################################### # 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 53118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* L436P' _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' . . . 53118 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 . . 53118 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 8.690 0.000 . 1 . . . . . 330 ALA H . 53118 1 2 . 1 . 1 1 1 ALA N N 15 125.263 0.000 . 1 . . . . . 330 ALA N . 53118 1 3 . 1 . 1 2 2 ALA H H 1 8.583 0.000 . 1 . . . . . 331 ALA H . 53118 1 4 . 1 . 1 2 2 ALA N N 15 124.336 0.000 . 1 . . . . . 331 ALA N . 53118 1 5 . 1 . 1 3 3 GLY H H 1 8.568 0.000 . 1 . . . . . 332 GLY H . 53118 1 6 . 1 . 1 3 3 GLY N N 15 108.978 0.000 . 1 . . . . . 332 GLY N . 53118 1 7 . 1 . 1 4 4 SER H H 1 8.352 0.000 . 1 . . . . . 333 SER H . 53118 1 8 . 1 . 1 4 4 SER N N 15 115.786 0.000 . 1 . . . . . 333 SER N . 53118 1 9 . 1 . 1 5 5 SER H H 1 8.634 0.000 . 1 . . . . . 334 SER H . 53118 1 10 . 1 . 1 5 5 SER N N 15 118.055 0.000 . 1 . . . . . 334 SER N . 53118 1 11 . 1 . 1 6 6 GLY H H 1 8.549 0.000 . 1 . . . . . 335 GLY H . 53118 1 12 . 1 . 1 6 6 GLY N N 15 111.053 0.000 . 1 . . . . . 335 GLY N . 53118 1 13 . 1 . 1 7 7 THR H H 1 8.168 0.000 . 1 . . . . . 336 THR H . 53118 1 14 . 1 . 1 7 7 THR N N 15 114.448 0.000 . 1 . . . . . 336 THR N . 53118 1 15 . 1 . 1 8 8 LEU H H 1 8.428 0.000 . 1 . . . . . 337 LEU H . 53118 1 16 . 1 . 1 8 8 LEU N N 15 125.129 0.000 . 1 . . . . . 337 LEU N . 53118 1 17 . 1 . 1 9 9 GLU H H 1 8.473 0.000 . 1 . . . . . 338 GLU H . 53118 1 18 . 1 . 1 9 9 GLU N N 15 122.709 0.000 . 1 . . . . . 338 GLU N . 53118 1 19 . 1 . 1 10 10 LEU H H 1 8.493 0.000 . 1 . . . . . 339 LEU H . 53118 1 20 . 1 . 1 10 10 LEU N N 15 125.509 0.000 . 1 . . . . . 339 LEU N . 53118 1 21 . 1 . 1 12 12 SER H H 1 8.581 0.000 . 1 . . . . . 341 SER H . 53118 1 22 . 1 . 1 12 12 SER N N 15 116.165 0.000 . 1 . . . . . 341 SER N . 53118 1 23 . 1 . 1 13 13 THR H H 1 8.326 0.000 . 1 . . . . . 342 THR H . 53118 1 24 . 1 . 1 13 13 THR N N 15 116.519 0.000 . 1 . . . . . 342 THR N . 53118 1 25 . 1 . 1 14 14 LEU H H 1 8.224 0.000 . 1 . . . . . 343 LEU H . 53118 1 26 . 1 . 1 14 14 LEU N N 15 123.974 0.000 . 1 . . . . . 343 LEU N . 53118 1 27 . 1 . 1 15 15 SER H H 1 8.351 0.000 . 1 . . . . . 344 SER H . 53118 1 28 . 1 . 1 15 15 SER N N 15 116.713 0.000 . 1 . . . . . 344 SER N . 53118 1 29 . 1 . 1 16 16 LEU H H 1 8.241 0.000 . 1 . . . . . 345 LEU H . 53118 1 30 . 1 . 1 16 16 LEU N N 15 124.111 0.000 . 1 . . . . . 345 LEU N . 53118 1 31 . 1 . 1 17 17 TYR H H 1 8.177 0.000 . 1 . . . . . 346 TYR H . 53118 1 32 . 1 . 1 17 17 TYR N N 15 120.583 0.000 . 1 . . . . . 346 TYR N . 53118 1 33 . 1 . 1 18 18 LYS H H 1 8.241 0.000 . 1 . . . . . 347 LYS H . 53118 1 34 . 1 . 1 18 18 LYS N N 15 124.111 0.000 . 1 . . . . . 347 LYS N . 53118 1 35 . 1 . 1 19 19 SER H H 1 8.449 0.000 . 1 . . . . . 348 SER H . 53118 1 36 . 1 . 1 19 19 SER N N 15 117.518 0.000 . 1 . . . . . 348 SER N . 53118 1 37 . 1 . 1 20 20 GLY H H 1 8.572 0.000 . 1 . . . . . 349 GLY H . 53118 1 38 . 1 . 1 20 20 GLY N N 15 111.531 0.000 . 1 . . . . . 349 GLY N . 53118 1 39 . 1 . 1 21 21 ALA H H 1 8.210 0.000 . 1 . . . . . 350 ALA H . 53118 1 40 . 1 . 1 21 21 ALA N N 15 123.809 0.000 . 1 . . . . . 350 ALA N . 53118 1 41 . 1 . 1 22 22 LEU H H 1 8.393 0.000 . 1 . . . . . 351 LEU H . 53118 1 42 . 1 . 1 22 22 LEU N N 15 121.218 0.000 . 1 . . . . . 351 LEU N . 53118 1 43 . 1 . 1 23 23 ASP H H 1 8.318 0.000 . 1 . . . . . 352 ASP H . 53118 1 44 . 1 . 1 23 23 ASP N N 15 121.147 0.000 . 1 . . . . . 352 ASP N . 53118 1 45 . 1 . 1 24 24 GLU H H 1 8.464 0.000 . 1 . . . . . 353 GLU H . 53118 1 46 . 1 . 1 24 24 GLU N N 15 122.351 0.000 . 1 . . . . . 353 GLU N . 53118 1 47 . 1 . 1 25 25 ALA H H 1 8.331 0.000 . 1 . . . . . 354 ALA H . 53118 1 48 . 1 . 1 25 25 ALA N N 15 123.699 0.000 . 1 . . . . . 354 ALA N . 53118 1 49 . 1 . 1 26 26 ALA H H 1 8.094 0.000 . 1 . . . . . 355 ALA H . 53118 1 50 . 1 . 1 26 26 ALA N N 15 122.242 0.000 . 1 . . . . . 355 ALA N . 53118 1 51 . 1 . 1 27 27 ALA H H 1 8.127 0.000 . 1 . . . . . 356 ALA H . 53118 1 52 . 1 . 1 27 27 ALA N N 15 122.224 0.000 . 1 . . . . . 356 ALA N . 53118 1 53 . 1 . 1 28 28 TYR H H 1 8.050 0.000 . 1 . . . . . 357 TYR H . 53118 1 54 . 1 . 1 28 28 TYR N N 15 118.839 0.000 . 1 . . . . . 357 TYR N . 53118 1 55 . 1 . 1 29 29 GLN H H 1 8.104 0.000 . 1 . . . . . 358 GLN H . 53118 1 56 . 1 . 1 29 29 GLN N N 15 121.489 0.000 . 1 . . . . . 358 GLN N . 53118 1 57 . 1 . 1 30 30 SER H H 1 8.304 0.000 . 1 . . . . . 359 SER H . 53118 1 58 . 1 . 1 30 30 SER N N 15 116.730 0.000 . 1 . . . . . 359 SER N . 53118 1 59 . 1 . 1 31 31 ARG H H 1 8.358 0.000 . 1 . . . . . 360 ARG H . 53118 1 60 . 1 . 1 31 31 ARG N N 15 122.812 0.000 . 1 . . . . . 360 ARG N . 53118 1 61 . 1 . 1 32 32 ASP H H 1 8.333 0.000 . 1 . . . . . 361 ASP H . 53118 1 62 . 1 . 1 32 32 ASP N N 15 120.660 0.000 . 1 . . . . . 361 ASP N . 53118 1 63 . 1 . 1 33 33 TYR H H 1 8.012 0.000 . 1 . . . . . 362 TYR H . 53118 1 64 . 1 . 1 33 33 TYR N N 15 120.361 0.000 . 1 . . . . . 362 TYR N . 53118 1 65 . 1 . 1 34 34 TYR H H 1 8.009 0.000 . 1 . . . . . 363 TYR H . 53118 1 66 . 1 . 1 34 34 TYR N N 15 120.007 0.000 . 1 . . . . . 363 TYR N . 53118 1 67 . 1 . 1 35 35 ASN H H 1 8.023 0.000 . 1 . . . . . 364 ASN H . 53118 1 68 . 1 . 1 35 35 ASN N N 15 119.409 0.000 . 1 . . . . . 364 ASN N . 53118 1 69 . 1 . 1 36 36 PHE H H 1 8.051 0.000 . 1 . . . . . 365 PHE H . 53118 1 70 . 1 . 1 36 36 PHE N N 15 121.358 0.000 . 1 . . . . . 365 PHE N . 53118 1 71 . 1 . 1 38 38 LEU H H 1 8.353 0.000 . 1 . . . . . 367 LEU H . 53118 1 72 . 1 . 1 38 38 LEU N N 15 122.346 0.000 . 1 . . . . . 367 LEU N . 53118 1 73 . 1 . 1 39 39 ALA H H 1 8.361 0.000 . 1 . . . . . 368 ALA H . 53118 1 74 . 1 . 1 39 39 ALA N N 15 124.937 0.000 . 1 . . . . . 368 ALA N . 53118 1 75 . 1 . 1 40 40 LEU H H 1 8.261 0.000 . 1 . . . . . 369 LEU H . 53118 1 76 . 1 . 1 40 40 LEU N N 15 121.669 0.000 . 1 . . . . . 369 LEU N . 53118 1 77 . 1 . 1 41 41 ALA H H 1 8.362 0.000 . 1 . . . . . 370 ALA H . 53118 1 78 . 1 . 1 41 41 ALA N N 15 125.062 0.000 . 1 . . . . . 370 ALA N . 53118 1 79 . 1 . 1 42 42 GLY H H 1 8.213 0.000 . 1 . . . . . 371 GLY H . 53118 1 80 . 1 . 1 42 42 GLY N N 15 108.583 0.000 . 1 . . . . . 371 GLY N . 53118 1 81 . 1 . 1 51 51 HIS H H 1 8.426 0.000 . 1 . . . . . 380 HIS H . 53118 1 82 . 1 . 1 51 51 HIS N N 15 121.441 0.000 . 1 . . . . . 380 HIS N . 53118 1 83 . 1 . 1 53 53 HIS H H 1 8.856 0.000 . 1 . . . . . 382 HIS H . 53118 1 84 . 1 . 1 53 53 HIS N N 15 119.837 0.000 . 1 . . . . . 382 HIS N . 53118 1 85 . 1 . 1 54 54 ALA H H 1 8.284 0.000 . 1 . . . . . 383 ALA H . 53118 1 86 . 1 . 1 54 54 ALA N N 15 124.962 0.000 . 1 . . . . . 383 ALA N . 53118 1 87 . 1 . 1 55 55 ARG H H 1 8.512 0.000 . 1 . . . . . 384 ARG H . 53118 1 88 . 1 . 1 55 55 ARG N N 15 120.871 0.000 . 1 . . . . . 384 ARG N . 53118 1 89 . 1 . 1 56 56 ILE H H 1 8.256 0.000 . 1 . . . . . 385 ILE H . 53118 1 90 . 1 . 1 56 56 ILE N N 15 122.681 0.000 . 1 . . . . . 385 ILE N . 53118 1 91 . 1 . 1 57 57 LYS H H 1 8.492 0.000 . 1 . . . . . 386 LYS H . 53118 1 92 . 1 . 1 57 57 LYS N N 15 126.349 0.000 . 1 . . . . . 386 LYS N . 53118 1 93 . 1 . 1 58 58 LEU H H 1 8.428 0.000 . 1 . . . . . 387 LEU H . 53118 1 94 . 1 . 1 58 58 LEU N N 15 125.129 0.000 . 1 . . . . . 387 LEU N . 53118 1 95 . 1 . 1 59 59 GLU H H 1 8.552 0.000 . 1 . . . . . 388 GLU H . 53118 1 96 . 1 . 1 59 59 GLU N N 15 122.169 0.000 . 1 . . . . . 388 GLU N . 53118 1 97 . 1 . 1 60 60 ASN H H 1 8.612 0.000 . 1 . . . . . 389 ASN H . 53118 1 98 . 1 . 1 60 60 ASN N N 15 120.522 0.000 . 1 . . . . . 389 ASN N . 53118 1 99 . 1 . 1 62 62 LEU H H 1 8.220 0.000 . 1 . . . . . 391 LEU H . 53118 1 100 . 1 . 1 62 62 LEU N N 15 119.980 0.000 . 1 . . . . . 391 LEU N . 53118 1 101 . 1 . 1 63 63 ASP H H 1 8.027 0.000 . 1 . . . . . 392 ASP H . 53118 1 102 . 1 . 1 63 63 ASP N N 15 119.972 0.000 . 1 . . . . . 392 ASP N . 53118 1 103 . 1 . 1 64 64 TYR H H 1 8.088 0.000 . 1 . . . . . 393 TYR H . 53118 1 104 . 1 . 1 64 64 TYR N N 15 121.217 0.000 . 1 . . . . . 393 TYR N . 53118 1 105 . 1 . 1 65 65 GLY H H 1 8.460 0.000 . 1 . . . . . 394 GLY H . 53118 1 106 . 1 . 1 65 65 GLY N N 15 109.716 0.000 . 1 . . . . . 394 GLY N . 53118 1 107 . 1 . 1 66 66 SER H H 1 8.229 0.000 . 1 . . . . . 395 SER H . 53118 1 108 . 1 . 1 66 66 SER N N 15 116.174 0.000 . 1 . . . . . 395 SER N . 53118 1 109 . 1 . 1 67 67 ALA H H 1 8.539 0.000 . 1 . . . . . 396 ALA H . 53118 1 110 . 1 . 1 67 67 ALA N N 15 125.932 0.000 . 1 . . . . . 396 ALA N . 53118 1 111 . 1 . 1 68 68 TRP H H 1 8.179 0.000 . 1 . . . . . 397 TRP H . 53118 1 112 . 1 . 1 68 68 TRP N N 15 120.032 0.000 . 1 . . . . . 397 TRP N . 53118 1 113 . 1 . 1 69 69 ALA H H 1 7.943 0.000 . 1 . . . . . 398 ALA H . 53118 1 114 . 1 . 1 69 69 ALA N N 15 123.921 0.000 . 1 . . . . . 398 ALA N . 53118 1 115 . 1 . 1 70 70 ALA H H 1 7.997 0.000 . 1 . . . . . 399 ALA H . 53118 1 116 . 1 . 1 70 70 ALA N N 15 121.996 0.000 . 1 . . . . . 399 ALA N . 53118 1 117 . 1 . 1 71 71 ALA H H 1 7.979 0.000 . 1 . . . . . 400 ALA H . 53118 1 118 . 1 . 1 71 71 ALA N N 15 121.980 0.000 . 1 . . . . . 400 ALA N . 53118 1 119 . 1 . 1 72 72 ALA H H 1 8.115 0.000 . 1 . . . . . 401 ALA H . 53118 1 120 . 1 . 1 72 72 ALA N N 15 122.149 0.000 . 1 . . . . . 401 ALA N . 53118 1 121 . 1 . 1 73 73 ALA H H 1 7.965 0.000 . 1 . . . . . 402 ALA H . 53118 1 122 . 1 . 1 73 73 ALA N N 15 121.336 0.000 . 1 . . . . . 402 ALA N . 53118 1 123 . 1 . 1 74 74 GLN H H 1 8.028 0.000 . 1 . . . . . 403 GLN H . 53118 1 124 . 1 . 1 74 74 GLN N N 15 117.869 0.000 . 1 . . . . . 403 GLN N . 53118 1 125 . 1 . 1 75 75 CYS H H 1 8.144 0.000 . 1 . . . . . 404 CYS H . 53118 1 126 . 1 . 1 75 75 CYS N N 15 119.567 0.000 . 1 . . . . . 404 CYS N . 53118 1 127 . 1 . 1 76 76 ARG H H 1 8.309 0.000 . 1 . . . . . 405 ARG H . 53118 1 128 . 1 . 1 76 76 ARG N N 15 122.994 0.000 . 1 . . . . . 405 ARG N . 53118 1 129 . 1 . 1 77 77 TYR H H 1 8.333 0.000 . 1 . . . . . 406 TYR H . 53118 1 130 . 1 . 1 77 77 TYR N N 15 120.660 0.000 . 1 . . . . . 406 TYR N . 53118 1 131 . 1 . 1 78 78 GLY H H 1 8.369 0.000 . 1 . . . . . 407 GLY H . 53118 1 132 . 1 . 1 78 78 GLY N N 15 110.265 0.000 . 1 . . . . . 407 GLY N . 53118 1 133 . 1 . 1 79 79 ASP H H 1 8.257 0.000 . 1 . . . . . 408 ASP H . 53118 1 134 . 1 . 1 79 79 ASP N N 15 120.689 0.000 . 1 . . . . . 408 ASP N . 53118 1 135 . 1 . 1 80 80 LEU H H 1 8.320 0.000 . 1 . . . . . 409 LEU H . 53118 1 136 . 1 . 1 80 80 LEU N N 15 122.760 0.000 . 1 . . . . . 409 LEU N . 53118 1 137 . 1 . 1 81 81 ALA H H 1 8.317 0.000 . 1 . . . . . 410 ALA H . 53118 1 138 . 1 . 1 81 81 ALA N N 15 123.300 0.000 . 1 . . . . . 410 ALA N . 53118 1 139 . 1 . 1 82 82 SER H H 1 8.115 0.000 . 1 . . . . . 411 SER H . 53118 1 140 . 1 . 1 82 82 SER N N 15 113.950 0.000 . 1 . . . . . 411 SER N . 53118 1 141 . 1 . 1 83 83 LEU H H 1 8.081 0.000 . 1 . . . . . 412 LEU H . 53118 1 142 . 1 . 1 83 83 LEU N N 15 123.430 0.000 . 1 . . . . . 412 LEU N . 53118 1 143 . 1 . 1 84 84 HIS H H 1 8.218 0.000 . 1 . . . . . 413 HIS H . 53118 1 144 . 1 . 1 84 84 HIS N N 15 118.865 0.000 . 1 . . . . . 413 HIS N . 53118 1 145 . 1 . 1 85 85 GLY H H 1 8.331 0.000 . 1 . . . . . 414 GLY H . 53118 1 146 . 1 . 1 85 85 GLY N N 15 109.923 0.000 . 1 . . . . . 414 GLY N . 53118 1 147 . 1 . 1 86 86 ALA H H 1 8.342 0.000 . 1 . . . . . 415 ALA H . 53118 1 148 . 1 . 1 86 86 ALA N N 15 123.978 0.000 . 1 . . . . . 415 ALA N . 53118 1 149 . 1 . 1 87 87 GLY H H 1 8.496 0.000 . 1 . . . . . 416 GLY H . 53118 1 150 . 1 . 1 87 87 GLY N N 15 108.354 0.000 . 1 . . . . . 416 GLY N . 53118 1 151 . 1 . 1 88 88 ALA H H 1 8.201 0.000 . 1 . . . . . 417 ALA H . 53118 1 152 . 1 . 1 88 88 ALA N N 15 123.950 0.000 . 1 . . . . . 417 ALA N . 53118 1 153 . 1 . 1 89 89 ALA H H 1 8.381 0.000 . 1 . . . . . 418 ALA H . 53118 1 154 . 1 . 1 89 89 ALA N N 15 123.190 0.000 . 1 . . . . . 418 ALA N . 53118 1 155 . 1 . 1 90 90 GLY H H 1 8.234 0.000 . 1 . . . . . 419 GLY H . 53118 1 156 . 1 . 1 90 90 GLY N N 15 108.192 0.000 . 1 . . . . . 419 GLY N . 53118 1 157 . 1 . 1 92 92 GLY H H 1 8.703 0.000 . 1 . . . . . 421 GLY H . 53118 1 158 . 1 . 1 92 92 GLY N N 15 110.189 0.000 . 1 . . . . . 421 GLY N . 53118 1 159 . 1 . 1 93 93 SER H H 1 8.317 0.000 . 1 . . . . . 422 SER H . 53118 1 160 . 1 . 1 93 93 SER N N 15 115.728 0.000 . 1 . . . . . 422 SER N . 53118 1 161 . 1 . 1 94 94 GLY H H 1 8.597 0.000 . 1 . . . . . 423 GLY H . 53118 1 162 . 1 . 1 94 94 GLY N N 15 111.004 0.000 . 1 . . . . . 423 GLY N . 53118 1 163 . 1 . 1 95 95 SER H H 1 8.287 0.000 . 1 . . . . . 424 SER H . 53118 1 164 . 1 . 1 95 95 SER N N 15 117.005 0.000 . 1 . . . . . 424 SER N . 53118 1 165 . 1 . 1 97 97 SER H H 1 8.459 0.000 . 1 . . . . . 426 SER H . 53118 1 166 . 1 . 1 97 97 SER N N 15 116.063 0.000 . 1 . . . . . 426 SER N . 53118 1 167 . 1 . 1 98 98 ALA H H 1 8.418 0.000 . 1 . . . . . 427 ALA H . 53118 1 168 . 1 . 1 98 98 ALA N N 15 126.466 0.000 . 1 . . . . . 427 ALA N . 53118 1 169 . 1 . 1 99 99 ALA H H 1 8.302 0.000 . 1 . . . . . 428 ALA H . 53118 1 170 . 1 . 1 99 99 ALA N N 15 123.136 0.000 . 1 . . . . . 428 ALA N . 53118 1 171 . 1 . 1 100 100 ALA H H 1 8.317 0.000 . 1 . . . . . 429 ALA H . 53118 1 172 . 1 . 1 100 100 ALA N N 15 123.300 0.000 . 1 . . . . . 429 ALA N . 53118 1 173 . 1 . 1 101 101 SER H H 1 8.301 0.000 . 1 . . . . . 430 SER H . 53118 1 174 . 1 . 1 101 101 SER N N 15 114.930 0.000 . 1 . . . . . 430 SER N . 53118 1 175 . 1 . 1 102 102 SER H H 1 8.397 0.000 . 1 . . . . . 431 SER H . 53118 1 176 . 1 . 1 102 102 SER N N 15 117.863 0.000 . 1 . . . . . 431 SER N . 53118 1 177 . 1 . 1 103 103 SER H H 1 8.333 0.000 . 1 . . . . . 432 SER H . 53118 1 178 . 1 . 1 103 103 SER N N 15 117.566 0.000 . 1 . . . . . 432 SER N . 53118 1 179 . 1 . 1 104 104 TRP H H 1 8.068 0.000 . 1 . . . . . 433 TRP H . 53118 1 180 . 1 . 1 104 104 TRP N N 15 122.604 0.000 . 1 . . . . . 433 TRP N . 53118 1 181 . 1 . 1 105 105 HIS H H 1 7.875 0.000 . 1 . . . . . 434 HIS H . 53118 1 182 . 1 . 1 105 105 HIS N N 15 121.220 0.000 . 1 . . . . . 434 HIS N . 53118 1 183 . 1 . 1 106 106 THR H H 1 8.096 0.000 . 1 . . . . . 435 THR H . 53118 1 184 . 1 . 1 106 106 THR N N 15 118.620 0.000 . 1 . . . . . 435 THR N . 53118 1 185 . 1 . 1 108 108 PHE H H 1 8.378 0.000 . 1 . . . . . 437 PHE H . 53118 1 186 . 1 . 1 108 108 PHE N N 15 120.910 0.000 . 1 . . . . . 437 PHE N . 53118 1 187 . 1 . 1 109 109 THR H H 1 8.167 0.000 . 1 . . . . . 438 THR H . 53118 1 188 . 1 . 1 109 109 THR N N 15 116.950 0.000 . 1 . . . . . 438 THR N . 53118 1 189 . 1 . 1 110 110 ALA H H 1 8.465 0.000 . 1 . . . . . 439 ALA H . 53118 1 190 . 1 . 1 110 110 ALA N N 15 126.656 0.000 . 1 . . . . . 439 ALA N . 53118 1 191 . 1 . 1 111 111 GLU H H 1 8.511 0.000 . 1 . . . . . 440 GLU H . 53118 1 192 . 1 . 1 111 111 GLU N N 15 120.298 0.000 . 1 . . . . . 440 GLU N . 53118 1 193 . 1 . 1 112 112 GLU H H 1 8.513 0.000 . 1 . . . . . 441 GLU H . 53118 1 194 . 1 . 1 112 112 GLU N N 15 122.214 0.000 . 1 . . . . . 441 GLU N . 53118 1 195 . 1 . 1 113 113 GLY H H 1 8.564 0.000 . 1 . . . . . 442 GLY H . 53118 1 196 . 1 . 1 113 113 GLY N N 15 109.993 0.000 . 1 . . . . . 442 GLY N . 53118 1 197 . 1 . 1 114 114 GLN H H 1 8.159 0.000 . 1 . . . . . 443 GLN H . 53118 1 198 . 1 . 1 114 114 GLN N N 15 119.711 0.000 . 1 . . . . . 443 GLN N . 53118 1 199 . 1 . 1 115 115 LEU H H 1 8.284 0.000 . 1 . . . . . 444 LEU H . 53118 1 200 . 1 . 1 115 115 LEU N N 15 123.340 0.000 . 1 . . . . . 444 LEU N . 53118 1 201 . 1 . 1 116 116 TYR H H 1 8.300 0.000 . 1 . . . . . 445 TYR H . 53118 1 202 . 1 . 1 116 116 TYR N N 15 120.280 0.000 . 1 . . . . . 445 TYR N . 53118 1 203 . 1 . 1 117 117 GLY H H 1 8.191 0.000 . 1 . . . . . 446 GLY H . 53118 1 204 . 1 . 1 117 117 GLY N N 15 110.366 0.000 . 1 . . . . . 446 GLY N . 53118 1 205 . 1 . 1 119 119 CYS H H 1 8.201 0.000 . 1 . . . . . 448 CYS H . 53118 1 206 . 1 . 1 119 119 CYS N N 15 123.950 0.000 . 1 . . . . . 448 CYS N . 53118 1 stop_ save_