################################### # 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 53117 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* h3A' _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' . . . 53117 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 . . 53117 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 1 1 ALA H H 1 8.689 0.000 . 1 . . . . . 330 ALA H . 53117 1 2 . 1 . 1 1 1 ALA N N 15 125.268 0.000 . 1 . . . . . 330 ALA N . 53117 1 3 . 1 . 1 2 2 ALA H H 1 8.582 0.000 . 1 . . . . . 331 ALA H . 53117 1 4 . 1 . 1 2 2 ALA N N 15 124.335 0.000 . 1 . . . . . 331 ALA N . 53117 1 5 . 1 . 1 3 3 GLY H H 1 8.567 0.000 . 1 . . . . . 332 GLY H . 53117 1 6 . 1 . 1 3 3 GLY N N 15 108.980 0.000 . 1 . . . . . 332 GLY N . 53117 1 7 . 1 . 1 4 4 SER H H 1 8.338 0.000 . 1 . . . . . 333 SER H . 53117 1 8 . 1 . 1 4 4 SER N N 15 115.773 0.000 . 1 . . . . . 333 SER N . 53117 1 9 . 1 . 1 6 6 GLY H H 1 8.548 0.000 . 1 . . . . . 335 GLY H . 53117 1 10 . 1 . 1 6 6 GLY N N 15 111.051 0.000 . 1 . . . . . 335 GLY N . 53117 1 11 . 1 . 1 7 7 THR H H 1 8.167 0.000 . 1 . . . . . 336 THR H . 53117 1 12 . 1 . 1 7 7 THR N N 15 114.449 0.000 . 1 . . . . . 336 THR N . 53117 1 13 . 1 . 1 8 8 LEU H H 1 8.427 0.000 . 1 . . . . . 337 LEU H . 53117 1 14 . 1 . 1 8 8 LEU N N 15 125.132 0.000 . 1 . . . . . 337 LEU N . 53117 1 15 . 1 . 1 9 9 GLU H H 1 8.471 0.000 . 1 . . . . . 338 GLU H . 53117 1 16 . 1 . 1 9 9 GLU N N 15 122.707 0.000 . 1 . . . . . 338 GLU N . 53117 1 17 . 1 . 1 10 10 LEU H H 1 8.492 0.000 . 1 . . . . . 339 LEU H . 53117 1 18 . 1 . 1 10 10 LEU N N 15 125.512 0.000 . 1 . . . . . 339 LEU N . 53117 1 19 . 1 . 1 12 12 SER H H 1 8.579 0.000 . 1 . . . . . 341 SER H . 53117 1 20 . 1 . 1 12 12 SER N N 15 116.164 0.000 . 1 . . . . . 341 SER N . 53117 1 21 . 1 . 1 13 13 THR H H 1 8.324 0.000 . 1 . . . . . 342 THR H . 53117 1 22 . 1 . 1 13 13 THR N N 15 116.524 0.000 . 1 . . . . . 342 THR N . 53117 1 23 . 1 . 1 14 14 LEU H H 1 8.221 0.000 . 1 . . . . . 343 LEU H . 53117 1 24 . 1 . 1 14 14 LEU N N 15 124.014 0.000 . 1 . . . . . 343 LEU N . 53117 1 25 . 1 . 1 15 15 SER H H 1 8.350 0.000 . 1 . . . . . 344 SER H . 53117 1 26 . 1 . 1 15 15 SER N N 15 116.715 0.000 . 1 . . . . . 344 SER N . 53117 1 27 . 1 . 1 16 16 LEU H H 1 8.239 0.000 . 1 . . . . . 345 LEU H . 53117 1 28 . 1 . 1 16 16 LEU N N 15 124.117 0.000 . 1 . . . . . 345 LEU N . 53117 1 29 . 1 . 1 17 17 TYR H H 1 8.175 0.000 . 1 . . . . . 346 TYR H . 53117 1 30 . 1 . 1 17 17 TYR N N 15 120.591 0.000 . 1 . . . . . 346 TYR N . 53117 1 31 . 1 . 1 18 18 LYS H H 1 8.239 0.000 . 1 . . . . . 347 LYS H . 53117 1 32 . 1 . 1 19 19 SER H H 1 8.448 0.000 . 1 . . . . . 348 SER H . 53117 1 33 . 1 . 1 19 19 SER N N 15 117.518 0.000 . 1 . . . . . 348 SER N . 53117 1 34 . 1 . 1 20 20 GLY H H 1 8.572 0.000 . 1 . . . . . 349 GLY H . 53117 1 35 . 1 . 1 20 20 GLY N N 15 111.534 0.000 . 1 . . . . . 349 GLY N . 53117 1 36 . 1 . 1 21 21 ALA H H 1 8.209 0.000 . 1 . . . . . 350 ALA H . 53117 1 37 . 1 . 1 21 21 ALA N N 15 123.812 0.000 . 1 . . . . . 350 ALA N . 53117 1 38 . 1 . 1 22 22 LEU H H 1 8.392 0.000 . 1 . . . . . 351 LEU H . 53117 1 39 . 1 . 1 22 22 LEU N N 15 121.224 0.000 . 1 . . . . . 351 LEU N . 53117 1 40 . 1 . 1 23 23 ASP H H 1 8.317 0.000 . 1 . . . . . 352 ASP H . 53117 1 41 . 1 . 1 23 23 ASP N N 15 121.151 0.000 . 1 . . . . . 352 ASP N . 53117 1 42 . 1 . 1 24 24 GLU H H 1 8.462 0.000 . 1 . . . . . 353 GLU H . 53117 1 43 . 1 . 1 24 24 GLU N N 15 122.355 0.000 . 1 . . . . . 353 GLU N . 53117 1 44 . 1 . 1 25 25 ALA H H 1 8.330 0.000 . 1 . . . . . 354 ALA H . 53117 1 45 . 1 . 1 25 25 ALA N N 15 123.706 0.000 . 1 . . . . . 354 ALA N . 53117 1 46 . 1 . 1 26 26 ALA H H 1 8.101 0.000 . 1 . . . . . 355 ALA H . 53117 1 47 . 1 . 1 26 26 ALA N N 15 122.239 0.000 . 1 . . . . . 355 ALA N . 53117 1 48 . 1 . 1 27 27 ALA H H 1 8.123 0.000 . 1 . . . . . 356 ALA H . 53117 1 49 . 1 . 1 27 27 ALA N N 15 122.221 0.000 . 1 . . . . . 356 ALA N . 53117 1 50 . 1 . 1 28 28 TYR H H 1 8.049 0.000 . 1 . . . . . 357 TYR H . 53117 1 51 . 1 . 1 28 28 TYR N N 15 118.849 0.000 . 1 . . . . . 357 TYR N . 53117 1 52 . 1 . 1 29 29 GLN H H 1 8.102 0.000 . 1 . . . . . 358 GLN H . 53117 1 53 . 1 . 1 29 29 GLN N N 15 121.503 0.000 . 1 . . . . . 358 GLN N . 53117 1 54 . 1 . 1 30 30 SER H H 1 8.303 0.000 . 1 . . . . . 359 SER H . 53117 1 55 . 1 . 1 30 30 SER N N 15 116.734 0.000 . 1 . . . . . 359 SER N . 53117 1 56 . 1 . 1 31 31 ARG H H 1 8.354 0.000 . 1 . . . . . 360 ARG H . 53117 1 57 . 1 . 1 31 31 ARG N N 15 122.822 0.000 . 1 . . . . . 360 ARG N . 53117 1 58 . 1 . 1 32 32 ASP H H 1 8.334 0.000 . 1 . . . . . 361 ASP H . 53117 1 59 . 1 . 1 32 32 ASP N N 15 120.654 0.000 . 1 . . . . . 361 ASP N . 53117 1 60 . 1 . 1 33 33 TYR H H 1 8.011 0.000 . 1 . . . . . 362 TYR H . 53117 1 61 . 1 . 1 33 33 TYR N N 15 120.369 0.000 . 1 . . . . . 362 TYR N . 53117 1 62 . 1 . 1 34 34 TYR H H 1 8.009 0.000 . 1 . . . . . 363 TYR H . 53117 1 63 . 1 . 1 34 34 TYR N N 15 120.038 0.000 . 1 . . . . . 363 TYR N . 53117 1 64 . 1 . 1 35 35 ASN H H 1 8.021 0.000 . 1 . . . . . 364 ASN H . 53117 1 65 . 1 . 1 35 35 ASN N N 15 119.421 0.000 . 1 . . . . . 364 ASN N . 53117 1 66 . 1 . 1 36 36 PHE H H 1 8.050 0.000 . 1 . . . . . 365 PHE H . 53117 1 67 . 1 . 1 36 36 PHE N N 15 121.366 0.000 . 1 . . . . . 365 PHE N . 53117 1 68 . 1 . 1 38 38 LEU H H 1 8.355 0.000 . 1 . . . . . 367 LEU H . 53117 1 69 . 1 . 1 38 38 LEU N N 15 122.357 0.000 . 1 . . . . . 367 LEU N . 53117 1 70 . 1 . 1 39 39 ALA H H 1 8.361 0.000 . 1 . . . . . 368 ALA H . 53117 1 71 . 1 . 1 39 39 ALA N N 15 124.960 0.000 . 1 . . . . . 368 ALA N . 53117 1 72 . 1 . 1 40 40 LEU H H 1 8.263 0.000 . 1 . . . . . 369 LEU H . 53117 1 73 . 1 . 1 40 40 LEU N N 15 121.696 0.000 . 1 . . . . . 369 LEU N . 53117 1 74 . 1 . 1 41 41 ALA H H 1 8.362 0.000 . 1 . . . . . 370 ALA H . 53117 1 75 . 1 . 1 41 41 ALA N N 15 125.113 0.000 . 1 . . . . . 370 ALA N . 53117 1 76 . 1 . 1 42 42 GLY H H 1 8.215 0.000 . 1 . . . . . 371 GLY H . 53117 1 77 . 1 . 1 42 42 GLY N N 15 108.596 0.000 . 1 . . . . . 371 GLY N . 53117 1 78 . 1 . 1 51 51 HIS H H 1 8.429 0.000 . 1 . . . . . 380 HIS H . 53117 1 79 . 1 . 1 51 51 HIS N N 15 121.458 0.000 . 1 . . . . . 380 HIS N . 53117 1 80 . 1 . 1 53 53 HIS H H 1 8.843 0.000 . 1 . . . . . 382 HIS H . 53117 1 81 . 1 . 1 53 53 HIS N N 15 119.855 0.000 . 1 . . . . . 382 HIS N . 53117 1 82 . 1 . 1 54 54 ALA H H 1 8.290 0.000 . 1 . . . . . 383 ALA H . 53117 1 83 . 1 . 1 54 54 ALA N N 15 125.005 0.000 . 1 . . . . . 383 ALA N . 53117 1 84 . 1 . 1 55 55 ARG H H 1 8.516 0.000 . 1 . . . . . 384 ARG H . 53117 1 85 . 1 . 1 55 55 ARG N N 15 120.903 0.000 . 1 . . . . . 384 ARG N . 53117 1 86 . 1 . 1 56 56 ILE H H 1 8.259 0.000 . 1 . . . . . 385 ILE H . 53117 1 87 . 1 . 1 56 56 ILE N N 15 122.736 0.000 . 1 . . . . . 385 ILE N . 53117 1 88 . 1 . 1 57 57 LYS H H 1 8.495 0.000 . 1 . . . . . 386 LYS H . 53117 1 89 . 1 . 1 57 57 LYS N N 15 126.392 0.000 . 1 . . . . . 386 LYS N . 53117 1 90 . 1 . 1 58 58 LEU H H 1 8.427 0.000 . 1 . . . . . 387 LEU H . 53117 1 91 . 1 . 1 59 59 GLU H H 1 8.552 0.000 . 1 . . . . . 388 GLU H . 53117 1 92 . 1 . 1 59 59 GLU N N 15 122.196 0.000 . 1 . . . . . 388 GLU N . 53117 1 93 . 1 . 1 60 60 ASN H H 1 8.619 0.000 . 1 . . . . . 389 ASN H . 53117 1 94 . 1 . 1 60 60 ASN N N 15 120.584 0.000 . 1 . . . . . 389 ASN N . 53117 1 95 . 1 . 1 62 62 LEU H H 1 8.224 0.000 . 1 . . . . . 391 LEU H . 53117 1 96 . 1 . 1 62 62 LEU N N 15 120.015 0.000 . 1 . . . . . 391 LEU N . 53117 1 97 . 1 . 1 63 63 ASP H H 1 8.028 0.000 . 1 . . . . . 392 ASP H . 53117 1 98 . 1 . 1 63 63 ASP N N 15 119.985 0.000 . 1 . . . . . 392 ASP N . 53117 1 99 . 1 . 1 64 64 TYR H H 1 8.088 0.000 . 1 . . . . . 393 TYR H . 53117 1 100 . 1 . 1 64 64 TYR N N 15 121.222 0.000 . 1 . . . . . 393 TYR N . 53117 1 101 . 1 . 1 65 65 GLY H H 1 8.460 0.000 . 1 . . . . . 394 GLY H . 53117 1 102 . 1 . 1 65 65 GLY N N 15 109.802 0.000 . 1 . . . . . 394 GLY N . 53117 1 103 . 1 . 1 66 66 SER H H 1 8.231 0.000 . 1 . . . . . 395 SER H . 53117 1 104 . 1 . 1 66 66 SER N N 15 116.158 0.000 . 1 . . . . . 395 SER N . 53117 1 105 . 1 . 1 67 67 ALA H H 1 8.542 0.000 . 1 . . . . . 396 ALA H . 53117 1 106 . 1 . 1 67 67 ALA N N 15 125.925 0.000 . 1 . . . . . 396 ALA N . 53117 1 107 . 1 . 1 68 68 TRP H H 1 8.169 0.000 . 1 . . . . . 397 TRP H . 53117 1 108 . 1 . 1 68 68 TRP N N 15 120.045 0.000 . 1 . . . . . 397 TRP N . 53117 1 109 . 1 . 1 69 69 ALA H H 1 7.939 0.000 . 1 . . . . . 398 ALA H . 53117 1 110 . 1 . 1 69 69 ALA N N 15 124.083 0.000 . 1 . . . . . 398 ALA N . 53117 1 111 . 1 . 1 70 70 ALA H H 1 8.009 0.000 . 1 . . . . . 399 ALA H . 53117 1 112 . 1 . 1 70 70 ALA N N 15 122.074 0.000 . 1 . . . . . 399 ALA N . 53117 1 113 . 1 . 1 71 71 ALA H H 1 7.991 0.000 . 1 . . . . . 400 ALA H . 53117 1 114 . 1 . 1 71 71 ALA N N 15 122.040 0.000 . 1 . . . . . 400 ALA N . 53117 1 115 . 1 . 1 73 73 ALA H H 1 7.982 0.000 . 1 . . . . . 402 ALA H . 53117 1 116 . 1 . 1 73 73 ALA N N 15 121.457 0.000 . 1 . . . . . 402 ALA N . 53117 1 117 . 1 . 1 74 74 GLN H H 1 8.050 0.000 . 1 . . . . . 403 GLN H . 53117 1 118 . 1 . 1 74 74 GLN N N 15 117.987 0.000 . 1 . . . . . 403 GLN N . 53117 1 119 . 1 . 1 75 75 CYS H H 1 8.165 0.000 . 1 . . . . . 404 CYS H . 53117 1 120 . 1 . 1 75 75 CYS N N 15 119.718 0.000 . 1 . . . . . 404 CYS N . 53117 1 121 . 1 . 1 76 76 ARG H H 1 8.332 0.000 . 1 . . . . . 405 ARG H . 53117 1 122 . 1 . 1 76 76 ARG N N 15 123.186 0.000 . 1 . . . . . 405 ARG N . 53117 1 123 . 1 . 1 77 77 TYR H H 1 8.335 0.000 . 1 . . . . . 406 TYR H . 53117 1 124 . 1 . 1 77 77 TYR N N 15 120.837 0.000 . 1 . . . . . 406 TYR N . 53117 1 125 . 1 . 1 78 78 GLY H H 1 8.383 0.000 . 1 . . . . . 407 GLY H . 53117 1 126 . 1 . 1 78 78 GLY N N 15 110.355 0.000 . 1 . . . . . 407 GLY N . 53117 1 127 . 1 . 1 79 79 ASP H H 1 8.264 0.000 . 1 . . . . . 408 ASP H . 53117 1 128 . 1 . 1 79 79 ASP N N 15 120.715 0.000 . 1 . . . . . 408 ASP N . 53117 1 129 . 1 . 1 80 80 LEU H H 1 8.327 0.000 . 1 . . . . . 409 LEU H . 53117 1 130 . 1 . 1 80 80 LEU N N 15 122.781 0.000 . 1 . . . . . 409 LEU N . 53117 1 131 . 1 . 1 81 81 ALA H H 1 8.316 0.000 . 1 . . . . . 410 ALA H . 53117 1 132 . 1 . 1 81 81 ALA N N 15 123.377 0.000 . 1 . . . . . 410 ALA N . 53117 1 133 . 1 . 1 82 82 SER H H 1 8.125 0.000 . 1 . . . . . 411 SER H . 53117 1 134 . 1 . 1 82 82 SER N N 15 114.003 0.000 . 1 . . . . . 411 SER N . 53117 1 135 . 1 . 1 83 83 LEU H H 1 8.095 0.000 . 1 . . . . . 412 LEU H . 53117 1 136 . 1 . 1 83 83 LEU N N 15 123.498 0.000 . 1 . . . . . 412 LEU N . 53117 1 137 . 1 . 1 84 84 HIS H H 1 8.227 0.000 . 1 . . . . . 413 HIS H . 53117 1 138 . 1 . 1 84 84 HIS N N 15 118.953 0.000 . 1 . . . . . 413 HIS N . 53117 1 139 . 1 . 1 85 85 GLY H H 1 8.344 0.000 . 1 . . . . . 414 GLY H . 53117 1 140 . 1 . 1 85 85 GLY N N 15 109.994 0.000 . 1 . . . . . 414 GLY N . 53117 1 141 . 1 . 1 86 86 ALA H H 1 8.350 0.000 . 1 . . . . . 415 ALA H . 53117 1 142 . 1 . 1 86 86 ALA N N 15 124.011 0.000 . 1 . . . . . 415 ALA N . 53117 1 143 . 1 . 1 87 87 GLY H H 1 8.507 0.000 . 1 . . . . . 416 GLY H . 53117 1 144 . 1 . 1 87 87 GLY N N 15 108.385 0.000 . 1 . . . . . 416 GLY N . 53117 1 145 . 1 . 1 88 88 ALA H H 1 8.203 0.000 . 1 . . . . . 417 ALA H . 53117 1 146 . 1 . 1 88 88 ALA N N 15 123.956 0.000 . 1 . . . . . 417 ALA N . 53117 1 147 . 1 . 1 89 89 ALA H H 1 8.393 0.000 . 1 . . . . . 418 ALA H . 53117 1 148 . 1 . 1 89 89 ALA N N 15 123.270 0.000 . 1 . . . . . 418 ALA N . 53117 1 149 . 1 . 1 90 90 GLY H H 1 8.254 0.000 . 1 . . . . . 419 GLY H . 53117 1 150 . 1 . 1 90 90 GLY N N 15 108.239 0.000 . 1 . . . . . 419 GLY N . 53117 1 151 . 1 . 1 92 92 GLY H H 1 8.713 0.000 . 1 . . . . . 421 GLY H . 53117 1 152 . 1 . 1 92 92 GLY N N 15 110.196 0.000 . 1 . . . . . 421 GLY N . 53117 1 153 . 1 . 1 93 93 SER H H 1 8.338 0.000 . 1 . . . . . 422 SER H . 53117 1 154 . 1 . 1 93 93 SER N N 15 115.773 0.000 . 1 . . . . . 422 SER N . 53117 1 155 . 1 . 1 94 94 GLY H H 1 8.606 0.000 . 1 . . . . . 423 GLY H . 53117 1 156 . 1 . 1 94 94 GLY N N 15 111.028 0.000 . 1 . . . . . 423 GLY N . 53117 1 157 . 1 . 1 95 95 SER H H 1 8.306 0.000 . 1 . . . . . 424 SER H . 53117 1 158 . 1 . 1 95 95 SER N N 15 117.078 0.000 . 1 . . . . . 424 SER N . 53117 1 159 . 1 . 1 97 97 SER H H 1 8.496 0.000 . 1 . . . . . 426 SER H . 53117 1 160 . 1 . 1 97 97 SER N N 15 116.290 0.000 . 1 . . . . . 426 SER N . 53117 1 161 . 1 . 1 98 98 ALA H H 1 8.375 0.000 . 1 . . . . . 427 ALA H . 53117 1 162 . 1 . 1 98 98 ALA N N 15 126.017 0.000 . 1 . . . . . 427 ALA N . 53117 1 163 . 1 . 1 99 99 ALA H H 1 8.337 0.000 . 1 . . . . . 428 ALA H . 53117 1 164 . 1 . 1 99 99 ALA N N 15 123.432 0.000 . 1 . . . . . 428 ALA N . 53117 1 165 . 1 . 1 100 100 ALA H H 1 8.382 0.000 . 1 . . . . . 429 ALA H . 53117 1 166 . 1 . 1 100 100 ALA N N 15 123.614 0.000 . 1 . . . . . 429 ALA N . 53117 1 167 . 1 . 1 101 101 SER H H 1 8.404 0.000 . 1 . . . . . 430 SER H . 53117 1 168 . 1 . 1 101 101 SER N N 15 115.257 0.000 . 1 . . . . . 430 SER N . 53117 1 169 . 1 . 1 102 102 SER H H 1 8.467 0.000 . 1 . . . . . 431 SER H . 53117 1 170 . 1 . 1 102 102 SER N N 15 118.151 0.000 . 1 . . . . . 431 SER N . 53117 1 171 . 1 . 1 104 104 ALA H H 1 8.445 0.000 . 1 . . . . . 433 ALA H . 53117 1 172 . 1 . 1 104 104 ALA N N 15 126.569 0.000 . 1 . . . . . 433 ALA N . 53117 1 173 . 1 . 1 105 105 ALA H H 1 8.332 0.000 . 1 . . . . . 434 ALA H . 53117 1 174 . 1 . 1 105 105 ALA N N 15 123.186 0.000 . 1 . . . . . 434 ALA N . 53117 1 175 . 1 . 1 106 106 THR H H 1 8.193 0.000 . 1 . . . . . 435 THR H . 53117 1 176 . 1 . 1 106 106 THR N N 15 114.363 0.000 . 1 . . . . . 435 THR N . 53117 1 177 . 1 . 1 107 107 LEU H H 1 8.340 0.000 . 1 . . . . . 436 LEU H . 53117 1 178 . 1 . 1 107 107 LEU N N 15 125.161 0.000 . 1 . . . . . 436 LEU N . 53117 1 179 . 1 . 1 108 108 ALA H H 1 8.427 0.000 . 1 . . . . . 437 ALA H . 53117 1 180 . 1 . 1 108 108 ALA N N 15 125.397 0.000 . 1 . . . . . 437 ALA N . 53117 1 181 . 1 . 1 109 109 THR H H 1 8.199 0.000 . 1 . . . . . 438 THR H . 53117 1 182 . 1 . 1 109 109 THR N N 15 113.690 0.000 . 1 . . . . . 438 THR N . 53117 1 183 . 1 . 1 110 110 ALA H H 1 8.443 0.000 . 1 . . . . . 439 ALA H . 53117 1 184 . 1 . 1 110 110 ALA N N 15 126.458 0.000 . 1 . . . . . 439 ALA N . 53117 1 185 . 1 . 1 111 111 GLU H H 1 8.498 0.000 . 1 . . . . . 440 GLU H . 53117 1 186 . 1 . 1 111 111 GLU N N 15 120.425 0.000 . 1 . . . . . 440 GLU N . 53117 1 187 . 1 . 1 112 112 GLU H H 1 8.522 0.000 . 1 . . . . . 441 GLU H . 53117 1 188 . 1 . 1 112 112 GLU N N 15 122.281 0.000 . 1 . . . . . 441 GLU N . 53117 1 189 . 1 . 1 113 113 GLY H H 1 8.556 0.000 . 1 . . . . . 442 GLY H . 53117 1 190 . 1 . 1 113 113 GLY N N 15 110.012 0.000 . 1 . . . . . 442 GLY N . 53117 1 191 . 1 . 1 114 114 GLN H H 1 8.196 0.000 . 1 . . . . . 443 GLN H . 53117 1 192 . 1 . 1 114 114 GLN N N 15 119.793 0.000 . 1 . . . . . 443 GLN N . 53117 1 193 . 1 . 1 115 115 LEU H H 1 8.315 0.000 . 1 . . . . . 444 LEU H . 53117 1 194 . 1 . 1 115 115 LEU N N 15 123.468 0.000 . 1 . . . . . 444 LEU N . 53117 1 195 . 1 . 1 116 116 TYR H H 1 8.326 0.000 . 1 . . . . . 445 TYR H . 53117 1 196 . 1 . 1 116 116 TYR N N 15 120.446 0.000 . 1 . . . . . 445 TYR N . 53117 1 197 . 1 . 1 117 117 GLY H H 1 8.226 0.000 . 1 . . . . . 446 GLY H . 53117 1 198 . 1 . 1 117 117 GLY N N 15 110.482 0.000 . 1 . . . . . 446 GLY N . 53117 1 stop_ save_