H H 1 8.81 0.01 . 1 . . . . 61 ILE H . 19922 1 291 . 1 1 61 61 ILE C C 13 175.2 0.1 . 1 . . . . 61 ILE C . 19922 1 292 . 1 1 61 61 ILE CA C 13 60.4 0.1 . 1 . . . . 61 ILE CA . 19922 1 293 . 1 1 61 61 ILE CB C 13 39.4 0.1 . 1 . . . . 61 ILE CB . 19922 1 294 . 1 1 61 61 ILE N N 15 127.4 0.1 . 1 . . . . 61 ILE N . 19922 1 295 . 1 1 62 62 LYS H H 1 9.05 0.01 . 1 . . . . 62 LYS H . 19922 1 296 . 1 1 62 62 LYS C C 13 176.4 0.1 . 1 . . . . 62 LYS C . 19922 1 297 . 1 1 62 62 LYS CA C 13 57.1 0.1 . 1 . . . . 62 LYS CA . 19922 1 298 . 1 1 62 62 LYS CB C 13 31.0 0.1 . 1 . . . . 62 LYS CB . 19922 1 299 . 1 1 62 62 LYS N N 15 126.0 0.1 . 1 . . . . 62 LYS N . 19922 1 300 . 1 1 63 63 GLY H H 1 7.78 0.01 . 1 . . . . 63 GLY H . 19922 1 301 . 1 1 63 63 GLY C C 13 173.5 0.1 . 1 . . . . 63 GLY C . 19922 1 302 . 1 1 63 63 GLY CA C 13 45.3 0.1 . 1 . . . . 63 GLY CA . 19922 1 303 . 1 1 63 63 GLY N N 15 101.7 0.1 . 1 . . . . 63 GLY N . 19922 1 304 . 1 1 64 64 ILE H H 1 8.15 0.01 . 1 . . . . 64 ILE H . 19922 1 305 . 1 1 64 64 ILE C C 13 174.8 0.1 . 1 . . . . 64 ILE C . 19922 1 306 . 1 1 64 64 ILE CA C 13 58.2 0.1 . 1 . . . . 64 ILE CA . 19922 1 307 . 1 1 64 64 ILE CB C 13 37.9 0.1 . 1 . . . . 64 ILE CB . 19922 1 308 . 1 1 64 64 ILE N N 15 124.6 0.1 . 1 . . . . 64 ILE N . 19922 1 309 . 1 1 65 65 SER H H 1 8.23 0.01 . 1 . . . . 65 SER H . 19922 1 310 . 1 1 65 65 SER C C 13 175.4 0.1 . 1 . . . . 65 SER C . 19922 1 311 . 1 1 65 65 SER CA C 13 57.1 0.1 . 1 . . . . 65 SER CA . 19922 1 312 . 1 1 65 65 SER CB C 13 62.7 0.1 . 1 . . . . 65 SER CB . 19922 1 313 . 1 1 65 65 SER N N 15 119.0 0.1 . 1 . . . . 65 SER N . 19922 1 314 . 1 1 66 66 VAL H H 1 9.46 0.01 . 1 . . . . 66 VAL H . 19922 1 315 . 1 1 66 66 VAL C C 13 174.3 0.1 . 1 . . . . 66 VAL C . 19922 1 316 . 1 1 66 66 VAL CA C 13 59.7 0.1 . 1 . . . . 66 VAL CA . 19922 1 317 . 1 1 66 66 VAL CB C 13 33.1 0.1 . 1 . . . . 66 VAL CB . 19922 1 318 . 1 1 66 66 VAL N N 15 126.0 0.1 . 1 . . . . 66 VAL N . 19922 1 319 . 1 1 67 67 HIS H H 1 8.06 0.01 . 1 . . . . 67 HIS H . 19922 1 320 . 1 1 67 67 HIS C C 13 174.3 0.1 . 1 . . . . 67 HIS C . 19922 1 321 . 1 1 67 67 HIS CA C 13 54.4 0.1 . 1 . . . . 67 HIS CA . 19922 1 322 . 1 1 67 67 HIS CB C 13 31.9 0.1 . 1 . . . . 67 HIS CB . 19922 1 323 . 1 1 67 67 HIS N N 15 117.6 0.1 . 1 . . . . 67 HIS N . 19922 1 324 . 1 1 68 68 ILE H H 1 8.33 0.01 . 1 . . . . 68 ILE H . 19922 1 325 . 1 1 68 68 ILE C C 13 175.7 0.1 . 1 . . . . 68 ILE C . 19922 1 326 . 1 1 68 68 ILE CA C 13 58.8 0.1 . 1 . . . . 68 ILE CA . 19922 1 327 . 1 1 68 68 ILE CB C 13 35.8 0.1 . 1 . . . . 68 ILE CB . 19922 1 328 . 1 1 68 68 ILE N N 15 129.8 0.1 . 1 . . . . 68 ILE N . 19922 1 329 . 1 1 69 69 SER H H 1 9.59 0.01 . 1 . . . . 69 SER H . 19922 1 330 . 1 1 69 69 SER C C 13 173.2 0.1 . 1 . . . . 69 SER C . 19922 1 331 . 1 1 69 69 SER CA C 13 57.0 0.1 . 1 . . . . 69 SER CA . 19922 1 332 . 1 1 69 69 SER CB C 13 66.4 0.1 . 1 . . . . 69 SER CB . 19922 1 333 . 1 1 69 69 SER N N 15 120.8 0.1 . 1 . . . . 69 SER N . 19922 1 334 . 1 1 70 70 ASN H H 1 8.79 0.01 . 1 . . . . 70 ASN H . 19922 1 335 . 1 1 70 70 ASN C C 13 175.1 0.1 . 1 . . . . 70 ASN C . 19922 1 336 . 1 1 70 70 ASN CA C 13 54.9 0.1 . 1 . . . . 70 ASN CA . 19922 1 337 . 1 1 70 70 ASN CB C 13 39.2 0.1 . 1 . . . . 70 ASN CB . 19922 1 338 . 1 1 70 70 ASN N N 15 119.0 0.1 . 1 . . . . 70 ASN N . 19922 1 339 . 1 1 71 71 ALA H H 1 7.97 0.01 . 1 . . . . 71 ALA H . 19922 1 340 . 1 1 71 71 ALA C C 13 176.0 0.1 . 1 . . . . 71 ALA C . 19922 1 341 . 1 1 71 71 ALA CA C 13 51.3 0.1 . 1 . . . . 71 ALA CA . 19922 1 342 . 1 1 71 71 ALA CB C 13 20.6 0.1 . 1 . . . . 71 ALA CB . 19922 1 343 . 1 1 71 71 ALA N N 15 122.9 0.1 . 1 . . . . 71 ALA N . 19922 1 344 . 1 1 73 73 PRO C C 13 176.4 0.1 . 5 . . . . 73 PRO C . 19922 1 345 . 1 1 73 73 PRO CA C 13 62.9 0.1 . 5 . . . . 73 PRO CA . 19922 1 346 . 1 1 73 73 PRO CB C 13 32.0 0.1 . 5 . . . . 73 PRO CB . 19922 1 347 . 1 1 74 74 LYS H H 1 8.25 0.01 . 5 . . . . 74 LYS H . 19922 1 348 . 1 1 74 74 LYS C C 13 176.3 0.1 . 5 . . . . 74 LYS C . 19922 1 349 . 1 1 74 74 LYS CA C 13 56.3 0.1 . 5 . . . . 74 LYS CA . 19922 1 350 . 1 1 74 74 LYS CB C 13 33.0 0.1 . 5 . . . . 74 LYS CB . 19922 1 351 . 1 1 74 74 LYS N N 15 121.2 0.1 . 5 . . . . 74 LYS N . 19922 1 352 . 1 1 75 75 HIS C C 13 173.8 0.1 . 1 . . . . 75 HIS C . 19922 1 353 . 1 1 75 75 HIS CA C 13 55.4 0.1 . 1 . . . . 75 HIS CA . 19922 1 354 . 1 1 75 75 HIS CB C 13 30.3 0.1 . 1 . . . . 75 HIS CB . 19922 1 355 . 1 1 76 76 ASN H H 1 8.14 0.01 . 1 . . . . 76 ASN H . 19922 1 356 . 1 1 76 76 ASN C C 13 179.6 0.1 . 1 . . . . 76 ASN C . 19922 1 357 . 1 1 76 76 ASN CA C 13 54.7 0.1 . 1 . . . . 76 ASN CA . 19922 1 358 . 1 1 76 76 ASN CB C 13 40.1 0.1 . 1 . . . . 76 ASN CB . 19922 1 359 . 1 1 76 76 ASN N N 15 125.5 0.1 . 1 . . . . 76 ASN N . 19922 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 1 162 19922 1 1 344 19922 1 2 166 19922 1 2 348 19922 1 3 163 19922 1 3 345 19922 1 4 167 19922 1 4 349 19922 1 5 164 19922 1 5 346 19922 1 6 168 19922 1 6 350 19922 1 7 165 19922 1 7 347 19922 1 8 169 19922 1 8 351 19922 1 stop_ save_