################################### # 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 26863 _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' . . . 26863 1 3 '3D CBCA(CO)NH' . . . 26863 1 4 '3D HNCACB' . . . 26863 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 5 5 PRO CA C 13 63.18 0.3 . 1 . . . . 1096 PRO CA . 26863 1 2 . 1 1 5 5 PRO CB C 13 31.64 0.3 . 1 . . . . 1096 PRO CB . 26863 1 3 . 1 1 6 6 GLY H H 1 8.81 . . 1 . . . . 1097 GLY H . 26863 1 4 . 1 1 6 6 GLY CA C 13 46.13 0.3 . 1 . . . . 1097 GLY CA . 26863 1 5 . 1 1 6 6 GLY N N 15 111.23 . . 1 . . . . 1097 GLY N . 26863 1 6 . 1 1 7 7 LEU H H 1 7.46 . . 1 . . . . 1098 LEU H . 26863 1 7 . 1 1 7 7 LEU CA C 13 55.49 0.3 . 1 . . . . 1098 LEU CA . 26863 1 8 . 1 1 7 7 LEU CB C 13 42.89 0.3 . 1 . . . . 1098 LEU CB . 26863 1 9 . 1 1 7 7 LEU N N 15 122.27 . . 1 . . . . 1098 LEU N . 26863 1 10 . 1 1 8 8 ARG H H 1 8.93 . . 1 . . . . 1099 ARG H . 26863 1 11 . 1 1 8 8 ARG CA C 13 55.46 0.3 . 1 . . . . 1099 ARG CA . 26863 1 12 . 1 1 8 8 ARG CB C 13 33.48 0.3 . 1 . . . . 1099 ARG CB . 26863 1 13 . 1 1 8 8 ARG N N 15 123.32 . . 1 . . . . 1099 ARG N . 26863 1 14 . 1 1 9 9 GLU H H 1 8.60 . . 1 . . . . 1100 GLU H . 26863 1 15 . 1 1 9 9 GLU CA C 13 54.54 0.3 . 1 . . . . 1100 GLU CA . 26863 1 16 . 1 1 9 9 GLU CB C 13 32.66 0.3 . 1 . . . . 1100 GLU CB . 26863 1 17 . 1 1 9 9 GLU N N 15 123.99 . . 1 . . . . 1100 GLU N . 26863 1 18 . 1 1 10 10 LEU H H 1 9.13 . . 1 . . . . 1101 LEU H . 26863 1 19 . 1 1 10 10 LEU CA C 13 54.36 0.3 . 1 . . . . 1101 LEU CA . 26863 1 20 . 1 1 10 10 LEU CB C 13 44.89 0.3 . 1 . . . . 1101 LEU CB . 26863 1 21 . 1 1 10 10 LEU N N 15 125.99 . . 1 . . . . 1101 LEU N . 26863 1 22 . 1 1 11 11 CYS CA C 13 57.90 0.3 . 1 . . . . 1102 CYS CA . 26863 1 23 . 1 1 11 11 CYS CB C 13 27.69 0.3 . 1 . . . . 1102 CYS CB . 26863 1 24 . 1 1 12 12 ILE H H 1 9.38 . . 1 . . . . 1103 ILE H . 26863 1 25 . 1 1 12 12 ILE CA C 13 59.82 0.3 . 1 . . . . 1103 ILE CA . 26863 1 26 . 1 1 12 12 ILE CB C 13 40.52 0.3 . 1 . . . . 1103 ILE CB . 26863 1 27 . 1 1 12 12 ILE N N 15 130.33 . . 1 . . . . 1103 ILE N . 26863 1 28 . 1 1 13 13 GLN H H 1 8.68 . . 1 . . . . 1104 GLN H . 26863 1 29 . 1 1 13 13 GLN CA C 13 54.90 0.3 . 1 . . . . 1104 GLN CA . 26863 1 30 . 1 1 13 13 GLN CB C 13 30.03 0.3 . 1 . . . . 1104 GLN CB . 26863 1 31 . 1 1 13 13 GLN N N 15 126.65 . . 1 . . . . 1104 GLN N . 26863 1 32 . 1 1 14 14 LYS H H 1 8.72 . . 1 . . . . 1105 LYS H . 26863 1 33 . 1 1 14 14 LYS CA C 13 55.00 0.3 . 1 . . . . 1105 LYS CA . 26863 1 34 . 1 1 14 14 LYS CB C 13 35.03 0.3 . 1 . . . . 1105 LYS CB . 26863 1 35 . 1 1 14 14 LYS N N 15 123.68 . . 1 . . . . 1105 LYS N . 26863 1 36 . 1 1 15 15 ALA H H 1 9.13 . . 1 . . . . 1106 ALA H . 26863 1 37 . 1 1 15 15 ALA CA C 13 50.27 0.3 . 1 . . . . 1106 ALA CA . 26863 1 38 . 1 1 15 15 ALA CB C 13 17.19 0.3 . 1 . . . . 1106 ALA CB . 26863 1 39 . 1 1 15 15 ALA N N 15 128.25 . . 1 . . . . 1106 ALA N . 26863 1 40 . 1 1 16 16 PRO CA C 13 64.54 0.3 . 1 . . . . 1107 PRO CA . 26863 1 41 . 1 1 16 16 PRO CB C 13 31.22 0.3 . 1 . . . . 1107 PRO CB . 26863 1 42 . 1 1 17 17 GLY H H 1 8.77 . . 1 . . . . 1108 GLY H . 26863 1 43 . 1 1 17 17 GLY CA C 13 45.66 0.3 . 1 . . . . 1108 GLY CA . 26863 1 44 . 1 1 17 17 GLY N N 15 111.86 . . 1 . . . . 1108 GLY N . 26863 1 45 . 1 1 18 18 GLU H H 1 7.98 . . 1 . . . . 1109 GLU H . 26863 1 46 . 1 1 18 18 GLU CA C 13 55.64 0.3 . 1 . . . . 1109 GLU CA . 26863 1 47 . 1 1 18 18 GLU CB C 13 32.21 0.3 . 1 . . . . 1109 GLU CB . 26863 1 48 . 1 1 18 18 GLU N N 15 122.47 . . 1 . . . . 1109 GLU N . 26863 1 49 . 1 1 19 19 ARG H H 1 8.70 . . 1 . . . . 1110 ARG H . 26863 1 50 . 1 1 19 19 ARG CA C 13 55.24 0.3 . 1 . . . . 1110 ARG CA . 26863 1 51 . 1 1 19 19 ARG CB C 13 30.94 0.3 . 1 . . . . 1110 ARG CB . 26863 1 52 . 1 1 19 19 ARG N N 15 123.47 . . 1 . . . . 1110 ARG N . 26863 1 53 . 1 1 20 20 LEU H H 1 9.14 . . 1 . . . . 1111 LEU H . 26863 1 54 . 1 1 20 20 LEU CA C 13 58.20 0.3 . 1 . . . . 1111 LEU CA . 26863 1 55 . 1 1 20 20 LEU CB C 13 41.75 0.3 . 1 . . . . 1111 LEU CB . 26863 1 56 . 1 1 20 20 LEU N N 15 123.27 . . 1 . . . . 1111 LEU N . 26863 1 57 . 1 1 21 21 GLY H H 1 8.71 . . 1 . . . . 1112 GLY H . 26863 1 58 . 1 1 21 21 GLY CA C 13 47.32 0.3 . 1 . . . . 1112 GLY CA . 26863 1 59 . 1 1 21 21 GLY N N 15 104.19 . . 1 . . . . 1112 GLY N . 26863 1 60 . 1 1 22 22 ILE H H 1 7.67 . . 1 . . . . 1113 ILE H . 26863 1 61 . 1 1 22 22 ILE CA C 13 59.79 0.3 . 1 . . . . 1113 ILE CA . 26863 1 62 . 1 1 22 22 ILE CB C 13 41.44 0.3 . 1 . . . . 1113 ILE CB . 26863 1 63 . 1 1 22 22 ILE N N 15 115.26 . . 1 . . . . 1113 ILE N . 26863 1 64 . 1 1 23 23 SER H H 1 8.68 . . 1 . . . . 1114 SER H . 26863 1 65 . 1 1 23 23 SER CA C 13 57.59 0.3 . 1 . . . . 1114 SER CA . 26863 1 66 . 1 1 23 23 SER CB C 13 63.95 0.3 . 1 . . . . 1114 SER CB . 26863 1 67 . 1 1 23 23 SER N N 15 120.94 . . 1 . . . . 1114 SER N . 26863 1 68 . 1 1 24 24 ILE H H 1 8.97 . . 1 . . . . 1115 ILE H . 26863 1 69 . 1 1 24 24 ILE CA C 13 59.06 0.3 . 1 . . . . 1115 ILE CA . 26863 1 70 . 1 1 24 24 ILE CB C 13 42.97 0.3 . 1 . . . . 1115 ILE CB . 26863 1 71 . 1 1 24 24 ILE N N 15 117.25 . . 1 . . . . 1115 ILE N . 26863 1 72 . 1 1 25 25 ARG H H 1 9.38 . . 1 . . . . 1116 ARG H . 26863 1 73 . 1 1 25 25 ARG CA C 13 54.17 0.3 . 1 . . . . 1116 ARG CA . 26863 1 74 . 1 1 25 25 ARG CB C 13 33.98 0.3 . 1 . . . . 1116 ARG CB . 26863 1 75 . 1 1 25 25 ARG N N 15 119.75 . . 1 . . . . 1116 ARG N . 26863 1 76 . 1 1 26 26 GLY H H 1 8.76 . . 1 . . . . 1117 GLY H . 26863 1 77 . 1 1 26 26 GLY CA C 13 44.20 0.3 . 1 . . . . 1117 GLY CA . 26863 1 78 . 1 1 26 26 GLY N N 15 109.75 . . 1 . . . . 1117 GLY N . 26863 1 79 . 1 1 27 27 GLY H H 1 7.39 . . 1 . . . . 1118 GLY H . 26863 1 80 . 1 1 27 27 GLY CA C 13 44.09 0.3 . 1 . . . . 1118 GLY CA . 26863 1 81 . 1 1 27 27 GLY N N 15 106.82 . . 1 . . . . 1118 GLY N . 26863 1 82 . 1 1 28 28 ALA CA C 13 52.81 0.3 . 1 . . . . 1119 ALA CA . 26863 1 83 . 1 1 28 28 ALA CB C 13 19.49 0.3 . 1 . . . . 1119 ALA CB . 26863 1 84 . 1 1 29 29 ARG H H 1 8.84 . . 1 . . . . 1120 ARG H . 26863 1 85 . 1 1 29 29 ARG CA C 13 56.80 0.3 . 1 . . . . 1120 ARG CA . 26863 1 86 . 1 1 29 29 ARG CB C 13 30.03 0.3 . 1 . . . . 1120 ARG CB . 26863 1 87 . 1 1 29 29 ARG N N 15 119.59 . . 1 . . . . 1120 ARG N . 26863 1 88 . 1 1 30 30 GLY H H 1 8.19 . . 1 . . . . 1121 GLY H . 26863 1 89 . 1 1 30 30 GLY CA C 13 45.26 0.3 . 1 . . . . 1121 GLY CA . 26863 1 90 . 1 1 30 30 GLY N N 15 107.92 . . 1 . . . . 1121 GLY N . 26863 1 91 . 1 1 31 31 HIS CA C 13 55.36 0.3 . 1 . . . . 1122 HIS CA . 26863 1 92 . 1 1 31 31 HIS CB C 13 29.15 0.3 . 1 . . . . 1122 HIS CB . 26863 1 93 . 1 1 32 32 ALA H H 1 8.44 . . 1 . . . . 1123 ALA H . 26863 1 94 . 1 1 32 32 ALA CA C 13 52.94 0.3 . 1 . . . . 1123 ALA CA . 26863 1 95 . 1 1 32 32 ALA CB C 13 19.11 0.3 . 1 . . . . 1123 ALA CB . 26863 1 96 . 1 1 32 32 ALA N N 15 124.67 . . 1 . . . . 1123 ALA N . 26863 1 97 . 1 1 33 33 GLY H H 1 8.72 . . 1 . . . . 1124 GLY H . 26863 1 98 . 1 1 33 33 GLY CA C 13 45.63 0.3 . 1 . . . . 1124 GLY CA . 26863 1 99 . 1 1 33 33 GLY N N 15 109.49 . . 1 . . . . 1124 GLY N . 26863 1 100 . 1 1 34 34 ASN H H 1 8.47 . . 1 . . . . 1125 ASN H . 26863 1 101 . 1 1 34 34 ASN CA C 13 50.33 0.3 . 1 . . . . 1125 ASN CA . 26863 1 102 . 1 1 34 34 ASN CB C 13 38.84 0.3 . 1 . . . . 1125 ASN CB . 26863 1 103 . 1 1 34 34 ASN N N 15 119.33 . . 1 . . . . 1125 ASN N . 26863 1 104 . 1 1 35 35 PRO CA C 13 63.76 0.3 . 1 . . . . 1126 PRO CA . 26863 1 105 . 1 1 35 35 PRO CB C 13 31.91 0.3 . 1 . . . . 1126 PRO CB . 26863 1 106 . 1 1 36 36 ARG H H 1 8.08 . . 1 . . . . 1127 ARG H . 26863 1 107 . 1 1 36 36 ARG CA C 13 56.07 0.3 . 1 . . . . 1127 ARG CA . 26863 1 108 . 1 1 36 36 ARG CB C 13 30.79 0.3 . 1 . . . . 1127 ARG CB . 26863 1 109 . 1 1 36 36 ARG N N 15 117.43 . . 1 . . . . 1127 ARG N . 26863 1 110 . 1 1 37 37 ASP H H 1 7.76 . . 1 . . . . 1128 ASP H . 26863 1 111 . 1 1 37 37 ASP CA C 13 51.76 0.3 . 1 . . . . 1128 ASP CA . 26863 1 112 . 1 1 37 37 ASP CB C 13 41.10 0.3 . 1 . . . . 1128 ASP CB . 26863 1 113 . 1 1 37 37 ASP N N 15 119.28 . . 1 . . . . 1128 ASP N . 26863 1 114 . 1 1 38 38 PRO CA C 13 63.70 0.3 . 1 . . . . 1129 PRO CA . 26863 1 115 . 1 1 38 38 PRO CB C 13 31.97 0.3 . 1 . . . . 1129 PRO CB . 26863 1 116 . 1 1 39 39 THR H H 1 8.28 . . 1 . . . . 1130 THR H . 26863 1 117 . 1 1 39 39 THR CA C 13 62.43 0.3 . 1 . . . . 1130 THR CA . 26863 1 118 . 1 1 39 39 THR CB C 13 69.55 0.3 . 1 . . . . 1130 THR CB . 26863 1 119 . 1 1 39 39 THR N N 15 112.02 . . 1 . . . . 1130 THR N . 26863 1 120 . 1 1 40 40 ASP H H 1 7.91 . . 1 . . . . 1131 ASP H . 26863 1 121 . 1 1 40 40 ASP CA C 13 54.38 0.3 . 1 . . . . 1131 ASP CA . 26863 1 122 . 1 1 40 40 ASP CB C 13 41.78 0.3 . 1 . . . . 1131 ASP CB . 26863 1 123 . 1 1 40 40 ASP N N 15 122.65 . . 1 . . . . 1131 ASP N . 26863 1 124 . 1 1 41 41 GLU H H 1 8.57 . . 1 . . . . 1132 GLU H . 26863 1 125 . 1 1 41 41 GLU CA C 13 56.50 0.3 . 1 . . . . 1132 GLU CA . 26863 1 126 . 1 1 41 41 GLU CB C 13 30.05 0.3 . 1 . . . . 1132 GLU CB . 26863 1 127 . 1 1 41 41 GLU N N 15 124.32 . . 1 . . . . 1132 GLU N . 26863 1 128 . 1 1 42 42 GLY H H 1 8.64 . . 1 . . . . 1133 GLY H . 26863 1 129 . 1 1 42 42 GLY CA C 13 44.90 0.3 . 1 . . . . 1133 GLY CA . 26863 1 130 . 1 1 42 42 GLY N N 15 107.85 . . 1 . . . . 1133 GLY N . 26863 1 131 . 1 1 43 43 ILE H H 1 8.36 . . 1 . . . . 1134 ILE H . 26863 1 132 . 1 1 43 43 ILE CA C 13 59.32 0.3 . 1 . . . . 1134 ILE CA . 26863 1 133 . 1 1 43 43 ILE CB C 13 37.89 0.3 . 1 . . . . 1134 ILE CB . 26863 1 134 . 1 1 43 43 ILE N N 15 119.38 . . 1 . . . . 1134 ILE N . 26863 1 135 . 1 1 44 44 PHE H H 1 8.84 . . 1 . . . . 1135 PHE H . 26863 1 136 . 1 1 44 44 PHE CA C 13 55.01 0.3 . 1 . . . . 1135 PHE CA . 26863 1 137 . 1 1 44 44 PHE CB C 13 43.34 0.3 . 1 . . . . 1135 PHE CB . 26863 1 138 . 1 1 44 44 PHE N N 15 123.33 . . 1 . . . . 1135 PHE N . 26863 1 139 . 1 1 45 45 ILE H H 1 8.92 . . 1 . . . . 1136 ILE H . 26863 1 140 . 1 1 45 45 ILE CA C 13 62.49 0.3 . 1 . . . . 1136 ILE CA . 26863 1 141 . 1 1 45 45 ILE CB C 13 37.28 0.3 . 1 . . . . 1136 ILE CB . 26863 1 142 . 1 1 45 45 ILE N N 15 120.25 . . 1 . . . . 1136 ILE N . 26863 1 143 . 1 1 46 46 SER H H 1 9.67 . . 1 . . . . 1137 SER H . 26863 1 144 . 1 1 46 46 SER CA C 13 58.44 0.3 . 1 . . . . 1137 SER CA . 26863 1 145 . 1 1 46 46 SER CB C 13 64.93 0.3 . 1 . . . . 1137 SER CB . 26863 1 146 . 1 1 46 46 SER N N 15 126.60 . . 1 . . . . 1137 SER N . 26863 1 147 . 1 1 47 47 LYS H H 1 7.27 . . 1 . . . . 1138 LYS H . 26863 1 148 . 1 1 47 47 LYS CA C 13 57.24 0.3 . 1 . . . . 1138 LYS CA . 26863 1 149 . 1 1 47 47 LYS CB C 13 36.58 0.3 . 1 . . . . 1138 LYS CB . 26863 1 150 . 1 1 47 47 LYS N N 15 123.45 . . 1 . . . . 1138 LYS N . 26863 1 151 . 1 1 48 48 VAL H H 1 8.64 . . 1 . . . . 1139 VAL H . 26863 1 152 . 1 1 48 48 VAL CA C 13 61.01 0.3 . 1 . . . . 1139 VAL CA . 26863 1 153 . 1 1 48 48 VAL CB C 13 33.93 0.3 . 1 . . . . 1139 VAL CB . 26863 1 154 . 1 1 48 48 VAL N N 15 124.10 . . 1 . . . . 1139 VAL N . 26863 1 155 . 1 1 49 49 SER H H 1 8.74 . . 1 . . . . 1140 SER H . 26863 1 156 . 1 1 49 49 SER CA C 13 56.20 0.3 . 1 . . . . 1140 SER CA . 26863 1 157 . 1 1 49 49 SER CB C 13 63.32 0.3 . 1 . . . . 1140 SER CB . 26863 1 158 . 1 1 49 49 SER N N 15 123.35 . . 1 . . . . 1140 SER N . 26863 1 159 . 1 1 50 50 PRO CA C 13 64.79 0.3 . 1 . . . . 1141 PRO CA . 26863 1 160 . 1 1 50 50 PRO CB C 13 32.16 0.3 . 1 . . . . 1141 PRO CB . 26863 1 161 . 1 1 51 51 THR H H 1 7.49 . . 1 . . . . 1142 THR H . 26863 1 162 . 1 1 51 51 THR CA C 13 60.88 0.3 . 1 . . . . 1142 THR CA . 26863 1 163 . 1 1 51 51 THR CB C 13 69.18 0.3 . 1 . . . . 1142 THR CB . 26863 1 164 . 1 1 51 51 THR N N 15 103.82 . . 1 . . . . 1142 THR N . 26863 1 165 . 1 1 52 52 GLY H H 1 7.18 . . 1 . . . . 1143 GLY H . 26863 1 166 . 1 1 52 52 GLY CA C 13 44.60 0.3 . 1 . . . . 1143 GLY CA . 26863 1 167 . 1 1 52 52 GLY N N 15 109.65 . . 1 . . . . 1143 GLY N . 26863 1 168 . 1 1 53 53 ALA H H 1 8.83 . . 1 . . . . 1144 ALA H . 26863 1 169 . 1 1 53 53 ALA CA C 13 55.26 0.3 . 1 . . . . 1144 ALA CA . 26863 1 170 . 1 1 53 53 ALA CB C 13 19.88 0.3 . 1 . . . . 1144 ALA CB . 26863 1 171 . 1 1 53 53 ALA N N 15 120.35 . . 1 . . . . 1144 ALA N . 26863 1 172 . 1 1 54 54 ALA H H 1 8.50 . . 1 . . . . 1145 ALA H . 26863 1 173 . 1 1 54 54 ALA CA C 13 55.07 0.3 . 1 . . . . 1145 ALA CA . 26863 1 174 . 1 1 54 54 ALA CB C 13 19.67 0.3 . 1 . . . . 1145 ALA CB . 26863 1 175 . 1 1 54 54 ALA N N 15 117.83 . . 1 . . . . 1145 ALA N . 26863 1 176 . 1 1 55 55 GLY H H 1 9.24 . . 1 . . . . 1146 GLY H . 26863 1 177 . 1 1 55 55 GLY CA C 13 46.71 0.3 . 1 . . . . 1146 GLY CA . 26863 1 178 . 1 1 55 55 GLY N N 15 112.83 . . 1 . . . . 1146 GLY N . 26863 1 179 . 1 1 56 56 ARG H H 1 8.13 . . 1 . . . . 1147 ARG H . 26863 1 180 . 1 1 56 56 ARG CA C 13 59.17 0.3 . 1 . . . . 1147 ARG CA . 26863 1 181 . 1 1 56 56 ARG CB C 13 30.03 0.3 . 1 . . . . 1147 ARG CB . 26863 1 182 . 1 1 56 56 ARG N N 15 121.87 . . 1 . . . . 1147 ARG N . 26863 1 183 . 1 1 57 57 ASP H H 1 7.76 . . 1 . . . . 1148 ASP H . 26863 1 184 . 1 1 57 57 ASP CA C 13 57.32 0.3 . 1 . . . . 1148 ASP CA . 26863 1 185 . 1 1 57 57 ASP CB C 13 43.52 0.3 . 1 . . . . 1148 ASP CB . 26863 1 186 . 1 1 57 57 ASP N N 15 118.75 . . 1 . . . . 1148 ASP N . 26863 1 187 . 1 1 58 58 GLY H H 1 7.59 . . 1 . . . . 1149 GLY H . 26863 1 188 . 1 1 58 58 GLY CA C 13 46.47 0.3 . 1 . . . . 1149 GLY CA . 26863 1 189 . 1 1 58 58 GLY N N 15 102.72 . . 1 . . . . 1149 GLY N . 26863 1 190 . 1 1 59 59 ARG H H 1 7.99 . . 1 . . . . 1150 ARG H . 26863 1 191 . 1 1 59 59 ARG CA C 13 58.24 0.3 . 1 . . . . 1150 ARG CA . 26863 1 192 . 1 1 59 59 ARG CB C 13 32.27 0.3 . 1 . . . . 1150 ARG CB . 26863 1 193 . 1 1 59 59 ARG N N 15 119.22 . . 1 . . . . 1150 ARG N . 26863 1 194 . 1 1 60 60 LEU H H 1 9.13 . . 1 . . . . 1151 LEU H . 26863 1 195 . 1 1 60 60 LEU CA C 13 54.79 0.3 . 1 . . . . 1151 LEU CA . 26863 1 196 . 1 1 60 60 LEU CB C 13 42.66 0.3 . 1 . . . . 1151 LEU CB . 26863 1 197 . 1 1 60 60 LEU N N 15 119.47 . . 1 . . . . 1151 LEU N . 26863 1 198 . 1 1 61 61 ARG H H 1 6.34 . . 1 . . . . 1152 ARG H . 26863 1 199 . 1 1 61 61 ARG CA C 13 53.54 0.3 . 1 . . . . 1152 ARG CA . 26863 1 200 . 1 1 61 61 ARG CB C 13 33.37 0.3 . 1 . . . . 1152 ARG CB . 26863 1 201 . 1 1 61 61 ARG N N 15 115.19 . . 1 . . . . 1152 ARG N . 26863 1 202 . 1 1 62 62 VAL CA C 13 64.66 0.3 . 1 . . . . 1153 VAL CA . 26863 1 203 . 1 1 62 62 VAL CB C 13 31.82 0.3 . 1 . . . . 1153 VAL CB . 26863 1 204 . 1 1 63 63 GLY H H 1 8.98 . . 1 . . . . 1154 GLY H . 26863 1 205 . 1 1 63 63 GLY CA C 13 44.43 0.3 . 1 . . . . 1154 GLY CA . 26863 1 206 . 1 1 63 63 GLY N N 15 114.69 . . 1 . . . . 1154 GLY N . 26863 1 207 . 1 1 64 64 LEU H H 1 6.99 . . 1 . . . . 1155 LEU H . 26863 1 208 . 1 1 64 64 LEU CA C 13 55.42 0.3 . 1 . . . . 1155 LEU CA . 26863 1 209 . 1 1 64 64 LEU CB C 13 42.55 0.3 . 1 . . . . 1155 LEU CB . 26863 1 210 . 1 1 64 64 LEU N N 15 116.51 . . 1 . . . . 1155 LEU N . 26863 1 211 . 1 1 65 65 ARG CA C 13 55.31 0.3 . 1 . . . . 1156 ARG CA . 26863 1 212 . 1 1 65 65 ARG CB C 13 31.95 0.3 . 1 . . . . 1156 ARG CB . 26863 1 213 . 1 1 66 66 LEU H H 1 8.52 . . 1 . . . . 1157 LEU H . 26863 1 214 . 1 1 66 66 LEU CA C 13 53.82 0.3 . 1 . . . . 1157 LEU CA . 26863 1 215 . 1 1 66 66 LEU CB C 13 44.03 0.3 . 1 . . . . 1157 LEU CB . 26863 1 216 . 1 1 66 66 LEU N N 15 126.60 . . 1 . . . . 1157 LEU N . 26863 1 217 . 1 1 67 67 LEU H H 1 8.86 . . 1 . . . . 1158 LEU H . 26863 1 218 . 1 1 67 67 LEU CA C 13 55.99 0.3 . 1 . . . . 1158 LEU CA . 26863 1 219 . 1 1 67 67 LEU CB C 13 44.21 0.3 . 1 . . . . 1158 LEU CB . 26863 1 220 . 1 1 67 67 LEU N N 15 122.92 . . 1 . . . . 1158 LEU N . 26863 1 221 . 1 1 68 68 GLU H H 1 7.55 . . 1 . . . . 1159 GLU H . 26863 1 222 . 1 1 68 68 GLU CA C 13 55.50 0.3 . 1 . . . . 1159 GLU CA . 26863 1 223 . 1 1 68 68 GLU CB C 13 35.33 0.3 . 1 . . . . 1159 GLU CB . 26863 1 224 . 1 1 68 68 GLU N N 15 116.43 . . 1 . . . . 1159 GLU N . 26863 1 225 . 1 1 69 69 VAL H H 1 8.27 . . 1 . . . . 1160 VAL H . 26863 1 226 . 1 1 69 69 VAL CA C 13 60.99 0.3 . 1 . . . . 1160 VAL CA . 26863 1 227 . 1 1 69 69 VAL CB C 13 34.87 0.3 . 1 . . . . 1160 VAL CB . 26863 1 228 . 1 1 69 69 VAL N N 15 120.08 . . 1 . . . . 1160 VAL N . 26863 1 229 . 1 1 70 70 ASN H H 1 9.97 . . 1 . . . . 1161 ASN H . 26863 1 230 . 1 1 70 70 ASN CA C 13 54.24 0.3 . 1 . . . . 1161 ASN CA . 26863 1 231 . 1 1 70 70 ASN CB C 13 36.51 0.3 . 1 . . . . 1161 ASN CB . 26863 1 232 . 1 1 70 70 ASN N N 15 129.66 . . 1 . . . . 1161 ASN N . 26863 1 233 . 1 1 71 71 GLN H H 1 9.20 . . 1 . . . . 1162 GLN H . 26863 1 234 . 1 1 71 71 GLN CA C 13 57.96 0.3 . 1 . . . . 1162 GLN CA . 26863 1 235 . 1 1 71 71 GLN CB C 13 26.31 0.3 . 1 . . . . 1162 GLN CB . 26863 1 236 . 1 1 71 71 GLN N N 15 107.65 . . 1 . . . . 1162 GLN N . 26863 1 237 . 1 1 72 72 GLN H H 1 7.91 . . 1 . . . . 1163 GLN H . 26863 1 238 . 1 1 72 72 GLN CA C 13 54.10 0.3 . 1 . . . . 1163 GLN CA . 26863 1 239 . 1 1 72 72 GLN CB C 13 29.25 0.3 . 1 . . . . 1163 GLN CB . 26863 1 240 . 1 1 72 72 GLN N N 15 111.92 . . 1 . . . . 1163 GLN N . 26863 1 241 . 1 1 73 73 SER H H 1 8.70 . . 1 . . . . 1164 SER H . 26863 1 242 . 1 1 73 73 SER CA C 13 58.50 0.3 . 1 . . . . 1164 SER CA . 26863 1 243 . 1 1 73 73 SER CB C 13 63.45 0.3 . 1 . . . . 1164 SER CB . 26863 1 244 . 1 1 73 73 SER N N 15 118.28 . . 1 . . . . 1164 SER N . 26863 1 245 . 1 1 74 74 LEU H H 1 8.03 . . 1 . . . . 1165 LEU H . 26863 1 246 . 1 1 74 74 LEU CA C 13 54.91 0.3 . 1 . . . . 1165 LEU CA . 26863 1 247 . 1 1 74 74 LEU CB C 13 40.67 0.3 . 1 . . . . 1165 LEU CB . 26863 1 248 . 1 1 74 74 LEU N N 15 125.02 . . 1 . . . . 1165 LEU N . 26863 1 249 . 1 1 75 75 LEU H H 1 8.07 . . 1 . . . . 1166 LEU H . 26863 1 250 . 1 1 75 75 LEU CA C 13 57.03 0.3 . 1 . . . . 1166 LEU CA . 26863 1 251 . 1 1 75 75 LEU CB C 13 40.94 0.3 . 1 . . . . 1166 LEU CB . 26863 1 252 . 1 1 75 75 LEU N N 15 123.17 . . 1 . . . . 1166 LEU N . 26863 1 253 . 1 1 76 76 GLY H H 1 8.77 . . 1 . . . . 1167 GLY H . 26863 1 254 . 1 1 76 76 GLY CA C 13 45.67 0.3 . 1 . . . . 1167 GLY CA . 26863 1 255 . 1 1 76 76 GLY N N 15 113.90 . . 1 . . . . 1167 GLY N . 26863 1 256 . 1 1 77 77 LEU H H 1 7.70 . . 1 . . . . 1168 LEU H . 26863 1 257 . 1 1 77 77 LEU CA C 13 55.34 0.3 . 1 . . . . 1168 LEU CA . 26863 1 258 . 1 1 77 77 LEU CB C 13 41.61 0.3 . 1 . . . . 1168 LEU CB . 26863 1 259 . 1 1 77 77 LEU N N 15 120.30 . . 1 . . . . 1168 LEU N . 26863 1 260 . 1 1 78 78 THR H H 1 8.96 . . 1 . . . . 1169 THR H . 26863 1 261 . 1 1 78 78 THR CA C 13 60.86 0.3 . 1 . . . . 1169 THR CA . 26863 1 262 . 1 1 78 78 THR CB C 13 71.70 0.3 . 1 . . . . 1169 THR CB . 26863 1 263 . 1 1 78 78 THR N N 15 112.43 . . 1 . . . . 1169 THR N . 26863 1 264 . 1 1 79 79 HIS H H 1 9.51 . . 1 . . . . 1170 HIS H . 26863 1 265 . 1 1 79 79 HIS CA C 13 61.26 0.3 . 1 . . . . 1170 HIS CA . 26863 1 266 . 1 1 79 79 HIS CB C 13 29.24 0.3 . 1 . . . . 1170 HIS CB . 26863 1 267 . 1 1 79 79 HIS N N 15 120.47 . . 1 . . . . 1170 HIS N . 26863 1 268 . 1 1 80 80 GLY H H 1 8.92 . . 1 . . . . 1171 GLY H . 26863 1 269 . 1 1 80 80 GLY CA C 13 47.10 0.3 . 1 . . . . 1171 GLY CA . 26863 1 270 . 1 1 80 80 GLY N N 15 104.20 . . 1 . . . . 1171 GLY N . 26863 1 271 . 1 1 81 81 GLU H H 1 7.78 . . 1 . . . . 1172 GLU H . 26863 1 272 . 1 1 81 81 GLU CA C 13 58.97 0.3 . 1 . . . . 1172 GLU CA . 26863 1 273 . 1 1 81 81 GLU CB C 13 30.69 0.3 . 1 . . . . 1172 GLU CB . 26863 1 274 . 1 1 81 81 GLU N N 15 121.96 . . 1 . . . . 1172 GLU N . 26863 1 275 . 1 1 82 82 ALA CA C 13 55.38 0.3 . 1 . . . . 1173 ALA CA . 26863 1 276 . 1 1 82 82 ALA CB C 13 18.51 0.3 . 1 . . . . 1173 ALA CB . 26863 1 277 . 1 1 83 83 VAL H H 1 8.44 . . 1 . . . . 1174 VAL H . 26863 1 278 . 1 1 83 83 VAL CA C 13 66.84 0.3 . 1 . . . . 1174 VAL CA . 26863 1 279 . 1 1 83 83 VAL CB C 13 31.77 0.3 . 1 . . . . 1174 VAL CB . 26863 1 280 . 1 1 83 83 VAL N N 15 117.99 . . 1 . . . . 1174 VAL N . 26863 1 281 . 1 1 84 84 GLN H H 1 7.61 . . 1 . . . . 1175 GLN H . 26863 1 282 . 1 1 84 84 GLN CA C 13 58.56 0.3 . 1 . . . . 1175 GLN CA . 26863 1 283 . 1 1 84 84 GLN CB C 13 28.22 0.3 . 1 . . . . 1175 GLN CB . 26863 1 284 . 1 1 84 84 GLN N N 15 118.20 . . 1 . . . . 1175 GLN N . 26863 1 285 . 1 1 85 85 LEU H H 1 7.66 . . 1 . . . . 1176 LEU H . 26863 1 286 . 1 1 85 85 LEU CA C 13 58.16 0.3 . 1 . . . . 1176 LEU CA . 26863 1 287 . 1 1 85 85 LEU CB C 13 41.67 0.3 . 1 . . . . 1176 LEU CB . 26863 1 288 . 1 1 85 85 LEU N N 15 120.54 . . 1 . . . . 1176 LEU N . 26863 1 289 . 1 1 86 86 LEU H H 1 7.81 . . 1 . . . . 1177 LEU H . 26863 1 290 . 1 1 86 86 LEU CA C 13 57.64 0.3 . 1 . . . . 1177 LEU CA . 26863 1 291 . 1 1 86 86 LEU CB C 13 41.47 0.3 . 1 . . . . 1177 LEU CB . 26863 1 292 . 1 1 86 86 LEU N N 15 118.91 . . 1 . . . . 1177 LEU N . 26863 1 293 . 1 1 87 87 ARG H H 1 7.90 . . 1 . . . . 1178 ARG H . 26863 1 294 . 1 1 87 87 ARG CA C 13 57.55 0.3 . 1 . . . . 1178 ARG CA . 26863 1 295 . 1 1 87 87 ARG CB C 13 30.44 0.3 . 1 . . . . 1178 ARG CB . 26863 1 296 . 1 1 87 87 ARG N N 15 117.45 . . 1 . . . . 1178 ARG N . 26863 1 297 . 1 1 88 88 SER CA C 13 59.09 0.3 . 1 . . . . 1179 SER CA . 26863 1 298 . 1 1 88 88 SER CB C 13 64.19 0.3 . 1 . . . . 1179 SER CB . 26863 1 299 . 1 1 89 89 VAL H H 1 7.35 . . 1 . . . . 1180 VAL H . 26863 1 300 . 1 1 89 89 VAL CA C 13 62.63 0.3 . 1 . . . . 1180 VAL CA . 26863 1 301 . 1 1 89 89 VAL CB C 13 32.38 0.3 . 1 . . . . 1180 VAL CB . 26863 1 302 . 1 1 89 89 VAL N N 15 118.79 . . 1 . . . . 1180 VAL N . 26863 1 303 . 1 1 90 90 GLY H H 1 8.72 . . 1 . . . . 1181 GLY H . 26863 1 304 . 1 1 90 90 GLY CA C 13 44.73 0.3 . 1 . . . . 1181 GLY CA . 26863 1 305 . 1 1 90 90 GLY N N 15 113.05 . . 1 . . . . 1181 GLY N . 26863 1 306 . 1 1 91 91 ASP H H 1 8.39 . . 1 . . . . 1182 ASP H . 26863 1 307 . 1 1 91 91 ASP CA C 13 55.83 0.3 . 1 . . . . 1182 ASP CA . 26863 1 308 . 1 1 91 91 ASP CB C 13 40.97 0.3 . 1 . . . . 1182 ASP CB . 26863 1 309 . 1 1 91 91 ASP N N 15 120.34 . . 1 . . . . 1182 ASP N . 26863 1 310 . 1 1 92 92 THR CA C 13 61.22 0.3 . 1 . . . . 1183 THR CA . 26863 1 311 . 1 1 92 92 THR CB C 13 71.42 0.3 . 1 . . . . 1183 THR CB . 26863 1 312 . 1 1 93 93 LEU H H 1 9.05 . . 1 . . . . 1184 LEU H . 26863 1 313 . 1 1 93 93 LEU CA C 13 54.08 0.3 . 1 . . . . 1184 LEU CA . 26863 1 314 . 1 1 93 93 LEU CB C 13 44.35 0.3 . 1 . . . . 1184 LEU CB . 26863 1 315 . 1 1 93 93 LEU N N 15 126.61 . . 1 . . . . 1184 LEU N . 26863 1 316 . 1 1 94 94 THR H H 1 8.83 . . 1 . . . . 1185 THR H . 26863 1 317 . 1 1 94 94 THR CA C 13 61.05 0.3 . 1 . . . . 1185 THR CA . 26863 1 318 . 1 1 94 94 THR CB C 13 69.98 0.3 . 1 . . . . 1185 THR CB . 26863 1 319 . 1 1 94 94 THR N N 15 120.86 . . 1 . . . . 1185 THR N . 26863 1 320 . 1 1 95 95 VAL H H 1 9.22 . . 1 . . . . 1186 VAL H . 26863 1 321 . 1 1 95 95 VAL CA C 13 58.24 0.3 . 1 . . . . 1186 VAL CA . 26863 1 322 . 1 1 95 95 VAL CB C 13 34.75 0.3 . 1 . . . . 1186 VAL CB . 26863 1 323 . 1 1 95 95 VAL N N 15 119.72 . . 1 . . . . 1186 VAL N . 26863 1 324 . 1 1 96 96 LEU H H 1 8.21 . . 1 . . . . 1187 LEU H . 26863 1 325 . 1 1 96 96 LEU CA C 13 53.96 0.3 . 1 . . . . 1187 LEU CA . 26863 1 326 . 1 1 96 96 LEU CB C 13 44.78 0.3 . 1 . . . . 1187 LEU CB . 26863 1 327 . 1 1 96 96 LEU N N 15 126.16 . . 1 . . . . 1187 LEU N . 26863 1 328 . 1 1 97 97 VAL H H 1 9.01 . . 1 . . . . 1188 VAL H . 26863 1 329 . 1 1 97 97 VAL CA C 13 57.99 0.3 . 1 . . . . 1188 VAL CA . 26863 1 330 . 1 1 97 97 VAL CB C 13 36.10 0.3 . 1 . . . . 1188 VAL CB . 26863 1 331 . 1 1 97 97 VAL N N 15 119.38 . . 1 . . . . 1188 VAL N . 26863 1 332 . 1 1 98 98 CYS H H 1 8.67 . . 1 . . . . 1189 CYS H . 26863 1 333 . 1 1 98 98 CYS CA C 13 56.50 0.3 . 1 . . . . 1189 CYS CA . 26863 1 334 . 1 1 98 98 CYS CB C 13 30.82 0.3 . 1 . . . . 1189 CYS CB . 26863 1 335 . 1 1 98 98 CYS N N 15 113.62 . . 1 . . . . 1189 CYS N . 26863 1 336 . 1 1 99 99 ASP CA C 13 55.68 0.3 . 1 . . . . 1190 ASP CA . 26863 1 337 . 1 1 99 99 ASP CB C 13 40.89 0.3 . 1 . . . . 1190 ASP CB . 26863 1 338 . 1 1 100 100 GLY H H 1 8.56 . . 1 . . . . 1191 GLY H . 26863 1 339 . 1 1 100 100 GLY CA C 13 45.61 0.3 . 1 . . . . 1191 GLY CA . 26863 1 340 . 1 1 100 100 GLY N N 15 109.57 . . 1 . . . . 1191 GLY N . 26863 1 stop_ save_