################################### # 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 51510 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FGFR1 TMD-JMD' _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' . . . 51510 1 2 '3D HN(CA)CO' . . . 51510 1 3 '3D HN(CO)CACB' . . . 51510 1 4 '3D HNCACB' . . . 51510 1 5 '3D HNCO' . . . 51510 1 6 '3D HN(CO)CA' . . . 51510 1 7 '3D HNCA' . . . 51510 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 $software_1 . . 51510 1 2 $software_2 . . 51510 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 2 2 GLY H H 1 8.520 0.0 . 1 . . 179 . . 2 GLY H . 51510 1 2 . 1 . 1 2 2 GLY CA C 13 44.797 0.014 . 1 . . 248 . . 2 GLY CA . 51510 1 3 . 1 . 1 2 2 GLY N N 15 110.680 0.023 . 1 . . 180 . . 2 GLY N . 51510 1 4 . 1 . 1 3 3 SER H H 1 8.144 0.001 . 1 . . 53 . . 3 SER H . 51510 1 5 . 1 . 1 3 3 SER CA C 13 58.013 0.068 . 1 . . 256 . . 3 SER CA . 51510 1 6 . 1 . 1 3 3 SER CB C 13 63.542 0.009 . 1 . . 257 . . 3 SER CB . 51510 1 7 . 1 . 1 3 3 SER N N 15 115.995 0.03 . 1 . . 54 . . 3 SER N . 51510 1 8 . 1 . 1 4 4 SER H H 1 8.254 0.001 . 1 . . 107 . . 4 SER H . 51510 1 9 . 1 . 1 4 4 SER CA C 13 58.312 0.005 . 1 . . 278 . . 4 SER CA . 51510 1 10 . 1 . 1 4 4 SER CB C 13 63.267 0.095 . 1 . . 279 . . 4 SER CB . 51510 1 11 . 1 . 1 4 4 SER N N 15 118.140 0.001 . 1 . . 108 . . 4 SER N . 51510 1 12 . 1 . 1 5 5 HIS H H 1 8.356 0.001 . 1 . . 171 . . 5 HIS H . 51510 1 13 . 1 . 1 5 5 HIS CA C 13 55.526 . . 1 . . 368 . . 5 HIS CA . 51510 1 14 . 1 . 1 5 5 HIS CB C 13 28.246 0.02 . 1 . . 367 . . 5 HIS CB . 51510 1 15 . 1 . 1 5 5 HIS N N 15 122.378 0.004 . 1 . . 172 . . 5 HIS N . 51510 1 16 . 1 . 1 6 6 HIS H H 1 8.491 0.001 . 1 . . 119 . . 6 HIS H . 51510 1 17 . 1 . 1 6 6 HIS CA C 13 54.560 0.027 . 1 . . 345 . . 6 HIS CA . 51510 1 18 . 1 . 1 6 6 HIS CB C 13 28.238 0.045 . 1 . . 344 . . 6 HIS CB . 51510 1 19 . 1 . 1 6 6 HIS N N 15 119.931 0.017 . 1 . . 120 . . 6 HIS N . 51510 1 20 . 1 . 1 7 7 HIS H H 1 8.538 0.0 . 1 . . 59 . . 7 HIS H . 51510 1 21 . 1 . 1 7 7 HIS CA C 13 54.551 0.049 . 1 . . 346 . . 7 HIS CA . 51510 1 22 . 1 . 1 7 7 HIS CB C 13 28.207 . . 1 . . 347 . . 7 HIS CB . 51510 1 23 . 1 . 1 7 7 HIS N N 15 120.219 0.005 . 1 . . 60 . . 7 HIS N . 51510 1 24 . 1 . 1 8 8 HIS H H 1 8.597 0.0 . 1 . . 233 . . 8 HIS H . 51510 1 25 . 1 . 1 8 8 HIS CA C 13 54.620 0.058 . 1 . . 351 . . 8 HIS CA . 51510 1 26 . 1 . 1 8 8 HIS CB C 13 28.397 0.064 . 1 . . 350 . . 8 HIS CB . 51510 1 27 . 1 . 1 8 8 HIS N N 15 120.818 0.04 . 1 . . 234 . . 8 HIS N . 51510 1 28 . 1 . 1 9 9 HIS H H 1 8.612 0.001 . 1 . . 165 . . 9 HIS H . 51510 1 29 . 1 . 1 9 9 HIS CA C 13 54.765 0.06 . 1 . . 355 . . 9 HIS CA . 51510 1 30 . 1 . 1 9 9 HIS CB C 13 28.466 0.053 . 1 . . 356 . . 9 HIS CB . 51510 1 31 . 1 . 1 9 9 HIS N N 15 121.291 0.019 . 1 . . 166 . . 9 HIS N . 51510 1 32 . 1 . 1 10 10 HIS H H 1 8.607 0.0 . 1 . . 237 . . 10 HIS H . 51510 1 33 . 1 . 1 10 10 HIS CA C 13 54.786 0.038 . 1 . . 358 . . 10 HIS CA . 51510 1 34 . 1 . 1 10 10 HIS CB C 13 28.488 0.042 . 1 . . 357 . . 10 HIS CB . 51510 1 35 . 1 . 1 10 10 HIS N N 15 121.870 0.012 . 1 . . 238 . . 10 HIS N . 51510 1 36 . 1 . 1 11 11 SER H H 1 8.409 0.001 . 1 . . 123 . . 11 SER H . 51510 1 37 . 1 . 1 11 11 SER CA C 13 57.595 0.004 . 1 . . 294 . . 11 SER CA . 51510 1 38 . 1 . 1 11 11 SER CB C 13 63.696 0.045 . 1 . . 295 . . 11 SER CB . 51510 1 39 . 1 . 1 11 11 SER N N 15 119.019 0.004 . 1 . . 124 . . 11 SER N . 51510 1 40 . 1 . 1 12 12 SER H H 1 8.477 0.001 . 1 . . 37 . . 12 SER H . 51510 1 41 . 1 . 1 12 12 SER CA C 13 58.180 0.001 . 1 . . 286 . . 12 SER CA . 51510 1 42 . 1 . 1 12 12 SER CB C 13 63.502 0.016 . 1 . . 287 . . 12 SER CB . 51510 1 43 . 1 . 1 12 12 SER N N 15 118.741 0.002 . 1 . . 38 . . 12 SER N . 51510 1 44 . 1 . 1 13 13 GLY H H 1 8.393 0.001 . 1 . . 153 . . 13 GLY H . 51510 1 45 . 1 . 1 13 13 GLY CA C 13 44.885 0.053 . 1 . . 246 . . 13 GLY CA . 51510 1 46 . 1 . 1 13 13 GLY N N 15 110.938 0.025 . 1 . . 154 . . 13 GLY N . 51510 1 47 . 1 . 1 14 14 GLU H H 1 8.120 0.002 . 1 . . 89 . . 14 GLU H . 51510 1 48 . 1 . 1 14 14 GLU CA C 13 55.708 0.049 . 1 . . 317 . . 14 GLU CA . 51510 1 49 . 1 . 1 14 14 GLU CB C 13 28.347 0.036 . 1 . . 316 . . 14 GLU CB . 51510 1 50 . 1 . 1 14 14 GLU N N 15 120.128 0.003 . 1 . . 90 . . 14 GLU N . 51510 1 51 . 1 . 1 15 15 ASN H H 1 8.368 0.002 . 1 . . 31 . . 15 ASN H . 51510 1 52 . 1 . 1 15 15 ASN CA C 13 53.117 0.009 . 1 . . 327 . . 15 ASN CA . 51510 1 53 . 1 . 1 15 15 ASN CB C 13 38.037 0.034 . 1 . . 326 . . 15 ASN CB . 51510 1 54 . 1 . 1 15 15 ASN N N 15 119.723 0.016 . 1 . . 32 . . 15 ASN N . 51510 1 55 . 1 . 1 16 16 LEU H H 1 8.051 0.002 . 1 . . 217 . . 16 LEU H . 51510 1 56 . 1 . 1 16 16 LEU CA C 13 55.169 0.044 . 1 . . 394 . . 16 LEU CA . 51510 1 57 . 1 . 1 16 16 LEU CB C 13 40.918 0.077 . 1 . . 393 . . 16 LEU CB . 51510 1 58 . 1 . 1 16 16 LEU N N 15 122.171 0.01 . 1 . . 218 . . 16 LEU N . 51510 1 59 . 1 . 1 17 17 TYR H H 1 7.952 0.001 . 1 . . 27 . . 17 TYR H . 51510 1 60 . 1 . 1 17 17 TYR CA C 13 58.421 0.061 . 1 . . 307 . . 17 TYR CA . 51510 1 61 . 1 . 1 17 17 TYR CB C 13 37.843 0.017 . 1 . . 306 . . 17 TYR CB . 51510 1 62 . 1 . 1 17 17 TYR N N 15 119.564 0.006 . 1 . . 28 . . 17 TYR N . 51510 1 63 . 1 . 1 18 18 PHE H H 1 7.926 0.002 . 1 . . 77 . . 18 PHE H . 51510 1 64 . 1 . 1 18 18 PHE CA C 13 57.369 0.009 . 1 . . 297 . . 18 PHE CA . 51510 1 65 . 1 . 1 18 18 PHE CB C 13 38.325 0.069 . 1 . . 296 . . 18 PHE CB . 51510 1 66 . 1 . 1 18 18 PHE N N 15 118.488 0.0 . 1 . . 78 . . 18 PHE N . 51510 1 67 . 1 . 1 19 19 GLN H H 1 8.061 0.001 . 1 . . 69 . . 19 GLN H . 51510 1 68 . 1 . 1 19 19 GLN CA C 13 55.928 0.021 . 1 . . 315 . . 19 GLN CA . 51510 1 69 . 1 . 1 19 19 GLN CB C 13 28.028 0.015 . 1 . . 314 . . 19 GLN CB . 51510 1 70 . 1 . 1 19 19 GLN N N 15 120.207 0.006 . 1 . . 70 . . 19 GLN N . 51510 1 71 . 1 . 1 20 20 HIS H H 1 8.271 0.003 . 1 . . 131 . . 20 HIS H . 51510 1 72 . 1 . 1 20 20 HIS CA C 13 54.778 . . 1 . . 273 . . 20 HIS CA . 51510 1 73 . 1 . 1 20 20 HIS CB C 13 27.804 . . 1 . . 272 . . 20 HIS CB . 51510 1 74 . 1 . 1 20 20 HIS N N 15 117.360 0.007 . 1 . . 132 . . 20 HIS N . 51510 1 75 . 1 . 1 56 56 THR H H 1 7.877 0.002 . 1 . . 85 . . 56 THR H . 51510 1 76 . 1 . 1 56 56 THR CA C 13 61.551 0.003 . 1 . . 250 . . 56 THR CA . 51510 1 77 . 1 . 1 56 56 THR CB C 13 69.294 0.045 . 1 . . 251 . . 56 THR CB . 51510 1 78 . 1 . 1 56 56 THR N N 15 114.322 0.026 . 1 . . 86 . . 56 THR N . 51510 1 79 . 1 . 1 57 57 LYS H H 1 8.214 0.001 . 1 . . 151 . . 57 LYS H . 51510 1 80 . 1 . 1 57 57 LYS CA C 13 55.699 0.015 . 1 . . 418 . . 57 LYS CA . 51510 1 81 . 1 . 1 57 57 LYS CB C 13 31.890 0.017 . 1 . . 417 . . 57 LYS CB . 51510 1 82 . 1 . 1 57 57 LYS N N 15 124.306 0.006 . 1 . . 152 . . 57 LYS N . 51510 1 83 . 1 . 1 58 58 LYS H H 1 8.276 0.0 . 1 . . 201 . . 58 LYS H . 51510 1 84 . 1 . 1 58 58 LYS CA C 13 55.922 0.006 . 1 . . 432 . . 58 LYS CA . 51510 1 85 . 1 . 1 58 58 LYS CB C 13 31.885 0.056 . 1 . . 376 . . 58 LYS CB . 51510 1 86 . 1 . 1 58 58 LYS N N 15 123.317 0.012 . 1 . . 202 . . 58 LYS N . 51510 1 87 . 1 . 1 59 59 SER H H 1 8.209 0.002 . 1 . . 191 . . 59 SER H . 51510 1 88 . 1 . 1 59 59 SER CA C 13 57.756 0.001 . 1 . . 270 . . 59 SER CA . 51510 1 89 . 1 . 1 59 59 SER CB C 13 63.436 0.003 . 1 . . 271 . . 59 SER CB . 51510 1 90 . 1 . 1 59 59 SER N N 15 117.055 0.029 . 1 . . 192 . . 59 SER N . 51510 1 91 . 1 . 1 60 60 ASP H H 1 8.228 0.0 . 1 . . 205 . . 60 ASP H . 51510 1 92 . 1 . 1 60 60 ASP CA C 13 52.993 0.021 . 1 . . 378 . . 60 ASP CA . 51510 1 93 . 1 . 1 60 60 ASP CB C 13 39.338 0.045 . 1 . . 377 . . 60 ASP CB . 51510 1 94 . 1 . 1 60 60 ASP N N 15 122.230 0.028 . 1 . . 206 . . 60 ASP N . 51510 1 95 . 1 . 1 66 66 ALA H H 1 8.098 0.0 . 1 . . 83 . . 66 ALA H . 51510 1 96 . 1 . 1 66 66 ALA CA C 13 51.959 0.032 . 1 . . 412 . . 66 ALA CA . 51510 1 97 . 1 . 1 66 66 ALA CB C 13 18.170 0.026 . 1 . . 411 . . 66 ALA CB . 51510 1 98 . 1 . 1 66 66 ALA N N 15 125.334 0.001 . 1 . . 84 . . 66 ALA N . 51510 1 99 . 1 . 1 67 67 VAL H H 1 7.884 0.003 . 1 . . 207 . . 67 VAL H . 51510 1 100 . 1 . 1 67 67 VAL CA C 13 61.916 0.02 . 1 . . 303 . . 67 VAL CA . 51510 1 101 . 1 . 1 67 67 VAL CB C 13 31.516 0.089 . 1 . . 302 . . 67 VAL CB . 51510 1 102 . 1 . 1 67 67 VAL N N 15 119.323 0.014 . 1 . . 208 . . 67 VAL N . 51510 1 103 . 1 . 1 68 68 HIS H H 1 8.394 0.002 . 1 . . 181 . . 68 HIS H . 51510 1 104 . 1 . 1 68 68 HIS CA C 13 54.563 0.025 . 1 . . 364 . . 68 HIS CA . 51510 1 105 . 1 . 1 68 68 HIS CB C 13 28.161 0.008 . 1 . . 363 . . 68 HIS CB . 51510 1 106 . 1 . 1 68 68 HIS N N 15 122.279 0.012 . 1 . . 182 . . 68 HIS N . 51510 1 107 . 1 . 1 69 69 LYS H H 1 8.233 0.002 . 1 . . 187 . . 69 LYS H . 51510 1 108 . 1 . 1 69 69 LYS CA C 13 55.884 0.029 . 1 . . 382 . . 69 LYS CA . 51510 1 109 . 1 . 1 69 69 LYS CB C 13 32.000 0.015 . 1 . . 381 . . 69 LYS CB . 51510 1 110 . 1 . 1 69 69 LYS N N 15 123.373 0.019 . 1 . . 188 . . 69 LYS N . 51510 1 111 . 1 . 1 70 70 LEU H H 1 8.191 0.002 . 1 . . 159 . . 70 LEU H . 51510 1 112 . 1 . 1 70 70 LEU CA C 13 54.514 0.046 . 1 . . 416 . . 70 LEU CA . 51510 1 113 . 1 . 1 70 70 LEU CB C 13 41.180 0.002 . 1 . . 415 . . 70 LEU CB . 51510 1 114 . 1 . 1 70 70 LEU N N 15 124.124 0.014 . 1 . . 160 . . 70 LEU N . 51510 1 115 . 1 . 1 71 71 ALA H H 1 8.178 0.002 . 1 . . 71 . . 71 ALA H . 51510 1 116 . 1 . 1 71 71 ALA CA C 13 51.787 0.026 . 1 . . 423 . . 71 ALA CA . 51510 1 117 . 1 . 1 71 71 ALA CB C 13 18.255 0.036 . 1 . . 421 . . 71 ALA CB . 51510 1 118 . 1 . 1 71 71 ALA N N 15 125.507 0.007 . 1 . . 72 . . 71 ALA N . 51510 1 119 . 1 . 1 72 72 LYS H H 1 8.090 0.003 . 1 . . 239 . . 72 LYS H . 51510 1 120 . 1 . 1 72 72 LYS CA C 13 55.641 0.038 . 1 . . 313 . . 72 LYS CA . 51510 1 121 . 1 . 1 72 72 LYS CB C 13 31.996 0.01 . 1 . . 312 . . 72 LYS CB . 51510 1 122 . 1 . 1 72 72 LYS N N 15 120.646 0.003 . 1 . . 240 . . 72 LYS N . 51510 1 123 . 1 . 1 73 73 SER H H 1 8.140 0.003 . 1 . . 13 . . 73 SER H . 51510 1 124 . 1 . 1 73 73 SER CA C 13 57.539 0.014 . 1 . . 276 . . 73 SER CA . 51510 1 125 . 1 . 1 73 73 SER CB C 13 63.462 0.048 . 1 . . 277 . . 73 SER CB . 51510 1 126 . 1 . 1 73 73 SER N N 15 117.491 0.032 . 1 . . 14 . . 73 SER N . 51510 1 127 . 1 . 1 74 74 ILE H H 1 8.062 0.004 . 1 . . 137 . . 74 ILE H . 51510 1 128 . 1 . 1 74 74 ILE CA C 13 58.142 . . 1 . . 404 . . 74 ILE CA . 51510 1 129 . 1 . 1 74 74 ILE CB C 13 37.427 . . 1 . . 403 . . 74 ILE CB . 51510 1 130 . 1 . 1 74 74 ILE N N 15 124.512 0.04 . 1 . . 138 . . 74 ILE N . 51510 1 131 . 1 . 1 81 81 THR H H 1 8.146 0.001 . 1 . . 73 . . 81 THR H . 51510 1 132 . 1 . 1 81 81 THR CA C 13 61.135 0.011 . 1 . . 298 . . 81 THR CA . 51510 1 133 . 1 . 1 81 81 THR CB C 13 69.226 0.019 . 1 . . 299 . . 81 THR CB . 51510 1 134 . 1 . 1 81 81 THR N N 15 119.047 0.004 . 1 . . 74 . . 81 THR N . 51510 1 135 . 1 . 1 82 82 VAL H H 1 8.136 0.002 . 1 . . 213 . . 82 VAL H . 51510 1 136 . 1 . 1 82 82 VAL CA C 13 61.378 0.014 . 1 . . 392 . . 82 VAL CA . 51510 1 137 . 1 . 1 82 82 VAL CB C 13 31.726 0.038 . 1 . . 391 . . 82 VAL CB . 51510 1 138 . 1 . 1 82 82 VAL N N 15 123.168 0.003 . 1 . . 214 . . 82 VAL N . 51510 1 139 . 1 . 1 83 83 SER H H 1 8.291 0.002 . 1 . . 101 . . 83 SER H . 51510 1 140 . 1 . 1 83 83 SER CA C 13 57.674 0.059 . 1 . . 324 . . 83 SER CA . 51510 1 141 . 1 . 1 83 83 SER CB C 13 63.606 0.005 . 1 . . 325 . . 83 SER CB . 51510 1 142 . 1 . 1 83 83 SER N N 15 120.020 0.012 . 1 . . 102 . . 83 SER N . 51510 1 143 . 1 . 1 84 84 ALA H H 1 8.333 0.001 . 1 . . 39 . . 84 ALA H . 51510 1 144 . 1 . 1 84 84 ALA CA C 13 52.144 0.039 . 1 . . 427 . . 84 ALA CA . 51510 1 145 . 1 . 1 84 84 ALA CB C 13 18.190 0.01 . 1 . . 426 . . 84 ALA CB . 51510 1 146 . 1 . 1 84 84 ALA N N 15 126.610 0.028 . 1 . . 40 . . 84 ALA N . 51510 1 147 . 1 . 1 85 85 ASP H H 1 8.224 0.002 . 1 . . 47 . . 85 ASP H . 51510 1 148 . 1 . 1 85 85 ASP CA C 13 53.079 0.03 . 1 . . 289 . . 85 ASP CA . 51510 1 149 . 1 . 1 85 85 ASP CB C 13 38.851 0.042 . 1 . . 288 . . 85 ASP CB . 51510 1 150 . 1 . 1 85 85 ASP N N 15 118.682 0.007 . 1 . . 48 . . 85 ASP N . 51510 1 151 . 1 . 1 86 86 SER H H 1 8.148 0.002 . 1 . . 241 . . 86 SER H . 51510 1 152 . 1 . 1 86 86 SER CA C 13 58.172 0.013 . 1 . . 268 . . 86 SER CA . 51510 1 153 . 1 . 1 86 86 SER CB C 13 63.423 0.011 . 1 . . 269 . . 86 SER CB . 51510 1 154 . 1 . 1 86 86 SER N N 15 117.029 0.027 . 1 . . 242 . . 86 SER N . 51510 1 155 . 1 . 1 87 87 SER H H 1 8.187 0.001 . 1 . . 211 . . 87 SER H . 51510 1 156 . 1 . 1 87 87 SER CA C 13 58.044 . . 1 . . 274 . . 87 SER CA . 51510 1 157 . 1 . 1 87 87 SER CB C 13 63.364 0.049 . 1 . . 275 . . 87 SER CB . 51510 1 158 . 1 . 1 87 87 SER N N 15 117.541 0.013 . 1 . . 212 . . 87 SER N . 51510 1 159 . 1 . 1 88 88 ALA H H 1 8.105 0.001 . 1 . . 91 . . 88 ALA H . 51510 1 160 . 1 . 1 88 88 ALA CA C 13 52.324 0.027 . 1 . . 405 . . 88 ALA CA . 51510 1 161 . 1 . 1 88 88 ALA CB C 13 18.086 0.008 . 1 . . 406 . . 88 ALA CB . 51510 1 162 . 1 . 1 88 88 ALA N N 15 125.660 0.005 . 1 . . 92 . . 88 ALA N . 51510 1 163 . 1 . 1 89 89 SER H H 1 8.047 0.002 . 1 . . 75 . . 89 SER H . 51510 1 164 . 1 . 1 89 89 SER CA C 13 58.074 0.031 . 1 . . 252 . . 89 SER CA . 51510 1 165 . 1 . 1 89 89 SER CB C 13 63.349 0.027 . 1 . . 253 . . 89 SER CB . 51510 1 166 . 1 . 1 89 89 SER N N 15 114.612 0.023 . 1 . . 76 . . 89 SER N . 51510 1 167 . 1 . 1 90 90 MET H H 1 8.153 0.001 . 1 . . 231 . . 90 MET H . 51510 1 168 . 1 . 1 90 90 MET CA C 13 55.237 0.029 . 1 . . 386 . . 90 MET CA . 51510 1 169 . 1 . 1 90 90 MET CB C 13 31.783 0.059 . 1 . . 385 . . 90 MET CB . 51510 1 170 . 1 . 1 90 90 MET N N 15 122.015 0.004 . 1 . . 232 . . 90 MET N . 51510 1 171 . 1 . 1 91 91 ASN H H 1 8.254 0.002 . 1 . . 41 . . 91 ASN H . 51510 1 172 . 1 . 1 91 91 ASN CA C 13 52.825 0.013 . 1 . . 323 . . 91 ASN CA . 51510 1 173 . 1 . 1 91 91 ASN CB C 13 38.234 0.046 . 1 . . 322 . . 91 ASN CB . 51510 1 174 . 1 . 1 91 91 ASN N N 15 119.555 0.006 . 1 . . 42 . . 91 ASN N . 51510 1 175 . 1 . 1 92 92 SER H H 1 8.173 0.002 . 1 . . 45 . . 92 SER H . 51510 1 176 . 1 . 1 92 92 SER CA C 13 58.351 0.027 . 1 . . 262 . . 92 SER CA . 51510 1 177 . 1 . 1 92 92 SER CB C 13 63.372 0.081 . 1 . . 263 . . 92 SER CB . 51510 1 178 . 1 . 1 92 92 SER N N 15 116.454 0.026 . 1 . . 46 . . 92 SER N . 51510 1 179 . 1 . 1 93 93 GLY H H 1 8.327 0.001 . 1 . . 161 . . 93 GLY H . 51510 1 180 . 1 . 1 93 93 GLY CA C 13 44.811 0.014 . 1 . . 247 . . 93 GLY CA . 51510 1 181 . 1 . 1 93 93 GLY N N 15 110.902 0.025 . 1 . . 162 . . 93 GLY N . 51510 1 182 . 1 . 1 94 94 VAL H H 1 7.745 0.001 . 1 . . 63 . . 94 VAL H . 51510 1 183 . 1 . 1 94 94 VAL CA C 13 61.745 0.017 . 1 . . 305 . . 94 VAL CA . 51510 1 184 . 1 . 1 94 94 VAL CB C 13 31.552 0.064 . 1 . . 304 . . 94 VAL CB . 51510 1 185 . 1 . 1 94 94 VAL N N 15 119.442 0.025 . 1 . . 64 . . 94 VAL N . 51510 1 186 . 1 . 1 95 95 LEU CA C 13 54.476 0.02 . 1 . . 410 . . 95 LEU CA . 51510 1 187 . 1 . 1 95 95 LEU CB C 13 41.112 0.039 . 1 . . 409 . . 95 LEU CB . 51510 1 188 . 1 . 1 96 96 LEU H H 1 8.042 0.002 . 1 . . 167 . . 96 LEU H . 51510 1 189 . 1 . 1 96 96 LEU CA C 13 54.429 0.077 . 1 . . 396 . . 96 LEU CA . 51510 1 190 . 1 . 1 96 96 LEU CB C 13 41.147 0.068 . 1 . . 395 . . 96 LEU CB . 51510 1 191 . 1 . 1 96 96 LEU N N 15 123.685 0.009 . 1 . . 168 . . 96 LEU N . 51510 1 192 . 1 . 1 97 97 VAL H H 1 7.894 0.003 . 1 . . 157 . . 97 VAL H . 51510 1 193 . 1 . 1 97 97 VAL CA C 13 61.223 0.024 . 1 . . 337 . . 97 VAL CA . 51510 1 194 . 1 . 1 97 97 VAL CB C 13 31.729 0.033 . 1 . . 336 . . 97 VAL CB . 51510 1 195 . 1 . 1 97 97 VAL N N 15 121.480 0.018 . 1 . . 158 . . 97 VAL N . 51510 1 196 . 1 . 1 98 98 ARG H H 1 8.286 0.001 . 1 . . 51 . . 98 ARG H . 51510 1 197 . 1 . 1 98 98 ARG CA C 13 53.114 . . 1 . . 425 . . 98 ARG CA . 51510 1 198 . 1 . 1 98 98 ARG CB C 13 29.084 . . 1 . . 424 . . 98 ARG CB . 51510 1 199 . 1 . 1 98 98 ARG N N 15 126.222 0.023 . 1 . . 52 . . 98 ARG N . 51510 1 200 . 1 . 1 103 103 SER H H 1 8.202 0.002 . 1 . . 61 . . 103 SER H . 51510 1 201 . 1 . 1 103 103 SER CA C 13 57.667 0.06 . 1 . . 266 . . 103 SER CA . 51510 1 202 . 1 . 1 103 103 SER CB C 13 63.726 0.02 . 1 . . 267 . . 103 SER CB . 51510 1 203 . 1 . 1 103 103 SER N N 15 116.664 0.012 . 1 . . 62 . . 103 SER N . 51510 1 204 . 1 . 1 104 104 SER H H 1 8.344 0.001 . 1 . . 99 . . 104 SER H . 51510 1 205 . 1 . 1 104 104 SER CA C 13 57.676 0.089 . 1 . . 284 . . 104 SER CA . 51510 1 206 . 1 . 1 104 104 SER CB C 13 63.385 . . 1 . . 285 . . 104 SER CB . 51510 1 207 . 1 . 1 104 104 SER N N 15 118.185 0.003 . 1 . . 100 . . 104 SER N . 51510 1 208 . 1 . 1 105 105 SER H H 1 8.316 0.0 . 1 . . 149 . . 105 SER H . 51510 1 209 . 1 . 1 105 105 SER CA C 13 58.037 0.066 . 1 . . 280 . . 105 SER CA . 51510 1 210 . 1 . 1 105 105 SER CB C 13 63.446 0.044 . 1 . . 281 . . 105 SER CB . 51510 1 211 . 1 . 1 105 105 SER N N 15 118.052 0.013 . 1 . . 150 . . 105 SER N . 51510 1 212 . 1 . 1 106 106 GLY H H 1 8.238 0.001 . 1 . . 169 . . 106 GLY H . 51510 1 213 . 1 . 1 106 106 GLY CA C 13 44.590 0.028 . 1 . . 245 . . 106 GLY CA . 51510 1 214 . 1 . 1 106 106 GLY N N 15 110.866 0.023 . 1 . . 170 . . 106 GLY N . 51510 1 215 . 1 . 1 107 107 THR H H 1 7.916 0.0 . 1 . . 173 . . 107 THR H . 51510 1 216 . 1 . 1 107 107 THR CA C 13 59.247 . . 1 . . 434 . . 107 THR CA . 51510 1 217 . 1 . 1 107 107 THR CB C 13 69.076 . . 1 . . 435 . . 107 THR CB . 51510 1 218 . 1 . 1 107 107 THR N N 15 116.607 0.025 . 1 . . 174 . . 107 THR N . 51510 1 219 . 1 . 1 109 109 MET H H 1 8.324 0.003 . 1 . . 209 . . 109 MET H . 51510 1 220 . 1 . 1 109 109 MET CA C 13 55.257 0.053 . 1 . . 343 . . 109 MET CA . 51510 1 221 . 1 . 1 109 109 MET CB C 13 32.086 0.032 . 1 . . 342 . . 109 MET CB . 51510 1 222 . 1 . 1 109 109 MET N N 15 121.018 0.001 . 1 . . 210 . . 109 MET N . 51510 1 223 . 1 . 1 110 110 LEU H H 1 8.095 0.002 . 1 . . 221 . . 110 LEU H . 51510 1 224 . 1 . 1 110 110 LEU CA C 13 54.312 0.052 . 1 . . 390 . . 110 LEU CA . 51510 1 225 . 1 . 1 110 110 LEU CB C 13 41.124 0.034 . 1 . . 389 . . 110 LEU CB . 51510 1 226 . 1 . 1 110 110 LEU N N 15 123.116 0.001 . 1 . . 222 . . 110 LEU N . 51510 1 227 . 1 . 1 111 111 ALA H H 1 8.118 0.003 . 1 . . 103 . . 111 ALA H . 51510 1 228 . 1 . 1 111 111 ALA CA C 13 52.088 0.015 . 1 . . 414 . . 111 ALA CA . 51510 1 229 . 1 . 1 111 111 ALA CB C 13 18.231 0.018 . 1 . . 413 . . 111 ALA CB . 51510 1 230 . 1 . 1 111 111 ALA N N 15 124.762 0.023 . 1 . . 104 . . 111 ALA N . 51510 1 231 . 1 . 1 112 112 GLY H H 1 8.219 0.002 . 1 . . 215 . . 112 GLY H . 51510 1 232 . 1 . 1 112 112 GLY CA C 13 44.812 0.003 . 1 . . 243 . . 112 GLY CA . 51510 1 233 . 1 . 1 112 112 GLY N N 15 108.078 0.02 . 1 . . 216 . . 112 GLY N . 51510 1 234 . 1 . 1 113 113 VAL H H 1 7.800 0.001 . 1 . . 127 . . 113 VAL H . 51510 1 235 . 1 . 1 113 113 VAL CA C 13 61.800 . . 1 . . 301 . . 113 VAL CA . 51510 1 236 . 1 . 1 113 113 VAL CB C 13 31.563 . . 1 . . 300 . . 113 VAL CB . 51510 1 237 . 1 . 1 113 113 VAL N N 15 119.056 0.008 . 1 . . 128 . . 113 VAL N . 51510 1 238 . 1 . 1 115 115 GLU H H 1 8.282 0.002 . 1 . . 229 . . 115 GLU H . 51510 1 239 . 1 . 1 115 115 GLU CA C 13 55.701 0.034 . 1 . . 374 . . 115 GLU CA . 51510 1 240 . 1 . 1 115 115 GLU CB C 13 29.499 . . 1 . . 373 . . 115 GLU CB . 51510 1 241 . 1 . 1 115 115 GLU N N 15 122.957 0.023 . 1 . . 230 . . 115 GLU N . 51510 1 242 . 1 . 1 116 116 TYR H H 1 7.921 0.001 . 1 . . 109 . . 116 TYR H . 51510 1 243 . 1 . 1 116 116 TYR CA C 13 57.203 0.074 . 1 . . 309 . . 116 TYR CA . 51510 1 244 . 1 . 1 116 116 TYR CB C 13 37.942 0.081 . 1 . . 308 . . 116 TYR CB . 51510 1 245 . 1 . 1 116 116 TYR N N 15 119.942 0.006 . 1 . . 110 . . 116 TYR N . 51510 1 246 . 1 . 1 117 117 GLU H H 1 7.867 0.004 . 1 . . 199 . . 117 GLU H . 51510 1 247 . 1 . 1 117 117 GLU CA C 13 54.573 0.035 . 1 . . 335 . . 117 GLU CA . 51510 1 248 . 1 . 1 117 117 GLU CB C 13 28.408 0.018 . 1 . . 334 . . 117 GLU CB . 51510 1 249 . 1 . 1 117 117 GLU N N 15 121.142 0.032 . 1 . . 200 . . 117 GLU N . 51510 1 250 . 1 . 1 118 118 LEU H H 1 8.052 0.002 . 1 . . 139 . . 118 LEU H . 51510 1 251 . 1 . 1 118 118 LEU CA C 13 52.455 . . 1 . . 402 . . 118 LEU CA . 51510 1 252 . 1 . 1 118 118 LEU CB C 13 40.374 . . 1 . . 401 . . 118 LEU CB . 51510 1 253 . 1 . 1 118 118 LEU N N 15 124.382 0.024 . 1 . . 140 . . 118 LEU N . 51510 1 254 . 1 . 1 120 120 GLU H H 1 8.199 0.002 . 1 . . 5 . . 120 GLU H . 51510 1 255 . 1 . 1 120 120 GLU CA C 13 55.079 0.051 . 1 . . 319 . . 120 GLU CA . 51510 1 256 . 1 . 1 120 120 GLU CB C 13 28.199 0.057 . 1 . . 318 . . 120 GLU CB . 51510 1 257 . 1 . 1 120 120 GLU N N 15 119.869 0.014 . 1 . . 6 . . 120 GLU N . 51510 1 258 . 1 . 1 121 121 ASP H H 1 8.300 0.001 . 1 . . 147 . . 121 ASP H . 51510 1 259 . 1 . 1 121 121 ASP CA C 13 50.983 . . 1 . . 372 . . 121 ASP CA . 51510 1 260 . 1 . 1 121 121 ASP CB C 13 38.399 . . 1 . . 371 . . 121 ASP CB . 51510 1 261 . 1 . 1 121 121 ASP N N 15 121.721 0.023 . 1 . . 148 . . 121 ASP N . 51510 1 262 . 1 . 1 123 123 ARG H H 1 7.970 0.004 . 1 . . 111 . . 123 ARG H . 51510 1 263 . 1 . 1 123 123 ARG CA C 13 55.968 . . 1 . . 399 . . 123 ARG CA . 51510 1 264 . 1 . 1 123 123 ARG CB C 13 29.949 . . 1 . . 400 . . 123 ARG CB . 51510 1 265 . 1 . 1 123 123 ARG N N 15 124.716 0.003 . 1 . . 112 . . 123 ARG N . 51510 1 stop_ save_