################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50149 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BRD2-BD2_BMRB_assignments _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 $chem_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' . . . 50149 1 2 '3D HNCACB' . . . 50149 1 3 '3D CBCA(CO)NH' . . . 50149 1 4 '3D HNCO' . . . 50149 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 LEU H H 1 8.723 0.001 . 1 . . 168 . . 3 LEU H . 50149 1 2 . 1 . 1 3 3 LEU CA C 13 55.478 0.047 . 1 . . 171 . . 3 LEU CA . 50149 1 3 . 1 . 1 3 3 LEU CB C 13 42.502 0.033 . 1 . . 170 . . 3 LEU CB . 50149 1 4 . 1 . 1 3 3 LEU N N 15 122.914 0.022 . 1 . . 169 . . 3 LEU N . 50149 1 5 . 1 . 1 4 4 GLY H H 1 8.545 0.003 . 1 . . 173 . . 4 GLY H . 50149 1 6 . 1 . 1 4 4 GLY CA C 13 45.357 0.061 . 1 . . 374 . . 4 GLY CA . 50149 1 7 . 1 . 1 4 4 GLY N N 15 109.975 0.025 . 1 . . 174 . . 4 GLY N . 50149 1 8 . 1 . 1 5 5 SER H H 1 8.490 . . 1 . . 372 . . 5 SER H . 50149 1 9 . 1 . 1 5 5 SER N N 15 116.385 . . 1 . . 373 . . 5 SER N . 50149 1 10 . 1 . 1 8 8 GLN H H 1 8.306 0.003 . 1 . . 182 . . 8 GLN H . 50149 1 11 . 1 . 1 8 8 GLN CA C 13 60.144 0.078 . 1 . . 185 . . 8 GLN CA . 50149 1 12 . 1 . 1 8 8 GLN CB C 13 28.512 0.021 . 1 . . 184 . . 8 GLN CB . 50149 1 13 . 1 . 1 8 8 GLN N N 15 119.336 0.026 . 1 . . 183 . . 8 GLN N . 50149 1 14 . 1 . 1 9 9 LEU H H 1 8.295 0.003 . 1 . . 187 . . 9 LEU H . 50149 1 15 . 1 . 1 9 9 LEU CA C 13 58.250 0.082 . 1 . . 190 . . 9 LEU CA . 50149 1 16 . 1 . 1 9 9 LEU CB C 13 41.131 0.03 . 1 . . 189 . . 9 LEU CB . 50149 1 17 . 1 . 1 9 9 LEU N N 15 120.753 0.043 . 1 . . 188 . . 9 LEU N . 50149 1 18 . 1 . 1 10 10 LYS H H 1 7.942 0.003 . 1 . . 163 . . 10 LYS H . 50149 1 19 . 1 . 1 10 10 LYS CA C 13 60.055 . . 1 . . 166 . . 10 LYS CA . 50149 1 20 . 1 . 1 10 10 LYS CB C 13 32.056 . . 1 . . 165 . . 10 LYS CB . 50149 1 21 . 1 . 1 10 10 LYS N N 15 121.759 0.035 . 1 . . 164 . . 10 LYS N . 50149 1 22 . 1 . 1 11 11 HIS H H 1 7.895 0.003 . 1 . . 192 . . 11 HIS H . 50149 1 23 . 1 . 1 11 11 HIS CA C 13 59.926 . . 1 . . 195 . . 11 HIS CA . 50149 1 24 . 1 . 1 11 11 HIS CB C 13 30.726 . . 1 . . 194 . . 11 HIS CB . 50149 1 25 . 1 . 1 11 11 HIS N N 15 120.916 0.043 . 1 . . 193 . . 11 HIS N . 50149 1 26 . 1 . 1 13 13 ASN H H 1 8.241 0.002 . 1 . . 130 . . 13 ASN H . 50149 1 27 . 1 . 1 13 13 ASN CA C 13 56.703 . . 1 . . 132 . . 13 ASN CA . 50149 1 28 . 1 . 1 13 13 ASN CB C 13 38.676 . . 1 . . 133 . . 13 ASN CB . 50149 1 29 . 1 . 1 13 13 ASN N N 15 120.116 0.032 . 1 . . 131 . . 13 ASN N . 50149 1 30 . 1 . 1 14 14 GLY H H 1 7.806 0.009 . 1 . . 298 . . 14 GLY H . 50149 1 31 . 1 . 1 14 14 GLY CA C 13 47.325 0.031 . 1 . . 300 . . 14 GLY CA . 50149 1 32 . 1 . 1 14 14 GLY N N 15 106.620 0.014 . 1 . . 299 . . 14 GLY N . 50149 1 33 . 1 . 1 15 15 ILE H H 1 7.846 0.002 . 1 . . 293 . . 15 ILE H . 50149 1 34 . 1 . 1 15 15 ILE CA C 13 65.901 0.081 . 1 . . 295 . . 15 ILE CA . 50149 1 35 . 1 . 1 15 15 ILE CB C 13 37.967 0.078 . 1 . . 296 . . 15 ILE CB . 50149 1 36 . 1 . 1 15 15 ILE N N 15 123.363 0.024 . 1 . . 294 . . 15 ILE N . 50149 1 37 . 1 . 1 16 16 LEU H H 1 8.426 0.002 . 1 . . 244 . . 16 LEU H . 50149 1 38 . 1 . 1 16 16 LEU CA C 13 58.733 0.044 . 1 . . 246 . . 16 LEU CA . 50149 1 39 . 1 . 1 16 16 LEU CB C 13 42.097 0.006 . 1 . . 292 . . 16 LEU CB . 50149 1 40 . 1 . 1 16 16 LEU N N 15 121.263 0.041 . 1 . . 245 . . 16 LEU N . 50149 1 41 . 1 . 1 17 17 LYS H H 1 8.259 0.003 . 1 . . 282 . . 17 LYS H . 50149 1 42 . 1 . 1 17 17 LYS CA C 13 59.998 0.033 . 1 . . 285 . . 17 LYS CA . 50149 1 43 . 1 . 1 17 17 LYS CB C 13 32.252 0.044 . 1 . . 284 . . 17 LYS CB . 50149 1 44 . 1 . 1 17 17 LYS N N 15 116.255 0.018 . 1 . . 283 . . 17 LYS N . 50149 1 45 . 1 . 1 18 18 GLU H H 1 7.848 0.003 . 1 . . 287 . . 18 GLU H . 50149 1 46 . 1 . 1 18 18 GLU CA C 13 59.744 0.006 . 1 . . 289 . . 18 GLU CA . 50149 1 47 . 1 . 1 18 18 GLU CB C 13 28.513 . . 1 . . 290 . . 18 GLU CB . 50149 1 48 . 1 . 1 18 18 GLU N N 15 119.398 0.023 . 1 . . 288 . . 18 GLU N . 50149 1 49 . 1 . 1 19 19 LEU H H 1 8.900 0.003 . 1 . . 273 . . 19 LEU H . 50149 1 50 . 1 . 1 19 19 LEU CA C 13 58.552 0.045 . 1 . . 275 . . 19 LEU CA . 50149 1 51 . 1 . 1 19 19 LEU CB C 13 41.301 0.068 . 1 . . 276 . . 19 LEU CB . 50149 1 52 . 1 . 1 19 19 LEU N N 15 120.617 0.022 . 1 . . 274 . . 19 LEU N . 50149 1 53 . 1 . 1 20 20 LEU H H 1 7.528 0.003 . 1 . . 277 . . 20 LEU H . 50149 1 54 . 1 . 1 20 20 LEU CA C 13 55.088 0.032 . 1 . . 280 . . 20 LEU CA . 50149 1 55 . 1 . 1 20 20 LEU CB C 13 42.753 0.008 . 1 . . 279 . . 20 LEU CB . 50149 1 56 . 1 . 1 20 20 LEU N N 15 115.010 0.026 . 1 . . 278 . . 20 LEU N . 50149 1 57 . 1 . 1 21 21 SER H H 1 7.799 0.002 . 1 . . 100 . . 21 SER H . 50149 1 58 . 1 . 1 21 21 SER CA C 13 59.153 . . 1 . . 102 . . 21 SER CA . 50149 1 59 . 1 . 1 21 21 SER CB C 13 65.445 . . 1 . . 103 . . 21 SER CB . 50149 1 60 . 1 . 1 21 21 SER N N 15 116.123 0.015 . 1 . . 101 . . 21 SER N . 50149 1 61 . 1 . 1 24 24 HIS H H 1 6.644 0.001 . 1 . . 95 . . 24 HIS H . 50149 1 62 . 1 . 1 24 24 HIS CA C 13 54.371 0.052 . 1 . . 98 . . 24 HIS CA . 50149 1 63 . 1 . 1 24 24 HIS CB C 13 31.359 0.033 . 1 . . 97 . . 24 HIS CB . 50149 1 64 . 1 . 1 24 24 HIS N N 15 113.518 0.016 . 1 . . 96 . . 24 HIS N . 50149 1 65 . 1 . 1 25 25 ALA H H 1 7.385 0.001 . 1 . . 90 . . 25 ALA H . 50149 1 66 . 1 . 1 25 25 ALA CA C 13 55.778 0.071 . 1 . . 92 . . 25 ALA CA . 50149 1 67 . 1 . 1 25 25 ALA CB C 13 19.559 0.019 . 1 . . 93 . . 25 ALA CB . 50149 1 68 . 1 . 1 25 25 ALA N N 15 122.195 0.016 . 1 . . 91 . . 25 ALA N . 50149 1 69 . 1 . 1 26 26 ALA H H 1 8.539 0.002 . 1 . . 70 . . 26 ALA H . 50149 1 70 . 1 . 1 26 26 ALA CA C 13 54.916 0.047 . 1 . . 73 . . 26 ALA CA . 50149 1 71 . 1 . 1 26 26 ALA CB C 13 18.727 0.042 . 1 . . 74 . . 26 ALA CB . 50149 1 72 . 1 . 1 26 26 ALA N N 15 117.180 0.028 . 1 . . 71 . . 26 ALA N . 50149 1 73 . 1 . 1 27 27 TYR H H 1 6.947 0.004 . 1 . . 75 . . 27 TYR H . 50149 1 74 . 1 . 1 27 27 TYR CA C 13 54.824 0.04 . 1 . . 78 . . 27 TYR CA . 50149 1 75 . 1 . 1 27 27 TYR CB C 13 38.521 0.04 . 1 . . 79 . . 27 TYR CB . 50149 1 76 . 1 . 1 27 27 TYR N N 15 110.622 0.013 . 1 . . 76 . . 27 TYR N . 50149 1 77 . 1 . 1 28 28 ALA H H 1 7.905 0.005 . 1 . . 80 . . 28 ALA H . 50149 1 78 . 1 . 1 28 28 ALA CA C 13 52.360 0.01 . 1 . . 83 . . 28 ALA CA . 50149 1 79 . 1 . 1 28 28 ALA CB C 13 21.979 0.049 . 1 . . 84 . . 28 ALA CB . 50149 1 80 . 1 . 1 28 28 ALA N N 15 119.092 0.05 . 1 . . 81 . . 28 ALA N . 50149 1 81 . 1 . 1 29 29 TRP H H 1 6.834 0.003 . 1 . . 85 . . 29 TRP H . 50149 1 82 . 1 . 1 29 29 TRP CA C 13 59.105 . . 1 . . 88 . . 29 TRP CA . 50149 1 83 . 1 . 1 29 29 TRP CB C 13 27.668 . . 1 . . 87 . . 29 TRP CB . 50149 1 84 . 1 . 1 29 29 TRP N N 15 115.154 0.016 . 1 . . 86 . . 29 TRP N . 50149 1 85 . 1 . 1 31 31 PHE H H 1 7.724 0.001 . 1 . . 302 . . 31 PHE H . 50149 1 86 . 1 . 1 31 31 PHE CA C 13 57.062 0.009 . 1 . . 305 . . 31 PHE CA . 50149 1 87 . 1 . 1 31 31 PHE CB C 13 38.147 0.0 . 1 . . 304 . . 31 PHE CB . 50149 1 88 . 1 . 1 31 31 PHE N N 15 113.186 0.016 . 1 . . 303 . . 31 PHE N . 50149 1 89 . 1 . 1 32 32 TYR H H 1 7.391 0.002 . 1 . . 307 . . 32 TYR H . 50149 1 90 . 1 . 1 32 32 TYR CA C 13 57.290 0.027 . 1 . . 310 . . 32 TYR CA . 50149 1 91 . 1 . 1 32 32 TYR CB C 13 38.116 0.008 . 1 . . 309 . . 32 TYR CB . 50149 1 92 . 1 . 1 32 32 TYR N N 15 117.789 0.032 . 1 . . 308 . . 32 TYR N . 50149 1 93 . 1 . 1 33 33 LYS H H 1 7.693 0.002 . 1 . . 312 . . 33 LYS H . 50149 1 94 . 1 . 1 33 33 LYS CA C 13 53.172 . . 1 . . 315 . . 33 LYS CA . 50149 1 95 . 1 . 1 33 33 LYS CB C 13 33.758 . . 1 . . 314 . . 33 LYS CB . 50149 1 96 . 1 . 1 33 33 LYS N N 15 115.158 0.013 . 1 . . 313 . . 33 LYS N . 50149 1 97 . 1 . 1 35 35 VAL H H 1 8.472 0.002 . 1 . . 230 . . 35 VAL H . 50149 1 98 . 1 . 1 35 35 VAL CA C 13 64.396 0.023 . 1 . . 233 . . 35 VAL CA . 50149 1 99 . 1 . 1 35 35 VAL CB C 13 32.314 . . 1 . . 232 . . 35 VAL CB . 50149 1 100 . 1 . 1 35 35 VAL N N 15 125.171 0.028 . 1 . . 231 . . 35 VAL N . 50149 1 101 . 1 . 1 36 36 ASP H H 1 8.320 0.004 . 1 . . 235 . . 36 ASP H . 50149 1 102 . 1 . 1 36 36 ASP CA C 13 51.937 0.088 . 1 . . 237 . . 36 ASP CA . 50149 1 103 . 1 . 1 36 36 ASP CB C 13 40.127 0.081 . 1 . . 238 . . 36 ASP CB . 50149 1 104 . 1 . 1 36 36 ASP N N 15 129.069 0.031 . 1 . . 236 . . 36 ASP N . 50149 1 105 . 1 . 1 37 37 ALA H H 1 8.403 0.003 . 1 . . 240 . . 37 ALA H . 50149 1 106 . 1 . 1 37 37 ALA CA C 13 54.419 . . 1 . . 242 . . 37 ALA CA . 50149 1 107 . 1 . 1 37 37 ALA N N 15 126.016 0.026 . 1 . . 241 . . 37 ALA N . 50149 1 108 . 1 . 1 38 38 SER H H 1 8.392 0.001 . 1 . . 2 . . 38 SER H . 50149 1 109 . 1 . 1 38 38 SER CA C 13 60.503 0.057 . 1 . . 4 . . 38 SER CA . 50149 1 110 . 1 . 1 38 38 SER CB C 13 63.160 0.088 . 1 . . 5 . . 38 SER CB . 50149 1 111 . 1 . 1 38 38 SER N N 15 112.723 0.029 . 1 . . 3 . . 38 SER N . 50149 1 112 . 1 . 1 39 39 ALA H H 1 7.640 0.003 . 1 . . 6 . . 39 ALA H . 50149 1 113 . 1 . 1 39 39 ALA CA C 13 53.457 . . 1 . . 8 . . 39 ALA CA . 50149 1 114 . 1 . 1 39 39 ALA CB C 13 18.952 . . 1 . . 9 . . 39 ALA CB . 50149 1 115 . 1 . 1 39 39 ALA N N 15 125.591 0.029 . 1 . . 7 . . 39 ALA N . 50149 1 116 . 1 . 1 41 41 GLY CA C 13 46.098 . . 1 . . 375 . . 41 GLY CA . 50149 1 117 . 1 . 1 42 42 LEU H H 1 8.052 0.001 . 1 . . 135 . . 42 LEU H . 50149 1 118 . 1 . 1 42 42 LEU CA C 13 53.038 . . 1 . . 137 . . 42 LEU CA . 50149 1 119 . 1 . 1 42 42 LEU CB C 13 40.820 . . 1 . . 138 . . 42 LEU CB . 50149 1 120 . 1 . 1 42 42 LEU N N 15 120.376 0.007 . 1 . . 136 . . 42 LEU N . 50149 1 121 . 1 . 1 43 43 HIS CA C 13 58.429 . . 1 . . 376 . . 43 HIS CA . 50149 1 122 . 1 . 1 43 43 HIS CB C 13 30.217 . . 1 . . 377 . . 43 HIS CB . 50149 1 123 . 1 . 1 44 44 ASP H H 1 8.359 0.003 . 1 . . 267 . . 44 ASP H . 50149 1 124 . 1 . 1 44 44 ASP CA C 13 52.879 . . 1 . . 380 . . 44 ASP CA . 50149 1 125 . 1 . 1 44 44 ASP CB C 13 40.822 . . 1 . . 381 . . 44 ASP CB . 50149 1 126 . 1 . 1 44 44 ASP N N 15 117.313 0.02 . 1 . . 268 . . 44 ASP N . 50149 1 127 . 1 . 1 45 45 TYR H H 1 7.752 0.003 . 1 . . 348 . . 45 TYR H . 50149 1 128 . 1 . 1 45 45 TYR CB C 13 39.693 . . 1 . . 350 . . 45 TYR CB . 50149 1 129 . 1 . 1 45 45 TYR N N 15 122.597 0.03 . 1 . . 349 . . 45 TYR N . 50149 1 130 . 1 . 1 46 46 HIS H H 1 8.183 0.001 . 1 . . 211 . . 46 HIS H . 50149 1 131 . 1 . 1 46 46 HIS CA C 13 57.683 0.082 . 1 . . 213 . . 46 HIS CA . 50149 1 132 . 1 . 1 46 46 HIS CB C 13 29.010 0.095 . 1 . . 214 . . 46 HIS CB . 50149 1 133 . 1 . 1 46 46 HIS N N 15 113.001 0.035 . 1 . . 212 . . 46 HIS N . 50149 1 134 . 1 . 1 47 47 ASP H H 1 7.433 0.004 . 1 . . 216 . . 47 ASP H . 50149 1 135 . 1 . 1 47 47 ASP CA C 13 55.919 0.039 . 1 . . 219 . . 47 ASP CA . 50149 1 136 . 1 . 1 47 47 ASP CB C 13 41.088 0.019 . 1 . . 218 . . 47 ASP CB . 50149 1 137 . 1 . 1 47 47 ASP N N 15 118.056 0.019 . 1 . . 217 . . 47 ASP N . 50149 1 138 . 1 . 1 48 48 ILE H H 1 7.121 0.004 . 1 . . 220 . . 48 ILE H . 50149 1 139 . 1 . 1 48 48 ILE CA C 13 62.109 . . 1 . . 223 . . 48 ILE CA . 50149 1 140 . 1 . 1 48 48 ILE CB C 13 39.756 . . 1 . . 222 . . 48 ILE CB . 50149 1 141 . 1 . 1 48 48 ILE N N 15 118.960 0.017 . 1 . . 221 . . 48 ILE N . 50149 1 142 . 1 . 1 51 51 HIS H H 1 8.213 0.005 . 1 . . 325 . . 51 HIS H . 50149 1 143 . 1 . 1 51 51 HIS CA C 13 52.549 . . 1 . . 382 . . 51 HIS CA . 50149 1 144 . 1 . 1 51 51 HIS CB C 13 30.161 . . 1 . . 327 . . 51 HIS CB . 50149 1 145 . 1 . 1 51 51 HIS N N 15 116.910 0.021 . 1 . . 326 . . 51 HIS N . 50149 1 146 . 1 . 1 53 53 MET H H 1 8.224 0.003 . 1 . . 354 . . 53 MET H . 50149 1 147 . 1 . 1 53 53 MET CA C 13 54.055 0.044 . 1 . . 356 . . 53 MET CA . 50149 1 148 . 1 . 1 53 53 MET N N 15 119.041 0.049 . 1 . . 355 . . 53 MET N . 50149 1 149 . 1 . 1 54 54 ASP H H 1 7.397 0.002 . 1 . . 197 . . 54 ASP H . 50149 1 150 . 1 . 1 54 54 ASP CA C 13 53.550 0.065 . 1 . . 200 . . 54 ASP CA . 50149 1 151 . 1 . 1 54 54 ASP CB C 13 43.741 0.062 . 1 . . 199 . . 54 ASP CB . 50149 1 152 . 1 . 1 54 54 ASP N N 15 120.166 0.02 . 1 . . 198 . . 54 ASP N . 50149 1 153 . 1 . 1 55 55 LEU H H 1 9.120 0.001 . 1 . . 202 . . 55 LEU H . 50149 1 154 . 1 . 1 55 55 LEU CA C 13 58.613 0.014 . 1 . . 204 . . 55 LEU CA . 50149 1 155 . 1 . 1 55 55 LEU CB C 13 42.384 0.09 . 1 . . 205 . . 55 LEU CB . 50149 1 156 . 1 . 1 55 55 LEU N N 15 119.260 0.029 . 1 . . 203 . . 55 LEU N . 50149 1 157 . 1 . 1 56 56 SER H H 1 8.690 0.002 . 1 . . 176 . . 56 SER H . 50149 1 158 . 1 . 1 56 56 SER CB C 13 62.049 0.01 . 1 . . 178 . . 56 SER CB . 50149 1 159 . 1 . 1 56 56 SER N N 15 118.610 0.047 . 1 . . 177 . . 56 SER N . 50149 1 160 . 1 . 1 57 57 THR H H 1 7.467 0.005 . 1 . . 145 . . 57 THR H . 50149 1 161 . 1 . 1 57 57 THR CB C 13 68.031 0.043 . 1 . . 147 . . 57 THR CB . 50149 1 162 . 1 . 1 57 57 THR N N 15 125.313 0.017 . 1 . . 146 . . 57 THR N . 50149 1 163 . 1 . 1 58 58 VAL H H 1 7.553 0.002 . 1 . . 148 . . 58 VAL H . 50149 1 164 . 1 . 1 58 58 VAL CA C 13 65.711 0.036 . 1 . . 151 . . 58 VAL CA . 50149 1 165 . 1 . 1 58 58 VAL CB C 13 31.996 . . 1 . . 150 . . 58 VAL CB . 50149 1 166 . 1 . 1 58 58 VAL N N 15 122.748 0.046 . 1 . . 149 . . 58 VAL N . 50149 1 167 . 1 . 1 59 59 LYS H H 1 8.434 0.004 . 1 . . 153 . . 59 LYS H . 50149 1 168 . 1 . 1 59 59 LYS CA C 13 60.150 0.073 . 1 . . 155 . . 59 LYS CA . 50149 1 169 . 1 . 1 59 59 LYS CB C 13 32.963 0.023 . 1 . . 156 . . 59 LYS CB . 50149 1 170 . 1 . 1 59 59 LYS N N 15 118.815 0.04 . 1 . . 154 . . 59 LYS N . 50149 1 171 . 1 . 1 60 60 ARG H H 1 7.845 0.003 . 1 . . 158 . . 60 ARG H . 50149 1 172 . 1 . 1 60 60 ARG CA C 13 59.469 0.038 . 1 . . 161 . . 60 ARG CA . 50149 1 173 . 1 . 1 60 60 ARG CB C 13 29.886 0.01 . 1 . . 160 . . 60 ARG CB . 50149 1 174 . 1 . 1 60 60 ARG N N 15 120.079 0.025 . 1 . . 159 . . 60 ARG N . 50149 1 175 . 1 . 1 61 61 LYS H H 1 8.471 0.002 . 1 . . 125 . . 61 LYS H . 50149 1 176 . 1 . 1 61 61 LYS CA C 13 59.996 0.036 . 1 . . 127 . . 61 LYS CA . 50149 1 177 . 1 . 1 61 61 LYS CB C 13 31.782 . . 1 . . 128 . . 61 LYS CB . 50149 1 178 . 1 . 1 61 61 LYS N N 15 119.546 0.012 . 1 . . 126 . . 61 LYS N . 50149 1 179 . 1 . 1 62 62 MET H H 1 8.807 0.002 . 1 . . 120 . . 62 MET H . 50149 1 180 . 1 . 1 62 62 MET CA C 13 58.115 0.0 . 1 . . 122 . . 62 MET CA . 50149 1 181 . 1 . 1 62 62 MET CB C 13 31.936 0.048 . 1 . . 123 . . 62 MET CB . 50149 1 182 . 1 . 1 62 62 MET N N 15 119.783 0.027 . 1 . . 121 . . 62 MET N . 50149 1 183 . 1 . 1 63 63 GLU H H 1 8.793 0.0 . 1 . . 115 . . 63 GLU H . 50149 1 184 . 1 . 1 63 63 GLU CA C 13 59.184 0.031 . 1 . . 118 . . 63 GLU CA . 50149 1 185 . 1 . 1 63 63 GLU CB C 13 29.348 0.015 . 1 . . 117 . . 63 GLU CB . 50149 1 186 . 1 . 1 63 63 GLU N N 15 121.494 0.018 . 1 . . 116 . . 63 GLU N . 50149 1 187 . 1 . 1 64 64 ASN H H 1 8.122 0.004 . 1 . . 110 . . 64 ASN H . 50149 1 188 . 1 . 1 64 64 ASN CA C 13 53.095 0.052 . 1 . . 112 . . 64 ASN CA . 50149 1 189 . 1 . 1 64 64 ASN CB C 13 38.700 0.02 . 1 . . 113 . . 64 ASN CB . 50149 1 190 . 1 . 1 64 64 ASN N N 15 116.431 0.017 . 1 . . 111 . . 64 ASN N . 50149 1 191 . 1 . 1 65 65 ARG H H 1 7.795 0.001 . 1 . . 105 . . 65 ARG H . 50149 1 192 . 1 . 1 65 65 ARG CA C 13 57.127 0.076 . 1 . . 107 . . 65 ARG CA . 50149 1 193 . 1 . 1 65 65 ARG CB C 13 25.848 0.02 . 1 . . 108 . . 65 ARG CB . 50149 1 194 . 1 . 1 65 65 ARG N N 15 114.087 0.012 . 1 . . 106 . . 65 ARG N . 50149 1 195 . 1 . 1 66 66 ASP H H 1 8.575 0.003 . 1 . . 65 . . 66 ASP H . 50149 1 196 . 1 . 1 66 66 ASP CA C 13 56.066 0.065 . 1 . . 68 . . 66 ASP CA . 50149 1 197 . 1 . 1 66 66 ASP CB C 13 41.805 0.06 . 1 . . 69 . . 66 ASP CB . 50149 1 198 . 1 . 1 66 66 ASP N N 15 116.337 0.023 . 1 . . 66 . . 66 ASP N . 50149 1 199 . 1 . 1 67 67 TYR H H 1 7.200 0.001 . 1 . . 11 . . 67 TYR H . 50149 1 200 . 1 . 1 67 67 TYR CA C 13 57.474 0.034 . 1 . . 14 . . 67 TYR CA . 50149 1 201 . 1 . 1 67 67 TYR CB C 13 38.693 0.028 . 1 . . 13 . . 67 TYR CB . 50149 1 202 . 1 . 1 67 67 TYR N N 15 115.541 0.015 . 1 . . 12 . . 67 TYR N . 50149 1 203 . 1 . 1 68 68 ARG H H 1 9.632 0.003 . 1 . . 16 . . 68 ARG H . 50149 1 204 . 1 . 1 68 68 ARG CA C 13 57.307 0.006 . 1 . . 18 . . 68 ARG CA . 50149 1 205 . 1 . 1 68 68 ARG CB C 13 31.093 0.04 . 1 . . 19 . . 68 ARG CB . 50149 1 206 . 1 . 1 68 68 ARG N N 15 123.218 0.024 . 1 . . 17 . . 68 ARG N . 50149 1 207 . 1 . 1 69 69 ASP H H 1 7.610 0.0 . 1 . . 21 . . 69 ASP H . 50149 1 208 . 1 . 1 69 69 ASP CA C 13 52.654 0.028 . 1 . . 23 . . 69 ASP CA . 50149 1 209 . 1 . 1 69 69 ASP CB C 13 42.817 0.003 . 1 . . 24 . . 69 ASP CB . 50149 1 210 . 1 . 1 69 69 ASP N N 15 112.927 0.025 . 1 . . 22 . . 69 ASP N . 50149 1 211 . 1 . 1 70 70 ALA H H 1 8.920 0.002 . 1 . . 26 . . 70 ALA H . 50149 1 212 . 1 . 1 70 70 ALA CA C 13 54.694 0.051 . 1 . . 29 . . 70 ALA CA . 50149 1 213 . 1 . 1 70 70 ALA CB C 13 20.338 0.065 . 1 . . 30 . . 70 ALA CB . 50149 1 214 . 1 . 1 70 70 ALA N N 15 120.395 0.03 . 1 . . 27 . . 70 ALA N . 50149 1 215 . 1 . 1 71 71 GLN H H 1 8.515 0.002 . 1 . . 31 . . 71 GLN H . 50149 1 216 . 1 . 1 71 71 GLN CA C 13 59.587 0.072 . 1 . . 34 . . 71 GLN CA . 50149 1 217 . 1 . 1 71 71 GLN CB C 13 27.599 0.033 . 1 . . 33 . . 71 GLN CB . 50149 1 218 . 1 . 1 71 71 GLN N N 15 117.921 0.016 . 1 . . 32 . . 71 GLN N . 50149 1 219 . 1 . 1 72 72 GLU H H 1 8.391 0.002 . 1 . . 36 . . 72 GLU H . 50149 1 220 . 1 . 1 72 72 GLU CA C 13 59.534 0.022 . 1 . . 38 . . 72 GLU CA . 50149 1 221 . 1 . 1 72 72 GLU CB C 13 31.096 0.058 . 1 . . 39 . . 72 GLU CB . 50149 1 222 . 1 . 1 72 72 GLU N N 15 121.837 0.018 . 1 . . 37 . . 72 GLU N . 50149 1 223 . 1 . 1 73 73 PHE H H 1 6.807 0.002 . 1 . . 41 . . 73 PHE H . 50149 1 224 . 1 . 1 73 73 PHE CA C 13 59.989 0.017 . 1 . . 43 . . 73 PHE CA . 50149 1 225 . 1 . 1 73 73 PHE CB C 13 38.213 . . 1 . . 44 . . 73 PHE CB . 50149 1 226 . 1 . 1 73 73 PHE N N 15 120.910 0.024 . 1 . . 42 . . 73 PHE N . 50149 1 227 . 1 . 1 74 74 ALA H H 1 8.565 0.003 . 1 . . 46 . . 74 ALA H . 50149 1 228 . 1 . 1 74 74 ALA CA C 13 54.677 0.028 . 1 . . 48 . . 74 ALA CA . 50149 1 229 . 1 . 1 74 74 ALA CB C 13 17.409 0.03 . 1 . . 49 . . 74 ALA CB . 50149 1 230 . 1 . 1 74 74 ALA N N 15 121.575 0.062 . 1 . . 47 . . 74 ALA N . 50149 1 231 . 1 . 1 75 75 ALA H H 1 8.020 0.004 . 1 . . 50 . . 75 ALA H . 50149 1 232 . 1 . 1 75 75 ALA CA C 13 54.961 0.065 . 1 . . 53 . . 75 ALA CA . 50149 1 233 . 1 . 1 75 75 ALA CB C 13 17.641 0.04 . 1 . . 54 . . 75 ALA CB . 50149 1 234 . 1 . 1 75 75 ALA N N 15 117.959 0.029 . 1 . . 51 . . 75 ALA N . 50149 1 235 . 1 . 1 76 76 ASP H H 1 7.142 0.003 . 1 . . 55 . . 76 ASP H . 50149 1 236 . 1 . 1 76 76 ASP CA C 13 56.944 0.048 . 1 . . 58 . . 76 ASP CA . 50149 1 237 . 1 . 1 76 76 ASP CB C 13 39.767 0.006 . 1 . . 57 . . 76 ASP CB . 50149 1 238 . 1 . 1 76 76 ASP N N 15 119.787 0.018 . 1 . . 56 . . 76 ASP N . 50149 1 239 . 1 . 1 77 77 VAL H H 1 7.259 0.003 . 1 . . 60 . . 77 VAL H . 50149 1 240 . 1 . 1 77 77 VAL CA C 13 67.082 . . 1 . . 63 . . 77 VAL CA . 50149 1 241 . 1 . 1 77 77 VAL CB C 13 31.058 . . 1 . . 64 . . 77 VAL CB . 50149 1 242 . 1 . 1 77 77 VAL N N 15 120.028 0.042 . 1 . . 61 . . 77 VAL N . 50149 1 243 . 1 . 1 78 78 ARG H H 1 8.361 0.001 . 1 . . 357 . . 78 ARG H . 50149 1 244 . 1 . 1 78 78 ARG N N 15 115.440 0.037 . 1 . . 358 . . 78 ARG N . 50149 1 245 . 1 . 1 80 80 MET H H 1 7.274 0.003 . 1 . . 247 . . 80 MET H . 50149 1 246 . 1 . 1 80 80 MET CA C 13 59.579 0.09 . 1 . . 249 . . 80 MET CA . 50149 1 247 . 1 . 1 80 80 MET CB C 13 33.493 0.092 . 1 . . 250 . . 80 MET CB . 50149 1 248 . 1 . 1 80 80 MET N N 15 117.613 0.019 . 1 . . 248 . . 80 MET N . 50149 1 249 . 1 . 1 81 81 PHE H H 1 6.988 0.005 . 1 . . 322 . . 81 PHE H . 50149 1 250 . 1 . 1 81 81 PHE N N 15 117.372 0.018 . 1 . . 323 . . 81 PHE N . 50149 1 251 . 1 . 1 84 84 CYS H H 1 7.060 0.003 . 1 . . 252 . . 84 CYS H . 50149 1 252 . 1 . 1 84 84 CYS CA C 13 62.677 . . 1 . . 255 . . 84 CYS CA . 50149 1 253 . 1 . 1 84 84 CYS CB C 13 25.995 . . 1 . . 254 . . 84 CYS CB . 50149 1 254 . 1 . 1 84 84 CYS N N 15 120.439 0.04 . 1 . . 253 . . 84 CYS N . 50149 1 255 . 1 . 1 91 91 ASP H H 1 8.239 0.004 . 1 . . 206 . . 91 ASP H . 50149 1 256 . 1 . 1 91 91 ASP CA C 13 53.072 . . 1 . . 208 . . 91 ASP CA . 50149 1 257 . 1 . 1 91 91 ASP CB C 13 39.822 . . 1 . . 209 . . 91 ASP CB . 50149 1 258 . 1 . 1 91 91 ASP N N 15 113.927 0.03 . 1 . . 207 . . 91 ASP N . 50149 1 259 . 1 . 1 93 93 ASP H H 1 8.896 0.001 . 1 . . 352 . . 93 ASP H . 50149 1 260 . 1 . 1 93 93 ASP N N 15 130.264 0.041 . 1 . . 353 . . 93 ASP N . 50149 1 261 . 1 . 1 95 95 VAL H H 1 7.338 0.002 . 1 . . 360 . . 95 VAL H . 50149 1 262 . 1 . 1 95 95 VAL CA C 13 66.802 0.012 . 1 . . 362 . . 95 VAL CA . 50149 1 263 . 1 . 1 95 95 VAL CB C 13 31.289 . . 1 . . 363 . . 95 VAL CB . 50149 1 264 . 1 . 1 95 95 VAL N N 15 122.160 0.012 . 1 . . 361 . . 95 VAL N . 50149 1 265 . 1 . 1 96 96 ALA H H 1 7.210 0.002 . 1 . . 257 . . 96 ALA H . 50149 1 266 . 1 . 1 96 96 ALA CA C 13 55.152 0.032 . 1 . . 259 . . 96 ALA CA . 50149 1 267 . 1 . 1 96 96 ALA CB C 13 17.898 0.034 . 1 . . 260 . . 96 ALA CB . 50149 1 268 . 1 . 1 96 96 ALA N N 15 121.797 0.025 . 1 . . 258 . . 96 ALA N . 50149 1 269 . 1 . 1 97 97 MET H H 1 7.870 0.002 . 1 . . 262 . . 97 MET H . 50149 1 270 . 1 . 1 97 97 MET CA C 13 60.662 0.082 . 1 . . 264 . . 97 MET CA . 50149 1 271 . 1 . 1 97 97 MET CB C 13 32.105 0.046 . 1 . . 265 . . 97 MET CB . 50149 1 272 . 1 . 1 97 97 MET N N 15 118.712 0.027 . 1 . . 263 . . 97 MET N . 50149 1 273 . 1 . 1 98 98 ALA H H 1 8.712 0.002 . 1 . . 225 . . 98 ALA H . 50149 1 274 . 1 . 1 98 98 ALA CA C 13 55.591 . . 1 . . 227 . . 98 ALA CA . 50149 1 275 . 1 . 1 98 98 ALA CB C 13 20.056 . . 1 . . 228 . . 98 ALA CB . 50149 1 276 . 1 . 1 98 98 ALA N N 15 121.414 0.043 . 1 . . 226 . . 98 ALA N . 50149 1 277 . 1 . 1 100 100 LYS H H 1 7.405 0.002 . 1 . . 344 . . 100 LYS H . 50149 1 278 . 1 . 1 100 100 LYS CA C 13 59.176 0.026 . 1 . . 346 . . 100 LYS CA . 50149 1 279 . 1 . 1 100 100 LYS CB C 13 32.409 . . 1 . . 369 . . 100 LYS CB . 50149 1 280 . 1 . 1 100 100 LYS N N 15 118.759 0.028 . 1 . . 345 . . 100 LYS N . 50149 1 281 . 1 . 1 101 101 LEU H H 1 8.346 0.005 . 1 . . 370 . . 101 LEU H . 50149 1 282 . 1 . 1 101 101 LEU N N 15 120.793 0.038 . 1 . . 371 . . 101 LEU N . 50149 1 283 . 1 . 1 102 102 GLN H H 1 9.230 0.0 . 1 . . 270 . . 102 GLN H . 50149 1 284 . 1 . 1 102 102 GLN N N 15 121.553 0.006 . 1 . . 271 . . 102 GLN N . 50149 1 285 . 1 . 1 106 106 GLU H H 1 9.550 0.005 . 1 . . 331 . . 106 GLU H . 50149 1 286 . 1 . 1 106 106 GLU CA C 13 58.549 . . 1 . . 379 . . 106 GLU CA . 50149 1 287 . 1 . 1 106 106 GLU N N 15 117.234 0.063 . 1 . . 332 . . 106 GLU N . 50149 1 288 . 1 . 1 112 112 MET H H 1 6.974 0.001 . 1 . . 317 . . 112 MET H . 50149 1 289 . 1 . 1 112 112 MET CA C 13 53.935 . . 1 . . 320 . . 112 MET CA . 50149 1 290 . 1 . 1 112 112 MET CB C 13 33.183 . . 1 . . 319 . . 112 MET CB . 50149 1 291 . 1 . 1 112 112 MET N N 15 122.329 0.032 . 1 . . 318 . . 112 MET N . 50149 1 292 . 1 . 1 114 114 ASP H H 1 7.828 0.001 . 1 . . 140 . . 114 ASP H . 50149 1 293 . 1 . 1 114 114 ASP CA C 13 56.140 . . 1 . . 142 . . 114 ASP CA . 50149 1 294 . 1 . 1 114 114 ASP CB C 13 42.218 . . 1 . . 143 . . 114 ASP CB . 50149 1 295 . 1 . 1 114 114 ASP N N 15 125.315 0.025 . 1 . . 141 . . 114 ASP N . 50149 1 stop_ save_