################################### # 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 25078 _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' . . . 25078 1 2 '3D TROSY-HNCA' . . . 25078 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 3 3 MET H H 1 8.379 0.020 . 1 . . . . 183 MET H . 25078 1 2 . 1 1 3 3 MET C C 13 174.787 0.300 . 1 . . . . 183 MET C . 25078 1 3 . 1 1 3 3 MET CA C 13 54.591 0.300 . 1 . . . . 183 MET CA . 25078 1 4 . 1 1 3 3 MET N N 15 120.278 0.300 . 1 . . . . 183 MET N . 25078 1 5 . 1 1 4 4 ALA H H 1 8.649 0.020 . 1 . . . . 184 ALA H . 25078 1 6 . 1 1 4 4 ALA C C 13 177.149 0.300 . 1 . . . . 184 ALA C . 25078 1 7 . 1 1 4 4 ALA CA C 13 51.740 0.300 . 1 . . . . 184 ALA CA . 25078 1 8 . 1 1 4 4 ALA N N 15 130.004 0.300 . 1 . . . . 184 ALA N . 25078 1 9 . 1 1 5 5 THR H H 1 8.137 0.020 . 1 . . . . 185 THR H . 25078 1 10 . 1 1 5 5 THR CA C 13 61.672 0.300 . 1 . . . . 185 THR CA . 25078 1 11 . 1 1 5 5 THR N N 15 115.379 0.300 . 1 . . . . 185 THR N . 25078 1 12 . 1 1 7 7 GLU H H 1 8.505 0.020 . 1 . . . . 187 GLU H . 25078 1 13 . 1 1 7 7 GLU C C 13 173.191 0.300 . 1 . . . . 187 GLU C . 25078 1 14 . 1 1 7 7 GLU CA C 13 53.933 0.300 . 1 . . . . 187 GLU CA . 25078 1 15 . 1 1 7 7 GLU N N 15 121.132 0.300 . 1 . . . . 187 GLU N . 25078 1 16 . 1 1 8 8 THR H H 1 7.973 0.020 . 1 . . . . 188 THR H . 25078 1 17 . 1 1 8 8 THR CA C 13 60.012 0.300 . 1 . . . . 188 THR CA . 25078 1 18 . 1 1 8 8 THR N N 15 106.326 0.300 . 1 . . . . 188 THR N . 25078 1 19 . 1 1 9 9 GLY H H 1 9.048 0.020 . 1 . . . . 189 GLY H . 25078 1 20 . 1 1 9 9 GLY C C 13 170.891 0.300 . 1 . . . . 189 GLY C . 25078 1 21 . 1 1 9 9 GLY CA C 13 46.100 0.300 . 1 . . . . 189 GLY CA . 25078 1 22 . 1 1 9 9 GLY N N 15 109.427 0.300 . 1 . . . . 189 GLY N . 25078 1 23 . 1 1 10 10 ILE H H 1 8.626 0.020 . 1 . . . . 190 ILE H . 25078 1 24 . 1 1 10 10 ILE C C 13 176.383 0.300 . 1 . . . . 190 ILE C . 25078 1 25 . 1 1 10 10 ILE CA C 13 58.006 0.300 . 1 . . . . 190 ILE CA . 25078 1 26 . 1 1 10 10 ILE N N 15 118.776 0.300 . 1 . . . . 190 ILE N . 25078 1 27 . 1 1 11 11 ILE H H 1 8.503 0.020 . 1 . . . . 191 ILE H . 25078 1 28 . 1 1 11 11 ILE CA C 13 60.513 0.300 . 1 . . . . 191 ILE CA . 25078 1 29 . 1 1 11 11 ILE N N 15 124.579 0.300 . 1 . . . . 191 ILE N . 25078 1 30 . 1 1 12 12 GLU H H 1 9.048 0.020 . 1 . . . . 192 GLU H . 25078 1 31 . 1 1 12 12 GLU CA C 13 56.534 0.300 . 1 . . . . 192 GLU CA . 25078 1 32 . 1 1 12 12 GLU N N 15 131.953 0.300 . 1 . . . . 192 GLU N . 25078 1 33 . 1 1 13 13 LYS H H 1 7.460 0.020 . 1 . . . . 193 LYS H . 25078 1 34 . 1 1 13 13 LYS C C 13 173.339 0.300 . 1 . . . . 193 LYS C . 25078 1 35 . 1 1 13 13 LYS CA C 13 55.970 0.300 . 1 . . . . 193 LYS CA . 25078 1 36 . 1 1 13 13 LYS N N 15 118.090 0.300 . 1 . . . . 193 LYS N . 25078 1 37 . 1 1 14 14 LEU H H 1 8.425 0.020 . 1 . . . . 194 LEU H . 25078 1 38 . 1 1 14 14 LEU CA C 13 54.560 0.300 . 1 . . . . 194 LEU CA . 25078 1 39 . 1 1 14 14 LEU N N 15 125.299 0.300 . 1 . . . . 194 LEU N . 25078 1 40 . 1 1 18 18 TYR H H 1 7.964 0.020 . 1 . . . . 198 TYR H . 25078 1 41 . 1 1 18 18 TYR C C 13 170.953 0.300 . 1 . . . . 198 TYR C . 25078 1 42 . 1 1 18 18 TYR CA C 13 54.905 0.300 . 1 . . . . 198 TYR CA . 25078 1 43 . 1 1 18 18 TYR N N 15 123.918 0.300 . 1 . . . . 198 TYR N . 25078 1 44 . 1 1 19 19 GLY H H 1 7.525 0.020 . 1 . . . . 199 GLY H . 25078 1 45 . 1 1 19 19 GLY C C 13 168.818 0.300 . 1 . . . . 199 GLY C . 25078 1 46 . 1 1 19 19 GLY CA C 13 45.348 0.300 . 1 . . . . 199 GLY CA . 25078 1 47 . 1 1 19 19 GLY N N 15 104.632 0.300 . 1 . . . . 199 GLY N . 25078 1 48 . 1 1 20 20 PHE H H 1 8.539 0.020 . 1 . . . . 200 PHE H . 25078 1 49 . 1 1 20 20 PHE C C 13 175.326 0.300 . 1 . . . . 200 PHE C . 25078 1 50 . 1 1 20 20 PHE CA C 13 56.503 0.300 . 1 . . . . 200 PHE CA . 25078 1 51 . 1 1 20 20 PHE N N 15 112.320 0.300 . 1 . . . . 200 PHE N . 25078 1 52 . 1 1 21 21 ILE H H 1 9.466 0.020 . 1 . . . . 201 ILE H . 25078 1 53 . 1 1 21 21 ILE C C 13 175.098 0.300 . 1 . . . . 201 ILE C . 25078 1 54 . 1 1 21 21 ILE CA C 13 59.228 0.300 . 1 . . . . 201 ILE CA . 25078 1 55 . 1 1 21 21 ILE N N 15 124.313 0.300 . 1 . . . . 201 ILE N . 25078 1 56 . 1 1 22 22 GLN H H 1 9.122 0.020 . 1 . . . . 202 GLN H . 25078 1 57 . 1 1 22 22 GLN HE21 H 1 6.709 0.020 . 1 . . . . 202 GLN HE21 . 25078 1 58 . 1 1 22 22 GLN HE22 H 1 7.954 0.020 . 1 . . . . 202 GLN HE22 . 25078 1 59 . 1 1 22 22 GLN C C 13 175.740 0.300 . 1 . . . . 202 GLN C . 25078 1 60 . 1 1 22 22 GLN CA C 13 54.247 0.300 . 1 . . . . 202 GLN CA . 25078 1 61 . 1 1 22 22 GLN N N 15 126.911 0.300 . 1 . . . . 202 GLN N . 25078 1 62 . 1 1 22 22 GLN NE2 N 15 111.819 0.300 . 1 . . . . 202 GLN NE2 . 25078 1 63 . 1 1 23 23 CYS H H 1 8.507 0.020 . 1 . . . . 203 CYS H . 25078 1 64 . 1 1 23 23 CYS CA C 13 62.424 0.300 . 1 . . . . 203 CYS CA . 25078 1 65 . 1 1 23 23 CYS N N 15 127.704 0.300 . 1 . . . . 203 CYS N . 25078 1 66 . 1 1 24 24 CYS H H 1 8.737 0.020 . 1 . . . . 204 CYS H . 25078 1 67 . 1 1 24 24 CYS N N 15 118.727 0.300 . 1 . . . . 204 CYS N . 25078 1 68 . 1 1 25 25 GLU H H 1 9.104 0.020 . 1 . . . . 205 GLU H . 25078 1 69 . 1 1 25 25 GLU C C 13 174.704 0.300 . 1 . . . . 205 GLU C . 25078 1 70 . 1 1 25 25 GLU CA C 13 56.503 0.300 . 1 . . . . 205 GLU CA . 25078 1 71 . 1 1 25 25 GLU N N 15 120.074 0.300 . 1 . . . . 205 GLU N . 25078 1 72 . 1 1 26 26 ARG H H 1 7.476 0.020 . 1 . . . . 206 ARG H . 25078 1 73 . 1 1 26 26 ARG CA C 13 53.589 0.300 . 1 . . . . 206 ARG CA . 25078 1 74 . 1 1 26 26 ARG N N 15 114.709 0.300 . 1 . . . . 206 ARG N . 25078 1 75 . 1 1 28 28 ALA H H 1 7.870 0.020 . 1 . . . . 208 ALA H . 25078 1 76 . 1 1 28 28 ALA C C 13 173.651 0.300 . 1 . . . . 208 ALA C . 25078 1 77 . 1 1 28 28 ALA CA C 13 51.991 0.300 . 1 . . . . 208 ALA CA . 25078 1 78 . 1 1 28 28 ALA N N 15 124.927 0.300 . 1 . . . . 208 ALA N . 25078 1 79 . 1 1 29 29 ARG H H 1 8.250 0.020 . 1 . . . . 209 ARG H . 25078 1 80 . 1 1 29 29 ARG C C 13 175.699 0.300 . 1 . . . . 209 ARG C . 25078 1 81 . 1 1 29 29 ARG CA C 13 54.278 0.300 . 1 . . . . 209 ARG CA . 25078 1 82 . 1 1 29 29 ARG N N 15 123.232 0.300 . 1 . . . . 209 ARG N . 25078 1 83 . 1 1 30 30 LEU H H 1 8.909 0.020 . 1 . . . . 210 LEU H . 25078 1 84 . 1 1 30 30 LEU C C 13 175.574 0.300 . 1 . . . . 210 LEU C . 25078 1 85 . 1 1 30 30 LEU CA C 13 52.774 0.300 . 1 . . . . 210 LEU CA . 25078 1 86 . 1 1 30 30 LEU N N 15 125.051 0.300 . 1 . . . . 210 LEU N . 25078 1 87 . 1 1 31 31 PHE H H 1 8.531 0.020 . 1 . . . . 211 PHE H . 25078 1 88 . 1 1 31 31 PHE C C 13 173.523 0.300 . 1 . . . . 211 PHE C . 25078 1 89 . 1 1 31 31 PHE CA C 13 56.691 0.300 . 1 . . . . 211 PHE CA . 25078 1 90 . 1 1 31 31 PHE N N 15 125.271 0.300 . 1 . . . . 211 PHE N . 25078 1 91 . 1 1 32 32 PHE H H 1 7.559 0.020 . 1 . . . . 212 PHE H . 25078 1 92 . 1 1 32 32 PHE C C 13 170.269 0.300 . 1 . . . . 212 PHE C . 25078 1 93 . 1 1 32 32 PHE CA C 13 54.999 0.300 . 1 . . . . 212 PHE CA . 25078 1 94 . 1 1 32 32 PHE N N 15 123.191 0.300 . 1 . . . . 212 PHE N . 25078 1 95 . 1 1 33 33 HIS H H 1 8.844 0.020 . 1 . . . . 213 HIS H . 25078 1 96 . 1 1 33 33 HIS C C 13 177.439 0.300 . 1 . . . . 213 HIS C . 25078 1 97 . 1 1 33 33 HIS CA C 13 55.970 0.300 . 1 . . . . 213 HIS CA . 25078 1 98 . 1 1 33 33 HIS N N 15 121.207 0.300 . 1 . . . . 213 HIS N . 25078 1 99 . 1 1 34 34 PHE H H 1 7.652 0.020 . 1 . . . . 214 PHE H . 25078 1 100 . 1 1 34 34 PHE CA C 13 57.568 0.300 . 1 . . . . 214 PHE CA . 25078 1 101 . 1 1 34 34 PHE N N 15 125.797 0.300 . 1 . . . . 214 PHE N . 25078 1 102 . 1 1 36 36 GLN H H 1 8.169 0.020 . 1 . . . . 216 GLN H . 25078 1 103 . 1 1 36 36 GLN C C 13 174.310 0.300 . 1 . . . . 216 GLN C . 25078 1 104 . 1 1 36 36 GLN CA C 13 54.717 0.300 . 1 . . . . 216 GLN CA . 25078 1 105 . 1 1 36 36 GLN N N 15 120.030 0.300 . 1 . . . . 216 GLN N . 25078 1 106 . 1 1 37 37 PHE H H 1 7.876 0.020 . 1 . . . . 217 PHE H . 25078 1 107 . 1 1 37 37 PHE C C 13 174.020 0.300 . 1 . . . . 217 PHE C . 25078 1 108 . 1 1 37 37 PHE CA C 13 56.628 0.300 . 1 . . . . 217 PHE CA . 25078 1 109 . 1 1 37 37 PHE N N 15 122.215 0.300 . 1 . . . . 217 PHE N . 25078 1 110 . 1 1 38 38 SER H H 1 8.069 0.020 . 1 . . . . 218 SER H . 25078 1 111 . 1 1 38 38 SER C C 13 172.466 0.300 . 1 . . . . 218 SER C . 25078 1 112 . 1 1 38 38 SER CA C 13 56.659 0.300 . 1 . . . . 218 SER CA . 25078 1 113 . 1 1 38 38 SER N N 15 124.133 0.300 . 1 . . . . 218 SER N . 25078 1 114 . 1 1 39 39 GLY H H 1 7.117 0.020 . 1 . . . . 219 GLY H . 25078 1 115 . 1 1 39 39 GLY CA C 13 43.656 0.300 . 1 . . . . 219 GLY CA . 25078 1 116 . 1 1 39 39 GLY N N 15 110.915 0.300 . 1 . . . . 219 GLY N . 25078 1 117 . 1 1 41 41 ILE H H 1 8.649 0.020 . 1 . . . . 221 ILE H . 25078 1 118 . 1 1 41 41 ILE C C 13 176.217 0.300 . 1 . . . . 221 ILE C . 25078 1 119 . 1 1 41 41 ILE CA C 13 61.578 0.300 . 1 . . . . 221 ILE CA . 25078 1 120 . 1 1 41 41 ILE N N 15 128.288 0.300 . 1 . . . . 221 ILE N . 25078 1 121 . 1 1 42 42 ASP H H 1 7.980 0.020 . 1 . . . . 222 ASP H . 25078 1 122 . 1 1 42 42 ASP C C 13 176.818 0.300 . 1 . . . . 222 ASP C . 25078 1 123 . 1 1 42 42 ASP CA C 13 55.531 0.300 . 1 . . . . 222 ASP CA . 25078 1 124 . 1 1 42 42 ASP N N 15 119.911 0.300 . 1 . . . . 222 ASP N . 25078 1 125 . 1 1 43 43 HIS H H 1 7.424 0.020 . 1 . . . . 223 HIS H . 25078 1 126 . 1 1 43 43 HIS C C 13 173.543 0.300 . 1 . . . . 223 HIS C . 25078 1 127 . 1 1 43 43 HIS CA C 13 53.714 0.300 . 1 . . . . 223 HIS CA . 25078 1 128 . 1 1 43 43 HIS N N 15 115.346 0.300 . 1 . . . . 223 HIS N . 25078 1 129 . 1 1 44 44 LEU H H 1 7.111 0.020 . 1 . . . . 224 LEU H . 25078 1 130 . 1 1 44 44 LEU C C 13 174.393 0.300 . 1 . . . . 224 LEU C . 25078 1 131 . 1 1 44 44 LEU CA C 13 54.497 0.300 . 1 . . . . 224 LEU CA . 25078 1 132 . 1 1 44 44 LEU N N 15 123.728 0.300 . 1 . . . . 224 LEU N . 25078 1 133 . 1 1 45 45 LYS H H 1 8.639 0.020 . 1 . . . . 225 LYS H . 25078 1 134 . 1 1 45 45 LYS C C 13 175.719 0.300 . 1 . . . . 225 LYS C . 25078 1 135 . 1 1 45 45 LYS CA C 13 53.589 0.300 . 1 . . . . 225 LYS CA . 25078 1 136 . 1 1 45 45 LYS N N 15 125.299 0.300 . 1 . . . . 225 LYS N . 25078 1 137 . 1 1 46 46 ILE H H 1 7.954 0.020 . 1 . . . . 226 ILE H . 25078 1 138 . 1 1 46 46 ILE C C 13 177.315 0.300 . 1 . . . . 226 ILE C . 25078 1 139 . 1 1 46 46 ILE CA C 13 62.456 0.300 . 1 . . . . 226 ILE CA . 25078 1 140 . 1 1 46 46 ILE N N 15 118.622 0.300 . 1 . . . . 226 ILE N . 25078 1 141 . 1 1 47 47 GLY H H 1 9.003 0.020 . 1 . . . . 227 GLY H . 25078 1 142 . 1 1 47 47 GLY C C 13 173.999 0.300 . 1 . . . . 227 GLY C . 25078 1 143 . 1 1 47 47 GLY CA C 13 44.220 0.300 . 1 . . . . 227 GLY CA . 25078 1 144 . 1 1 47 47 GLY N N 15 115.585 0.300 . 1 . . . . 227 GLY N . 25078 1 145 . 1 1 48 48 ASP H H 1 7.842 0.020 . 1 . . . . 228 ASP H . 25078 1 146 . 1 1 48 48 ASP CA C 13 53.025 0.300 . 1 . . . . 228 ASP CA . 25078 1 147 . 1 1 48 48 ASP N N 15 122.050 0.300 . 1 . . . . 228 ASP N . 25078 1 148 . 1 1 50 50 VAL H H 1 8.721 0.020 . 1 . . . . 230 VAL H . 25078 1 149 . 1 1 50 50 VAL CA C 13 58.069 0.300 . 1 . . . . 230 VAL CA . 25078 1 150 . 1 1 50 50 VAL N N 15 114.676 0.300 . 1 . . . . 230 VAL N . 25078 1 151 . 1 1 51 51 GLU H H 1 8.976 0.020 . 1 . . . . 231 GLU H . 25078 1 152 . 1 1 51 51 GLU C C 13 174.435 0.300 . 1 . . . . 231 GLU C . 25078 1 153 . 1 1 51 51 GLU CA C 13 53.244 0.300 . 1 . . . . 231 GLU CA . 25078 1 154 . 1 1 51 51 GLU N N 15 120.320 0.300 . 1 . . . . 231 GLU N . 25078 1 155 . 1 1 52 52 PHE H H 1 8.103 0.020 . 1 . . . . 232 PHE H . 25078 1 156 . 1 1 52 52 PHE CA C 13 56.283 0.300 . 1 . . . . 232 PHE CA . 25078 1 157 . 1 1 52 52 PHE N N 15 117.569 0.300 . 1 . . . . 232 PHE N . 25078 1 158 . 1 1 53 53 GLU H H 1 8.641 0.020 . 1 . . . . 233 GLU H . 25078 1 159 . 1 1 53 53 GLU CA C 13 53.620 0.300 . 1 . . . . 233 GLU CA . 25078 1 160 . 1 1 53 53 GLU N N 15 117.236 0.300 . 1 . . . . 233 GLU N . 25078 1 161 . 1 1 54 54 MET H H 1 9.547 0.020 . 1 . . . . 234 MET H . 25078 1 162 . 1 1 54 54 MET C C 13 175.284 0.300 . 1 . . . . 234 MET C . 25078 1 163 . 1 1 54 54 MET CA C 13 55.625 0.300 . 1 . . . . 234 MET CA . 25078 1 164 . 1 1 54 54 MET N N 15 129.721 0.300 . 1 . . . . 234 MET N . 25078 1 165 . 1 1 55 55 THR H H 1 8.687 0.020 . 1 . . . . 235 THR H . 25078 1 166 . 1 1 55 55 THR CA C 13 59.228 0.300 . 1 . . . . 235 THR CA . 25078 1 167 . 1 1 55 55 THR N N 15 121.815 0.300 . 1 . . . . 235 THR N . 25078 1 168 . 1 1 56 56 TYR H H 1 8.369 0.020 . 1 . . . . 236 TYR H . 25078 1 169 . 1 1 56 56 TYR N N 15 117.693 0.300 . 1 . . . . 236 TYR N . 25078 1 170 . 1 1 57 57 ASP H H 1 8.734 0.020 . 1 . . . . 237 ASP H . 25078 1 171 . 1 1 57 57 ASP CA C 13 56.816 0.300 . 1 . . . . 237 ASP CA . 25078 1 172 . 1 1 57 57 ASP N N 15 126.379 0.300 . 1 . . . . 237 ASP N . 25078 1 173 . 1 1 58 58 ARG H H 1 8.856 0.020 . 1 . . . . 238 ARG H . 25078 1 174 . 1 1 58 58 ARG N N 15 128.014 0.300 . 1 . . . . 238 ARG N . 25078 1 175 . 1 1 59 59 ARG H H 1 8.414 0.020 . 1 . . . . 239 ARG H . 25078 1 176 . 1 1 59 59 ARG CA C 13 57.317 0.300 . 1 . . . . 239 ARG CA . 25078 1 177 . 1 1 59 59 ARG N N 15 115.709 0.300 . 1 . . . . 239 ARG N . 25078 1 178 . 1 1 61 61 GLY H H 1 8.426 0.020 . 1 . . . . 241 GLY H . 25078 1 179 . 1 1 61 61 GLY CA C 13 45.317 0.300 . 1 . . . . 241 GLY CA . 25078 1 180 . 1 1 61 61 GLY N N 15 111.824 0.300 . 1 . . . . 241 GLY N . 25078 1 181 . 1 1 62 62 LYS H H 1 7.562 0.020 . 1 . . . . 242 LYS H . 25078 1 182 . 1 1 62 62 LYS CA C 13 54.309 0.300 . 1 . . . . 242 LYS CA . 25078 1 183 . 1 1 62 62 LYS N N 15 119.843 0.300 . 1 . . . . 242 LYS N . 25078 1 184 . 1 1 64 64 ILE H H 1 8.969 0.020 . 1 . . . . 244 ILE H . 25078 1 185 . 1 1 64 64 ILE C C 13 173.958 0.300 . 1 . . . . 244 ILE C . 25078 1 186 . 1 1 64 64 ILE CA C 13 60.262 0.300 . 1 . . . . 244 ILE CA . 25078 1 187 . 1 1 64 64 ILE N N 15 118.148 0.300 . 1 . . . . 244 ILE N . 25078 1 188 . 1 1 65 65 ALA H H 1 8.558 0.020 . 1 . . . . 245 ALA H . 25078 1 189 . 1 1 65 65 ALA CA C 13 50.267 0.300 . 1 . . . . 245 ALA CA . 25078 1 190 . 1 1 65 65 ALA N N 15 121.372 0.300 . 1 . . . . 245 ALA N . 25078 1 191 . 1 1 66 66 SER H H 1 8.655 0.020 . 1 . . . . 246 SER H . 25078 1 192 . 1 1 66 66 SER C C 13 172.777 0.300 . 1 . . . . 246 SER C . 25078 1 193 . 1 1 66 66 SER CA C 13 55.751 0.300 . 1 . . . . 246 SER CA . 25078 1 194 . 1 1 66 66 SER N N 15 114.641 0.300 . 1 . . . . 246 SER N . 25078 1 195 . 1 1 67 67 GLN H H 1 9.278 0.020 . 1 . . . . 247 GLN H . 25078 1 196 . 1 1 67 67 GLN HE21 H 1 6.802 0.020 . 1 . . . . 247 GLN HE21 . 25078 1 197 . 1 1 67 67 GLN HE22 H 1 7.664 0.020 . 1 . . . . 247 GLN HE22 . 25078 1 198 . 1 1 67 67 GLN C C 13 174.973 0.300 . 1 . . . . 247 GLN C . 25078 1 199 . 1 1 67 67 GLN CA C 13 56.064 0.300 . 1 . . . . 247 GLN CA . 25078 1 200 . 1 1 67 67 GLN N N 15 120.173 0.300 . 1 . . . . 247 GLN N . 25078 1 201 . 1 1 67 67 GLN NE2 N 15 113.369 0.300 . 1 . . . . 247 GLN NE2 . 25078 1 202 . 1 1 68 68 VAL H H 1 8.301 0.020 . 1 . . . . 248 VAL H . 25078 1 203 . 1 1 68 68 VAL CA C 13 61.296 0.300 . 1 . . . . 248 VAL CA . 25078 1 204 . 1 1 68 68 VAL N N 15 121.083 0.300 . 1 . . . . 248 VAL N . 25078 1 205 . 1 1 69 69 SER H H 1 9.043 0.020 . 1 . . . . 249 SER H . 25078 1 206 . 1 1 69 69 SER N N 15 118.561 0.300 . 1 . . . . 249 SER N . 25078 1 207 . 1 1 70 70 LYS H H 1 8.748 0.020 . 1 . . . . 250 LYS H . 25078 1 208 . 1 1 70 70 LYS C C 13 176.839 0.300 . 1 . . . . 250 LYS C . 25078 1 209 . 1 1 70 70 LYS CA C 13 56.753 0.300 . 1 . . . . 250 LYS CA . 25078 1 210 . 1 1 70 70 LYS N N 15 122.736 0.300 . 1 . . . . 250 LYS N . 25078 1 211 . 1 1 71 71 ILE H H 1 7.791 0.020 . 1 . . . . 251 ILE H . 25078 1 212 . 1 1 71 71 ILE C C 13 174.372 0.300 . 1 . . . . 251 ILE C . 25078 1 213 . 1 1 71 71 ILE CA C 13 61.547 0.300 . 1 . . . . 251 ILE CA . 25078 1 214 . 1 1 71 71 ILE N N 15 124.803 0.300 . 1 . . . . 251 ILE N . 25078 1 215 . 1 1 72 72 ALA H H 1 7.740 0.020 . 1 . . . . 252 ALA H . 25078 1 216 . 1 1 72 72 ALA CA C 13 53.244 0.300 . 1 . . . . 252 ALA CA . 25078 1 217 . 1 1 72 72 ALA N N 15 133.276 0.300 . 1 . . . . 252 ALA N . 25078 1 stop_ save_