################################### # 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 50030 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 50030 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 GLU H H 1 8.237 . . 1 . . . . . 370 GLU H . 50030 1 2 . 1 . 1 4 4 GLU N N 15 121.903 . . 1 . . . . . 370 GLU N . 50030 1 3 . 1 . 1 5 5 PHE H H 1 8.120 . . 1 . . . . . 371 PHE H . 50030 1 4 . 1 . 1 5 5 PHE N N 15 120.634 . . 1 . . . . . 371 PHE N . 50030 1 5 . 1 . 1 6 6 GLN H H 1 8.184 . . 1 . . . . . 372 GLN H . 50030 1 6 . 1 . 1 6 6 GLN N N 15 121.896 . . 1 . . . . . 372 GLN N . 50030 1 7 . 1 . 1 7 7 SER H H 1 8.235 . . 1 . . . . . 373 SER H . 50030 1 8 . 1 . 1 7 7 SER N N 15 117.099 . . 1 . . . . . 373 SER N . 50030 1 9 . 1 . 1 8 8 ASP H H 1 8.236 . . 1 . . . . . 374 ASP H . 50030 1 10 . 1 . 1 8 8 ASP N N 15 121.859 . . 1 . . . . . 374 ASP N . 50030 1 11 . 1 . 1 9 9 HIS H H 1 8.259 . . 1 . . . . . 375 HIS H . 50030 1 12 . 1 . 1 9 9 HIS N N 15 119.739 . . 1 . . . . . 375 HIS N . 50030 1 13 . 1 . 1 10 10 ARG H H 1 8.118 . . 1 . . . . . 376 ARG H . 50030 1 14 . 1 . 1 10 10 ARG N N 15 121.430 . . 1 . . . . . 376 ARG N . 50030 1 15 . 1 . 1 11 11 GLU H H 1 8.600 . . 1 . . . . . 377 GLU H . 50030 1 16 . 1 . 1 11 11 GLU N N 15 120.977 . . 1 . . . . . 377 GLU N . 50030 1 17 . 1 . 1 23 23 GLN H H 1 8.444 . . 1 . . . . . 389 GLN H . 50030 1 18 . 1 . 1 23 23 GLN N N 15 120.752 . . 1 . . . . . 389 GLN N . 50030 1 19 . 1 . 1 24 24 THR H H 1 8.004 . . 1 . . . . . 390 THR H . 50030 1 20 . 1 . 1 24 24 THR N N 15 114.927 . . 1 . . . . . 390 THR N . 50030 1 21 . 1 . 1 25 25 VAL H H 1 8.234 . . 1 . . . . . 391 VAL H . 50030 1 22 . 1 . 1 25 25 VAL N N 15 113.553 . . 1 . . . . . 391 VAL N . 50030 1 23 . 1 . 1 26 26 ASP H H 1 8.277 . . 1 . . . . . 392 ASP H . 50030 1 24 . 1 . 1 26 26 ASP N N 15 121.350 . . 1 . . . . . 392 ASP N . 50030 1 25 . 1 . 1 27 27 GLY H H 1 7.653 . . 1 . . . . . 393 GLY H . 50030 1 26 . 1 . 1 27 27 GLY N N 15 108.659 . . 1 . . . . . 393 GLY N . 50030 1 27 . 1 . 1 28 28 LYS H H 1 7.661 . . 1 . . . . . 394 LYS H . 50030 1 28 . 1 . 1 28 28 LYS N N 15 119.347 . . 1 . . . . . 394 LYS N . 50030 1 29 . 1 . 1 29 29 HIS H H 1 7.907 . . 1 . . . . . 395 HIS H . 50030 1 30 . 1 . 1 29 29 HIS N N 15 115.682 . . 1 . . . . . 395 HIS N . 50030 1 31 . 1 . 1 30 30 GLN H H 1 8.957 . . 1 . . . . . 396 GLN H . 50030 1 32 . 1 . 1 30 30 GLN N N 15 123.667 . . 1 . . . . . 396 GLN N . 50030 1 33 . 1 . 1 31 31 ASP H H 1 9.343 . . 1 . . . . . 397 ASP H . 50030 1 34 . 1 . 1 31 31 ASP N N 15 114.637 . . 1 . . . . . 397 ASP N . 50030 1 35 . 1 . 1 32 32 LEU H H 1 7.373 . . 1 . . . . . 398 LEU H . 50030 1 36 . 1 . 1 32 32 LEU N N 15 120.399 . . 1 . . . . . 398 LEU N . 50030 1 37 . 1 . 1 33 33 LYS H H 1 8.457 . . 1 . . . . . 399 LYS H . 50030 1 38 . 1 . 1 33 33 LYS N N 15 118.704 . . 1 . . . . . 399 LYS N . 50030 1 39 . 1 . 1 34 34 TYR H H 1 8.828 . . 1 . . . . . 400 TYR H . 50030 1 40 . 1 . 1 34 34 TYR N N 15 122.100 . . 1 . . . . . 400 TYR N . 50030 1 41 . 1 . 1 35 35 ILE H H 1 8.765 . . 1 . . . . . 401 ILE H . 50030 1 42 . 1 . 1 35 35 ILE N N 15 110.025 . . 1 . . . . . 401 ILE N . 50030 1 43 . 1 . 1 36 36 SER H H 1 8.711 . . 1 . . . . . 402 SER H . 50030 1 44 . 1 . 1 36 36 SER N N 15 116.828 . . 1 . . . . . 402 SER N . 50030 1 45 . 1 . 1 38 38 GLU H H 1 8.274 . . 1 . . . . . 404 GLU H . 50030 1 46 . 1 . 1 38 38 GLU N N 15 116.278 . . 1 . . . . . 404 GLU N . 50030 1 47 . 1 . 1 39 39 THR H H 1 7.788 . . 1 . . . . . 405 THR H . 50030 1 48 . 1 . 1 39 39 THR N N 15 121.684 . . 1 . . . . . 405 THR N . 50030 1 49 . 1 . 1 40 40 MET H H 1 7.666 . . 1 . . . . . 406 MET H . 50030 1 50 . 1 . 1 40 40 MET N N 15 121.852 . . 1 . . . . . 406 MET N . 50030 1 51 . 1 . 1 41 41 VAL H H 1 8.013 . . 1 . . . . . 407 VAL H . 50030 1 52 . 1 . 1 41 41 VAL N N 15 119.311 . . 1 . . . . . 407 VAL N . 50030 1 53 . 1 . 1 42 42 ALA H H 1 7.659 . . 1 . . . . . 408 ALA H . 50030 1 54 . 1 . 1 42 42 ALA N N 15 125.084 . . 1 . . . . . 408 ALA N . 50030 1 55 . 1 . 1 43 43 LEU H H 1 7.676 . . 1 . . . . . 409 LEU H . 50030 1 56 . 1 . 1 43 43 LEU N N 15 118.291 . . 1 . . . . . 409 LEU N . 50030 1 57 . 1 . 1 44 44 LEU H H 1 8.025 . . 1 . . . . . 410 LEU H . 50030 1 58 . 1 . 1 44 44 LEU N N 15 119.689 . . 1 . . . . . 410 LEU N . 50030 1 59 . 1 . 1 45 45 THR H H 1 7.904 . . 1 . . . . . 411 THR H . 50030 1 60 . 1 . 1 45 45 THR N N 15 107.340 . . 1 . . . . . 411 THR N . 50030 1 61 . 1 . 1 46 46 GLY H H 1 7.586 . . 1 . . . . . 412 GLY H . 50030 1 62 . 1 . 1 46 46 GLY N N 15 108.178 . . 1 . . . . . 412 GLY N . 50030 1 63 . 1 . 1 47 47 LYS H H 1 8.175 . . 1 . . . . . 413 LYS H . 50030 1 64 . 1 . 1 47 47 LYS N N 15 119.600 . . 1 . . . . . 413 LYS N . 50030 1 65 . 1 . 1 48 48 PHE H H 1 8.337 . . 1 . . . . . 414 PHE H . 50030 1 66 . 1 . 1 48 48 PHE N N 15 114.034 . . 1 . . . . . 414 PHE N . 50030 1 67 . 1 . 1 49 49 SER H H 1 7.585 . . 1 . . . . . 415 SER H . 50030 1 68 . 1 . 1 49 49 SER N N 15 117.994 . . 1 . . . . . 415 SER N . 50030 1 69 . 1 . 1 50 50 ASN H H 1 8.629 . . 1 . . . . . 416 ASN H . 50030 1 70 . 1 . 1 50 50 ASN N N 15 117.188 . . 1 . . . . . 416 ASN N . 50030 1 71 . 1 . 1 53 53 ASP H H 1 9.138 . . 1 . . . . . 419 ASP H . 50030 1 72 . 1 . 1 53 53 ASP N N 15 128.692 . . 1 . . . . . 419 ASP N . 50030 1 73 . 1 . 1 55 55 PHE H H 1 7.938 . . 1 . . . . . 421 PHE H . 50030 1 74 . 1 . 1 55 55 PHE N N 15 118.484 . . 1 . . . . . 421 PHE N . 50030 1 75 . 1 . 1 56 56 VAL H H 1 7.937 . . 1 . . . . . 422 VAL H . 50030 1 76 . 1 . 1 56 56 VAL N N 15 121.388 . . 1 . . . . . 422 VAL N . 50030 1 77 . 1 . 1 57 57 ILE H H 1 8.940 . . 1 . . . . . 423 ILE H . 50030 1 78 . 1 . 1 57 57 ILE N N 15 128.034 . . 1 . . . . . 423 ILE N . 50030 1 79 . 1 . 1 58 58 VAL H H 1 9.425 . . 1 . . . . . 424 VAL H . 50030 1 80 . 1 . 1 58 58 VAL N N 15 128.388 . . 1 . . . . . 424 VAL N . 50030 1 81 . 1 . 1 59 59 ASP H H 1 8.677 . . 1 . . . . . 425 ASP H . 50030 1 82 . 1 . 1 59 59 ASP N N 15 127.241 . . 1 . . . . . 425 ASP N . 50030 1 83 . 1 . 1 60 60 CYS H H 1 8.280 . . 1 . . . . . 426 CYS H . 50030 1 84 . 1 . 1 60 60 CYS N N 15 124.636 . . 1 . . . . . 426 CYS N . 50030 1 85 . 1 . 1 61 61 ARG H H 1 7.624 . . 1 . . . . . 427 ARG H . 50030 1 86 . 1 . 1 61 61 ARG N N 15 117.388 . . 1 . . . . . 427 ARG N . 50030 1 87 . 1 . 1 62 62 TYR H H 1 7.578 . . 1 . . . . . 428 TYR H . 50030 1 88 . 1 . 1 62 62 TYR N N 15 118.134 . . 1 . . . . . 428 TYR N . 50030 1 89 . 1 . 1 64 64 TYR H H 1 7.016 . . 1 . . . . . 430 TYR H . 50030 1 90 . 1 . 1 64 64 TYR N N 15 110.346 . . 1 . . . . . 430 TYR N . 50030 1 91 . 1 . 1 65 65 GLU H H 1 6.113 . . 1 . . . . . 431 GLU H . 50030 1 92 . 1 . 1 65 65 GLU N N 15 123.353 . . 1 . . . . . 431 GLU N . 50030 1 93 . 1 . 1 66 66 TYR H H 1 6.953 . . 1 . . . . . 432 TYR H . 50030 1 94 . 1 . 1 66 66 TYR N N 15 120.683 . . 1 . . . . . 432 TYR N . 50030 1 95 . 1 . 1 67 67 GLU H H 1 9.060 . . 1 . . . . . 433 GLU H . 50030 1 96 . 1 . 1 67 67 GLU N N 15 120.761 . . 1 . . . . . 433 GLU N . 50030 1 97 . 1 . 1 68 68 GLY H H 1 6.938 . . 1 . . . . . 434 GLY H . 50030 1 98 . 1 . 1 68 68 GLY N N 15 103.908 . . 1 . . . . . 434 GLY N . 50030 1 99 . 1 . 1 69 69 GLY H H 1 6.453 . . 1 . . . . . 435 GLY H . 50030 1 100 . 1 . 1 69 69 GLY N N 15 106.556 . . 1 . . . . . 435 GLY N . 50030 1 101 . 1 . 1 70 70 HIS H H 1 7.524 . . 1 . . . . . 436 HIS H . 50030 1 102 . 1 . 1 70 70 HIS N N 15 123.922 . . 1 . . . . . 436 HIS N . 50030 1 103 . 1 . 1 71 71 ILE H H 1 10.598 . . 1 . . . . . 437 ILE H . 50030 1 104 . 1 . 1 71 71 ILE N N 15 123.829 . . 1 . . . . . 437 ILE N . 50030 1 105 . 1 . 1 73 73 THR H H 1 8.751 . . 1 . . . . . 439 THR H . 50030 1 106 . 1 . 1 73 73 THR N N 15 113.566 . . 1 . . . . . 439 THR N . 50030 1 107 . 1 . 1 74 74 ALA H H 1 8.644 . . 1 . . . . . 440 ALA H . 50030 1 108 . 1 . 1 74 74 ALA N N 15 125.853 . . 1 . . . . . 440 ALA N . 50030 1 109 . 1 . 1 75 75 VAL H H 1 8.977 . . 1 . . . . . 441 VAL H . 50030 1 110 . 1 . 1 75 75 VAL N N 15 121.127 . . 1 . . . . . 441 VAL N . 50030 1 111 . 1 . 1 76 76 ASN H H 1 8.450 . . 1 . . . . . 442 ASN H . 50030 1 112 . 1 . 1 76 76 ASN N N 15 124.787 . . 1 . . . . . 442 ASN N . 50030 1 113 . 1 . 1 77 77 LEU H H 1 7.017 . . 1 . . . . . 443 LEU H . 50030 1 114 . 1 . 1 77 77 LEU N N 15 124.237 . . 1 . . . . . 443 LEU N . 50030 1 115 . 1 . 1 79 79 LEU H H 1 7.384 . . 1 . . . . . 445 LEU H . 50030 1 116 . 1 . 1 79 79 LEU N N 15 115.063 . . 1 . . . . . 445 LEU N . 50030 1 117 . 1 . 1 80 80 GLU H H 1 9.186 . . 1 . . . . . 446 GLU H . 50030 1 118 . 1 . 1 80 80 GLU N N 15 125.377 . . 1 . . . . . 446 GLU N . 50030 1 119 . 1 . 1 81 81 ARG H H 1 8.408 . . 1 . . . . . 447 ARG H . 50030 1 120 . 1 . 1 81 81 ARG N N 15 115.482 . . 1 . . . . . 447 ARG N . 50030 1 121 . 1 . 1 82 82 ASP H H 1 6.852 . . 1 . . . . . 448 ASP H . 50030 1 122 . 1 . 1 82 82 ASP N N 15 118.964 . . 1 . . . . . 448 ASP N . 50030 1 123 . 1 . 1 83 83 ALA H H 1 8.128 . . 1 . . . . . 449 ALA H . 50030 1 124 . 1 . 1 83 83 ALA N N 15 123.497 . . 1 . . . . . 449 ALA N . 50030 1 125 . 1 . 1 84 84 GLU H H 1 8.977 . . 1 . . . . . 450 GLU H . 50030 1 126 . 1 . 1 84 84 GLU N N 15 118.511 . . 1 . . . . . 450 GLU N . 50030 1 127 . 1 . 1 85 85 SER H H 1 7.858 . . 1 . . . . . 451 SER H . 50030 1 128 . 1 . 1 85 85 SER N N 15 113.833 . . 1 . . . . . 451 SER N . 50030 1 129 . 1 . 1 86 86 PHE H H 1 8.185 . . 1 . . . . . 452 PHE H . 50030 1 130 . 1 . 1 86 86 PHE N N 15 119.709 . . 1 . . . . . 452 PHE N . 50030 1 131 . 1 . 1 87 87 LEU H H 1 8.177 . . 1 . . . . . 453 LEU H . 50030 1 132 . 1 . 1 87 87 LEU N N 15 111.974 . . 1 . . . . . 453 LEU N . 50030 1 133 . 1 . 1 88 88 LEU H H 1 8.194 . . 1 . . . . . 454 LEU H . 50030 1 134 . 1 . 1 88 88 LEU N N 15 117.127 . . 1 . . . . . 454 LEU N . 50030 1 135 . 1 . 1 89 89 LYS H H 1 7.182 . . 1 . . . . . 455 LYS H . 50030 1 136 . 1 . 1 89 89 LYS N N 15 120.974 . . 1 . . . . . 455 LYS N . 50030 1 137 . 1 . 1 90 90 SER H H 1 7.766 . . 1 . . . . . 456 SER H . 50030 1 138 . 1 . 1 90 90 SER N N 15 112.972 . . 1 . . . . . 456 SER N . 50030 1 139 . 1 . 1 102 102 ILE H H 1 8.009 . . 1 . . . . . 468 ILE H . 50030 1 140 . 1 . 1 102 102 ILE N N 15 123.355 . . 1 . . . . . 468 ILE N . 50030 1 141 . 1 . 1 103 103 LEU H H 1 7.438 . . 1 . . . . . 469 LEU H . 50030 1 142 . 1 . 1 103 103 LEU N N 15 121.482 . . 1 . . . . . 469 LEU N . 50030 1 143 . 1 . 1 104 104 ILE H H 1 8.797 . . 1 . . . . . 470 ILE H . 50030 1 144 . 1 . 1 104 104 ILE N N 15 122.161 . . 1 . . . . . 470 ILE N . 50030 1 145 . 1 . 1 105 105 PHE H H 1 9.538 . . 1 . . . . . 471 PHE H . 50030 1 146 . 1 . 1 105 105 PHE N N 15 123.745 . . 1 . . . . . 471 PHE N . 50030 1 147 . 1 . 1 106 106 HIS H H 1 8.919 . . 1 . . . . . 472 HIS H . 50030 1 148 . 1 . 1 106 106 HIS N N 15 113.991 . . 1 . . . . . 472 HIS N . 50030 1 149 . 1 . 1 116 116 ARG H H 1 7.686 . . 1 . . . . . 482 ARG H . 50030 1 150 . 1 . 1 116 116 ARG N N 15 115.556 . . 1 . . . . . 482 ARG N . 50030 1 151 . 1 . 1 117 117 MET H H 1 8.001 . . 1 . . . . . 483 MET H . 50030 1 152 . 1 . 1 117 117 MET N N 15 121.068 . . 1 . . . . . 483 MET N . 50030 1 153 . 1 . 1 118 118 CYS H H 1 7.737 . . 1 . . . . . 484 CYS H . 50030 1 154 . 1 . 1 118 118 CYS N N 15 119.784 . . 1 . . . . . 484 CYS N . 50030 1 155 . 1 . 1 119 119 ARG H H 1 7.657 . . 1 . . . . . 485 ARG H . 50030 1 156 . 1 . 1 119 119 ARG N N 15 116.435 . . 1 . . . . . 485 ARG N . 50030 1 157 . 1 . 1 120 120 PHE H H 1 8.084 . . 1 . . . . . 486 PHE H . 50030 1 158 . 1 . 1 120 120 PHE N N 15 121.558 . . 1 . . . . . 486 PHE N . 50030 1 159 . 1 . 1 121 121 ILE H H 1 8.259 . . 1 . . . . . 487 ILE H . 50030 1 160 . 1 . 1 121 121 ILE N N 15 118.954 . . 1 . . . . . 487 ILE N . 50030 1 161 . 1 . 1 122 122 ARG H H 1 7.554 . . 1 . . . . . 488 ARG H . 50030 1 162 . 1 . 1 122 122 ARG N N 15 118.393 . . 1 . . . . . 488 ARG N . 50030 1 163 . 1 . 1 123 123 GLU H H 1 7.987 . . 1 . . . . . 489 GLU H . 50030 1 164 . 1 . 1 123 123 GLU N N 15 119.648 . . 1 . . . . . 489 GLU N . 50030 1 165 . 1 . 1 124 124 ARG H H 1 7.950 . . 1 . . . . . 490 ARG H . 50030 1 166 . 1 . 1 124 124 ARG N N 15 119.392 . . 1 . . . . . 490 ARG N . 50030 1 167 . 1 . 1 125 125 ASP H H 1 8.753 . . 1 . . . . . 491 ASP H . 50030 1 168 . 1 . 1 125 125 ASP N N 15 121.811 . . 1 . . . . . 491 ASP N . 50030 1 169 . 1 . 1 126 126 ARG H H 1 8.467 . . 1 . . . . . 492 ARG H . 50030 1 170 . 1 . 1 126 126 ARG N N 15 116.633 . . 1 . . . . . 492 ARG N . 50030 1 171 . 1 . 1 127 127 ALA H H 1 7.560 . . 1 . . . . . 493 ALA H . 50030 1 172 . 1 . 1 127 127 ALA N N 15 118.995 . . 1 . . . . . 493 ALA N . 50030 1 173 . 1 . 1 128 128 VAL H H 1 7.335 . . 1 . . . . . 494 VAL H . 50030 1 174 . 1 . 1 128 128 VAL N N 15 108.866 . . 1 . . . . . 494 VAL N . 50030 1 175 . 1 . 1 129 129 ASN H H 1 7.028 . . 1 . . . . . 495 ASN H . 50030 1 176 . 1 . 1 129 129 ASN N N 15 120.467 . . 1 . . . . . 495 ASN N . 50030 1 177 . 1 . 1 130 130 ASP H H 1 8.737 . . 1 . . . . . 496 ASP H . 50030 1 178 . 1 . 1 130 130 ASP N N 15 120.566 . . 1 . . . . . 496 ASP N . 50030 1 179 . 1 . 1 131 131 TYR H H 1 8.779 . . 1 . . . . . 497 TYR H . 50030 1 180 . 1 . 1 131 131 TYR N N 15 128.164 . . 1 . . . . . 497 TYR N . 50030 1 181 . 1 . 1 139 139 MET H H 1 9.851 . . 1 . . . . . 505 MET H . 50030 1 182 . 1 . 1 139 139 MET N N 15 116.152 . . 1 . . . . . 505 MET N . 50030 1 183 . 1 . 1 140 140 TYR H H 1 8.797 . . 1 . . . . . 506 TYR H . 50030 1 184 . 1 . 1 140 140 TYR N N 15 117.760 . . 1 . . . . . 506 TYR N . 50030 1 185 . 1 . 1 141 141 ILE H H 1 9.366 . . 1 . . . . . 507 ILE H . 50030 1 186 . 1 . 1 141 141 ILE N N 15 120.241 . . 1 . . . . . 507 ILE N . 50030 1 187 . 1 . 1 142 142 LEU H H 1 7.692 . . 1 . . . . . 508 LEU H . 50030 1 188 . 1 . 1 142 142 LEU N N 15 125.173 . . 1 . . . . . 508 LEU N . 50030 1 189 . 1 . 1 143 143 LYS H H 1 9.635 . . 1 . . . . . 509 LYS H . 50030 1 190 . 1 . 1 143 143 LYS N N 15 136.730 . . 1 . . . . . 509 LYS N . 50030 1 191 . 1 . 1 144 144 GLY H H 1 9.517 . . 1 . . . . . 510 GLY H . 50030 1 192 . 1 . 1 144 144 GLY N N 15 118.358 . . 1 . . . . . 510 GLY N . 50030 1 193 . 1 . 1 145 145 GLY H H 1 7.349 . . 1 . . . . . 511 GLY H . 50030 1 194 . 1 . 1 145 145 GLY N N 15 101.765 . . 1 . . . . . 511 GLY N . 50030 1 195 . 1 . 1 147 147 LYS H H 1 8.856 . . 1 . . . . . 513 LYS H . 50030 1 196 . 1 . 1 147 147 LYS N N 15 115.508 . . 1 . . . . . 513 LYS N . 50030 1 197 . 1 . 1 148 148 GLU H H 1 6.560 . . 1 . . . . . 514 GLU H . 50030 1 198 . 1 . 1 148 148 GLU N N 15 111.395 . . 1 . . . . . 514 GLU N . 50030 1 199 . 1 . 1 149 149 PHE H H 1 7.366 . . 1 . . . . . 515 PHE H . 50030 1 200 . 1 . 1 149 149 PHE N N 15 121.295 . . 1 . . . . . 515 PHE N . 50030 1 201 . 1 . 1 150 150 PHE H H 1 7.714 . . 1 . . . . . 516 PHE H . 50030 1 202 . 1 . 1 150 150 PHE N N 15 117.871 . . 1 . . . . . 516 PHE N . 50030 1 203 . 1 . 1 152 152 GLN H H 1 6.276 . . 1 . . . . . 518 GLN H . 50030 1 204 . 1 . 1 152 152 GLN N N 15 112.424 . . 1 . . . . . 518 GLN N . 50030 1 205 . 1 . 1 153 153 HIS H H 1 7.072 . . 1 . . . . . 519 HIS H . 50030 1 206 . 1 . 1 153 153 HIS N N 15 115.503 . . 1 . . . . . 519 HIS N . 50030 1 207 . 1 . 1 155 155 ASN H H 1 8.310 . . 1 . . . . . 521 ASN H . 50030 1 208 . 1 . 1 155 155 ASN N N 15 111.566 . . 1 . . . . . 521 ASN N . 50030 1 209 . 1 . 1 156 156 PHE H H 1 7.977 . . 1 . . . . . 522 PHE H . 50030 1 210 . 1 . 1 156 156 PHE N N 15 117.896 . . 1 . . . . . 522 PHE N . 50030 1 211 . 1 . 1 157 157 CYS H H 1 7.678 . . 1 . . . . . 523 CYS H . 50030 1 212 . 1 . 1 157 157 CYS N N 15 119.314 . . 1 . . . . . 523 CYS N . 50030 1 213 . 1 . 1 158 158 GLU H H 1 9.265 . . 1 . . . . . 524 GLU H . 50030 1 214 . 1 . 1 158 158 GLU N N 15 122.097 . . 1 . . . . . 524 GLU N . 50030 1 215 . 1 . 1 160 160 GLN H H 1 8.483 . . 1 . . . . . 526 GLN H . 50030 1 216 . 1 . 1 160 160 GLN N N 15 119.346 . . 1 . . . . . 526 GLN N . 50030 1 217 . 1 . 1 161 161 ASP H H 1 7.974 . . 1 . . . . . 527 ASP H . 50030 1 218 . 1 . 1 161 161 ASP N N 15 123.835 . . 1 . . . . . 527 ASP N . 50030 1 219 . 1 . 1 162 162 TYR H H 1 8.988 . . 1 . . . . . 528 TYR H . 50030 1 220 . 1 . 1 162 162 TYR N N 15 120.150 . . 1 . . . . . 528 TYR N . 50030 1 221 . 1 . 1 163 163 ARG H H 1 9.089 . . 1 . . . . . 529 ARG H . 50030 1 222 . 1 . 1 163 163 ARG N N 15 133.847 . . 1 . . . . . 529 ARG N . 50030 1 223 . 1 . 1 165 165 MET H H 1 8.361 . . 1 . . . . . 531 MET H . 50030 1 224 . 1 . 1 165 165 MET N N 15 122.796 . . 1 . . . . . 531 MET N . 50030 1 225 . 1 . 1 166 166 ASN H H 1 8.480 . . 1 . . . . . 532 ASN H . 50030 1 226 . 1 . 1 166 166 ASN N N 15 113.823 . . 1 . . . . . 532 ASN N . 50030 1 227 . 1 . 1 167 167 HIS H H 1 7.467 . . 1 . . . . . 533 HIS H . 50030 1 228 . 1 . 1 167 167 HIS N N 15 120.507 . . 1 . . . . . 533 HIS N . 50030 1 229 . 1 . 1 168 168 GLU H H 1 8.873 . . 1 . . . . . 534 GLU H . 50030 1 230 . 1 . 1 168 168 GLU N N 15 130.263 . . 1 . . . . . 534 GLU N . 50030 1 231 . 1 . 1 169 169 ALA H H 1 10.590 . . 1 . . . . . 535 ALA H . 50030 1 232 . 1 . 1 169 169 ALA N N 15 124.351 . . 1 . . . . . 535 ALA N . 50030 1 233 . 1 . 1 170 170 PHE H H 1 7.767 . . 1 . . . . . 536 PHE H . 50030 1 234 . 1 . 1 170 170 PHE N N 15 117.242 . . 1 . . . . . 536 PHE N . 50030 1 235 . 1 . 1 171 171 LYS H H 1 7.160 . . 1 . . . . . 537 LYS H . 50030 1 236 . 1 . 1 171 171 LYS N N 15 119.276 . . 1 . . . . . 537 LYS N . 50030 1 237 . 1 . 1 172 172 ASP H H 1 8.634 . . 1 . . . . . 538 ASP H . 50030 1 238 . 1 . 1 172 172 ASP N N 15 119.904 . . 1 . . . . . 538 ASP N . 50030 1 239 . 1 . 1 173 173 GLU H H 1 8.078 . . 1 . . . . . 539 GLU H . 50030 1 240 . 1 . 1 173 173 GLU N N 15 123.441 . . 1 . . . . . 539 GLU N . 50030 1 241 . 1 . 1 174 174 LEU H H 1 8.316 . . 1 . . . . . 540 LEU H . 50030 1 242 . 1 . 1 174 174 LEU N N 15 122.122 . . 1 . . . . . 540 LEU N . 50030 1 243 . 1 . 1 175 175 LYS H H 1 7.687 . . 1 . . . . . 541 LYS H . 50030 1 244 . 1 . 1 175 175 LYS N N 15 118.094 . . 1 . . . . . 541 LYS N . 50030 1 245 . 1 . 1 176 176 THR H H 1 7.952 . . 1 . . . . . 542 THR H . 50030 1 246 . 1 . 1 176 176 THR N N 15 114.364 . . 1 . . . . . 542 THR N . 50030 1 247 . 1 . 1 177 177 PHE H H 1 8.399 . . 1 . . . . . 543 PHE H . 50030 1 248 . 1 . 1 177 177 PHE N N 15 121.635 . . 1 . . . . . 543 PHE N . 50030 1 249 . 1 . 1 178 178 ARG H H 1 8.605 . . 1 . . . . . 544 ARG H . 50030 1 250 . 1 . 1 178 178 ARG N N 15 120.082 . . 1 . . . . . 544 ARG N . 50030 1 251 . 1 . 1 179 179 LEU H H 1 7.525 . . 1 . . . . . 545 LEU H . 50030 1 252 . 1 . 1 179 179 LEU N N 15 119.035 . . 1 . . . . . 545 LEU N . 50030 1 253 . 1 . 1 180 180 LYS H H 1 7.778 . . 1 . . . . . 546 LYS H . 50030 1 254 . 1 . 1 180 180 LYS N N 15 118.110 . . 1 . . . . . 546 LYS N . 50030 1 255 . 1 . 1 181 181 THR H H 1 7.562 . . 1 . . . . . 547 THR H . 50030 1 256 . 1 . 1 181 181 THR N N 15 109.881 . . 1 . . . . . 547 THR N . 50030 1 257 . 1 . 1 182 182 ARG H H 1 7.753 . . 1 . . . . . 548 ARG H . 50030 1 258 . 1 . 1 182 182 ARG N N 15 121.682 . . 1 . . . . . 548 ARG N . 50030 1 259 . 1 . 1 183 183 SER H H 1 8.200 . . 1 . . . . . 549 SER H . 50030 1 260 . 1 . 1 183 183 SER N N 15 116.060 . . 1 . . . . . 549 SER N . 50030 1 261 . 1 . 1 184 184 TRP H H 1 8.082 . . 1 . . . . . 550 TRP H . 50030 1 262 . 1 . 1 184 184 TRP HE1 H 1 10.169 . . 1 . . . . . 550 TRP HE1 . 50030 1 263 . 1 . 1 184 184 TRP N N 15 123.301 . . 1 . . . . . 550 TRP N . 50030 1 264 . 1 . 1 184 184 TRP NE1 N 15 129.757 . . 1 . . . . . 550 TRP NE1 . 50030 1 265 . 1 . 1 185 185 ALA H H 1 8.091 . . 1 . . . . . 551 ALA H . 50030 1 266 . 1 . 1 185 185 ALA N N 15 125.307 . . 1 . . . . . 551 ALA N . 50030 1 267 . 1 . 1 186 186 GLY H H 1 7.608 . . 1 . . . . . 552 GLY H . 50030 1 268 . 1 . 1 186 186 GLY N N 15 107.149 . . 1 . . . . . 552 GLY N . 50030 1 269 . 1 . 1 187 187 GLU H H 1 8.145 . . 1 . . . . . 553 GLU H . 50030 1 270 . 1 . 1 187 187 GLU N N 15 120.987 . . 1 . . . . . 553 GLU N . 50030 1 271 . 1 . 1 188 188 ARG H H 1 8.320 . . 1 . . . . . 554 ARG H . 50030 1 272 . 1 . 1 188 188 ARG N N 15 121.407 . . 1 . . . . . 554 ARG N . 50030 1 273 . 1 . 1 190 190 ARG H H 1 8.189 . . 1 . . . . . 556 ARG H . 50030 1 274 . 1 . 1 190 190 ARG N N 15 122.581 . . 1 . . . . . 556 ARG N . 50030 1 275 . 1 . 1 191 191 ARG H H 1 8.163 . . 1 . . . . . 557 ARG H . 50030 1 276 . 1 . 1 191 191 ARG N N 15 121.261 . . 1 . . . . . 557 ARG N . 50030 1 277 . 1 . 1 192 192 GLU H H 1 8.281 . . 1 . . . . . 558 GLU H . 50030 1 278 . 1 . 1 192 192 GLU N N 15 121.044 . . 1 . . . . . 558 GLU N . 50030 1 279 . 1 . 1 193 193 LEU H H 1 8.100 . . 1 . . . . . 559 LEU H . 50030 1 280 . 1 . 1 193 193 LEU N N 15 122.259 . . 1 . . . . . 559 LEU N . 50030 1 281 . 1 . 1 194 194 CYS H H 1 8.157 . . 1 . . . . . 560 CYS H . 50030 1 282 . 1 . 1 194 194 CYS N N 15 119.307 . . 1 . . . . . 560 CYS N . 50030 1 283 . 1 . 1 196 196 ARG H H 1 8.269 . . 1 . . . . . 562 ARG H . 50030 1 284 . 1 . 1 196 196 ARG N N 15 122.794 . . 1 . . . . . 562 ARG N . 50030 1 285 . 1 . 1 197 197 LEU H H 1 8.144 . . 1 . . . . . 563 LEU H . 50030 1 286 . 1 . 1 197 197 LEU N N 15 122.724 . . 1 . . . . . 563 LEU N . 50030 1 287 . 1 . 1 198 198 GLN H H 1 8.208 . . 1 . . . . . 564 GLN H . 50030 1 288 . 1 . 1 198 198 GLN N N 15 119.858 . . 1 . . . . . 564 GLN N . 50030 1 289 . 1 . 1 199 199 ASP H H 1 8.215 . . 1 . . . . . 565 ASP H . 50030 1 290 . 1 . 1 199 199 ASP N N 15 121.417 . . 1 . . . . . 565 ASP N . 50030 1 291 . 1 . 1 200 200 GLN H H 1 7.739 . . 1 . . . . . 566 GLN H . 50030 1 292 . 1 . 1 200 200 GLN N N 15 124.562 . . 1 . . . . . 566 GLN N . 50030 1 stop_ save_