################################### # 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 53400 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shifts of tau321-391 fragment' _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 '3D HNCACB' . . . 53400 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 . . 53400 1 2 $software_2 . . 53400 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 4 4 SER CA C 13 58.608 0.000 . . . . . . . 324 S CA . 53400 1 2 . 1 . 1 4 4 SER CB C 13 63.893 0.000 . . . . . . . 324 S CB . 53400 1 3 . 1 . 1 5 5 LEU H H 1 8.335 0.001 . . . . . . . 325 L H . 53400 1 4 . 1 . 1 5 5 LEU CA C 13 55.398 0.007 . . . . . . . 325 L CA . 53400 1 5 . 1 . 1 5 5 LEU CB C 13 42.228 0.010 . . . . . . . 325 L CB . 53400 1 6 . 1 . 1 5 5 LEU N N 15 123.762 0.013 . . . . . . . 325 L N . 53400 1 7 . 1 . 1 6 6 GLY H H 1 8.314 0.002 . . . . . . . 326 G H . 53400 1 8 . 1 . 1 6 6 GLY CA C 13 45.314 0.000 . . . . . . . 326 G CA . 53400 1 9 . 1 . 1 6 6 GLY N N 15 108.778 0.003 . . . . . . . 326 G N . 53400 1 10 . 1 . 1 7 7 ASN H H 1 8.254 0.000 . . . . . . . 327 N H . 53400 1 11 . 1 . 1 7 7 ASN CA C 13 53.150 0.000 . . . . . . . 327 N CA . 53400 1 12 . 1 . 1 7 7 ASN CB C 13 31.241 0.000 . . . . . . . 327 N CB . 53400 1 13 . 1 . 1 7 7 ASN N N 15 118.626 0.000 . . . . . . . 327 N N . 53400 1 14 . 1 . 1 8 8 ILE H H 1 7.965 0.002 . . . . . . . 328 I H . 53400 1 15 . 1 . 1 8 8 ILE CA C 13 61.643 0.000 . . . . . . . 328 I CA . 53400 1 16 . 1 . 1 8 8 ILE CB C 13 38.687 0.000 . . . . . . . 328 I CB . 53400 1 17 . 1 . 1 8 8 ILE N N 15 120.290 0.014 . . . . . . . 328 I N . 53400 1 18 . 1 . 1 10 10 HIS CA C 13 56.319 0.000 . . . . . . . 330 H CA . 53400 1 19 . 1 . 1 10 10 HIS CB C 13 31.166 0.000 . . . . . . . 330 H CB . 53400 1 20 . 1 . 1 11 11 LYS H H 1 8.279 0.000 . . . . . . . 331 K H . 53400 1 21 . 1 . 1 11 11 LYS CA C 13 54.046 0.000 . . . . . . . 331 K CA . 53400 1 22 . 1 . 1 11 11 LYS CB C 13 32.675 0.000 . . . . . . . 331 K CB . 53400 1 23 . 1 . 1 11 11 LYS N N 15 124.463 0.012 . . . . . . . 331 K N . 53400 1 24 . 1 . 1 13 13 GLY H H 1 8.602 0.000 . . . . . . . 333 G H . 53400 1 25 . 1 . 1 13 13 GLY CA C 13 45.513 0.000 . . . . . . . 333 G CA . 53400 1 26 . 1 . 1 13 13 GLY N N 15 110.400 0.000 . . . . . . . 333 G N . 53400 1 27 . 1 . 1 14 14 GLY H H 1 8.316 0.000 . . . . . . . 334 G H . 53400 1 28 . 1 . 1 14 14 GLY CA C 13 45.314 0.000 . . . . . . . 334 G CA . 53400 1 29 . 1 . 1 14 14 GLY N N 15 108.782 0.000 . . . . . . . 334 G N . 53400 1 30 . 1 . 1 15 15 GLY H H 1 8.342 0.000 . . . . . . . 335 G H . 53400 1 31 . 1 . 1 15 15 GLY CA C 13 45.259 0.092 . . . . . . . 335 G CA . 53400 1 32 . 1 . 1 15 15 GLY N N 15 108.782 0.000 . . . . . . . 335 G N . 53400 1 33 . 1 . 1 16 16 GLN H H 1 8.256 0.000 . . . . . . . 336 Q H . 53400 1 34 . 1 . 1 16 16 GLN CA C 13 55.864 0.001 . . . . . . . 336 Q CA . 53400 1 35 . 1 . 1 16 16 GLN CB C 13 29.538 0.018 . . . . . . . 336 Q CB . 53400 1 36 . 1 . 1 16 16 GLN N N 15 119.966 0.005 . . . . . . . 336 Q N . 53400 1 37 . 1 . 1 17 17 VAL H H 1 8.185 0.001 . . . . . . . 337 V H . 53400 1 38 . 1 . 1 17 17 VAL CA C 13 62.344 0.006 . . . . . . . 337 V CA . 53400 1 39 . 1 . 1 17 17 VAL CB C 13 32.897 0.008 . . . . . . . 337 V CB . 53400 1 40 . 1 . 1 17 17 VAL N N 15 121.584 0.016 . . . . . . . 337 V N . 53400 1 41 . 1 . 1 18 18 GLU H H 1 8.482 0.000 . . . . . . . 338 E H . 53400 1 42 . 1 . 1 18 18 GLU CA C 13 56.412 0.006 . . . . . . . 338 E CA . 53400 1 43 . 1 . 1 18 18 GLU CB C 13 30.565 0.011 . . . . . . . 338 E CB . 53400 1 44 . 1 . 1 18 18 GLU N N 15 125.363 0.005 . . . . . . . 338 E N . 53400 1 45 . 1 . 1 19 19 VAL H H 1 8.303 0.001 . . . . . . . 339 V H . 53400 1 46 . 1 . 1 19 19 VAL CA C 13 62.353 0.007 . . . . . . . 339 V CA . 53400 1 47 . 1 . 1 19 19 VAL CB C 13 32.791 0.000 . . . . . . . 339 V CB . 53400 1 48 . 1 . 1 19 19 VAL N N 15 123.250 0.009 . . . . . . . 339 V N . 53400 1 49 . 1 . 1 20 20 LYS H H 1 8.468 0.000 . . . . . . . 340 K H . 53400 1 50 . 1 . 1 20 20 LYS CA C 13 56.353 0.010 . . . . . . . 340 K CA . 53400 1 51 . 1 . 1 20 20 LYS CB C 13 33.005 0.046 . . . . . . . 340 K CB . 53400 1 52 . 1 . 1 20 20 LYS N N 15 126.088 0.032 . . . . . . . 340 K N . 53400 1 53 . 1 . 1 21 21 SER H H 1 8.345 0.002 . . . . . . . 341 S H . 53400 1 54 . 1 . 1 21 21 SER CA C 13 58.344 0.010 . . . . . . . 341 S CA . 53400 1 55 . 1 . 1 21 21 SER CB C 13 63.913 0.001 . . . . . . . 341 S CB . 53400 1 56 . 1 . 1 21 21 SER N N 15 117.503 0.011 . . . . . . . 341 S N . 53400 1 57 . 1 . 1 22 22 GLU H H 1 8.521 0.000 . . . . . . . 342 E H . 53400 1 58 . 1 . 1 22 22 GLU CA C 13 56.553 0.000 . . . . . . . 342 E CA . 53400 1 59 . 1 . 1 22 22 GLU CB C 13 30.358 0.006 . . . . . . . 342 E CB . 53400 1 60 . 1 . 1 22 22 GLU N N 15 123.424 0.020 . . . . . . . 342 E N . 53400 1 61 . 1 . 1 23 23 LYS H H 1 8.302 0.000 . . . . . . . 343 K H . 53400 1 62 . 1 . 1 23 23 LYS CA C 13 56.436 0.000 . . . . . . . 343 K CA . 53400 1 63 . 1 . 1 23 23 LYS CB C 13 32.879 0.001 . . . . . . . 343 K CB . 53400 1 64 . 1 . 1 23 23 LYS N N 15 122.091 0.004 . . . . . . . 343 K N . 53400 1 65 . 1 . 1 24 24 LEU H H 1 8.195 0.000 . . . . . . . 344 L H . 53400 1 66 . 1 . 1 24 24 LEU CA C 13 55.148 0.016 . . . . . . . 344 L CA . 53400 1 67 . 1 . 1 24 24 LEU CB C 13 42.448 0.023 . . . . . . . 344 L CB . 53400 1 68 . 1 . 1 24 24 LEU N N 15 123.552 0.018 . . . . . . . 344 L N . 53400 1 69 . 1 . 1 25 25 ASP H H 1 8.290 0.001 . . . . . . . 345 D H . 53400 1 70 . 1 . 1 25 25 ASP CA C 13 54.047 0.019 . . . . . . . 345 D CA . 53400 1 71 . 1 . 1 25 25 ASP CB C 13 41.418 0.027 . . . . . . . 345 D CB . 53400 1 72 . 1 . 1 25 25 ASP N N 15 121.243 0.005 . . . . . . . 345 D N . 53400 1 73 . 1 . 1 26 26 PHE H H 1 8.159 0.000 . . . . . . . 346 F H . 53400 1 74 . 1 . 1 26 26 PHE CA C 13 58.463 0.035 . . . . . . . 346 F CA . 53400 1 75 . 1 . 1 26 26 PHE CB C 13 39.326 0.000 . . . . . . . 346 F CB . 53400 1 76 . 1 . 1 26 26 PHE N N 15 120.976 0.010 . . . . . . . 346 F N . 53400 1 77 . 1 . 1 27 27 LYS H H 1 8.197 0.000 . . . . . . . 347 K H . 53400 1 78 . 1 . 1 27 27 LYS CA C 13 56.981 0.000 . . . . . . . 347 K CA . 53400 1 79 . 1 . 1 27 27 LYS CB C 13 39.375 0.000 . . . . . . . 347 K CB . 53400 1 80 . 1 . 1 27 27 LYS N N 15 121.760 0.001 . . . . . . . 347 K N . 53400 1 81 . 1 . 1 28 28 ASP H H 1 8.143 0.000 . . . . . . . 348 D H . 53400 1 82 . 1 . 1 28 28 ASP CA C 13 54.728 0.013 . . . . . . . 348 D CA . 53400 1 83 . 1 . 1 28 28 ASP CB C 13 41.184 0.012 . . . . . . . 348 D CB . 53400 1 84 . 1 . 1 28 28 ASP N N 15 120.032 0.002 . . . . . . . 348 D N . 53400 1 85 . 1 . 1 29 29 ARG H H 1 8.046 0.000 . . . . . . . 349 R H . 53400 1 86 . 1 . 1 29 29 ARG CA C 13 56.433 0.002 . . . . . . . 349 R CA . 53400 1 87 . 1 . 1 29 29 ARG CB C 13 30.748 0.003 . . . . . . . 349 R CB . 53400 1 88 . 1 . 1 29 29 ARG N N 15 120.708 0.003 . . . . . . . 349 R N . 53400 1 89 . 1 . 1 30 30 VAL H H 1 8.110 0.000 . . . . . . . 350 V H . 53400 1 90 . 1 . 1 30 30 VAL CA C 13 62.869 0.001 . . . . . . . 350 V CA . 53400 1 91 . 1 . 1 30 30 VAL CB C 13 32.534 0.003 . . . . . . . 350 V CB . 53400 1 92 . 1 . 1 30 30 VAL N N 15 121.175 0.002 . . . . . . . 350 V N . 53400 1 93 . 1 . 1 31 31 GLN H H 1 8.451 0.000 . . . . . . . 351 Q H . 53400 1 94 . 1 . 1 31 31 GLN CA C 13 56.155 0.000 . . . . . . . 351 Q CA . 53400 1 95 . 1 . 1 31 31 GLN CB C 13 29.398 0.000 . . . . . . . 351 Q CB . 53400 1 96 . 1 . 1 31 31 GLN N N 15 123.958 0.005 . . . . . . . 351 Q N . 53400 1 97 . 1 . 1 32 32 SER H H 1 8.298 0.001 . . . . . . . 352 S H . 53400 1 98 . 1 . 1 32 32 SER CA C 13 58.649 0.000 . . . . . . . 352 S CA . 53400 1 99 . 1 . 1 32 32 SER CB C 13 63.854 0.000 . . . . . . . 352 S CB . 53400 1 100 . 1 . 1 32 32 SER N N 15 117.276 0.029 . . . . . . . 352 S N . 53400 1 101 . 1 . 1 33 33 LYS H H 1 8.341 0.000 . . . . . . . 353 K H . 53400 1 102 . 1 . 1 33 33 LYS CA C 13 48.647 10.997 . . . . . . . 353 K CA . 53400 1 103 . 1 . 1 33 33 LYS CB C 13 32.995 0.000 . . . . . . . 353 K CB . 53400 1 104 . 1 . 1 33 33 LYS N N 15 123.250 0.000 . . . . . . . 353 K N . 53400 1 105 . 1 . 1 34 34 ILE H H 1 8.117 0.001 . . . . . . . 354 I H . 53400 1 106 . 1 . 1 34 34 ILE CA C 13 61.654 0.007 . . . . . . . 354 I CA . 53400 1 107 . 1 . 1 34 34 ILE CB C 13 38.506 0.002 . . . . . . . 354 I CB . 53400 1 108 . 1 . 1 34 34 ILE N N 15 121.967 0.005 . . . . . . . 354 I N . 53400 1 109 . 1 . 1 35 35 GLY H H 1 8.486 0.000 . . . . . . . 355 G H . 53400 1 110 . 1 . 1 35 35 GLY CA C 13 45.249 0.002 . . . . . . . 355 G CA . 53400 1 111 . 1 . 1 35 35 GLY N N 15 113.270 0.003 . . . . . . . 355 G N . 53400 1 112 . 1 . 1 36 36 SER H H 1 8.139 0.000 . . . . . . . 356 S H . 53400 1 113 . 1 . 1 36 36 SER CA C 13 58.495 0.001 . . . . . . . 356 S CA . 53400 1 114 . 1 . 1 36 36 SER CB C 13 63.972 0.004 . . . . . . . 356 S CB . 53400 1 115 . 1 . 1 36 36 SER N N 15 115.490 0.011 . . . . . . . 356 S N . 53400 1 116 . 1 . 1 37 37 LEU H H 1 8.375 0.000 . . . . . . . 357 L H . 53400 1 117 . 1 . 1 37 37 LEU CA C 13 55.298 0.009 . . . . . . . 357 L CA . 53400 1 118 . 1 . 1 37 37 LEU CB C 13 42.120 0.015 . . . . . . . 357 L CB . 53400 1 119 . 1 . 1 37 37 LEU N N 15 123.895 0.003 . . . . . . . 357 L N . 53400 1 120 . 1 . 1 38 38 ASP H H 1 8.185 0.001 . . . . . . . 358 D H . 53400 1 121 . 1 . 1 38 38 ASP CA C 13 54.748 0.046 . . . . . . . 358 D CA . 53400 1 122 . 1 . 1 38 38 ASP CB C 13 41.180 0.005 . . . . . . . 358 D CB . 53400 1 123 . 1 . 1 38 38 ASP N N 15 120.179 0.004 . . . . . . . 358 D N . 53400 1 124 . 1 . 1 39 39 ASN H H 1 8.265 0.000 . . . . . . . 359 N H . 53400 1 125 . 1 . 1 39 39 ASN CA C 13 53.486 0.034 . . . . . . . 359 N CA . 53400 1 126 . 1 . 1 39 39 ASN CB C 13 38.781 0.000 . . . . . . . 359 N CB . 53400 1 127 . 1 . 1 39 39 ASN N N 15 118.433 0.004 . . . . . . . 359 N N . 53400 1 128 . 1 . 1 40 40 ILE H H 1 8.020 0.000 . . . . . . . 360 I H . 53400 1 129 . 1 . 1 40 40 ILE CA C 13 61.532 0.000 . . . . . . . 360 I CA . 53400 1 130 . 1 . 1 40 40 ILE CB C 13 38.727 0.007 . . . . . . . 360 I CB . 53400 1 131 . 1 . 1 40 40 ILE N N 15 120.491 0.004 . . . . . . . 360 I N . 53400 1 132 . 1 . 1 41 41 THR H H 1 8.206 0.000 . . . . . . . 361 T H . 53400 1 133 . 1 . 1 41 41 THR CA C 13 61.985 0.000 . . . . . . . 361 T CA . 53400 1 134 . 1 . 1 41 41 THR CB C 13 69.703 0.000 . . . . . . . 361 T CB . 53400 1 135 . 1 . 1 41 41 THR N N 15 118.023 0.004 . . . . . . . 361 T N . 53400 1 136 . 1 . 1 42 42 HIS H H 1 8.277 0.000 . . . . . . . 362 H H . 53400 1 137 . 1 . 1 42 42 HIS CA C 13 56.344 0.021 . . . . . . . 362 H CA . 53400 1 138 . 1 . 1 42 42 HIS CB C 13 30.944 0.012 . . . . . . . 362 H CB . 53400 1 139 . 1 . 1 42 42 HIS N N 15 123.048 0.000 . . . . . . . 362 H N . 53400 1 140 . 1 . 1 43 43 VAL H H 1 8.076 0.000 . . . . . . . 363 V H . 53400 1 141 . 1 . 1 43 43 VAL CA C 13 59.750 0.000 . . . . . . . 363 V CA . 53400 1 142 . 1 . 1 43 43 VAL CB C 13 32.760 0.000 . . . . . . . 363 V CB . 53400 1 143 . 1 . 1 43 43 VAL N N 15 123.796 0.006 . . . . . . . 363 V N . 53400 1 144 . 1 . 1 44 44 PRO CA C 13 63.558 0.000 . . . . . . . 364 P CA . 53400 1 145 . 1 . 1 44 44 PRO CB C 13 32.048 0.000 . . . . . . . 364 P CB . 53400 1 146 . 1 . 1 45 45 GLY H H 1 8.579 0.006 . . . . . . . 365 G H . 53400 1 147 . 1 . 1 45 45 GLY CA C 13 45.383 0.000 . . . . . . . 365 G CA . 53400 1 148 . 1 . 1 45 45 GLY N N 15 110.262 0.010 . . . . . . . 365 G N . 53400 1 149 . 1 . 1 46 46 GLY H H 1 8.316 0.000 . . . . . . . 366 G H . 53400 1 150 . 1 . 1 46 46 GLY CA C 13 45.314 0.000 . . . . . . . 366 G CA . 53400 1 151 . 1 . 1 46 46 GLY N N 15 108.782 0.000 . . . . . . . 366 G N . 53400 1 152 . 1 . 1 47 47 GLY H H 1 8.354 0.000 . . . . . . . 367 G H . 53400 1 153 . 1 . 1 47 47 GLY CA C 13 45.379 0.000 . . . . . . . 367 G CA . 53400 1 154 . 1 . 1 47 47 GLY N N 15 108.744 0.000 . . . . . . . 367 G N . 53400 1 155 . 1 . 1 48 48 ASN CA C 13 62.390 0.000 . . . . . . . 368 N CA . 53400 1 156 . 1 . 1 48 48 ASN CB C 13 38.902 0.000 . . . . . . . 368 N CB . 53400 1 157 . 1 . 1 49 49 LYS H H 1 8.263 0.001 . . . . . . . 369 K H . 53400 1 158 . 1 . 1 49 49 LYS CA C 13 56.459 0.000 . . . . . . . 369 K CA . 53400 1 159 . 1 . 1 49 49 LYS CB C 13 32.956 0.000 . . . . . . . 369 K CB . 53400 1 160 . 1 . 1 49 49 LYS N N 15 121.736 0.040 . . . . . . . 369 K N . 53400 1 161 . 1 . 1 50 50 LYS H H 1 8.321 0.000 . . . . . . . 370 K H . 53400 1 162 . 1 . 1 50 50 LYS CA C 13 56.434 0.003 . . . . . . . 370 K CA . 53400 1 163 . 1 . 1 50 50 LYS CB C 13 32.965 0.017 . . . . . . . 370 K CB . 53400 1 164 . 1 . 1 50 50 LYS N N 15 123.149 0.000 . . . . . . . 370 K N . 53400 1 165 . 1 . 1 51 51 ILE H H 1 8.181 0.000 . . . . . . . 371 I H . 53400 1 166 . 1 . 1 51 51 ILE CA C 13 61.178 0.002 . . . . . . . 371 I CA . 53400 1 167 . 1 . 1 51 51 ILE CB C 13 38.674 0.004 . . . . . . . 371 I CB . 53400 1 168 . 1 . 1 51 51 ILE N N 15 123.014 0.030 . . . . . . . 371 I N . 53400 1 169 . 1 . 1 52 52 GLU H H 1 8.534 0.000 . . . . . . . 372 E H . 53400 1 170 . 1 . 1 52 52 GLU CA C 13 56.440 0.003 . . . . . . . 372 E CA . 53400 1 171 . 1 . 1 52 52 GLU CB C 13 30.439 0.025 . . . . . . . 372 E CB . 53400 1 172 . 1 . 1 52 52 GLU N N 15 125.656 0.002 . . . . . . . 372 E N . 53400 1 173 . 1 . 1 53 53 THR H H 1 8.203 0.000 . . . . . . . 373 T H . 53400 1 174 . 1 . 1 53 53 THR CA C 13 62.475 0.000 . . . . . . . 373 T CA . 53400 1 175 . 1 . 1 53 53 THR CB C 13 69.646 0.000 . . . . . . . 373 T CB . 53400 1 176 . 1 . 1 53 53 THR N N 15 115.514 0.003 . . . . . . . 373 T N . 53400 1 177 . 1 . 1 55 55 LYS H H 1 8.142 0.000 . . . . . . . 375 K H . 53400 1 178 . 1 . 1 55 55 LYS CA C 13 56.221 0.015 . . . . . . . 375 K CA . 53400 1 179 . 1 . 1 55 55 LYS CB C 13 33.008 0.006 . . . . . . . 375 K CB . 53400 1 180 . 1 . 1 55 55 LYS N N 15 122.373 0.164 . . . . . . . 375 K N . 53400 1 181 . 1 . 1 56 56 LEU H H 1 8.246 0.001 . . . . . . . 376 L H . 53400 1 182 . 1 . 1 56 56 LEU CA C 13 55.303 0.013 . . . . . . . 376 L CA . 53400 1 183 . 1 . 1 56 56 LEU CB C 13 42.342 0.008 . . . . . . . 376 L CB . 53400 1 184 . 1 . 1 56 56 LEU N N 15 123.163 0.051 . . . . . . . 376 L N . 53400 1 185 . 1 . 1 57 57 THR H H 1 8.015 0.000 . . . . . . . 377 T H . 53400 1 186 . 1 . 1 57 57 THR CA C 13 61.739 0.044 . . . . . . . 377 T CA . 53400 1 187 . 1 . 1 57 57 THR CB C 13 69.961 0.004 . . . . . . . 377 T CB . 53400 1 188 . 1 . 1 57 57 THR N N 15 114.533 0.008 . . . . . . . 377 T N . 53400 1 189 . 1 . 1 58 58 PHE H H 1 8.219 0.000 . . . . . . . 378 F H . 53400 1 190 . 1 . 1 58 58 PHE CA C 13 57.941 0.006 . . . . . . . 378 F CA . 53400 1 191 . 1 . 1 58 58 PHE CB C 13 39.611 0.014 . . . . . . . 378 F CB . 53400 1 192 . 1 . 1 58 58 PHE N N 15 122.626 0.024 . . . . . . . 378 F N . 53400 1 193 . 1 . 1 59 59 ARG H H 1 8.145 0.000 . . . . . . . 379 R H . 53400 1 194 . 1 . 1 59 59 ARG CA C 13 56.190 0.000 . . . . . . . 379 R CA . 53400 1 195 . 1 . 1 59 59 ARG CB C 13 30.962 0.000 . . . . . . . 379 R CB . 53400 1 196 . 1 . 1 59 59 ARG N N 15 122.865 0.045 . . . . . . . 379 R N . 53400 1 197 . 1 . 1 60 60 GLU H H 1 8.378 0.001 . . . . . . . 380 E H . 53400 1 198 . 1 . 1 60 60 GLU CA C 13 56.852 0.060 . . . . . . . 380 E CA . 53400 1 199 . 1 . 1 60 60 GLU CB C 13 30.312 0.058 . . . . . . . 380 E CB . 53400 1 200 . 1 . 1 60 60 GLU N N 15 122.010 0.002 . . . . . . . 380 E N . 53400 1 201 . 1 . 1 61 61 ASN H H 1 8.445 0.001 . . . . . . . 381 N H . 53400 1 202 . 1 . 1 61 61 ASN CA C 13 53.396 0.000 . . . . . . . 381 N CA . 53400 1 203 . 1 . 1 61 61 ASN CB C 13 38.782 0.015 . . . . . . . 381 N CB . 53400 1 204 . 1 . 1 61 61 ASN N N 15 119.686 0.009 . . . . . . . 381 N N . 53400 1 205 . 1 . 1 62 62 ALA H H 1 8.208 0.001 . . . . . . . 382 A H . 53400 1 206 . 1 . 1 62 62 ALA CA C 13 52.954 0.000 . . . . . . . 382 A CA . 53400 1 207 . 1 . 1 62 62 ALA CB C 13 19.102 0.003 . . . . . . . 382 A CB . 53400 1 208 . 1 . 1 62 62 ALA N N 15 124.333 0.002 . . . . . . . 382 A N . 53400 1 209 . 1 . 1 63 63 LYS H H 1 8.164 0.001 . . . . . . . 383 K H . 53400 1 210 . 1 . 1 63 63 LYS CA C 13 56.408 0.010 . . . . . . . 383 K CA . 53400 1 211 . 1 . 1 63 63 LYS CB C 13 32.964 0.016 . . . . . . . 383 K CB . 53400 1 212 . 1 . 1 63 63 LYS N N 15 120.106 0.003 . . . . . . . 383 K N . 53400 1 213 . 1 . 1 64 64 ALA H H 1 8.186 0.001 . . . . . . . 384 A H . 53400 1 214 . 1 . 1 64 64 ALA CA C 13 52.579 0.006 . . . . . . . 384 A CA . 53400 1 215 . 1 . 1 64 64 ALA CB C 13 19.242 0.000 . . . . . . . 384 A CB . 53400 1 216 . 1 . 1 64 64 ALA N N 15 125.035 0.132 . . . . . . . 384 A N . 53400 1 217 . 1 . 1 65 65 LYS H H 1 8.299 0.001 . . . . . . . 385 K H . 53400 1 218 . 1 . 1 65 65 LYS CA C 13 56.464 0.000 . . . . . . . 385 K CA . 53400 1 219 . 1 . 1 65 65 LYS CB C 13 33.005 0.003 . . . . . . . 385 K CB . 53400 1 220 . 1 . 1 65 65 LYS N N 15 120.862 0.007 . . . . . . . 385 K N . 53400 1 221 . 1 . 1 66 66 THR H H 1 8.125 0.000 . . . . . . . 386 T H . 53400 1 222 . 1 . 1 66 66 THR CA C 13 61.657 0.054 . . . . . . . 386 T CA . 53400 1 223 . 1 . 1 66 66 THR CB C 13 69.832 0.003 . . . . . . . 386 T CB . 53400 1 224 . 1 . 1 66 66 THR N N 15 114.606 0.001 . . . . . . . 386 T N . 53400 1 225 . 1 . 1 67 67 ASP H H 1 8.294 0.001 . . . . . . . 387 D H . 53400 1 226 . 1 . 1 67 67 ASP CA C 13 54.268 0.019 . . . . . . . 387 D CA . 53400 1 227 . 1 . 1 67 67 ASP CB C 13 41.227 0.101 . . . . . . . 387 D CB . 53400 1 228 . 1 . 1 67 67 ASP N N 15 122.544 0.069 . . . . . . . 387 D N . 53400 1 229 . 1 . 1 68 68 HIS H H 1 8.292 0.001 . . . . . . . 388 H H . 53400 1 230 . 1 . 1 68 68 HIS CA C 13 56.479 0.024 . . . . . . . 388 H CA . 53400 1 231 . 1 . 1 68 68 HIS CB C 13 30.257 0.099 . . . . . . . 388 H CB . 53400 1 232 . 1 . 1 68 68 HIS N N 15 119.963 0.072 . . . . . . . 388 H N . 53400 1 233 . 1 . 1 69 69 GLY H H 1 8.394 0.000 . . . . . . . 389 G H . 53400 1 234 . 1 . 1 69 69 GLY CA C 13 45.334 0.010 . . . . . . . 389 G CA . 53400 1 235 . 1 . 1 69 69 GLY N N 15 110.251 0.006 . . . . . . . 389 G N . 53400 1 236 . 1 . 1 70 70 ALA H H 1 8.124 0.000 . . . . . . . 390 A H . 53400 1 237 . 1 . 1 70 70 ALA CA C 13 52.495 0.005 . . . . . . . 390 A CA . 53400 1 238 . 1 . 1 70 70 ALA CB C 13 19.599 0.003 . . . . . . . 390 A CB . 53400 1 239 . 1 . 1 70 70 ALA N N 15 124.264 0.002 . . . . . . . 390 A N . 53400 1 240 . 1 . 1 71 71 GLU H H 1 7.969 0.000 . . . . . . . 391 E H . 53400 1 241 . 1 . 1 71 71 GLU CA C 13 58.075 0.000 . . . . . . . 391 E CA . 53400 1 242 . 1 . 1 71 71 GLU CB C 13 31.195 0.000 . . . . . . . 391 E CB . 53400 1 243 . 1 . 1 71 71 GLU N N 15 125.290 0.009 . . . . . . . 391 E N . 53400 1 stop_ save_