################################### # 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 25566 _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' . . . 25566 1 2 '3D HNCO' . . . 25566 1 3 '3D HNCA' . . . 25566 1 4 '3D HNCACB' . . . 25566 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 . . 25566 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 13 177.4 0.2 . 1 . . . . 1 MET C . 25566 1 2 . 1 1 2 2 THR H H 1 8.26 0.02 . 1 . . . . 2 THR H . 25566 1 3 . 1 1 2 2 THR C C 13 174.6 0.2 . 1 . . . . 2 THR C . 25566 1 4 . 1 1 2 2 THR CA C 13 62 0.2 . 1 . . . . 2 THR CA . 25566 1 5 . 1 1 2 2 THR CB C 13 69.7 0.2 . 1 . . . . 2 THR CB . 25566 1 6 . 1 1 2 2 THR N N 15 119.3 0.2 . 1 . . . . 2 THR N . 25566 1 7 . 1 1 3 3 ASP H H 1 8.44 0.02 . 1 . . . . 3 ASP H . 25566 1 8 . 1 1 3 3 ASP C C 13 175.5 0.2 . 1 . . . . 3 ASP C . 25566 1 9 . 1 1 3 3 ASP CA C 13 54.5 0.2 . 1 . . . . 3 ASP CA . 25566 1 10 . 1 1 3 3 ASP CB C 13 41.3 0.2 . 1 . . . . 3 ASP CB . 25566 1 11 . 1 1 3 3 ASP N N 15 122.4 0.2 . 1 . . . . 3 ASP N . 25566 1 12 . 1 1 4 4 ALA H H 1 8.49 0.02 . 1 . . . . 4 ALA H . 25566 1 13 . 1 1 4 4 ALA CA C 13 52.7 0.2 . 1 . . . . 4 ALA HA . 25566 1 14 . 1 1 4 4 ALA CB C 13 19.7 0.2 . 1 . . . . 4 ALA CB . 25566 1 15 . 1 1 4 4 ALA C C 13 178.2 0.2 . 1 . . . . 4 ALA C . 25566 1 16 . 1 1 4 4 ALA N N 15 124 0.2 . 1 . . . . 4 ALA N . 25566 1 17 . 1 1 5 5 VAL H H 1 8.52 0.02 . 1 . . . . 5 VAL H . 25566 1 18 . 1 1 5 5 VAL C C 13 175.4 0.2 . 1 . . . . 5 VAL C . 25566 1 19 . 1 1 5 5 VAL CA C 13 62.4 0.2 . 1 . . . . 5 VAL CA . 25566 1 20 . 1 1 5 5 VAL CB C 13 32.4 0.2 . 1 . . . . 5 VAL CB . 25566 1 21 . 1 1 5 5 VAL N N 15 117.3 0.2 . 1 . . . . 5 VAL N . 25566 1 22 . 1 1 6 6 LEU H H 1 7.62 0.02 . 1 . . . . 6 LEU H . 25566 1 23 . 1 1 6 6 LEU C C 13 174 0.2 . 1 . . . . 6 LEU C . 25566 1 24 . 1 1 6 6 LEU CA C 13 55.2 0.2 . 1 . . . . 6 LEU CA . 25566 1 25 . 1 1 6 6 LEU CB C 13 44.4 0.2 . 1 . . . . 6 LEU CB . 25566 1 26 . 1 1 6 6 LEU N N 15 121.5 0.2 . 1 . . . . 6 LEU N . 25566 1 27 . 1 1 7 7 GLU H H 1 8.71 0.02 . 1 . . . . 7 GLU H . 25566 1 28 . 1 1 7 7 GLU C C 13 175 0.2 . 1 . . . . 7 GLU C . 25566 1 29 . 1 1 7 7 GLU CA C 13 55.3 0.2 . 1 . . . . 7 GLU CA . 25566 1 30 . 1 1 7 7 GLU CB C 13 30.5 0.2 . 1 . . . . 7 GLU CB . 25566 1 31 . 1 1 7 7 GLU N N 15 125.6 0.2 . 1 . . . . 7 GLU N . 25566 1 32 . 1 1 8 8 LEU H H 1 8.37 0.02 . 1 . . . . 8 LEU H . 25566 1 33 . 1 1 8 8 LEU CA C 13 52 0.2 . 1 . . . . 8 LEU CA . 25566 1 34 . 1 1 8 8 LEU CB C 13 43.1 0.2 . 1 . . . . 8 LEU CB . 25566 1 35 . 1 1 8 8 LEU N N 15 125.9 0.2 . 1 . . . . 8 LEU N . 25566 1 36 . 1 1 9 9 PRO C C 13 178.5 0.2 . 1 . . . . 9 PRO C . 25566 1 37 . 1 1 9 9 PRO CA C 13 62.5 0.2 . 1 . . . . 9 PRO CA . 25566 1 38 . 1 1 9 9 PRO CB C 13 31.9 0.2 . 1 . . . . 9 PRO CB . 25566 1 39 . 1 1 10 10 ALA H H 1 9.06 0.02 . 1 . . . . 10 ALA H . 25566 1 40 . 1 1 10 10 ALA C C 13 179.8 0.2 . 1 . . . . 10 ALA C . 25566 1 41 . 1 1 10 10 ALA CA C 13 56 0.2 . 1 . . . . 10 ALA CA . 25566 1 42 . 1 1 10 10 ALA CB C 13 18.4 0.2 . 1 . . . . 10 ALA CB . 25566 1 43 . 1 1 10 10 ALA N N 15 129.5 0.2 . 1 . . . . 10 ALA N . 25566 1 44 . 1 1 11 11 ALA H H 1 8.71 0.02 . 1 . . . . 11 ALA H . 25566 1 45 . 1 1 11 11 ALA C C 13 180 0.2 . 1 . . . . 11 ALA C . 25566 1 46 . 1 1 11 11 ALA CA C 13 54.6 0.2 . 1 . . . . 11 ALA CA . 25566 1 47 . 1 1 11 11 ALA CB C 13 18.4 0.2 . 1 . . . . 11 ALA CB . 25566 1 48 . 1 1 11 11 ALA N N 15 117.2 0.2 . 1 . . . . 11 ALA N . 25566 1 49 . 1 1 12 12 THR H H 1 8.04 0.02 . 1 . . . . 12 THR H . 25566 1 50 . 1 1 12 12 THR C C 13 176 0.2 . 1 . . . . 12 THR C . 25566 1 51 . 1 1 12 12 THR CA C 13 65.7 0.2 . 1 . . . . 12 THR CA . 25566 1 52 . 1 1 12 12 THR CB C 13 68.9 0.2 . 1 . . . . 12 THR CB . 25566 1 53 . 1 1 12 12 THR N N 15 113.6 0.2 . 1 . . . . 12 THR N . 25566 1 54 . 1 1 13 13 PHE H H 1 7.67 0.02 . 1 . . . . 13 PHE H . 25566 1 55 . 1 1 13 13 PHE C C 13 173.5 0.2 . 1 . . . . 13 PHE C . 25566 1 56 . 1 1 13 13 PHE CA C 13 61.2 0.2 . 1 . . . . 13 PHE CA . 25566 1 57 . 1 1 13 13 PHE CB C 13 38.2 0.2 . 1 . . . . 13 PHE CB . 25566 1 58 . 1 1 13 13 PHE N N 15 115.8 0.2 . 1 . . . . 13 PHE N . 25566 1 59 . 1 1 14 14 ASP H H 1 7.32 0.02 . 1 . . . . 14 ASP H . 25566 1 60 . 1 1 14 14 ASP C C 13 175.2 0.2 . 1 . . . . 14 ASP C . 25566 1 61 . 1 1 14 14 ASP CA C 13 53.8 0.2 . 1 . . . . 14 ASP CA . 25566 1 62 . 1 1 14 14 ASP CB C 13 43 0.2 . 1 . . . . 14 ASP CB . 25566 1 63 . 1 1 14 14 ASP N N 15 113.5 0.2 . 1 . . . . 14 ASP N . 25566 1 64 . 1 1 15 15 LEU H H 1 6.98 0.02 . 1 . . . . 15 LEU H . 25566 1 65 . 1 1 15 15 LEU N N 15 123.7 0.2 . 1 . . . . 15 LEU N . 25566 1 66 . 1 1 19 19 LEU C C 13 179 0.2 . 1 . . . . 19 LEU C . 25566 1 67 . 1 1 20 20 SER H H 1 8.76 0.02 . 1 . . . . 20 SER H . 25566 1 68 . 1 1 20 20 SER CB C 13 62.9 0.2 . 1 . . . . 20 SER CB . 25566 1 69 . 1 1 20 20 SER N N 15 117 0.2 . 1 . . . . 20 SER N . 25566 1 70 . 1 1 21 21 GLY C C 13 175.4 0.2 . 1 . . . . 21 GLY C . 25566 1 71 . 1 1 22 22 GLY H H 1 8.21 0.02 . 1 . . . . 22 GLY H . 25566 1 72 . 1 1 22 22 GLY N N 15 107 0.2 . 1 . . . . 22 GLY N . 25566 1 73 . 1 1 25 25 THR C C 13 172 0.2 . 1 . . . . 25 THR C . 25566 1 74 . 1 1 26 26 THR H H 1 8.43 0.02 . 1 . . . . 26 THR H . 25566 1 75 . 1 1 26 26 THR CA C 13 59.7 0.2 . 1 . . . . 26 THR CA . 25566 1 76 . 1 1 26 26 THR CB C 13 73.6 0.2 . 1 . . . . 26 THR CB . 25566 1 77 . 1 1 26 26 THR N N 15 109.6 0.2 . 1 . . . . 26 THR N . 25566 1 78 . 1 1 30 30 HIS C C 13 173.1 0.2 . 1 . . . . 30 HIS C . 25566 1 79 . 1 1 31 31 ALA H H 1 7.48 0.02 . 1 . . . . 31 ALA H . 25566 1 80 . 1 1 31 31 ALA C C 13 178.6 0.2 . 1 . . . . 31 ALA C . 25566 1 81 . 1 1 31 31 ALA CA C 13 54 0.2 . 1 . . . . 31 ALA CA . 25566 1 82 . 1 1 31 31 ALA CB C 13 18.6 0.2 . 1 . . . . 31 ALA CB . 25566 1 83 . 1 1 31 31 ALA N N 15 122.8 0.2 . 1 . . . . 31 ALA N . 25566 1 84 . 1 1 32 32 GLY H H 1 8.91 0.02 . 1 . . . . 32 GLY H . 25566 1 85 . 1 1 32 32 GLY N N 15 109.5 0.2 . 1 . . . . 32 GLY N . 25566 1 86 . 1 1 34 34 TRP C C 13 175.7 0.2 . 1 . . . . 34 TRP C . 25566 1 87 . 1 1 34 34 TRP CA C 13 59 0.2 . 1 . . . . 34 TRP CA . 25566 1 88 . 1 1 35 35 LEU H H 1 9.29 0.02 . 1 . . . . 35 LEU H . 25566 1 89 . 1 1 35 35 LEU C C 13 174.3 0.2 . 1 . . . . 35 LEU C . 25566 1 90 . 1 1 35 35 LEU CA C 13 53.9 0.2 . 1 . . . . 35 LEU CA . 25566 1 91 . 1 1 35 35 LEU CB C 13 46.6 0.2 . 1 . . . . 35 LEU CB . 25566 1 92 . 1 1 35 35 LEU N N 15 124.3 0.2 . 1 . . . . 35 LEU N . 25566 1 93 . 1 1 36 36 VAL H H 1 8.96 0.02 . 1 . . . . 36 VAL H . 25566 1 94 . 1 1 36 36 VAL CA C 13 60.9 0.2 . 1 . . . . 36 VAL CA . 25566 1 95 . 1 1 36 36 VAL CB C 13 32.7 0.2 . 1 . . . . 36 VAL CB . 25566 1 96 . 1 1 36 36 VAL N N 15 127.6 0.2 . 1 . . . . 36 VAL N . 25566 1 97 . 1 1 57 57 ALA H H 1 8.18 0.02 . 1 . . . . 57 ALA H . 25566 1 98 . 1 1 57 57 ALA C C 13 179.1 0.2 . 1 . . . . 57 ALA C . 25566 1 99 . 1 1 57 57 ALA CA C 13 54.7 0.2 . 1 . . . . 57 ALA CA . 25566 1 100 . 1 1 57 57 ALA CB C 13 18.5 0.2 . 1 . . . . 57 ALA CB . 25566 1 101 . 1 1 57 57 ALA N N 15 120.3 0.2 . 1 . . . . 57 ALA N . 25566 1 102 . 1 1 58 58 LEU H H 1 7.31 0.02 . 1 . . . . 58 LEU H . 25566 1 103 . 1 1 58 58 LEU C C 13 177.5 0.2 . 1 . . . . 58 LEU C . 25566 1 104 . 1 1 58 58 LEU CA C 13 54.1 0.2 . 1 . . . . 58 LEU CA . 25566 1 105 . 1 1 58 58 LEU CB C 13 44.4 0.2 . 1 . . . . 58 LEU CB . 25566 1 106 . 1 1 58 58 LEU N N 15 115 0.2 . 1 . . . . 58 LEU N . 25566 1 107 . 1 1 59 59 LEU H H 1 7.68 0.02 . 1 . . . . 59 LEU H . 25566 1 108 . 1 1 59 59 LEU CA C 13 60.5 0.2 . 1 . . . . 59 LEU CA . 25566 1 109 . 1 1 59 59 LEU CB C 13 39.9 0.2 . 1 . . . . 59 LEU CB . 25566 1 110 . 1 1 59 59 LEU N N 15 125.1 0.2 . 1 . . . . 59 LEU N . 25566 1 111 . 1 1 60 60 PRO C C 13 180 0.2 . 1 . . . . 60 PRO C . 25566 1 112 . 1 1 60 60 PRO CA C 13 66.1 0.2 . 1 . . . . 60 PRO CA . 25566 1 113 . 1 1 61 61 GLU H H 1 7.76 0.02 . 1 . . . . 61 GLU H . 25566 1 114 . 1 1 61 61 GLU C C 13 180.1 0.2 . 1 . . . . 61 GLU C . 25566 1 115 . 1 1 61 61 GLU CA C 13 58.5 0.2 . 1 . . . . 61 GLU CA . 25566 1 116 . 1 1 61 61 GLU CB C 13 29.8 0.2 . 1 . . . . 61 GLU CB . 25566 1 117 . 1 1 61 61 GLU N N 15 115.6 0.2 . 1 . . . . 61 GLU N . 25566 1 118 . 1 1 62 62 PHE H H 1 8.18 0.02 . 1 . . . . 62 PHE H . 25566 1 119 . 1 1 62 62 PHE CB C 13 38.4 0.2 . 1 . . . . 62 PHE CB . 25566 1 120 . 1 1 62 62 PHE N N 15 120.8 0.2 . 1 . . . . 62 PHE N . 25566 1 121 . 1 1 63 63 ASP C C 13 180.7 0.2 . 1 . . . . 63 ASP C . 25566 1 122 . 1 1 64 64 LYS H H 1 7.84 0.02 . 1 . . . . 64 LYS H . 25566 1 123 . 1 1 64 64 LYS C C 13 177.6 0.2 . 1 . . . . 64 LYS C . 25566 1 124 . 1 1 64 64 LYS CA C 13 59.4 0.2 . 1 . . . . 64 LYS CA . 25566 1 125 . 1 1 64 64 LYS CB C 13 32.7 0.2 . 1 . . . . 64 LYS CB . 25566 1 126 . 1 1 64 64 LYS N N 15 120.4 0.2 . 1 . . . . 64 LYS N . 25566 1 127 . 1 1 65 65 ALA H H 1 7.36 0.02 . 1 . . . . 65 ALA H . 25566 1 128 . 1 1 65 65 ALA CA C 13 52.3 0.2 . 1 . . . . 65 ALA CA . 25566 1 129 . 1 1 65 65 ALA CB C 13 18.5 0.2 . 1 . . . . 65 ALA CB . 25566 1 130 . 1 1 65 65 ALA N N 15 119.2 0.2 . 1 . . . . 65 ALA N . 25566 1 131 . 1 1 66 66 GLY H H 1 7.95 0.02 . 1 . . . . 66 GLY H . 25566 1 132 . 1 1 66 66 GLY C C 13 174.4 0.2 . 1 . . . . 66 GLY C . 25566 1 133 . 1 1 66 66 GLY N N 15 105.5 0.2 . 1 . . . . 66 GLY N . 25566 1 134 . 1 1 67 67 ALA H H 1 8.36 0.02 . 1 . . . . 67 ALA H . 25566 1 135 . 1 1 67 67 ALA CA C 13 50.4 0.2 . 1 . . . . 67 ALA CA . 25566 1 136 . 1 1 67 67 ALA CB C 13 24.4 0.2 . 1 . . . . 67 ALA CB . 25566 1 137 . 1 1 67 67 ALA N N 15 121.5 0.2 . 1 . . . . 67 ALA N . 25566 1 138 . 1 1 68 68 LYS C C 13 173.8 0.2 . 1 . . . . 68 LYS C . 25566 1 139 . 1 1 69 69 ILE H H 1 8.1 0.02 . 1 . . . . 69 ILE H . 25566 1 140 . 1 1 69 69 ILE CA C 13 59.7 0.2 . 1 . . . . 69 ILE CA . 25566 1 141 . 1 1 69 69 ILE CB C 13 39.9 0.2 . 1 . . . . 69 ILE CB . 25566 1 142 . 1 1 69 69 ILE N N 15 119.8 0.2 . 1 . . . . 69 ILE N . 25566 1 143 . 1 1 90 90 ALA C C 13 175.5 0.2 . 1 . . . . 90 ALA C . 25566 1 144 . 1 1 90 90 ALA CA C 13 52.4 0.2 . 1 . . . . 90 ALA CA . 25566 1 145 . 1 1 90 90 ALA CB C 13 19.2 0.2 . 1 . . . . 90 ALA CB . 25566 1 146 . 1 1 91 91 PHE H H 1 6.81 0.02 . 1 . . . . 91 PHE H . 25566 1 147 . 1 1 91 91 PHE CA C 13 54 0.2 . 1 . . . . 91 PHE CA . 25566 1 148 . 1 1 91 91 PHE CB C 13 38.7 0.2 . 1 . . . . 91 PHE CB . 25566 1 149 . 1 1 91 91 PHE N N 15 116.2 0.2 . 1 . . . . 91 PHE N . 25566 1 150 . 1 1 105 105 PHE C C 13 173.9 0.2 . 1 . . . . 105 PHE C . 25566 1 151 . 1 1 105 105 PHE CA C 13 58.9 0.2 . 1 . . . . 105 PHE CA . 25566 1 152 . 1 1 106 106 ASP H H 1 7.8 0.02 . 1 . . . . 106 ASP H . 25566 1 153 . 1 1 106 106 ASP CA C 13 54.8 0.2 . 1 . . . . 106 ASP CA . 25566 1 154 . 1 1 106 106 ASP CB C 13 39.7 0.2 . 1 . . . . 106 ASP CB . 25566 1 155 . 1 1 106 106 ASP N N 15 121.4 0.2 . 1 . . . . 106 ASP N . 25566 1 156 . 1 1 107 107 VAL C C 13 175 0.2 . 1 . . . . 107 VAL C . 25566 1 157 . 1 1 108 108 ILE H H 1 7.69 0.02 . 1 . . . . 108 ILE H . 25566 1 158 . 1 1 108 108 ILE C C 13 175.7 0.2 . 1 . . . . 108 ILE C . 25566 1 159 . 1 1 108 108 ILE N N 15 121 0.2 . 1 . . . . 108 ILE N . 25566 1 160 . 1 1 109 109 LYS H H 1 8.73 0.02 . 1 . . . . 109 LYS H . 25566 1 161 . 1 1 109 109 LYS C C 13 175.3 0.2 . 1 . . . . 109 LYS C . 25566 1 162 . 1 1 109 109 LYS CA C 13 53.4 0.2 . 1 . . . . 109 LYS CA . 25566 1 163 . 1 1 109 109 LYS CB C 13 36.2 0.2 . 1 . . . . 109 LYS CB . 25566 1 164 . 1 1 109 109 LYS N N 15 127.7 0.2 . 1 . . . . 109 LYS N . 25566 1 165 . 1 1 110 110 GLU H H 1 8.62 0.02 . 1 . . . . 110 GLU H . 25566 1 166 . 1 1 110 110 GLU C C 13 176 0.2 . 1 . . . . 110 GLU C . 25566 1 167 . 1 1 110 110 GLU CA C 13 56.7 0.2 . 1 . . . . 110 GLU CA . 25566 1 168 . 1 1 110 110 GLU CB C 13 30.9 0.2 . 1 . . . . 110 GLU CB . 25566 1 169 . 1 1 110 110 GLU N N 15 121.4 0.2 . 1 . . . . 110 GLU N . 25566 1 170 . 1 1 111 111 LYS H H 1 9 0.02 . 1 . . . . 111 LYS H . 25566 1 171 . 1 1 111 111 LYS C C 13 174.1 0.2 . 1 . . . . 111 LYS C . 25566 1 172 . 1 1 111 111 LYS CA C 13 55.2 0.2 . 1 . . . . 111 LYS CA . 25566 1 173 . 1 1 111 111 LYS CB C 13 35.2 0.2 . 1 . . . . 111 LYS CB . 25566 1 174 . 1 1 111 111 LYS N N 15 124.3 0.2 . 1 . . . . 111 LYS N . 25566 1 175 . 1 1 112 112 ASN H H 1 8.54 0.02 . 1 . . . . 112 ASN H . 25566 1 176 . 1 1 112 112 ASN C C 13 175.2 0.2 . 1 . . . . 112 ASN C . 25566 1 177 . 1 1 112 112 ASN CA C 13 53 0.2 . 1 . . . . 112 ASN CA . 25566 1 178 . 1 1 112 112 ASN CB C 13 39.5 0.2 . 1 . . . . 112 ASN CB . 25566 1 179 . 1 1 112 112 ASN N N 15 120.5 0.2 . 1 . . . . 112 ASN N . 25566 1 180 . 1 1 113 113 MET H H 1 8.96 0.02 . 1 . . . . 113 MET H . 25566 1 181 . 1 1 113 113 MET CA C 13 54.8 0.2 . 1 . . . . 113 MET CA . 25566 1 182 . 1 1 113 113 MET CB C 13 33.9 0.2 . 1 . . . . 113 MET CB . 25566 1 183 . 1 1 113 113 MET N N 15 124.8 0.1 . 1 . . . . 113 MET N . 25566 1 184 . 1 1 114 114 TYR H H 1 8.88 0.02 . 1 . . . . 114 TYR H . 25566 1 185 . 1 1 114 114 TYR C C 13 175.3 2 . 1 . . . . 114 TYR C . 25566 1 186 . 1 1 114 114 TYR CA C 13 58.2 0.2 . 1 . . . . 114 TYR CA . 25566 1 187 . 1 1 114 114 TYR CB C 13 36 0.2 . 1 . . . . 114 TYR CB . 25566 1 188 . 1 1 114 114 TYR N N 15 122.5 0.2 . 1 . . . . 114 TYR N . 25566 1 189 . 1 1 115 115 GLY H H 1 8.3 0.02 . 1 . . . . 115 GLY H . 25566 1 190 . 1 1 115 115 GLY C C 13 173.9 0.2 . 1 . . . . 115 GLY C . 25566 1 191 . 1 1 115 115 GLY N N 15 105.7 0.2 . 1 . . . . 115 GLY N . 25566 1 192 . 1 1 116 116 LYS H H 1 7.76 0.02 . 1 . . . . 116 LYS H . 25566 1 193 . 1 1 116 116 LYS C C 13 174.8 0.2 . 1 . . . . 116 LYS C . 25566 1 194 . 1 1 116 116 LYS CA C 13 54.8 0.2 . 1 . . . . 116 LYS CA . 25566 1 195 . 1 1 116 116 LYS CB C 13 34.7 0.2 . 1 . . . . 116 LYS CB . 25566 1 196 . 1 1 116 116 LYS N N 15 120.6 0.2 . 1 . . . . 116 LYS N . 25566 1 197 . 1 1 117 117 GLN H H 1 8.51 0.02 . 1 . . . . 117 GLN H . 25566 1 198 . 1 1 117 117 GLN C C 13 175.9 0.2 . 1 . . . . 117 GLN C . 25566 1 199 . 1 1 117 117 GLN CB C 13 29.6 0.2 . 1 . . . . 117 GLN CB . 25566 1 200 . 1 1 117 117 GLN CA C 13 55.8 0.2 . 1 . . . . 117 GLN CA . 25566 1 201 . 1 1 117 117 GLN N N 15 121.6 0.2 . 1 . . . . 117 GLN N . 25566 1 202 . 1 1 118 118 VAL H H 1 8.96 0.02 . 1 . . . . 118 VAL H . 25566 1 203 . 1 1 118 118 VAL C C 13 174.5 0.2 . 1 . . . . 118 VAL C . 25566 1 204 . 1 1 118 118 VAL CA C 13 60.5 0.2 . 1 . . . . 118 VAL CA . 25566 1 205 . 1 1 118 118 VAL CB C 13 35.3 0.2 . 1 . . . . 118 VAL CB . 25566 1 206 . 1 1 118 118 VAL N N 15 123.6 0.2 . 1 . . . . 118 VAL N . 25566 1 207 . 1 1 119 119 LEU H H 1 8.51 0.02 . 1 . . . . 119 LEU H . 25566 1 208 . 1 1 119 119 LEU C C 13 177.4 0.2 . 1 . . . . 119 LEU C . 25566 1 209 . 1 1 119 119 LEU CA C 13 54.3 0.2 . 1 . . . . 119 LEU CA . 25566 1 210 . 1 1 119 119 LEU CB C 13 43 0.2 . 1 . . . . 119 LEU CB . 25566 1 211 . 1 1 119 119 LEU N N 15 125.2 0.2 . 1 . . . . 119 LEU N . 25566 1 212 . 1 1 120 120 GLY H H 1 8.5 0.02 . 1 . . . . 120 GLY H . 25566 1 213 . 1 1 120 120 GLY N N 15 109 0.2 . 1 . . . . 120 GLY N . 25566 1 214 . 1 1 126 126 PHE C C 13 172.8 0.2 . 1 . . . . 126 PHE C . 25566 1 215 . 1 1 126 126 PHE CA C 13 57.1 0.2 . 1 . . . . 126 PHE CA . 25566 1 216 . 1 1 127 127 LEU H H 1 8.98 0.02 . 1 . . . . 127 LEU H . 25566 1 217 . 1 1 127 127 LEU C C 13 174.1 0.2 . 1 . . . . 127 LEU C . 25566 1 218 . 1 1 127 127 LEU CA C 13 53.9 0.2 . 1 . . . . 127 LEU CA . 25566 1 219 . 1 1 127 127 LEU N N 15 122.7 0.2 . 1 . . . . 127 LEU N . 25566 1 220 . 1 1 128 128 LEU H H 1 10.27 0.02 . 1 . . . . 128 LEU H . 25566 1 221 . 1 1 128 128 LEU C C 13 175.8 0.2 . 1 . . . . 128 LEU C . 25566 1 222 . 1 1 128 128 LEU CA C 13 54.7 0.2 . 1 . . . . 128 LEU CA . 25566 1 223 . 1 1 128 128 LEU CB C 13 44.4 0.2 . 1 . . . . 128 LEU CB . 25566 1 224 . 1 1 128 128 LEU N N 15 130.5 0.2 . 1 . . . . 128 LEU N . 25566 1 225 . 1 1 129 129 SER H H 1 9.29 0.02 . 1 . . . . 129 SER H . 25566 1 226 . 1 1 129 129 SER CA C 13 55.8 0.2 . 1 . . . . 129 SER CA . 25566 1 227 . 1 1 129 129 SER CB C 13 63.2 0.2 . 1 . . . . 129 SER CB . 25566 1 228 . 1 1 129 129 SER N N 15 116.8 0.2 . 1 . . . . 129 SER N . 25566 1 229 . 1 1 130 130 PRO C C 13 177 0.2 . 1 . . . . 130 PRO C . 25566 1 230 . 1 1 130 130 PRO CA C 13 64.2 0.2 . 1 . . . . 130 PRO CA . 25566 1 231 . 1 1 130 130 PRO CB C 13 31.9 0.2 . 1 . . . . 130 PRO CB . 25566 1 232 . 1 1 131 131 GLU H H 1 7.21 0.02 . 1 . . . . 131 GLU H . 25566 1 233 . 1 1 131 131 GLU C C 13 176.2 0.2 . 1 . . . . 131 GLU C . 25566 1 234 . 1 1 131 131 GLU CA C 13 56.3 0.2 . 1 . . . . 131 GLU CA . 25566 1 235 . 1 1 131 131 GLU CB C 13 29.5 0.2 . 1 . . . . 131 GLU CB . 25566 1 236 . 1 1 131 131 GLU N N 15 112.7 0.2 . 1 . . . . 131 GLU N . 25566 1 237 . 1 1 132 132 GLY H H 1 8.39 0.02 . 1 . . . . 132 GLY H . 25566 1 238 . 1 1 132 132 GLY C C 13 172.9 0.2 . 1 . . . . 132 GLY C . 25566 1 239 . 1 1 132 132 GLY N N 15 109.5 0.2 . 1 . . . . 132 GLY N . 25566 1 240 . 1 1 133 133 GLN H H 1 7.21 0.02 . 1 . . . . 133 GLN H . 25566 1 241 . 1 1 133 133 GLN C C 13 176 0.2 . 1 . . . . 133 GLN C . 25566 1 242 . 1 1 133 133 GLN CA C 13 54.6 0.2 . 1 . . . . 133 GLN CA . 25566 1 243 . 1 1 133 133 GLN CB C 13 30.2 0.2 . 1 . . . . 133 GLN CB . 25566 1 244 . 1 1 133 133 GLN N N 15 115.6 0.2 . 1 . . . . 133 GLN N . 25566 1 245 . 1 1 134 134 VAL H H 1 9.42 0.02 . 1 . . . . 134 VAL H . 25566 1 246 . 1 1 134 134 VAL CA C 13 63.2 0.2 . 1 . . . . 134 VAL CA . 25566 1 247 . 1 1 134 134 VAL N N 15 124.7 0.2 . 1 . . . . 134 VAL N . 25566 1 248 . 1 1 135 135 VAL C C 13 175.6 0.2 . 1 . . . . 135 VAL C . 25566 1 249 . 1 1 135 135 VAL CA C 13 62.2 0.2 . 1 . . . . 135 VAL CA . 25566 1 250 . 1 1 136 136 GLN H H 1 7.75 0.02 . 1 . . . . 136 GLN H . 25566 1 251 . 1 1 136 136 GLN C C 13 171.5 0.2 . 1 . . . . 136 GLN C . 25566 1 252 . 1 1 136 136 GLN CA C 13 57.3 0.2 . 1 . . . . 136 GLN CA . 25566 1 253 . 1 1 136 136 GLN CB C 13 30 0.2 . 1 . . . . 136 GLN CB . 25566 1 254 . 1 1 136 136 GLN N N 15 119.4 0.2 . 1 . . . . 136 GLN N . 25566 1 255 . 1 1 137 137 ALA H H 1 8.32 0.02 . 1 . . . . 137 ALA H . 25566 1 256 . 1 1 137 137 ALA CA C 13 51 0.2 . 1 . . . . 137 ALA CA . 25566 1 257 . 1 1 137 137 ALA CB C 13 24.1 0.2 . 1 . . . . 137 ALA CB . 25566 1 258 . 1 1 137 137 ALA N N 15 125.9 0.2 . 1 . . . . 137 ALA N . 25566 1 259 . 1 1 138 138 TRP HE1 H 1 10.35 0.2 . 1 . . . . 138 TRP HE1 . 25566 1 260 . 1 1 138 138 TRP NE1 N 15 129.7 0.2 . 1 . . . . 138 TRP NE1 . 25566 1 261 . 1 1 140 140 LYS C C 13 177.3 0.2 . 1 . . . . 140 LYS C . 25566 1 262 . 1 1 141 141 VAL H H 1 7.59 0.02 . 1 . . . . 141 VAL H . 25566 1 263 . 1 1 141 141 VAL CB C 13 31.9 0.2 . 1 . . . . 141 VAL CB . 25566 1 264 . 1 1 141 141 VAL N N 15 118.4 0.2 . 1 . . . . 141 VAL N . 25566 1 265 . 1 1 146 146 HIS C C 13 175.8 0.2 . 1 . . . . 146 HIS C . 25566 1 266 . 1 1 146 146 HIS CA C 13 59.5 0.2 . 1 . . . . 146 HIS CA . 25566 1 267 . 1 1 147 147 ALA H H 1 8.25 0.02 . 1 . . . . 147 ALA H . 25566 1 268 . 1 1 147 147 ALA C C 13 178.7 0.2 . 1 . . . . 147 ALA C . 25566 1 269 . 1 1 147 147 ALA CA C 13 56.1 0.2 . 1 . . . . 147 ALA CA . 25566 1 270 . 1 1 147 147 ALA CB C 13 18.2 0.2 . 1 . . . . 147 ALA CB . 25566 1 271 . 1 1 147 147 ALA N N 15 120.7 0.2 . 1 . . . . 147 ALA N . 25566 1 272 . 1 1 148 148 ASP H H 1 7.79 0.02 . 1 . . . . 148 ASP H . 25566 1 273 . 1 1 148 148 ASP C C 13 178.7 0.2 . 1 . . . . 148 ASP C . 25566 1 274 . 1 1 148 148 ASP CA C 13 57.2 0.2 . 1 . . . . 148 ASP CA . 25566 1 275 . 1 1 148 148 ASP CB C 13 40.9 0.2 . 1 . . . . 148 ASP CB . 25566 1 276 . 1 1 148 148 ASP N N 15 114.7 0.2 . 1 . . . . 148 ASP N . 25566 1 277 . 1 1 149 149 ALA H H 1 7.55 0.02 . 1 . . . . 149 ALA H . 25566 1 278 . 1 1 149 149 ALA CB C 13 17.6 0.2 . 1 . . . . 149 ALA CB . 25566 1 279 . 1 1 149 149 ALA N N 15 124 0.2 . 1 . . . . 149 ALA N . 25566 1 280 . 1 1 150 150 VAL C C 13 177.5 0.2 . 1 . . . . 150 VAL C . 25566 1 281 . 1 1 150 150 VAL CA C 13 65.4 0.2 . 1 . . . . 150 VAL CA . 25566 1 282 . 1 1 151 151 LEU H H 1 8.11 0.02 . 1 . . . . 151 LEU H . 25566 1 283 . 1 1 151 151 LEU C C 13 177.8 0.2 . 1 . . . . 151 LEU C . 25566 1 284 . 1 1 151 151 LEU CA C 13 57.9 0.2 . 1 . . . . 151 LEU CA . 25566 1 285 . 1 1 151 151 LEU CB C 13 40.4 0.2 . 1 . . . . 151 LEU CB . 25566 1 286 . 1 1 151 151 LEU N N 15 120.6 0.2 . 1 . . . . 151 LEU N . 25566 1 287 . 1 1 152 152 ALA H H 1 7.85 0.02 . 1 . . . . 152 ALA H . 25566 1 288 . 1 1 152 152 ALA C C 13 180.7 0.2 . 1 . . . . 152 ALA C . 25566 1 289 . 1 1 152 152 ALA CA C 13 55.3 0.2 . 1 . . . . 152 ALA CA . 25566 1 290 . 1 1 152 152 ALA CB C 13 17.7 0.2 . 1 . . . . 152 ALA CB . 25566 1 291 . 1 1 152 152 ALA N N 15 119.2 0.2 . 1 . . . . 152 ALA N . 25566 1 292 . 1 1 153 153 ALA H H 1 8 0.02 . 1 . . . . 153 ALA H . 25566 1 293 . 1 1 153 153 ALA C C 13 179.5 0.2 . 1 . . . . 153 ALA C . 25566 1 294 . 1 1 153 153 ALA CA C 13 55 0.2 . 1 . . . . 153 ALA CA . 25566 1 295 . 1 1 153 153 ALA CB C 13 18.4 0.2 . 1 . . . . 153 ALA CB . 25566 1 296 . 1 1 153 153 ALA N N 15 122 0.2 . 1 . . . . 153 ALA N . 25566 1 297 . 1 1 154 154 LEU H H 1 8.7 0.02 . 1 . . . . 154 LEU H . 25566 1 298 . 1 1 154 154 LEU CA C 13 58.7 0.2 . 1 . . . . 154 LEU CA . 25566 1 299 . 1 1 154 154 LEU CB C 13 41.2 0.2 . 1 . . . . 154 LEU CB . 25566 1 300 . 1 1 154 154 LEU N N 15 120.8 0.2 . 1 . . . . 154 LEU N . 25566 1 301 . 1 1 155 155 LYS H H 1 8.2 0.02 . 1 . . . . 155 LYS H . 25566 1 302 . 1 1 155 155 LYS C C 13 178.7 0.2 . 1 . . . . 155 LYS C . 25566 1 303 . 1 1 155 155 LYS CA C 13 60.1 0.2 . 1 . . . . 155 LYS CA . 25566 1 304 . 1 1 155 155 LYS CB C 13 32.2 0.2 . 1 . . . . 155 LYS CB . 25566 1 305 . 1 1 155 155 LYS N N 15 116.4 0.2 . 1 . . . . 155 LYS N . 25566 1 306 . 1 1 156 156 ALA H H 1 7.51 0.02 . 1 . . . . 156 ALA H . 25566 1 307 . 1 1 156 156 ALA CA C 13 54.8 0.2 . 1 . . . . 156 ALA CA . 25566 1 308 . 1 1 156 156 ALA CB C 13 18.1 0.2 . 1 . . . . 156 ALA CB . 25566 1 309 . 1 1 156 156 ALA N N 15 119.9 0.2 . 1 . . . . 156 ALA N . 25566 1 310 . 1 1 157 157 HIS H H 1 8.19 0.02 . 1 . . . . 157 HIS H . 25566 1 311 . 1 1 157 157 HIS C C 13 176.7 0.2 . 1 . . . . 157 HIS C . 25566 1 312 . 1 1 157 157 HIS CA C 13 59.5 0.2 . 1 . . . . 157 HIS CA . 25566 1 313 . 1 1 157 157 HIS N N 15 117.2 0.2 . 1 . . . . 157 HIS N . 25566 1 314 . 1 1 158 158 ALA H H 1 8.26 0.02 . 1 . . . . 158 ALA H . 25566 1 315 . 1 1 158 158 ALA C C 13 177.3 0.2 . 1 . . . . 158 ALA C . 25566 1 316 . 1 1 158 158 ALA CA C 13 53.4 0.2 . 1 . . . . 158 ALA CA . 25566 1 317 . 1 1 158 158 ALA CB C 13 18.2 0.2 . 1 . . . . 158 ALA CB . 25566 1 318 . 1 1 158 158 ALA N N 15 120.3 0.2 . 1 . . . . 158 ALA N . 25566 1 319 . 1 1 159 159 LYS H H 1 7.55 0.02 . 1 . . . . 159 LYS H . 25566 1 320 . 1 1 159 159 LYS C C 13 175.6 0.2 . 1 . . . . 159 LYS C . 25566 1 321 . 1 1 159 159 LYS CA C 13 56.9 0.2 . 1 . . . . 159 LYS CA . 25566 1 322 . 1 1 159 159 LYS CB C 13 31.9 0.2 . 1 . . . . 159 LYS CB . 25566 1 323 . 1 1 159 159 LYS N N 15 118.4 0.2 . 1 . . . . 159 LYS N . 25566 1 324 . 1 1 160 160 GLN H H 1 8.05 0.02 . 1 . . . . 160 GLN H . 25566 1 325 . 1 1 160 160 GLN CB C 13 30.6 0.2 . 1 . . . . 160 GLN CB . 25566 1 326 . 1 1 160 160 GLN CA C 13 57.4 0.2 . 1 . . . . 160 GLN CA . 25566 1 327 . 1 1 160 160 GLN N N 15 126 0.2 . 1 . . . . 160 GLN N . 25566 1 stop_ save_