################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26684 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 26684 1 2 '3D HNCACB' . . . 26684 1 3 '3D HN(COCA)CB' . . . 26684 1 4 '3D HNCO' . . . 26684 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 410 410 GLU H H 1 8.515 . . 1 . . . . 410 GLU H . 26684 1 2 . 1 1 410 410 GLU C C 13 176.997 . . 1 . . . . 410 GLU Co . 26684 1 3 . 1 1 410 410 GLU CA C 13 57.179 . . 1 . . . . 410 GLU Ca . 26684 1 4 . 1 1 410 410 GLU CB C 13 29.884 . . 1 . . . . 410 GLU Cb . 26684 1 5 . 1 1 410 410 GLU N N 15 122.845 . . 1 . . . . 410 GLU N . 26684 1 6 . 1 1 411 411 LEU H H 1 8.203 . . 1 . . . . 411 LEU H . 26684 1 7 . 1 1 411 411 LEU C C 13 176.127 . . 1 . . . . 411 LEU Co . 26684 1 8 . 1 1 411 411 LEU CA C 13 55.872 . . 1 . . . . 411 LEU Ca . 26684 1 9 . 1 1 411 411 LEU CB C 13 42.149 . . 1 . . . . 411 LEU Cb . 26684 1 10 . 1 1 411 411 LEU N N 15 122.258 . . 1 . . . . 411 LEU N . 26684 1 11 . 1 1 412 412 GLN H H 1 8.313 . . 1 . . . . 412 GLN H . 26684 1 12 . 1 1 412 412 GLN C C 13 176.478 . . 1 . . . . 412 GLN Co . 26684 1 13 . 1 1 412 412 GLN CA C 13 55.398 . . 1 . . . . 412 GLN Ca . 26684 1 14 . 1 1 412 412 GLN CB C 13 33.108 . . 1 . . . . 412 GLN Cb . 26684 1 15 . 1 1 412 412 GLN N N 15 120.02 . . 1 . . . . 412 GLN N . 26684 1 16 . 1 1 413 413 SER H H 1 8.283 . . 1 . . . . 413 SER H . 26684 1 17 . 1 1 413 413 SER C C 13 174.777 . . 1 . . . . 413 SER Co . 26684 1 18 . 1 1 413 413 SER CA C 13 58.749 . . 1 . . . . 413 SER Ca . 26684 1 19 . 1 1 413 413 SER CB C 13 63.626 . . 1 . . . . 413 SER Cb . 26684 1 20 . 1 1 413 413 SER N N 15 116.527 . . 1 . . . . 413 SER N . 26684 1 21 . 1 1 414 414 ARG H H 1 8.304 . . 1 . . . . 414 ARG H . 26684 1 22 . 1 1 414 414 ARG C C 13 176.426 . . 1 . . . . 414 ARG Co . 26684 1 23 . 1 1 414 414 ARG CA C 13 56.38 . . 1 . . . . 414 ARG Ca . 26684 1 24 . 1 1 414 414 ARG CB C 13 30.715 . . 1 . . . . 414 ARG Cb . 26684 1 25 . 1 1 414 414 ARG N N 15 122.998 . . 1 . . . . 414 ARG N . 26684 1 26 . 1 1 415 415 LYS H H 1 8.304 . . 1 . . . . 415 LYS H . 26684 1 27 . 1 1 415 415 LYS C C 13 176.622 . . 1 . . . . 415 LYS Co . 26684 1 28 . 1 1 415 415 LYS CA C 13 56.506 . . 1 . . . . 415 LYS Ca . 26684 1 29 . 1 1 415 415 LYS CB C 13 33.106 . . 1 . . . . 415 LYS Cb . 26684 1 30 . 1 1 415 415 LYS N N 15 122.439 . . 1 . . . . 415 LYS N . 26684 1 31 . 1 1 416 416 ALA H H 1 8.347 . . 1 . . . . 416 ALA H . 26684 1 32 . 1 1 416 416 ALA C C 13 178.154 . . 1 . . . . 416 ALA Co . 26684 1 33 . 1 1 416 416 ALA CA C 13 52.764 . . 1 . . . . 416 ALA Ca . 26684 1 34 . 1 1 416 416 ALA CB C 13 19.102 . . 1 . . . . 416 ALA Cb . 26684 1 35 . 1 1 416 416 ALA N N 15 125.408 . . 1 . . . . 416 ALA N . 26684 1 36 . 1 1 417 417 ILE H H 1 8.154 . . 1 . . . . 417 ILE H . 26684 1 37 . 1 1 417 417 ILE C C 13 176.369 . . 1 . . . . 417 ILE Co . 26684 1 38 . 1 1 417 417 ILE CA C 13 61.564 . . 1 . . . . 417 ILE Ca . 26684 1 39 . 1 1 417 417 ILE CB C 13 38.846 . . 1 . . . . 417 ILE Cb . 26684 1 40 . 1 1 417 417 ILE N N 15 120.004 . . 1 . . . . 417 ILE N . 26684 1 41 . 1 1 418 418 ASP H H 1 8.37 . . 1 . . . . 418 ASP H . 26684 1 42 . 1 1 418 418 ASP C C 13 176.256 . . 1 . . . . 418 ASP Co . 26684 1 43 . 1 1 418 418 ASP CA C 13 54.4 . . 1 . . . . 418 ASP Ca . 26684 1 44 . 1 1 418 418 ASP CB C 13 41.079 . . 1 . . . . 418 ASP Cb . 26684 1 45 . 1 1 418 418 ASP N N 15 123.924 . . 1 . . . . 418 ASP N . 26684 1 46 . 1 1 419 419 ALA H H 1 8.238 . . 1 . . . . 419 ALA H . 26684 1 47 . 1 1 419 419 ALA C C 13 177.884 . . 1 . . . . 419 ALA Co . 26684 1 48 . 1 1 419 419 ALA CA C 13 52.974 . . 1 . . . . 419 ALA Ca . 26684 1 49 . 1 1 419 419 ALA CB C 13 19.149 . . 1 . . . . 419 ALA Cb . 26684 1 50 . 1 1 419 419 ALA N N 15 124.651 . . 1 . . . . 419 ALA N . 26684 1 51 . 1 1 420 420 ALA H H 1 8.296 . . 1 . . . . 420 ALA H . 26684 1 52 . 1 1 420 420 ALA C C 13 178.28 . . 1 . . . . 420 ALA Co . 26684 1 53 . 1 1 420 420 ALA CA C 13 52.883 . . 1 . . . . 420 ALA Ca . 26684 1 54 . 1 1 420 420 ALA CB C 13 19.12 . . 1 . . . . 420 ALA Cb . 26684 1 55 . 1 1 420 420 ALA N N 15 122.327 . . 1 . . . . 420 ALA N . 26684 1 56 . 1 1 421 421 THR H H 1 8.038 . . 1 . . . . 421 THR H . 26684 1 57 . 1 1 421 421 THR C C 13 174.462 . . 1 . . . . 421 THR Co . 26684 1 58 . 1 1 421 421 THR CA C 13 62.036 . . 1 . . . . 421 THR Ca . 26684 1 59 . 1 1 421 421 THR CB C 13 69.794 . . 1 . . . . 421 THR Cb . 26684 1 60 . 1 1 421 421 THR N N 15 112.806 . . 1 . . . . 421 THR N . 26684 1 61 . 1 1 422 422 GLN H H 1 8.528 . . 1 . . . . 422 GLN H . 26684 1 62 . 1 1 422 422 GLN C C 13 176.117 . . 1 . . . . 422 GLN Co . 26684 1 63 . 1 1 422 422 GLN CA C 13 56.07 . . 1 . . . . 422 GLN Ca . 26684 1 64 . 1 1 422 422 GLN CB C 13 29.611 . . 1 . . . . 422 GLN Cb . 26684 1 65 . 1 1 422 422 GLN N N 15 123.39 . . 1 . . . . 422 GLN N . 26684 1 66 . 1 1 423 423 THR H H 1 8.265 . . 1 . . . . 423 THR H . 26684 1 67 . 1 1 423 423 THR C C 13 174.383 . . 1 . . . . 423 THR Co . 26684 1 68 . 1 1 423 423 THR CA C 13 61.886 . . 1 . . . . 423 THR Ca . 26684 1 69 . 1 1 423 423 THR CB C 13 69.799 . . 1 . . . . 423 THR Cb . 26684 1 70 . 1 1 423 423 THR N N 15 116.281 . . 1 . . . . 423 THR N . 26684 1 71 . 1 1 424 424 GLU H H 1 8.553 . . 1 . . . . 424 GLU H . 26684 1 72 . 1 1 424 424 GLU CA C 13 54.255 . . 1 . . . . 424 GLU Ca . 26684 1 73 . 1 1 424 424 GLU CB C 13 29.669 . . 1 . . . . 424 GLU Cb . 26684 1 74 . 1 1 424 424 GLU N N 15 124.91 . . 1 . . . . 424 GLU N . 26684 1 75 . 1 1 425 425 PRO C C 13 177.609 . . 1 . . . . 425 PRO Co . 26684 1 76 . 1 1 425 425 PRO CA C 13 63.579 . . 1 . . . . 425 PRO Ca . 26684 1 77 . 1 1 425 425 PRO CB C 13 32.101 . . 1 . . . . 425 PRO Cb . 26684 1 78 . 1 1 426 426 GLY H H 1 8.576 . . 1 . . . . 426 GLY H . 26684 1 79 . 1 1 426 426 GLY C C 13 174.118 . . 1 . . . . 426 GLY Co . 26684 1 80 . 1 1 426 426 GLY CA C 13 45.088 . . 1 . . . . 426 GLY Ca . 26684 1 81 . 1 1 426 426 GLY N N 15 109.747 . . 1 . . . . 426 GLY N . 26684 1 82 . 1 1 427 427 GLU H H 1 8.241 . . 1 . . . . 427 GLU H . 26684 1 83 . 1 1 427 427 GLU C C 13 176.439 . . 1 . . . . 427 GLU Co . 26684 1 84 . 1 1 427 427 GLU CA C 13 56.258 . . 1 . . . . 427 GLU Ca . 26684 1 85 . 1 1 427 427 GLU CB C 13 30.589 . . 1 . . . . 427 GLU Cb . 26684 1 86 . 1 1 427 427 GLU N N 15 120.521 . . 1 . . . . 427 GLU N . 26684 1 87 . 1 1 428 428 GLU H H 1 8.605 . . 1 . . . . 428 GLU H . 26684 1 88 . 1 1 428 428 GLU C C 13 176.324 . . 1 . . . . 428 GLU Co . 26684 1 89 . 1 1 428 428 GLU CA C 13 56.427 . . 1 . . . . 428 GLU Ca . 26684 1 90 . 1 1 428 428 GLU CB C 13 30.37 . . 1 . . . . 428 GLU Cb . 26684 1 91 . 1 1 428 428 GLU N N 15 122.387 . . 1 . . . . 428 GLU N . 26684 1 92 . 1 1 429 429 MET H H 1 8.547 . . 1 . . . . 429 MET H . 26684 1 93 . 1 1 429 429 MET CA C 13 53.199 . . 1 . . . . 429 MET Ca . 26684 1 94 . 1 1 429 429 MET CB C 13 32.373 . . 1 . . . . 429 MET Cb . 26684 1 95 . 1 1 429 429 MET N N 15 123.279 . . 1 . . . . 429 MET N . 26684 1 96 . 1 1 430 430 PRO C C 13 177.586 . . 1 . . . . 430 PRO Co . 26684 1 97 . 1 1 430 430 PRO CA C 13 63.424 . . 1 . . . . 430 PRO Ca . 26684 1 98 . 1 1 430 430 PRO CB C 13 32.065 . . 1 . . . . 430 PRO Cb . 26684 1 99 . 1 1 431 431 GLY H H 1 8.549 . . 1 . . . . 431 GLY H . 26684 1 100 . 1 1 431 431 GLY C C 13 174.128 . . 1 . . . . 431 GLY Co . 26684 1 101 . 1 1 431 431 GLY CA C 13 45.241 . . 1 . . . . 431 GLY Ca . 26684 1 102 . 1 1 431 431 GLY N N 15 109.294 . . 1 . . . . 431 GLY N . 26684 1 103 . 1 1 432 432 LEU H H 1 8.137 . . 1 . . . . 432 LEU H . 26684 1 104 . 1 1 432 432 LEU C C 13 177.59 . . 1 . . . . 432 LEU Co . 26684 1 105 . 1 1 432 432 LEU CA C 13 55.152 . . 1 . . . . 432 LEU Ca . 26684 1 106 . 1 1 432 432 LEU CB C 13 42.662 . . 1 . . . . 432 LEU Cb . 26684 1 107 . 1 1 432 432 LEU N N 15 121.74 . . 1 . . . . 432 LEU N . 26684 1 108 . 1 1 433 433 SER H H 1 8.467 . . 1 . . . . 433 SER H . 26684 1 109 . 1 1 433 433 SER C C 13 174.682 . . 1 . . . . 433 SER Co . 26684 1 110 . 1 1 433 433 SER CA C 13 58.153 . . 1 . . . . 433 SER Ca . 26684 1 111 . 1 1 433 433 SER CB C 13 63.793 . . 1 . . . . 433 SER Cb . 26684 1 112 . 1 1 433 433 SER N N 15 117.396 . . 1 . . . . 433 SER N . 26684 1 113 . 1 1 434 434 VAL H H 1 8.298 . . 1 . . . . 434 VAL H . 26684 1 114 . 1 1 434 434 VAL C C 13 176.367 . . 1 . . . . 434 VAL Co . 26684 1 115 . 1 1 434 434 VAL CA C 13 62.376 . . 1 . . . . 434 VAL Ca . 26684 1 116 . 1 1 434 434 VAL CB C 13 32.877 . . 1 . . . . 434 VAL Cb . 26684 1 117 . 1 1 434 434 VAL N N 15 121.876 . . 1 . . . . 434 VAL N . 26684 1 118 . 1 1 435 435 SER H H 1 8.407 . . 1 . . . . 435 SER H . 26684 1 119 . 1 1 435 435 SER C C 13 174.605 . . 1 . . . . 435 SER Co . 26684 1 120 . 1 1 435 435 SER CA C 13 58.429 . . 1 . . . . 435 SER Ca . 26684 1 121 . 1 1 435 435 SER CB C 13 63.789 . . 1 . . . . 435 SER Cb . 26684 1 122 . 1 1 435 435 SER N N 15 119.105 . . 1 . . . . 435 SER N . 26684 1 123 . 1 1 436 436 GLU H H 1 8.494 . . 1 . . . . 436 GLU H . 26684 1 124 . 1 1 436 436 GLU C C 13 176.669 . . 1 . . . . 436 GLU Co . 26684 1 125 . 1 1 436 436 GLU CA C 13 56.547 . . 1 . . . . 436 GLU Ca . 26684 1 126 . 1 1 436 436 GLU CB C 13 30.363 . . 1 . . . . 436 GLU Cb . 26684 1 127 . 1 1 436 436 GLU N N 15 123.391 . . 1 . . . . 436 GLU N . 26684 1 128 . 1 1 437 437 VAL H H 1 8.245 . . 1 . . . . 437 VAL H . 26684 1 129 . 1 1 437 437 VAL C C 13 176.934 . . 1 . . . . 437 VAL Co . 26684 1 130 . 1 1 437 437 VAL CA C 13 62.818 . . 1 . . . . 437 VAL Ca . 26684 1 131 . 1 1 437 437 VAL CB C 13 32.599 . . 1 . . . . 437 VAL Cb . 26684 1 132 . 1 1 437 437 VAL N N 15 121.088 . . 1 . . . . 437 VAL N . 26684 1 133 . 1 1 438 438 GLY H H 1 8.542 . . 1 . . . . 438 GLY H . 26684 1 134 . 1 1 438 438 GLY C C 13 174.495 . . 1 . . . . 438 GLY Co . 26684 1 135 . 1 1 438 438 GLY CA C 13 45.335 . . 1 . . . . 438 GLY Ca . 26684 1 136 . 1 1 438 438 GLY N N 15 112.32 . . 1 . . . . 438 GLY N . 26684 1 137 . 1 1 439 439 THR H H 1 8.103 . . 1 . . . . 439 THR H . 26684 1 138 . 1 1 439 439 THR C C 13 174.85 . . 1 . . . . 439 THR Co . 26684 1 139 . 1 1 439 439 THR CA C 13 62.012 . . 1 . . . . 439 THR Ca . 26684 1 140 . 1 1 439 439 THR CB C 13 69.853 . . 1 . . . . 439 THR Cb . 26684 1 141 . 1 1 439 439 THR N N 15 113.73 . . 1 . . . . 439 THR N . 26684 1 142 . 1 1 440 440 GLN H H 1 8.584 . . 1 . . . . 440 GLN H . 26684 1 143 . 1 1 440 440 GLN C C 13 176.223 . . 1 . . . . 440 GLN Co . 26684 1 144 . 1 1 440 440 GLN CA C 13 55.928 . . 1 . . . . 440 GLN Ca . 26684 1 145 . 1 1 440 440 GLN CB C 13 29.426 . . 1 . . . . 440 GLN Cb . 26684 1 146 . 1 1 440 440 GLN N N 15 123.073 . . 1 . . . . 440 GLN N . 26684 1 147 . 1 1 441 441 THR H H 1 8.321 . . 1 . . . . 441 THR H . 26684 1 148 . 1 1 441 441 THR C C 13 174.568 . . 1 . . . . 441 THR Co . 26684 1 149 . 1 1 441 441 THR CA C 13 61.962 . . 1 . . . . 441 THR Ca . 26684 1 150 . 1 1 441 441 THR CB C 13 69.816 . . 1 . . . . 441 THR Cb . 26684 1 151 . 1 1 441 441 THR N N 15 115.871 . . 1 . . . . 441 THR N . 26684 1 152 . 1 1 442 442 SER H H 1 8.42 . . 1 . . . . 442 SER H . 26684 1 153 . 1 1 442 442 SER C C 13 174.479 . . 1 . . . . 442 SER Co . 26684 1 154 . 1 1 442 442 SER CA C 13 58.252 . . 1 . . . . 442 SER Ca . 26684 1 155 . 1 1 442 442 SER CB C 13 63.821 . . 1 . . . . 442 SER Cb . 26684 1 156 . 1 1 442 442 SER N N 15 118.584 . . 1 . . . . 442 SER N . 26684 1 157 . 1 1 443 443 ILE H H 1 8.306 . . 1 . . . . 443 ILE H . 26684 1 158 . 1 1 443 443 ILE C C 13 176.701 . . 1 . . . . 443 ILE Co . 26684 1 159 . 1 1 443 443 ILE CA C 13 61.38 . . 1 . . . . 443 ILE Ca . 26684 1 160 . 1 1 443 443 ILE CB C 13 38.79 . . 1 . . . . 443 ILE Cb . 26684 1 161 . 1 1 443 443 ILE N N 15 122.884 . . 1 . . . . 443 ILE N . 26684 1 162 . 1 1 444 444 THR H H 1 8.327 . . 1 . . . . 444 THR H . 26684 1 163 . 1 1 444 444 THR C C 13 174.794 . . 1 . . . . 444 THR Co . 26684 1 164 . 1 1 444 444 THR CA C 13 61.833 . . 1 . . . . 444 THR Ca . 26684 1 165 . 1 1 444 444 THR CB C 13 69.785 . . 1 . . . . 444 THR Cb . 26684 1 166 . 1 1 444 444 THR N N 15 118.384 . . 1 . . . . 444 THR N . 26684 1 167 . 1 1 445 445 THR H H 1 8.197 . . 1 . . . . 445 THR H . 26684 1 168 . 1 1 445 445 THR C C 13 174.361 . . 1 . . . . 445 THR Co . 26684 1 169 . 1 1 445 445 THR CA C 13 61.974 . . 1 . . . . 445 THR Ca . 26684 1 170 . 1 1 445 445 THR CB C 13 69.777 . . 1 . . . . 445 THR Cb . 26684 1 171 . 1 1 445 445 THR N N 15 116.912 . . 1 . . . . 445 THR N . 26684 1 172 . 1 1 446 446 ALA H H 1 8.386 . . 1 . . . . 446 ALA H . 26684 1 173 . 1 1 446 446 ALA C C 13 177.69 . . 1 . . . . 446 ALA Co . 26684 1 174 . 1 1 446 446 ALA CA C 13 52.607 . . 1 . . . . 446 ALA Ca . 26684 1 175 . 1 1 446 446 ALA CB C 13 19.264 . . 1 . . . . 446 ALA Cb . 26684 1 176 . 1 1 446 446 ALA N N 15 126.695 . . 1 . . . . 446 ALA N . 26684 1 177 . 1 1 447 447 CYS H H 1 8.389 . . 1 . . . . 447 CYS H . 26684 1 178 . 1 1 447 447 CYS C C 13 174.524 . . 1 . . . . 447 CYS Co . 26684 1 179 . 1 1 447 447 CYS CA C 13 58.28 . . 1 . . . . 447 CYS Ca . 26684 1 180 . 1 1 447 447 CYS CB C 13 28.07 . . 1 . . . . 447 CYS Cb . 26684 1 181 . 1 1 447 447 CYS N N 15 118.969 . . 1 . . . . 447 CYS N . 26684 1 182 . 1 1 448 448 ALA H H 1 8.527 . . 1 . . . . 448 ALA H . 26684 1 183 . 1 1 448 448 ALA C C 13 178.286 . . 1 . . . . 448 ALA Co . 26684 1 184 . 1 1 448 448 ALA CA C 13 52.979 . . 1 . . . . 448 ALA Ca . 26684 1 185 . 1 1 448 448 ALA CB C 13 19.28 . . 1 . . . . 448 ALA Cb . 26684 1 186 . 1 1 448 448 ALA N N 15 127.015 . . 1 . . . . 448 ALA N . 26684 1 187 . 1 1 449 449 GLY H H 1 8.465 . . 1 . . . . 449 GLY H . 26684 1 188 . 1 1 449 449 GLY C C 13 174.475 . . 1 . . . . 449 GLY Co . 26684 1 189 . 1 1 449 449 GLY CA C 13 45.321 . . 1 . . . . 449 GLY Ca . 26684 1 190 . 1 1 449 449 GLY N N 15 108.396 . . 1 . . . . 449 GLY N . 26684 1 191 . 1 1 450 450 THR H H 1 8.117 . . 1 . . . . 450 THR H . 26684 1 192 . 1 1 450 450 THR C C 13 174.57 . . 1 . . . . 450 THR Co . 26684 1 193 . 1 1 450 450 THR CA C 13 62.012 . . 1 . . . . 450 THR Ca . 26684 1 194 . 1 1 450 450 THR CB C 13 69.853 . . 1 . . . . 450 THR Cb . 26684 1 195 . 1 1 450 450 THR N N 15 113.766 . . 1 . . . . 450 THR N . 26684 1 196 . 1 1 451 451 GLN H H 1 8.367 . . 1 . . . . 451 GLN H . 26684 1 197 . 1 1 451 451 GLN C C 13 175.898 . . 1 . . . . 451 GLN Co . 26684 1 198 . 1 1 451 451 GLN CA C 13 55.702 . . 1 . . . . 451 GLN Ca . 26684 1 199 . 1 1 451 451 GLN CB C 13 29.617 . . 1 . . . . 451 GLN Cb . 26684 1 200 . 1 1 451 451 GLN N N 15 122.949 . . 1 . . . . 451 GLN N . 26684 1 201 . 1 1 452 452 THR H H 1 8.28 . . 1 . . . . 452 THR H . 26684 1 202 . 1 1 452 452 THR C C 13 174.193 . . 1 . . . . 452 THR Co . 26684 1 203 . 1 1 452 452 THR CA C 13 61.892 . . 1 . . . . 452 THR Ca . 26684 1 204 . 1 1 452 452 THR CB C 13 69.972 . . 1 . . . . 452 THR Cb . 26684 1 205 . 1 1 452 452 THR N N 15 116.22 . . 1 . . . . 452 THR N . 26684 1 206 . 1 1 453 453 ALA H H 1 8.39 . . 1 . . . . 453 ALA H . 26684 1 207 . 1 1 453 453 ALA C C 13 177.556 . . 1 . . . . 453 ALA Co . 26684 1 208 . 1 1 453 453 ALA CA C 13 52.509 . . 1 . . . . 453 ALA Ca . 26684 1 209 . 1 1 453 453 ALA CB C 13 19.254 . . 1 . . . . 453 ALA Cb . 26684 1 210 . 1 1 453 453 ALA N N 15 127.058 . . 1 . . . . 453 ALA N . 26684 1 211 . 1 1 454 454 VAL H H 1 8.229 . . 1 . . . . 454 VAL H . 26684 1 212 . 1 1 454 454 VAL C C 13 176.306 . . 1 . . . . 454 VAL Co . 26684 1 213 . 1 1 454 454 VAL CA C 13 62.581 . . 1 . . . . 454 VAL Ca . 26684 1 214 . 1 1 454 454 VAL CB C 13 32.663 . . 1 . . . . 454 VAL Cb . 26684 1 215 . 1 1 454 454 VAL N N 15 120.662 . . 1 . . . . 454 VAL N . 26684 1 216 . 1 1 455 455 ILE H H 1 8.369 . . 1 . . . . 455 ILE H . 26684 1 217 . 1 1 455 455 ILE C C 13 176.454 . . 1 . . . . 455 ILE Co . 26684 1 218 . 1 1 455 455 ILE CA C 13 60.946 . . 1 . . . . 455 ILE Ca . 26684 1 219 . 1 1 455 455 ILE CB C 13 38.575 . . 1 . . . . 455 ILE Cb . 26684 1 220 . 1 1 455 455 ILE N N 15 125.837 . . 1 . . . . 455 ILE N . 26684 1 221 . 1 1 456 456 THR H H 1 8.345 . . 1 . . . . 456 THR H . 26684 1 222 . 1 1 456 456 THR C C 13 174.219 . . 1 . . . . 456 THR Co . 26684 1 223 . 1 1 456 456 THR CA C 13 62.041 . . 1 . . . . 456 THR Ca . 26684 1 224 . 1 1 456 456 THR CB C 13 69.768 . . 1 . . . . 456 THR Cb . 26684 1 225 . 1 1 456 456 THR N N 15 119.991 . . 1 . . . . 456 THR N . 26684 1 226 . 1 1 457 457 ARG H H 1 8.424 . . 1 . . . . 457 ARG H . 26684 1 227 . 1 1 457 457 ARG C C 13 176.076 . . 1 . . . . 457 ARG Co . 26684 1 228 . 1 1 457 457 ARG CA C 13 55.979 . . 1 . . . . 457 ARG Ca . 26684 1 229 . 1 1 457 457 ARG CB C 13 30.889 . . 1 . . . . 457 ARG Cb . 26684 1 230 . 1 1 457 457 ARG N N 15 124.529 . . 1 . . . . 457 ARG N . 26684 1 231 . 1 1 458 458 ILE H H 1 8.309 . . 1 . . . . 458 ILE H . 26684 1 232 . 1 1 458 458 ILE C C 13 176.155 . . 1 . . . . 458 ILE Co . 26684 1 233 . 1 1 458 458 ILE CA C 13 61.013 . . 1 . . . . 458 ILE Ca . 26684 1 234 . 1 1 458 458 ILE CB C 13 38.722 . . 1 . . . . 458 ILE Cb . 26684 1 235 . 1 1 458 458 ILE N N 15 123.158 . . 1 . . . . 458 ILE N . 26684 1 236 . 1 1 459 459 ALA H H 1 8.531 . . 1 . . . . 459 ALA H . 26684 1 237 . 1 1 459 459 ALA C C 13 177.85 . . 1 . . . . 459 ALA Co . 26684 1 238 . 1 1 459 459 ALA CA C 13 52.705 . . 1 . . . . 459 ALA Ca . 26684 1 239 . 1 1 459 459 ALA CB C 13 19.202 . . 1 . . . . 459 ALA Cb . 26684 1 240 . 1 1 459 459 ALA N N 15 128.914 . . 1 . . . . 459 ALA N . 26684 1 241 . 1 1 460 460 SER H H 1 8.391 . . 1 . . . . 460 SER H . 26684 1 242 . 1 1 460 460 SER C C 13 174.864 . . 1 . . . . 460 SER Co . 26684 1 243 . 1 1 460 460 SER CA C 13 58.38 . . 1 . . . . 460 SER Ca . 26684 1 244 . 1 1 460 460 SER CB C 13 63.808 . . 1 . . . . 460 SER Cb . 26684 1 245 . 1 1 460 460 SER N N 15 115.522 . . 1 . . . . 460 SER N . 26684 1 246 . 1 1 461 461 SER H H 1 8.427 . . 1 . . . . 461 SER H . 26684 1 247 . 1 1 461 461 SER C C 13 174.672 . . 1 . . . . 461 SER Co . 26684 1 248 . 1 1 461 461 SER CA C 13 58.634 . . 1 . . . . 461 SER Ca . 26684 1 249 . 1 1 461 461 SER CB C 13 63.719 . . 1 . . . . 461 SER Cb . 26684 1 250 . 1 1 461 461 SER N N 15 117.773 . . 1 . . . . 461 SER N . 26684 1 251 . 1 1 462 462 GLN H H 1 8.453 . . 1 . . . . 462 GLN H . 26684 1 252 . 1 1 462 462 GLN C C 13 176.206 . . 1 . . . . 462 GLN Co . 26684 1 253 . 1 1 462 462 GLN CA C 13 56.013 . . 1 . . . . 462 GLN Ca . 26684 1 254 . 1 1 462 462 GLN CB C 13 29.403 . . 1 . . . . 462 GLN Cb . 26684 1 255 . 1 1 462 462 GLN N N 15 122.026 . . 1 . . . . 462 GLN N . 26684 1 256 . 1 1 463 463 THR H H 1 8.245 . . 1 . . . . 463 THR H . 26684 1 257 . 1 1 463 463 THR C C 13 174.697 . . 1 . . . . 463 THR Co . 26684 1 258 . 1 1 463 463 THR CA C 13 62.141 . . 1 . . . . 463 THR Ca . 26684 1 259 . 1 1 463 463 THR CB C 13 69.766 . . 1 . . . . 463 THR Cb . 26684 1 260 . 1 1 463 463 THR N N 15 115.45 . . 1 . . . . 463 THR N . 26684 1 261 . 1 1 464 464 THR H H 1 8.217 . . 1 . . . . 464 THR H . 26684 1 262 . 1 1 464 464 THR C C 13 174.45 . . 1 . . . . 464 THR Co . 26684 1 263 . 1 1 464 464 THR CA C 13 62.006 . . 1 . . . . 464 THR Ca . 26684 1 264 . 1 1 464 464 THR CB C 13 69.966 . . 1 . . . . 464 THR Cb . 26684 1 265 . 1 1 464 464 THR N N 15 117.383 . . 1 . . . . 464 THR N . 26684 1 266 . 1 1 465 465 ILE H H 1 8.193 . . 1 . . . . 465 ILE H . 26684 1 267 . 1 1 465 465 ILE CA C 13 61.509 . . 1 . . . . 465 ILE Ca . 26684 1 268 . 1 1 465 465 ILE CB C 13 38.527 . . 1 . . . . 465 ILE Cb . 26684 1 269 . 1 1 465 465 ILE N N 15 123.182 . . 1 . . . . 465 ILE N . 26684 1 270 . 1 1 466 466 TRP H H 1 10.158 . . 1 . . . . 466 TRP H . 26684 1 271 . 1 1 466 466 TRP C C 13 176.284 . . 1 . . . . 466 TRP Co . 26684 1 272 . 1 1 466 466 TRP CA C 13 57.474 . . 1 . . . . 466 TRP Ca . 26684 1 273 . 1 1 466 466 TRP CB C 13 29.662 . . 1 . . . . 466 TRP Cb . 26684 1 274 . 1 1 466 466 TRP N N 15 129.529 . . 1 . . . . 466 TRP N . 26684 1 275 . 1 1 467 467 SER H H 1 8.055 . . 1 . . . . 467 SER H . 26684 1 276 . 1 1 467 467 SER C C 13 174.095 . . 1 . . . . 467 SER Co . 26684 1 277 . 1 1 467 467 SER CA C 13 58.072 . . 1 . . . . 467 SER Ca . 26684 1 278 . 1 1 467 467 SER CB C 13 63.867 . . 1 . . . . 467 SER Cb . 26684 1 279 . 1 1 467 467 SER N N 15 117.767 . . 1 . . . . 467 SER N . 26684 1 280 . 1 1 468 468 ARG H H 1 8.223 . . 1 . . . . 468 ARG H . 26684 1 281 . 1 1 468 468 ARG C C 13 176.412 . . 1 . . . . 468 ARG Co . 26684 1 282 . 1 1 468 468 ARG CA C 13 56.261 . . 1 . . . . 468 ARG Ca . 26684 1 283 . 1 1 468 468 ARG CB C 13 30.772 . . 1 . . . . 468 ARG Cb . 26684 1 284 . 1 1 468 468 ARG N N 15 122.856 . . 1 . . . . 468 ARG N . 26684 1 285 . 1 1 469 469 SER H H 1 8.414 . . 1 . . . . 469 SER H . 26684 1 286 . 1 1 469 469 SER C C 13 174.978 . . 1 . . . . 469 SER Co . 26684 1 287 . 1 1 469 469 SER CA C 13 58.385 . . 1 . . . . 469 SER Ca . 26684 1 288 . 1 1 469 469 SER CB C 13 63.82 . . 1 . . . . 469 SER Cb . 26684 1 289 . 1 1 469 469 SER N N 15 116.968 . . 1 . . . . 469 SER N . 26684 1 290 . 1 1 470 470 THR H H 1 8.28 . . 1 . . . . 470 THR H . 26684 1 291 . 1 1 470 470 THR C C 13 174.898 . . 1 . . . . 470 THR Co . 26684 1 292 . 1 1 470 470 THR CA C 13 61.878 . . 1 . . . . 470 THR Ca . 26684 1 293 . 1 1 470 470 THR CB C 13 69.855 . . 1 . . . . 470 THR Cb . 26684 1 294 . 1 1 470 470 THR N N 15 115.731 . . 1 . . . . 470 THR N . 26684 1 295 . 1 1 471 471 THR H H 1 8.24 . . 1 . . . . 471 THR H . 26684 1 296 . 1 1 471 471 THR C C 13 174.742 . . 1 . . . . 471 THR Co . 26684 1 297 . 1 1 471 471 THR CA C 13 61.886 . . 1 . . . . 471 THR Ca . 26684 1 298 . 1 1 471 471 THR CB C 13 69.799 . . 1 . . . . 471 THR Cb . 26684 1 299 . 1 1 471 471 THR N N 15 115.947 . . 1 . . . . 471 THR N . 26684 1 300 . 1 1 472 472 THR H H 1 8.236 . . 1 . . . . 472 THR H . 26684 1 301 . 1 1 472 472 THR C C 13 174.85 . . 1 . . . . 472 THR Co . 26684 1 302 . 1 1 472 472 THR CA C 13 61.961 . . 1 . . . . 472 THR Ca . 26684 1 303 . 1 1 472 472 THR CB C 13 69.819 . . 1 . . . . 472 THR Cb . 26684 1 304 . 1 1 472 472 THR N N 15 116.697 . . 1 . . . . 472 THR N . 26684 1 305 . 1 1 473 473 GLN H H 1 8.585 . . 1 . . . . 473 GLN H . 26684 1 306 . 1 1 473 473 GLN C C 13 176.064 . . 1 . . . . 473 GLN Co . 26684 1 307 . 1 1 473 473 GLN CA C 13 55.928 . . 1 . . . . 473 GLN Ca . 26684 1 308 . 1 1 473 473 GLN CB C 13 29.426 . . 1 . . . . 473 GLN Cb . 26684 1 309 . 1 1 473 473 GLN N N 15 123.013 . . 1 . . . . 473 GLN N . 26684 1 310 . 1 1 474 474 THR H H 1 8.337 . . 1 . . . . 474 THR H . 26684 1 311 . 1 1 474 474 THR C C 13 174.335 . . 1 . . . . 474 THR Co . 26684 1 312 . 1 1 474 474 THR CA C 13 61.916 . . 1 . . . . 474 THR Ca . 26684 1 313 . 1 1 474 474 THR CB C 13 69.948 . . 1 . . . . 474 THR Cb . 26684 1 314 . 1 1 474 474 THR N N 15 115.517 . . 1 . . . . 474 THR N . 26684 1 315 . 1 1 475 475 ASP H H 1 8.464 . . 1 . . . . 475 ASP H . 26684 1 316 . 1 1 475 475 ASP C C 13 177.97 . . 1 . . . . 475 ASP Co . 26684 1 317 . 1 1 475 475 ASP CA C 13 54.638 . . 1 . . . . 475 ASP Ca . 26684 1 318 . 1 1 475 475 ASP CB C 13 41.001 . . 1 . . . . 475 ASP Cb . 26684 1 319 . 1 1 475 475 ASP N N 15 122.408 . . 1 . . . . 475 ASP N . 26684 1 320 . 1 1 476 476 MET H H 1 8.315 . . 1 . . . . 476 MET H . 26684 1 321 . 1 1 476 476 MET C C 13 175.938 . . 1 . . . . 476 MET Co . 26684 1 322 . 1 1 476 476 MET CA C 13 56.185 . . 1 . . . . 476 MET Ca . 26684 1 323 . 1 1 476 476 MET CB C 13 33.108 . . 1 . . . . 476 MET Cb . 26684 1 324 . 1 1 476 476 MET N N 15 120.211 . . 1 . . . . 476 MET N . 26684 1 325 . 1 1 477 477 ASP H H 1 8.403 . . 1 . . . . 477 ASP H . 26684 1 326 . 1 1 477 477 ASP C C 13 175.257 . . 1 . . . . 477 ASP Co . 26684 1 327 . 1 1 477 477 ASP CA C 13 54.646 . . 1 . . . . 477 ASP Ca . 26684 1 328 . 1 1 477 477 ASP CB C 13 41.229 . . 1 . . . . 477 ASP Cb . 26684 1 329 . 1 1 477 477 ASP N N 15 122.081 . . 1 . . . . 477 ASP N . 26684 1 330 . 1 1 478 478 GLU H H 1 7.934 . . 1 . . . . 478 GLU H . 26684 1 331 . 1 1 478 478 GLU CA C 13 58.032 . . 1 . . . . 478 GLU Ca . 26684 1 332 . 1 1 478 478 GLU CB C 13 31.269 . . 1 . . . . 478 GLU Cb . 26684 1 333 . 1 1 478 478 GLU N N 15 125.858 . . 1 . . . . 478 GLU N . 26684 1 stop_ save_