################################### # 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 25792 _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' . . . 25792 1 2 '3D HNCA' . . . 25792 1 3 '3D HNCO' . . . 25792 1 4 '3D HNCACB' . . . 25792 1 5 '3D HN(CO)CA' . . . 25792 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 1 $NMRView . . 25792 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 ASN CA C 13 50.141 . . . . . . . 190 ASN CA . 25792 1 2 . 1 1 2 2 THR H H 1 8.265 . . . . . . . 191 THR H . 25792 1 3 . 1 1 2 2 THR CA C 13 58.548 . . . . . . . 191 THR CA . 25792 1 4 . 1 1 2 2 THR CB C 13 66.384 . . . . . . . 191 THR CB . 25792 1 5 . 1 1 2 2 THR N N 15 115.079 . . . . . . . 191 THR N . 25792 1 6 . 1 1 3 3 ALA H H 1 8.295 . . . . . . . 192 ALA H . 25792 1 7 . 1 1 3 3 ALA CA C 13 49.012 . . . . . . . 192 ALA CA . 25792 1 8 . 1 1 3 3 ALA CB C 13 16.187 . . . . . . . 192 ALA CB . 25792 1 9 . 1 1 3 3 ALA N N 15 126.474 . . . . . . . 192 ALA N . 25792 1 10 . 1 1 4 4 GLU H H 1 8.447 . . . . . . . 193 GLU H . 25792 1 11 . 1 1 4 4 GLU CA C 13 53.726 . . . . . . . 193 GLU CA . 25792 1 12 . 1 1 4 4 GLU CB C 13 27.351 . . . . . . . 193 GLU CB . 25792 1 13 . 1 1 4 4 GLU N N 15 121.246 . . . . . . . 193 GLU N . 25792 1 14 . 1 1 5 5 LEU H H 1 8.411 . . . . . . . 194 LEU H . 25792 1 15 . 1 1 5 5 LEU CA C 13 50.218 . . . . . . . 194 LEU CA . 25792 1 16 . 1 1 5 5 LEU CB C 13 40.228 . . . . . . . 194 LEU CB . 25792 1 17 . 1 1 5 5 LEU N N 15 123.183 . . . . . . . 194 LEU N . 25792 1 18 . 1 1 6 6 LYS H H 1 8.882 . . . . . . . 195 LYS H . 25792 1 19 . 1 1 6 6 LYS CA C 13 53.279 . . . . . . . 195 LYS CA . 25792 1 20 . 1 1 6 6 LYS CB C 13 32.996 . . . . . . . 195 LYS CB . 25792 1 21 . 1 1 6 6 LYS N N 15 123.932 . . . . . . . 195 LYS N . 25792 1 22 . 1 1 7 7 ILE H H 1 9.117 . . . . . . . 196 ILE H . 25792 1 23 . 1 1 7 7 ILE CA C 13 59.247 . . . . . . . 196 ILE CA . 25792 1 24 . 1 1 7 7 ILE CB C 13 34.197 . . . . . . . 196 ILE CB . 25792 1 25 . 1 1 7 7 ILE N N 15 126.108 . . . . . . . 196 ILE N . 25792 1 26 . 1 1 8 8 CYS H H 1 9.266 . . . . . . . 197 CYS H . 25792 1 27 . 1 1 8 8 CYS CA C 13 58.137 . . . . . . . 197 CYS CA . 25792 1 28 . 1 1 8 8 CYS CB C 13 25.022 . . . . . . . 197 CYS CB . 25792 1 29 . 1 1 8 8 CYS N N 15 125.716 . . . . . . . 197 CYS N . 25792 1 30 . 1 1 9 9 ARG H H 1 7.703 . . . . . . . 198 ARG H . 25792 1 31 . 1 1 9 9 ARG CA C 13 52.926 . . . . . . . 198 ARG CA . 25792 1 32 . 1 1 9 9 ARG CB C 13 31.735 . . . . . . . 198 ARG CB . 25792 1 33 . 1 1 9 9 ARG N N 15 116.584 . . . . . . . 198 ARG N . 25792 1 34 . 1 1 10 10 VAL H H 1 8.534 . . . . . . . 199 VAL H . 25792 1 35 . 1 1 10 10 VAL CA C 13 56.552 . . . . . . . 199 VAL CA . 25792 1 36 . 1 1 10 10 VAL CB C 13 32.282 . . . . . . . 199 VAL CB . 25792 1 37 . 1 1 10 10 VAL N N 15 118.267 . . . . . . . 199 VAL N . 25792 1 38 . 1 1 11 11 ASN H H 1 8.295 . . . . . . . 200 ASN H . 25792 1 39 . 1 1 11 11 ASN CA C 13 51.364 . . . . . . . 200 ASN CA . 25792 1 40 . 1 1 11 11 ASN CB C 13 33.268 . . . . . . . 200 ASN CB . 25792 1 41 . 1 1 11 11 ASN N N 15 122.386 . . . . . . . 200 ASN N . 25792 1 42 . 1 1 12 12 ARG H H 1 7.228 . . . . . . . 201 ARG H . 25792 1 43 . 1 1 12 12 ARG CA C 13 52.358 . . . . . . . 201 ARG CA . 25792 1 44 . 1 1 12 12 ARG CB C 13 29.779 . . . . . . . 201 ARG CB . 25792 1 45 . 1 1 12 12 ARG N N 15 120.941 . . . . . . . 201 ARG N . 25792 1 46 . 1 1 13 13 ASN H H 1 8.051 . . . . . . . 202 ASN H . 25792 1 47 . 1 1 13 13 ASN CA C 13 48.348 . . . . . . . 202 ASN CA . 25792 1 48 . 1 1 13 13 ASN CB C 13 34.876 . . . . . . . 202 ASN CB . 25792 1 49 . 1 1 13 13 ASN N N 15 116.846 . . . . . . . 202 ASN N . 25792 1 50 . 1 1 14 14 SER H H 1 7.238 . . . . . . . 203 SER H . 25792 1 51 . 1 1 14 14 SER CA C 13 52.722 . . . . . . . 203 SER CA . 25792 1 52 . 1 1 14 14 SER CB C 13 63.42 . . . . . . . 203 SER CB . 25792 1 53 . 1 1 14 14 SER N N 15 112.307 . . . . . . . 203 SER N . 25792 1 54 . 1 1 15 15 GLY H H 1 7.798 . . . . . . . 204 GLY H . 25792 1 55 . 1 1 15 15 GLY CA C 13 41.757 . . . . . . . 204 GLY CA . 25792 1 56 . 1 1 15 15 GLY N N 15 104.334 . . . . . . . 204 GLY N . 25792 1 57 . 1 1 16 16 SER H H 1 8.383 . . . . . . . 205 SER H . 25792 1 58 . 1 1 16 16 SER CA C 13 55.936 . . . . . . . 205 SER CA . 25792 1 59 . 1 1 16 16 SER CB C 13 60.446 . . . . . . . 205 SER CB . 25792 1 60 . 1 1 16 16 SER N N 15 113.373 . . . . . . . 205 SER N . 25792 1 61 . 1 1 17 17 CYS H H 1 9.143 . . . . . . . 206 CYS H . 25792 1 62 . 1 1 17 17 CYS CA C 13 57.061 . . . . . . . 206 CYS CA . 25792 1 63 . 1 1 17 17 CYS CB C 13 24.852 . . . . . . . 206 CYS CB . 25792 1 64 . 1 1 17 17 CYS N N 15 126.701 . . . . . . . 206 CYS N . 25792 1 65 . 1 1 18 18 LEU H H 1 8.808 . . . . . . . 207 LEU H . 25792 1 66 . 1 1 18 18 LEU CA C 13 52.947 . . . . . . . 207 LEU CA . 25792 1 67 . 1 1 18 18 LEU CB C 13 37.255 . . . . . . . 207 LEU CB . 25792 1 68 . 1 1 18 18 LEU N N 15 123.773 . . . . . . . 207 LEU N . 25792 1 69 . 1 1 19 19 GLY H H 1 7.945 . . . . . . . 208 GLY H . 25792 1 70 . 1 1 19 19 GLY CA C 13 40.243 . . . . . . . 208 GLY CA . 25792 1 71 . 1 1 19 19 GLY N N 15 105.152 . . . . . . . 208 GLY N . 25792 1 72 . 1 1 20 20 GLY H H 1 8.743 . . . . . . . 209 GLY H . 25792 1 73 . 1 1 20 20 GLY CA C 13 42.246 . . . . . . . 209 GLY CA . 25792 1 74 . 1 1 20 20 GLY N N 15 105.884 . . . . . . . 209 GLY N . 25792 1 75 . 1 1 21 21 ASP H H 1 7.738 . . . . . . . 210 ASP H . 25792 1 76 . 1 1 21 21 ASP CA C 13 51.764 . . . . . . . 210 ASP CA . 25792 1 77 . 1 1 21 21 ASP CB C 13 38.927 . . . . . . . 210 ASP CB . 25792 1 78 . 1 1 21 21 ASP N N 15 120.637 . . . . . . . 210 ASP N . 25792 1 79 . 1 1 22 22 GLU H H 1 8.872 . . . . . . . 211 GLU H . 25792 1 80 . 1 1 22 22 GLU CA C 13 53.279 . . . . . . . 211 GLU CA . 25792 1 81 . 1 1 22 22 GLU CB C 13 27.992 . . . . . . . 211 GLU CB . 25792 1 82 . 1 1 22 22 GLU N N 15 123.759 . . . . . . . 211 GLU N . 25792 1 83 . 1 1 23 23 ILE H H 1 9.226 . . . . . . . 212 ILE H . 25792 1 84 . 1 1 23 23 ILE CA C 13 55.697 . . . . . . . 212 ILE CA . 25792 1 85 . 1 1 23 23 ILE CB C 13 34.961 . . . . . . . 212 ILE CB . 25792 1 86 . 1 1 23 23 ILE N N 15 131.614 . . . . . . . 212 ILE N . 25792 1 87 . 1 1 24 24 PHE H H 1 8.728 . . . . . . . 213 PHE H . 25792 1 88 . 1 1 24 24 PHE CA C 13 52.967 . . . . . . . 213 PHE CA . 25792 1 89 . 1 1 24 24 PHE CB C 13 36.579 . . . . . . . 213 PHE CB . 25792 1 90 . 1 1 24 24 PHE N N 15 125.177 . . . . . . . 213 PHE N . 25792 1 91 . 1 1 25 25 LEU H H 1 8.770 . . . . . . . 214 LEU H . 25792 1 92 . 1 1 25 25 LEU CA C 13 50.712 . . . . . . . 214 LEU CA . 25792 1 93 . 1 1 25 25 LEU CB C 13 42.336 . . . . . . . 214 LEU CB . 25792 1 94 . 1 1 25 25 LEU N N 15 124.922 . . . . . . . 214 LEU N . 25792 1 95 . 1 1 26 26 LEU H H 1 9.342 . . . . . . . 215 LEU H . 25792 1 96 . 1 1 26 26 LEU CA C 13 50.469 . . . . . . . 215 LEU CA . 25792 1 97 . 1 1 26 26 LEU CB C 13 35.471 . . . . . . . 215 LEU CB . 25792 1 98 . 1 1 26 26 LEU N N 15 125.006 . . . . . . . 215 LEU N . 25792 1 99 . 1 1 27 27 CYS H H 1 9.056 . . . . . . . 216 CYS H . 25792 1 100 . 1 1 27 27 CYS CA C 13 51.902 . . . . . . . 216 CYS CA . 25792 1 101 . 1 1 27 27 CYS CB C 13 31.797 . . . . . . . 216 CYS CB . 25792 1 102 . 1 1 27 27 CYS N N 15 123.268 . . . . . . . 216 CYS N . 25792 1 103 . 1 1 28 28 ASP H H 1 7.365 . . . . . . . 217 ASP H . 25792 1 104 . 1 1 28 28 ASP CA C 13 51.869 . . . . . . . 217 ASP CA . 25792 1 105 . 1 1 28 28 ASP CB C 13 38.274 . . . . . . . 217 ASP CB . 25792 1 106 . 1 1 28 28 ASP N N 15 118.590 . . . . . . . 217 ASP N . 25792 1 107 . 1 1 29 29 LYS H H 1 8.124 . . . . . . . 218 LYS H . 25792 1 108 . 1 1 29 29 LYS CA C 13 55.303 . . . . . . . 218 LYS CA . 25792 1 109 . 1 1 29 29 LYS CB C 13 29.694 . . . . . . . 218 LYS CB . 25792 1 110 . 1 1 29 29 LYS N N 15 116.692 . . . . . . . 218 LYS N . 25792 1 111 . 1 1 30 30 VAL H H 1 8.957 . . . . . . . 219 VAL H . 25792 1 112 . 1 1 30 30 VAL CA C 13 55.818 . . . . . . . 219 VAL CA . 25792 1 113 . 1 1 30 30 VAL CB C 13 32.073 . . . . . . . 219 VAL CB . 25792 1 114 . 1 1 30 30 VAL N N 15 119.511 . . . . . . . 219 VAL N . 25792 1 115 . 1 1 31 31 GLN H H 1 8.816 . . . . . . . 220 GLN H . 25792 1 116 . 1 1 31 31 GLN CA C 13 50.855 . . . . . . . 220 GLN CA . 25792 1 117 . 1 1 31 31 GLN CB C 13 25.590 . . . . . . . 220 GLN CB . 25792 1 118 . 1 1 31 31 GLN N N 15 118.978 . . . . . . . 220 GLN N . 25792 1 119 . 1 1 32 32 LYS H H 1 8.798 . . . . . . . 221 LYS H . 25792 1 120 . 1 1 32 32 LYS CA C 13 56.333 . . . . . . . 221 LYS CA . 25792 1 121 . 1 1 32 32 LYS CB C 13 28.505 . . . . . . . 221 LYS CB . 25792 1 122 . 1 1 32 32 LYS N N 15 124.026 . . . . . . . 221 LYS N . 25792 1 123 . 1 1 33 33 GLU H H 1 9.142 . . . . . . . 222 GLU H . 25792 1 124 . 1 1 33 33 GLU CA C 13 53.590 . . . . . . . 222 GLU CA . 25792 1 125 . 1 1 33 33 GLU CB C 13 25.107 . . . . . . . 222 GLU CB . 25792 1 126 . 1 1 33 33 GLU N N 15 118.041 . . . . . . . 222 GLU N . 25792 1 127 . 1 1 34 34 ASP H H 1 8.258 . . . . . . . 223 ASP H . 25792 1 128 . 1 1 34 34 ASP CA C 13 49.270 . . . . . . . 223 ASP CA . 25792 1 129 . 1 1 34 34 ASP CB C 13 38.359 . . . . . . . 223 ASP CB . 25792 1 130 . 1 1 34 34 ASP N N 15 123.230 . . . . . . . 223 ASP N . 25792 1 131 . 1 1 35 35 ILE H H 1 7.719 . . . . . . . 224 ILE H . 25792 1 132 . 1 1 35 35 ILE CA C 13 54.429 . . . . . . . 224 ILE CA . 25792 1 133 . 1 1 35 35 ILE CB C 13 37.743 . . . . . . . 224 ILE CB . 25792 1 134 . 1 1 35 35 ILE N N 15 116.606 . . . . . . . 224 ILE N . 25792 1 135 . 1 1 36 36 GLU H H 1 8.795 . . . . . . . 225 GLU H . 25792 1 136 . 1 1 36 36 GLU CA C 13 51.163 . . . . . . . 225 GLU CA . 25792 1 137 . 1 1 36 36 GLU CB C 13 31.154 . . . . . . . 225 GLU CB . 25792 1 138 . 1 1 36 36 GLU N N 15 124.960 . . . . . . . 225 GLU N . 25792 1 139 . 1 1 37 37 VAL H H 1 8.920 . . . . . . . 226 VAL H . 25792 1 140 . 1 1 37 37 VAL CA C 13 59.628 . . . . . . . 226 VAL CA . 25792 1 141 . 1 1 37 37 VAL CB C 13 28.760 . . . . . . . 226 VAL CB . 25792 1 142 . 1 1 37 37 VAL N N 15 120.588 . . . . . . . 226 VAL N . 25792 1 143 . 1 1 38 38 TYR H H 1 9.290 . . . . . . . 227 TYR H . 25792 1 144 . 1 1 38 38 TYR CA C 13 53.488 . . . . . . . 227 TYR CA . 25792 1 145 . 1 1 38 38 TYR CB C 13 39.464 . . . . . . . 227 TYR CB . 25792 1 146 . 1 1 38 38 TYR N N 15 130.838 . . . . . . . 227 TYR N . 25792 1 147 . 1 1 39 39 PHE H H 1 9.197 . . . . . . . 228 PHE H . 25792 1 148 . 1 1 39 39 PHE CA C 13 52.898 . . . . . . . 228 PHE CA . 25792 1 149 . 1 1 39 39 PHE CB C 13 39.209 . . . . . . . 228 PHE CB . 25792 1 150 . 1 1 39 39 PHE N N 15 130.795 . . . . . . . 228 PHE N . 25792 1 151 . 1 1 40 40 THR H H 1 8.670 . . . . . . . 229 THR H . 25792 1 152 . 1 1 40 40 THR CA C 13 56.604 . . . . . . . 229 THR CA . 25792 1 153 . 1 1 40 40 THR CB C 13 70.386 . . . . . . . 229 THR CB . 25792 1 154 . 1 1 40 40 THR N N 15 108.184 . . . . . . . 229 THR N . 25792 1 155 . 1 1 41 41 GLY H H 1 8.953 . . . . . . . 230 GLY H . 25792 1 156 . 1 1 41 41 GLY CA C 13 41.161 . . . . . . . 230 GLY CA . 25792 1 157 . 1 1 41 41 GLY N N 15 109.750 . . . . . . . 230 GLY N . 25792 1 158 . 1 1 42 42 PRO CA C 13 61.384 . . . . . . . 231 PRO CA . 25792 1 159 . 1 1 43 43 GLY H H 1 9.072 . . . . . . . 232 GLY H . 25792 1 160 . 1 1 43 43 GLY CA C 13 43.595 . . . . . . . 232 GLY CA . 25792 1 161 . 1 1 43 43 GLY N N 15 116.225 . . . . . . . 232 GLY N . 25792 1 162 . 1 1 44 44 TRP H H 1 8.257 . . . . . . . 233 TRP H . 25792 1 163 . 1 1 44 44 TRP CA C 13 55.126 . . . . . . . 233 TRP CA . 25792 1 164 . 1 1 44 44 TRP CB C 13 28.819 . . . . . . . 233 TRP CB . 25792 1 165 . 1 1 44 44 TRP N N 15 121.809 . . . . . . . 233 TRP N . 25792 1 166 . 1 1 45 45 GLU H H 1 7.197 . . . . . . . 234 GLU H . 25792 1 167 . 1 1 45 45 GLU CA C 13 51.094 . . . . . . . 234 GLU CA . 25792 1 168 . 1 1 45 45 GLU CB C 13 29.694 . . . . . . . 234 GLU CB . 25792 1 169 . 1 1 45 45 GLU N N 15 125.275 . . . . . . . 234 GLU N . 25792 1 170 . 1 1 46 46 ALA H H 1 8.332 . . . . . . . 235 ALA H . 25792 1 171 . 1 1 46 46 ALA CA C 13 48.444 . . . . . . . 235 ALA CA . 25792 1 172 . 1 1 46 46 ALA CB C 13 19.330 . . . . . . . 235 ALA CB . 25792 1 173 . 1 1 46 46 ALA N N 15 121.092 . . . . . . . 235 ALA N . 25792 1 174 . 1 1 47 47 ARG H H 1 8.513 . . . . . . . 236 ARG H . 25792 1 175 . 1 1 47 47 ARG CA C 13 51.284 . . . . . . . 236 ARG CA . 25792 1 176 . 1 1 47 47 ARG CB C 13 29.524 . . . . . . . 236 ARG CB . 25792 1 177 . 1 1 47 47 ARG N N 15 117.663 . . . . . . . 236 ARG N . 25792 1 178 . 1 1 48 48 GLY H H 1 9.194 . . . . . . . 237 GLY H . 25792 1 179 . 1 1 48 48 GLY CA C 13 41.821 . . . . . . . 237 GLY CA . 25792 1 180 . 1 1 48 48 GLY N N 15 105.113 . . . . . . . 237 GLY N . 25792 1 181 . 1 1 49 49 SER H H 1 9.280 . . . . . . . 238 SER H . 25792 1 182 . 1 1 49 49 SER CA C 13 54.604 . . . . . . . 238 SER CA . 25792 1 183 . 1 1 49 49 SER CB C 13 61.551 . . . . . . . 238 SER CB . 25792 1 184 . 1 1 49 49 SER N N 15 118.164 . . . . . . . 238 SER N . 25792 1 185 . 1 1 50 50 PHE H H 1 8.095 . . . . . . . 239 PHE H . 25792 1 186 . 1 1 50 50 PHE CA C 13 54.193 . . . . . . . 239 PHE CA . 25792 1 187 . 1 1 50 50 PHE CB C 13 36.267 . . . . . . . 239 PHE CB . 25792 1 188 . 1 1 50 50 PHE N N 15 122.064 . . . . . . . 239 PHE N . 25792 1 189 . 1 1 51 51 SER H H 1 9.847 . . . . . . . 240 SER H . 25792 1 190 . 1 1 51 51 SER CA C 13 53.337 . . . . . . . 240 SER CA . 25792 1 191 . 1 1 51 51 SER CB C 13 63.335 . . . . . . . 240 SER CB . 25792 1 192 . 1 1 51 51 SER N N 15 118.444 . . . . . . . 240 SER N . 25792 1 193 . 1 1 52 52 GLN H H 1 8.992 . . . . . . . 241 GLN H . 25792 1 194 . 1 1 52 52 GLN CA C 13 57.293 . . . . . . . 241 GLN CA . 25792 1 195 . 1 1 52 52 GLN CB C 13 25.267 . . . . . . . 241 GLN CB . 25792 1 196 . 1 1 52 52 GLN N N 15 121.939 . . . . . . . 241 GLN N . 25792 1 197 . 1 1 53 53 ALA H H 1 7.884 . . . . . . . 242 ALA H . 25792 1 198 . 1 1 53 53 ALA CA C 13 50.331 . . . . . . . 242 ALA CA . 25792 1 199 . 1 1 53 53 ALA CB C 13 15.168 . . . . . . . 242 ALA CB . 25792 1 200 . 1 1 53 53 ALA N N 15 118.516 . . . . . . . 242 ALA N . 25792 1 201 . 1 1 54 54 ASP H H 1 7.997 . . . . . . . 243 ASP H . 25792 1 202 . 1 1 54 54 ASP CA C 13 52.612 . . . . . . . 243 ASP CA . 25792 1 203 . 1 1 54 54 ASP CB C 13 39.294 . . . . . . . 243 ASP CB . 25792 1 204 . 1 1 54 54 ASP N N 15 117.434 . . . . . . . 243 ASP N . 25792 1 205 . 1 1 55 55 VAL H H 1 7.284 . . . . . . . 244 VAL H . 25792 1 206 . 1 1 55 55 VAL CA C 13 58.439 . . . . . . . 244 VAL CA . 25792 1 207 . 1 1 55 55 VAL CB C 13 26.976 . . . . . . . 244 VAL CB . 25792 1 208 . 1 1 55 55 VAL N N 15 121.261 . . . . . . . 244 VAL N . 25792 1 209 . 1 1 56 56 HIS H H 1 9.000 . . . . . . . 245 HIS H . 25792 1 210 . 1 1 56 56 HIS CA C 13 52.551 . . . . . . . 245 HIS CA . 25792 1 211 . 1 1 56 56 HIS CB C 13 29.694 . . . . . . . 245 HIS CB . 25792 1 212 . 1 1 56 56 HIS N N 15 131.346 . . . . . . . 245 HIS N . 25792 1 213 . 1 1 57 57 ARG H H 1 8.840 . . . . . . . 246 ARG H . 25792 1 214 . 1 1 57 57 ARG CA C 13 51.566 . . . . . . . 246 ARG CA . 25792 1 215 . 1 1 57 57 ARG CB C 13 23.663 . . . . . . . 246 ARG CB . 25792 1 216 . 1 1 57 57 ARG N N 15 123.609 . . . . . . . 246 ARG N . 25792 1 217 . 1 1 58 58 GLN H H 1 8.029 . . . . . . . 247 GLN H . 25792 1 218 . 1 1 58 58 GLN CA C 13 56.018 . . . . . . . 247 GLN CA . 25792 1 219 . 1 1 58 58 GLN CB C 13 26.636 . . . . . . . 247 GLN CB . 25792 1 220 . 1 1 58 58 GLN N N 15 104.946 . . . . . . . 247 GLN N . 25792 1 221 . 1 1 59 59 VAL H H 1 7.822 . . . . . . . 248 VAL H . 25792 1 222 . 1 1 59 59 VAL CA C 13 58.398 . . . . . . . 248 VAL CA . 25792 1 223 . 1 1 59 59 VAL CB C 13 26.709 . . . . . . . 248 VAL CB . 25792 1 224 . 1 1 59 59 VAL N N 15 108.426 . . . . . . . 248 VAL N . 25792 1 225 . 1 1 60 60 ALA H H 1 7.548 . . . . . . . 249 ALA H . 25792 1 226 . 1 1 60 60 ALA CA C 13 47.960 . . . . . . . 249 ALA CA . 25792 1 227 . 1 1 60 60 ALA CB C 13 19.840 . . . . . . . 249 ALA CB . 25792 1 228 . 1 1 60 60 ALA N N 15 122.758 . . . . . . . 249 ALA N . 25792 1 229 . 1 1 61 61 ILE H H 1 9.492 . . . . . . . 250 ILE H . 25792 1 230 . 1 1 61 61 ILE CA C 13 58.195 . . . . . . . 250 ILE CA . 25792 1 231 . 1 1 61 61 ILE CB C 13 38.954 . . . . . . . 250 ILE CB . 25792 1 232 . 1 1 61 61 ILE N N 15 120.851 . . . . . . . 250 ILE N . 25792 1 233 . 1 1 62 62 VAL H H 1 7.211 . . . . . . . 251 VAL H . 25792 1 234 . 1 1 62 62 VAL CA C 13 57.686 . . . . . . . 251 VAL CA . 25792 1 235 . 1 1 62 62 VAL CB C 13 28.42 . . . . . . . 251 VAL CB . 25792 1 236 . 1 1 62 62 VAL N N 15 128.106 . . . . . . . 251 VAL N . 25792 1 237 . 1 1 63 63 PHE H H 1 8.633 . . . . . . . 252 PHE H . 25792 1 238 . 1 1 63 63 PHE CA C 13 51.519 . . . . . . . 252 PHE CA . 25792 1 239 . 1 1 63 63 PHE CB C 13 40.313 . . . . . . . 252 PHE CB . 25792 1 240 . 1 1 63 63 PHE N N 15 121.113 . . . . . . . 252 PHE N . 25792 1 241 . 1 1 64 64 ARG H H 1 9.094 . . . . . . . 253 ARG H . 25792 1 242 . 1 1 64 64 ARG CA C 13 49.781 . . . . . . . 253 ARG CA . 25792 1 243 . 1 1 64 64 ARG CB C 13 29.100 . . . . . . . 253 ARG CB . 25792 1 244 . 1 1 64 64 ARG N N 15 117.020 . . . . . . . 253 ARG N . 25792 1 245 . 1 1 65 65 THR H H 1 8.873 . . . . . . . 254 THR H . 25792 1 246 . 1 1 65 65 THR CA C 13 56.645 . . . . . . . 254 THR CA . 25792 1 247 . 1 1 65 65 THR CB C 13 64.269 . . . . . . . 254 THR CB . 25792 1 248 . 1 1 65 65 THR N N 15 114.215 . . . . . . . 254 THR N . 25792 1 249 . 1 1 67 67 PRO CA C 13 59.583 . . . . . . . 256 PRO CA . 25792 1 250 . 1 1 67 67 PRO CB C 13 28.101 . . . . . . . 256 PRO CB . 25792 1 251 . 1 1 68 68 TYR H H 1 7.687 . . . . . . . 257 TYR H . 25792 1 252 . 1 1 68 68 TYR CA C 13 53.101 . . . . . . . 257 TYR CA . 25792 1 253 . 1 1 68 68 TYR CB C 13 33.678 . . . . . . . 257 TYR CB . 25792 1 254 . 1 1 68 68 TYR N N 15 120.434 . . . . . . . 257 TYR N . 25792 1 255 . 1 1 71 71 PRO CA C 13 60.301 . . . . . . . 260 PRO CA . 25792 1 256 . 1 1 71 71 PRO CB C 13 28.420 . . . . . . . 260 PRO CB . 25792 1 257 . 1 1 72 72 SER H H 1 8.368 . . . . . . . 261 SER H . 25792 1 258 . 1 1 72 72 SER CA C 13 53.206 . . . . . . . 261 SER CA . 25792 1 259 . 1 1 72 72 SER CB C 13 60.531 . . . . . . . 261 SER CB . 25792 1 260 . 1 1 72 72 SER N N 15 117.822 . . . . . . . 261 SER N . 25792 1 261 . 1 1 73 73 LEU H H 1 6.588 . . . . . . . 262 LEU H . 25792 1 262 . 1 1 73 73 LEU CA C 13 53.022 . . . . . . . 262 LEU CA . 25792 1 263 . 1 1 73 73 LEU CB C 13 40.058 . . . . . . . 262 LEU CB . 25792 1 264 . 1 1 73 73 LEU N N 15 120.259 . . . . . . . 262 LEU N . 25792 1 265 . 1 1 74 74 GLN H H 1 8.806 . . . . . . . 263 GLN H . 25792 1 266 . 1 1 74 74 GLN CA C 13 52.218 . . . . . . . 263 GLN CA . 25792 1 267 . 1 1 74 74 GLN CB C 13 26.877 . . . . . . . 263 GLN CB . 25792 1 268 . 1 1 74 74 GLN N N 15 119.430 . . . . . . . 263 GLN N . 25792 1 269 . 1 1 75 75 ALA H H 1 7.645 . . . . . . . 264 ALA H . 25792 1 270 . 1 1 75 75 ALA CA C 13 46.680 . . . . . . . 264 ALA CA . 25792 1 271 . 1 1 75 75 ALA CB C 13 16.527 . . . . . . . 264 ALA CB . 25792 1 272 . 1 1 75 75 ALA N N 15 123.230 . . . . . . . 264 ALA N . 25792 1 273 . 1 1 76 76 PRO CA C 13 60.082 . . . . . . . 265 PRO CA . 25792 1 274 . 1 1 76 76 PRO CB C 13 29.524 . . . . . . . 265 PRO CB . 25792 1 275 . 1 1 77 77 VAL H H 1 8.466 . . . . . . . 266 VAL H . 25792 1 276 . 1 1 77 77 VAL CA C 13 57.321 . . . . . . . 266 VAL CA . 25792 1 277 . 1 1 77 77 VAL CB C 13 32.328 . . . . . . . 266 VAL CB . 25792 1 278 . 1 1 77 77 VAL N N 15 119.730 . . . . . . . 266 VAL N . 25792 1 279 . 1 1 78 78 ARG H H 1 8.431 . . . . . . . 267 ARG H . 25792 1 280 . 1 1 78 78 ARG CA C 13 52.516 . . . . . . . 267 ARG CA . 25792 1 281 . 1 1 78 78 ARG CB C 13 27.550 . . . . . . . 267 ARG CB . 25792 1 282 . 1 1 78 78 ARG N N 15 125.573 . . . . . . . 267 ARG N . 25792 1 283 . 1 1 79 79 VAL H H 1 9.472 . . . . . . . 268 VAL H . 25792 1 284 . 1 1 79 79 VAL CA C 13 56.307 . . . . . . . 268 VAL CA . 25792 1 285 . 1 1 79 79 VAL CB C 13 30.629 . . . . . . . 268 VAL CB . 25792 1 286 . 1 1 79 79 VAL N N 15 118.853 . . . . . . . 268 VAL N . 25792 1 287 . 1 1 80 80 SER H H 1 9.062 . . . . . . . 269 SER H . 25792 1 288 . 1 1 80 80 SER CA C 13 54.919 . . . . . . . 269 SER CA . 25792 1 289 . 1 1 80 80 SER CB C 13 62.655 . . . . . . . 269 SER CB . 25792 1 290 . 1 1 80 80 SER N N 15 115.530 . . . . . . . 269 SER N . 25792 1 291 . 1 1 81 81 MET H H 1 8.908 . . . . . . . 270 MET H . 25792 1 292 . 1 1 81 81 MET CA C 13 50.925 . . . . . . . 270 MET CA . 25792 1 293 . 1 1 81 81 MET CB C 13 32.328 . . . . . . . 270 MET CB . 25792 1 294 . 1 1 81 81 MET N N 15 122.817 . . . . . . . 270 MET N . 25792 1 295 . 1 1 82 82 GLN H H 1 8.684 . . . . . . . 271 GLN H . 25792 1 296 . 1 1 82 82 GLN CA C 13 50.890 . . . . . . . 271 GLN CA . 25792 1 297 . 1 1 82 82 GLN CB C 13 30.629 . . . . . . . 271 GLN CB . 25792 1 298 . 1 1 82 82 GLN N N 15 120.586 . . . . . . . 271 GLN N . 25792 1 299 . 1 1 83 83 LEU H H 1 8.202 . . . . . . . 272 LEU H . 25792 1 300 . 1 1 83 83 LEU CA C 13 50.817 . . . . . . . 272 LEU CA . 25792 1 301 . 1 1 83 83 LEU CB C 13 40.191 . . . . . . . 272 LEU CB . 25792 1 302 . 1 1 83 83 LEU N N 15 119.858 . . . . . . . 272 LEU N . 25792 1 303 . 1 1 84 84 ARG H H 1 8.438 . . . . . . . 273 ARG H . 25792 1 304 . 1 1 84 84 ARG CA C 13 50.582 . . . . . . . 273 ARG CA . 25792 1 305 . 1 1 84 84 ARG CB C 13 31.755 . . . . . . . 273 ARG CB . 25792 1 306 . 1 1 84 84 ARG N N 15 121.514 . . . . . . . 273 ARG N . 25792 1 307 . 1 1 85 85 ARG H H 1 8.751 . . . . . . . 274 ARG H . 25792 1 308 . 1 1 85 85 ARG CA C 13 49.359 . . . . . . . 274 ARG CA . 25792 1 309 . 1 1 85 85 ARG CB C 13 30.119 . . . . . . . 274 ARG CB . 25792 1 310 . 1 1 85 85 ARG N N 15 130.054 . . . . . . . 274 ARG N . 25792 1 311 . 1 1 86 86 PRO CA C 13 61.863 . . . . . . . 275 PRO CA . 25792 1 312 . 1 1 86 86 PRO CB C 13 28.675 . . . . . . . 275 PRO CB . 25792 1 313 . 1 1 87 87 SER H H 1 9.173 . . . . . . . 276 SER H . 25792 1 314 . 1 1 87 87 SER CA C 13 58.357 . . . . . . . 276 SER CA . 25792 1 315 . 1 1 87 87 SER N N 15 113.039 . . . . . . . 276 SER N . 25792 1 316 . 1 1 88 88 ASP H H 1 7.498 . . . . . . . 277 ASP H . 25792 1 317 . 1 1 88 88 ASP CA C 13 49.038 . . . . . . . 277 ASP CA . 25792 1 318 . 1 1 88 88 ASP CB C 13 37.510 . . . . . . . 277 ASP CB . 25792 1 319 . 1 1 88 88 ASP N N 15 118.327 . . . . . . . 277 ASP N . 25792 1 320 . 1 1 89 89 ARG H H 1 8.452 . . . . . . . 278 ARG H . 25792 1 321 . 1 1 89 89 ARG CA C 13 54.709 . . . . . . . 278 ARG CA . 25792 1 322 . 1 1 89 89 ARG N N 15 115.926 . . . . . . . 278 ARG N . 25792 1 323 . 1 1 90 90 GLU H H 1 7.538 . . . . . . . 279 GLU H . 25792 1 324 . 1 1 90 90 GLU CA C 13 54.176 . . . . . . . 279 GLU CA . 25792 1 325 . 1 1 90 90 GLU CB C 13 26.891 . . . . . . . 279 GLU CB . 25792 1 326 . 1 1 90 90 GLU N N 15 120.833 . . . . . . . 279 GLU N . 25792 1 327 . 1 1 91 91 LEU H H 1 7.961 . . . . . . . 280 LEU H . 25792 1 328 . 1 1 91 91 LEU CA C 13 50.155 . . . . . . . 280 LEU CA . 25792 1 329 . 1 1 91 91 LEU CB C 13 43.134 . . . . . . . 280 LEU CB . 25792 1 330 . 1 1 91 91 LEU N N 15 119.845 . . . . . . . 280 LEU N . 25792 1 331 . 1 1 92 92 SER H H 1 8.554 . . . . . . . 281 SER H . 25792 1 332 . 1 1 92 92 SER CA C 13 54.639 . . . . . . . 281 SER CA . 25792 1 333 . 1 1 92 92 SER CB C 13 64.014 . . . . . . . 281 SER CB . 25792 1 334 . 1 1 92 92 SER N N 15 115.380 . . . . . . . 281 SER N . 25792 1 335 . 1 1 93 93 GLU H H 1 8.976 . . . . . . . 282 GLU H . 25792 1 336 . 1 1 93 93 GLU CA C 13 52.813 . . . . . . . 282 GLU CA . 25792 1 337 . 1 1 93 93 GLU CB C 13 25.362 . . . . . . . 282 GLU CB . 25792 1 338 . 1 1 93 93 GLU N N 15 121.113 . . . . . . . 282 GLU N . 25792 1 339 . 1 1 94 94 PRO CA C 13 59.697 . . . . . . . 283 PRO CA . 25792 1 340 . 1 1 94 94 PRO CB C 13 29.439 . . . . . . . 283 PRO CB . 25792 1 341 . 1 1 95 95 MET H H 1 8.987 . . . . . . . 284 MET H . 25792 1 342 . 1 1 95 95 MET CA C 13 50.716 . . . . . . . 284 MET CA . 25792 1 343 . 1 1 95 95 MET CB C 13 32.328 . . . . . . . 284 MET CB . 25792 1 344 . 1 1 95 95 MET N N 15 119.911 . . . . . . . 284 MET N . 25792 1 345 . 1 1 96 96 GLU H H 1 8.576 . . . . . . . 285 GLU H . 25792 1 346 . 1 1 96 96 GLU CA C 13 54.017 . . . . . . . 285 GLU CA . 25792 1 347 . 1 1 96 96 GLU CB C 13 27.802 . . . . . . . 285 GLU CB . 25792 1 348 . 1 1 96 96 GLU N N 15 123.721 . . . . . . . 285 GLU N . 25792 1 349 . 1 1 97 97 PHE H H 1 8.603 . . . . . . . 286 PHE H . 25792 1 350 . 1 1 97 97 PHE CA C 13 53.626 . . . . . . . 286 PHE CA . 25792 1 351 . 1 1 97 97 PHE CB C 13 39.821 . . . . . . . 286 PHE CB . 25792 1 352 . 1 1 97 97 PHE N N 15 125.266 . . . . . . . 286 PHE N . 25792 1 353 . 1 1 98 98 GLN H H 1 7.593 . . . . . . . 287 GLN H . 25792 1 354 . 1 1 98 98 GLN CA C 13 50.781 . . . . . . . 287 GLN CA . 25792 1 355 . 1 1 98 98 GLN CB C 13 27.655 . . . . . . . 287 GLN CB . 25792 1 356 . 1 1 98 98 GLN N N 15 126.058 . . . . . . . 287 GLN N . 25792 1 357 . 1 1 99 99 TYR H H 1 8.608 . . . . . . . 288 TYR H . 25792 1 358 . 1 1 99 99 TYR CA C 13 55.339 . . . . . . . 288 TYR CA . 25792 1 359 . 1 1 99 99 TYR CB C 13 37.255 . . . . . . . 288 TYR CB . 25792 1 360 . 1 1 99 99 TYR N N 15 122.861 . . . . . . . 288 TYR N . 25792 1 361 . 1 1 100 100 LEU H H 1 8.624 . . . . . . . 289 LEU H . 25792 1 362 . 1 1 100 100 LEU CA C 13 48.094 . . . . . . . 289 LEU CA . 25792 1 363 . 1 1 100 100 LEU CB C 13 39.294 . . . . . . . 289 LEU CB . 25792 1 364 . 1 1 100 100 LEU N N 15 118.559 . . . . . . . 289 LEU N . 25792 1 365 . 1 1 101 101 PRO CA C 13 59.872 . . . . . . . 290 PRO CA . 25792 1 366 . 1 1 101 101 PRO CB C 13 28.845 . . . . . . . 290 PRO CB . 25792 1 367 . 1 1 102 102 ASP H H 1 8.867 . . . . . . . 291 ASP H . 25792 1 368 . 1 1 102 102 ASP CA C 13 52.030 . . . . . . . 291 ASP CA . 25792 1 369 . 1 1 102 102 ASP CB C 13 38.954 . . . . . . . 291 ASP CB . 25792 1 370 . 1 1 102 102 ASP N N 15 124.470 . . . . . . . 291 ASP N . 25792 1 371 . 1 1 103 103 THR H H 1 7.781 . . . . . . . 292 THR H . 25792 1 372 . 1 1 103 103 THR CA C 13 57.939 . . . . . . . 292 THR CA . 25792 1 373 . 1 1 103 103 THR CB C 13 66.733 . . . . . . . 292 THR CB . 25792 1 374 . 1 1 103 103 THR N N 15 111.609 . . . . . . . 292 THR N . 25792 1 375 . 1 1 104 104 ASP H H 1 8.166 . . . . . . . 293 ASP H . 25792 1 376 . 1 1 104 104 ASP CA C 13 51.844 . . . . . . . 293 ASP CA . 25792 1 377 . 1 1 104 104 ASP CB C 13 38.402 . . . . . . . 293 ASP CB . 25792 1 378 . 1 1 104 104 ASP N N 15 122.587 . . . . . . . 293 ASP N . 25792 1 379 . 1 1 105 105 ASP H H 1 8.395 . . . . . . . 294 ASP H . 25792 1 380 . 1 1 105 105 ASP CA C 13 52.408 . . . . . . . 294 ASP CA . 25792 1 381 . 1 1 105 105 ASP CB C 13 37.681 . . . . . . . 294 ASP CB . 25792 1 382 . 1 1 105 105 ASP N N 15 122.226 . . . . . . . 294 ASP N . 25792 1 383 . 1 1 106 106 ARG H H 1 8.299 . . . . . . . 295 ARG H . 25792 1 384 . 1 1 106 106 ARG CA C 13 55.049 . . . . . . . 295 ARG CA . 25792 1 385 . 1 1 106 106 ARG CB C 13 26.041 . . . . . . . 295 ARG CB . 25792 1 386 . 1 1 106 106 ARG N N 15 119.771 . . . . . . . 295 ARG N . 25792 1 387 . 1 1 107 107 HIS H H 1 8.146 . . . . . . . 296 HIS H . 25792 1 388 . 1 1 107 107 HIS CA C 13 54.287 . . . . . . . 296 HIS CA . 25792 1 389 . 1 1 107 107 HIS CB C 13 26.234 . . . . . . . 296 HIS CB . 25792 1 390 . 1 1 107 107 HIS N N 15 118.172 . . . . . . . 296 HIS N . 25792 1 391 . 1 1 108 108 ARG H H 1 7.881 . . . . . . . 297 ARG H . 25792 1 392 . 1 1 108 108 ARG CA C 13 54.467 . . . . . . . 297 ARG CA . 25792 1 393 . 1 1 108 108 ARG CB C 13 26.746 . . . . . . . 297 ARG CB . 25792 1 394 . 1 1 108 108 ARG N N 15 119.818 . . . . . . . 297 ARG N . 25792 1 395 . 1 1 109 109 ILE H H 1 8.021 . . . . . . . 298 ILE H . 25792 1 396 . 1 1 109 109 ILE CA C 13 60.102 . . . . . . . 298 ILE CA . 25792 1 397 . 1 1 109 109 ILE CB C 13 34.652 . . . . . . . 298 ILE CB . 25792 1 398 . 1 1 109 109 ILE N N 15 120.844 . . . . . . . 298 ILE N . 25792 1 399 . 1 1 110 110 GLU H H 1 8.150 . . . . . . . 299 GLU H . 25792 1 400 . 1 1 110 110 GLU CA C 13 54.946 . . . . . . . 299 GLU CA . 25792 1 401 . 1 1 110 110 GLU CB C 13 25.881 . . . . . . . 299 GLU CB . 25792 1 402 . 1 1 110 110 GLU N N 15 121.809 . . . . . . . 299 GLU N . 25792 1 403 . 1 1 111 111 GLU H H 1 7.952 . . . . . . . 300 GLU H . 25792 1 404 . 1 1 111 111 GLU CA C 13 54.877 . . . . . . . 300 GLU CA . 25792 1 405 . 1 1 111 111 GLU CB C 13 26.573 . . . . . . . 300 GLU CB . 25792 1 406 . 1 1 111 111 GLU N N 15 120.361 . . . . . . . 300 GLU N . 25792 1 407 . 1 1 115 115 ARG CA C 13 54.260 . . . . . . . 304 ARG CA . 25792 1 408 . 1 1 116 116 THR H H 1 7.941 . . . . . . . 305 THR H . 25792 1 409 . 1 1 116 116 THR CA C 13 59.906 . . . . . . . 305 THR CA . 25792 1 410 . 1 1 116 116 THR CB C 13 66.510 . . . . . . . 305 THR CB . 25792 1 411 . 1 1 116 116 THR N N 15 114.843 . . . . . . . 305 THR N . 25792 1 412 . 1 1 117 117 TYR H H 1 8.014 . . . . . . . 306 TYR H . 25792 1 413 . 1 1 117 117 TYR CA C 13 55.448 . . . . . . . 306 TYR CA . 25792 1 414 . 1 1 117 117 TYR CB C 13 36.017 . . . . . . . 306 TYR CB . 25792 1 415 . 1 1 117 117 TYR N N 15 122.145 . . . . . . . 306 TYR N . 25792 1 416 . 1 1 119 119 THR H H 1 7.954 . . . . . . . 308 THR H . 25792 1 417 . 1 1 119 119 THR CA C 13 59.788 . . . . . . . 308 THR CA . 25792 1 418 . 1 1 119 119 THR CB C 13 66.272 . . . . . . . 308 THR CB . 25792 1 419 . 1 1 119 119 THR N N 15 114.091 . . . . . . . 308 THR N . 25792 1 420 . 1 1 123 123 ILE CA C 13 57.961 . . . . . . . 312 ILE CA . 25792 1 421 . 1 1 123 123 ILE CB C 13 38.437 . . . . . . . 312 ILE CB . 25792 1 422 . 1 1 124 124 MET H H 1 8.158 . . . . . . . 313 MET H . 25792 1 423 . 1 1 124 124 MET CA C 13 51.848 . . . . . . . 313 MET CA . 25792 1 424 . 1 1 124 124 MET CB C 13 29.361 . . . . . . . 313 MET CB . 25792 1 425 . 1 1 124 124 MET N N 15 122.778 . . . . . . . 313 MET N . 25792 1 426 . 1 1 128 128 PRO CA C 13 59.558 . . . . . . . 317 PRO CA . 25792 1 427 . 1 1 128 128 PRO CB C 13 27.995 . . . . . . . 317 PRO CB . 25792 1 428 . 1 1 129 129 PHE H H 1 7.685 . . . . . . . 318 PHE H . 25792 1 429 . 1 1 129 129 PHE CA C 13 53.092 . . . . . . . 318 PHE CA . 25792 1 430 . 1 1 129 129 PHE CB C 13 33.687 . . . . . . . 318 PHE CB . 25792 1 431 . 1 1 129 129 PHE N N 15 120.435 . . . . . . . 318 PHE N . 25792 1 432 . 1 1 131 131 GLY H H 1 7.694 . . . . . . . 320 GLY H . 25792 1 433 . 1 1 131 131 GLY CA C 13 41.286 . . . . . . . 320 GLY CA . 25792 1 434 . 1 1 131 131 GLY N N 15 109.510 . . . . . . . 320 GLY N . 25792 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25792 _Assigned_chem_shift_list.ID 2 _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' . . . 25792 2 2 '3D HNCA' . . . 25792 2 3 '3D HNCO' . . . 25792 2 4 '3D HNCACB' . . . 25792 2 5 '3D HN(CO)CA' . . . 25792 2 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 1 $NMRView . . 25792 2 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 1 112 112 LYS H H 1 7.892 . . . . . . . 301 LYS H . 25792 2 2 . 1 1 112 112 LYS CA C 13 54.856 . . . . . . . 301 LYS CA . 25792 2 3 . 1 1 112 112 LYS CB C 13 28.709 . . . . . . . 301 LYS CB . 25792 2 4 . 1 1 112 112 LYS N N 15 119.909 . . . . . . . 301 LYS N . 25792 2 5 . 1 1 113 113 ARG H H 1 8.078 . . . . . . . 302 ARG H . 25792 2 6 . 1 1 113 113 ARG CA C 13 54.600 . . . . . . . 302 ARG CA . 25792 2 7 . 1 1 113 113 ARG N N 15 120.230 . . . . . . . 302 ARG N . 25792 2 8 . 1 1 114 114 LYS H H 1 8.104 . . . . . . . 303 LYS H . 25792 2 9 . 1 1 114 114 LYS CA C 13 54.600 . . . . . . . 303 LYS CA . 25792 2 10 . 1 1 114 114 LYS N N 15 119.710 . . . . . . . 303 LYS N . 25792 2 11 . 1 1 115 115 ARG H H 1 7.951 . . . . . . . 304 ARG H . 25792 2 12 . 1 1 115 115 ARG CA C 13 54.600 . . . . . . . 304 ARG CA . 25792 2 13 . 1 1 115 115 ARG N N 15 119.792 . . . . . . . 304 ARG N . 25792 2 14 . 1 1 116 116 THR H H 1 7.934 . . . . . . . 305 THR H . 25792 2 15 . 1 1 116 116 THR CA C 13 59.372 . . . . . . . 305 THR CA . 25792 2 16 . 1 1 116 116 THR CB C 13 66.575 . . . . . . . 305 THR CB . 25792 2 17 . 1 1 116 116 THR N N 15 114.813 . . . . . . . 305 THR N . 25792 2 18 . 1 1 117 117 TYR H H 1 8.050 . . . . . . . 306 TYR H . 25792 2 19 . 1 1 117 117 TYR CA C 13 55.927 . . . . . . . 306 TYR CA . 25792 2 20 . 1 1 117 117 TYR CB C 13 35.884 . . . . . . . 306 TYR CB . 25792 2 21 . 1 1 117 117 TYR N N 15 121.322 . . . . . . . 306 TYR N . 25792 2 22 . 1 1 118 118 GLU H H 1 8.198 . . . . . . . 307 GLU H . 25792 2 23 . 1 1 118 118 GLU CA C 13 54.432 . . . . . . . 307 GLU CA . 25792 2 24 . 1 1 118 118 GLU CB C 13 26.486 . . . . . . . 307 GLU CB . 25792 2 25 . 1 1 118 118 GLU N N 15 120.246 . . . . . . . 307 GLU N . 25792 2 26 . 1 1 119 119 THR H H 1 7.942 . . . . . . . 308 THR H . 25792 2 27 . 1 1 119 119 THR CA C 13 59.904 . . . . . . . 308 THR CA . 25792 2 28 . 1 1 119 119 THR CB C 13 66.547 . . . . . . . 308 THR CB . 25792 2 29 . 1 1 119 119 THR N N 15 113.983 . . . . . . . 308 THR N . 25792 2 30 . 1 1 120 120 PHE H H 1 7.976 . . . . . . . 309 PHE H . 25792 2 31 . 1 1 120 120 PHE CA C 13 36.030 . . . . . . . 309 PHE CA . 25792 2 32 . 1 1 120 120 PHE CB C 13 55.621 . . . . . . . 309 PHE CB . 25792 2 33 . 1 1 120 120 PHE N N 15 121.729 . . . . . . . 309 PHE N . 25792 2 34 . 1 1 121 121 LYS H H 1 7.981 . . . . . . . 310 LYS H . 25792 2 35 . 1 1 121 121 LYS CA C 13 53.400 . . . . . . . 310 LYS CA . 25792 2 36 . 1 1 121 121 LYS N N 15 122.060 . . . . . . . 310 LYS N . 25792 2 37 . 1 1 122 122 SER H H 1 8.000 . . . . . . . 311 SER H . 25792 2 38 . 1 1 122 122 SER CA C 13 55.655 . . . . . . . 311 SER CA . 25792 2 39 . 1 1 122 122 SER CB C 13 60.892 . . . . . . . 311 SER CB . 25792 2 40 . 1 1 122 122 SER N N 15 122.000 . . . . . . . 311 SER N . 25792 2 41 . 1 1 123 123 ILE H H 1 7.980 . . . . . . . 312 ILE H . 25792 2 42 . 1 1 123 123 ILE CA C 13 58.378 . . . . . . . 312 ILE CA . 25792 2 43 . 1 1 123 123 ILE CB C 13 35.560 . . . . . . . 312 ILE CB . 25792 2 44 . 1 1 123 123 ILE N N 15 122.000 . . . . . . . 312 ILE N . 25792 2 45 . 1 1 124 124 MET H H 1 8.163 . . . . . . . 313 MET H . 25792 2 46 . 1 1 124 124 MET CA C 13 58.378 . . . . . . . 313 MET CA . 25792 2 47 . 1 1 124 124 MET CB C 13 29.281 . . . . . . . 313 MET CB . 25792 2 48 . 1 1 124 124 MET N N 15 123.489 . . . . . . . 313 MET N . 25792 2 49 . 1 1 125 125 LYS H H 1 8.184 . . . . . . . 314 LYS H . 25792 2 50 . 1 1 125 125 LYS CA C 13 53.514 . . . . . . . 314 LYS CA . 25792 2 51 . 1 1 125 125 LYS N N 15 123.027 . . . . . . . 314 LYS N . 25792 2 52 . 1 1 126 126 LYS H H 1 8.136 . . . . . . . 315 LYS H . 25792 2 53 . 1 1 126 126 LYS CA C 13 53.514 . . . . . . . 315 LYS CA . 25792 2 54 . 1 1 126 126 LYS N N 15 117.329 . . . . . . . 315 LYS N . 25792 2 55 . 1 1 127 127 SER H H 1 8.370 . . . . . . . 316 SER H . 25792 2 56 . 1 1 127 127 SER CA C 13 58.278 . . . . . . . 316 SER CA . 25792 2 57 . 1 1 127 127 SER CB C 13 60.985 . . . . . . . 316 SER CB . 25792 2 58 . 1 1 127 127 SER N N 15 118.900 . . . . . . . 316 SER N . 25792 2 59 . 1 1 128 128 PRO CA C 13 60.244 . . . . . . . 317 PRO CA . 25792 2 60 . 1 1 128 128 PRO CB C 13 29.336 . . . . . . . 317 PRO CB . 25792 2 61 . 1 1 129 129 PHE H H 1 8.101 . . . . . . . 318 PHE H . 25792 2 62 . 1 1 129 129 PHE CA C 13 54.568 . . . . . . . 318 PHE CA . 25792 2 63 . 1 1 129 129 PHE CB C 13 35.059 . . . . . . . 318 PHE CB . 25792 2 64 . 1 1 129 129 PHE N N 15 120.271 . . . . . . . 318 PHE N . 25792 2 65 . 1 1 130 130 ASN H H 1 8.281 . . . . . . . 319 ASN H . 25792 2 66 . 1 1 130 130 ASN CA C 13 50.184 . . . . . . . 319 ASN CA . 25792 2 67 . 1 1 130 130 ASN CB C 13 35.909 . . . . . . . 319 ASN CB . 25792 2 68 . 1 1 130 130 ASN N N 15 122.967 . . . . . . . 319 ASN N . 25792 2 69 . 1 1 131 131 GLY H H 1 7.696 . . . . . . . 320 GLY H . 25792 2 70 . 1 1 131 131 GLY CA C 13 41.509 . . . . . . . 320 GLY CA . 25792 2 71 . 1 1 131 131 GLY N N 15 109.556 . . . . . . . 320 GLY N . 25792 2 stop_ save_