################################### # 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 50032 _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' . . . 50032 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 22 22 GLU H H 1 8.244 . . 1 . . . . . 370 GLU H . 50032 1 2 . 1 . 1 22 22 GLU N N 15 121.920 . . 1 . . . . . 370 GLU N . 50032 1 3 . 1 . 1 23 23 PHE H H 1 8.125 . . 1 . . . . . 371 PHE H . 50032 1 4 . 1 . 1 23 23 PHE N N 15 120.630 . . 1 . . . . . 371 PHE N . 50032 1 5 . 1 . 1 24 24 GLN H H 1 8.188 . . 1 . . . . . 372 GLN H . 50032 1 6 . 1 . 1 24 24 GLN N N 15 121.887 . . 1 . . . . . 372 GLN N . 50032 1 7 . 1 . 1 25 25 SER H H 1 8.243 . . 1 . . . . . 373 SER H . 50032 1 8 . 1 . 1 25 25 SER N N 15 117.105 . . 1 . . . . . 373 SER N . 50032 1 9 . 1 . 1 26 26 ASP H H 1 8.245 . . 1 . . . . . 374 ASP H . 50032 1 10 . 1 . 1 26 26 ASP N N 15 121.868 . . 1 . . . . . 374 ASP N . 50032 1 11 . 1 . 1 27 27 HIS H H 1 8.256 . . 1 . . . . . 375 HIS H . 50032 1 12 . 1 . 1 27 27 HIS N N 15 119.816 . . 1 . . . . . 375 HIS N . 50032 1 13 . 1 . 1 28 28 ARG H H 1 8.131 . . 1 . . . . . 376 ARG H . 50032 1 14 . 1 . 1 28 28 ARG N N 15 121.442 . . 1 . . . . . 376 ARG N . 50032 1 15 . 1 . 1 29 29 GLU H H 1 8.604 . . 1 . . . . . 377 GLU H . 50032 1 16 . 1 . 1 29 29 GLU N N 15 120.999 . . 1 . . . . . 377 GLU N . 50032 1 17 . 1 . 1 41 41 GLN H H 1 8.447 . . 1 . . . . . 389 GLN H . 50032 1 18 . 1 . 1 41 41 GLN N N 15 120.765 . . 1 . . . . . 389 GLN N . 50032 1 19 . 1 . 1 42 42 THR H H 1 8.007 . . 1 . . . . . 390 THR H . 50032 1 20 . 1 . 1 42 42 THR N N 15 114.924 . . 1 . . . . . 390 THR N . 50032 1 21 . 1 . 1 43 43 VAL H H 1 8.242 . . 1 . . . . . 391 VAL H . 50032 1 22 . 1 . 1 43 43 VAL N N 15 113.558 . . 1 . . . . . 391 VAL N . 50032 1 23 . 1 . 1 44 44 ASP H H 1 8.279 . . 1 . . . . . 392 ASP H . 50032 1 24 . 1 . 1 44 44 ASP N N 15 121.357 . . 1 . . . . . 392 ASP N . 50032 1 25 . 1 . 1 45 45 GLY H H 1 7.654 . . 1 . . . . . 393 GLY H . 50032 1 26 . 1 . 1 45 45 GLY N N 15 108.647 . . 1 . . . . . 393 GLY N . 50032 1 27 . 1 . 1 46 46 LYS H H 1 7.653 . . 1 . . . . . 394 LYS H . 50032 1 28 . 1 . 1 46 46 LYS N N 15 119.361 . . 1 . . . . . 394 LYS N . 50032 1 29 . 1 . 1 47 47 HIS H H 1 7.917 . . 1 . . . . . 395 HIS H . 50032 1 30 . 1 . 1 47 47 HIS N N 15 115.697 . . 1 . . . . . 395 HIS N . 50032 1 31 . 1 . 1 48 48 GLN H H 1 8.960 . . 1 . . . . . 396 GLN H . 50032 1 32 . 1 . 1 48 48 GLN N N 15 123.676 . . 1 . . . . . 396 GLN N . 50032 1 33 . 1 . 1 49 49 ASP H H 1 9.351 . . 1 . . . . . 397 ASP H . 50032 1 34 . 1 . 1 49 49 ASP N N 15 114.635 . . 1 . . . . . 397 ASP N . 50032 1 35 . 1 . 1 50 50 LEU H H 1 7.373 . . 1 . . . . . 398 LEU H . 50032 1 36 . 1 . 1 50 50 LEU N N 15 120.344 . . 1 . . . . . 398 LEU N . 50032 1 37 . 1 . 1 51 51 LYS H H 1 8.463 . . 1 . . . . . 399 LYS H . 50032 1 38 . 1 . 1 51 51 LYS N N 15 118.691 . . 1 . . . . . 399 LYS N . 50032 1 39 . 1 . 1 52 52 TYR H H 1 8.836 . . 1 . . . . . 400 TYR H . 50032 1 40 . 1 . 1 52 52 TYR N N 15 122.084 . . 1 . . . . . 400 TYR N . 50032 1 41 . 1 . 1 53 53 ILE H H 1 8.767 . . 1 . . . . . 401 ILE H . 50032 1 42 . 1 . 1 53 53 ILE N N 15 110.022 . . 1 . . . . . 401 ILE N . 50032 1 43 . 1 . 1 54 54 SER H H 1 8.715 . . 1 . . . . . 402 SER H . 50032 1 44 . 1 . 1 54 54 SER N N 15 116.832 . . 1 . . . . . 402 SER N . 50032 1 45 . 1 . 1 56 56 GLU H H 1 8.277 . . 1 . . . . . 404 GLU H . 50032 1 46 . 1 . 1 56 56 GLU N N 15 116.279 . . 1 . . . . . 404 GLU N . 50032 1 47 . 1 . 1 57 57 THR H H 1 7.795 . . 1 . . . . . 405 THR H . 50032 1 48 . 1 . 1 57 57 THR N N 15 121.688 . . 1 . . . . . 405 THR N . 50032 1 49 . 1 . 1 58 58 MET H H 1 7.669 . . 1 . . . . . 406 MET H . 50032 1 50 . 1 . 1 58 58 MET N N 15 121.856 . . 1 . . . . . 406 MET N . 50032 1 51 . 1 . 1 59 59 VAL H H 1 8.016 . . 1 . . . . . 407 VAL H . 50032 1 52 . 1 . 1 59 59 VAL N N 15 119.308 . . 1 . . . . . 407 VAL N . 50032 1 53 . 1 . 1 60 60 ALA H H 1 7.661 . . 1 . . . . . 408 ALA H . 50032 1 54 . 1 . 1 60 60 ALA N N 15 125.068 . . 1 . . . . . 408 ALA N . 50032 1 55 . 1 . 1 61 61 LEU H H 1 7.678 . . 1 . . . . . 409 LEU H . 50032 1 56 . 1 . 1 61 61 LEU N N 15 118.286 . . 1 . . . . . 409 LEU N . 50032 1 57 . 1 . 1 62 62 LEU H H 1 8.032 . . 1 . . . . . 410 LEU H . 50032 1 58 . 1 . 1 62 62 LEU N N 15 119.715 . . 1 . . . . . 410 LEU N . 50032 1 59 . 1 . 1 63 63 THR H H 1 7.907 . . 1 . . . . . 411 THR H . 50032 1 60 . 1 . 1 63 63 THR N N 15 107.368 . . 1 . . . . . 411 THR N . 50032 1 61 . 1 . 1 64 64 GLY H H 1 7.588 . . 1 . . . . . 412 GLY H . 50032 1 62 . 1 . 1 64 64 GLY N N 15 108.182 . . 1 . . . . . 412 GLY N . 50032 1 63 . 1 . 1 65 65 LYS H H 1 8.161 . . 1 . . . . . 413 LYS H . 50032 1 64 . 1 . 1 65 65 LYS N N 15 119.321 . . 1 . . . . . 413 LYS N . 50032 1 65 . 1 . 1 66 66 PHE H H 1 8.341 . . 1 . . . . . 414 PHE H . 50032 1 66 . 1 . 1 66 66 PHE N N 15 114.047 . . 1 . . . . . 414 PHE N . 50032 1 67 . 1 . 1 67 67 SER H H 1 7.591 . . 1 . . . . . 415 SER H . 50032 1 68 . 1 . 1 67 67 SER N N 15 118.006 . . 1 . . . . . 415 SER N . 50032 1 69 . 1 . 1 68 68 ASN H H 1 8.636 . . 1 . . . . . 416 ASN H . 50032 1 70 . 1 . 1 68 68 ASN N N 15 117.151 . . 1 . . . . . 416 ASN N . 50032 1 71 . 1 . 1 71 71 ASP H H 1 9.139 . . 1 . . . . . 419 ASP H . 50032 1 72 . 1 . 1 71 71 ASP N N 15 128.668 . . 1 . . . . . 419 ASP N . 50032 1 73 . 1 . 1 73 73 PHE H H 1 7.943 . . 1 . . . . . 421 PHE H . 50032 1 74 . 1 . 1 73 73 PHE N N 15 118.427 . . 1 . . . . . 421 PHE N . 50032 1 75 . 1 . 1 74 74 VAL H H 1 7.943 . . 1 . . . . . 422 VAL H . 50032 1 76 . 1 . 1 74 74 VAL N N 15 121.434 . . 1 . . . . . 422 VAL N . 50032 1 77 . 1 . 1 75 75 ILE H H 1 8.944 . . 1 . . . . . 423 ILE H . 50032 1 78 . 1 . 1 75 75 ILE N N 15 128.051 . . 1 . . . . . 423 ILE N . 50032 1 79 . 1 . 1 76 76 VAL H H 1 9.433 . . 1 . . . . . 424 VAL H . 50032 1 80 . 1 . 1 76 76 VAL N N 15 128.807 . . 1 . . . . . 424 VAL N . 50032 1 81 . 1 . 1 77 77 ASP H H 1 8.683 . . 1 . . . . . 425 ASP H . 50032 1 82 . 1 . 1 77 77 ASP N N 15 127.269 . . 1 . . . . . 425 ASP N . 50032 1 83 . 1 . 1 78 78 CYS H H 1 8.259 . . 1 . . . . . 426 CYS H . 50032 1 84 . 1 . 1 78 78 CYS N N 15 124.616 . . 1 . . . . . 426 CYS N . 50032 1 85 . 1 . 1 79 79 ARG H H 1 7.605 . . 1 . . . . . 427 ARG H . 50032 1 86 . 1 . 1 79 79 ARG N N 15 117.319 . . 1 . . . . . 427 ARG N . 50032 1 87 . 1 . 1 80 80 TYR H H 1 7.592 . . 1 . . . . . 428 TYR H . 50032 1 88 . 1 . 1 80 80 TYR N N 15 118.216 . . 1 . . . . . 428 TYR N . 50032 1 89 . 1 . 1 82 82 TYR H H 1 7.015 . . 1 . . . . . 430 TYR H . 50032 1 90 . 1 . 1 82 82 TYR N N 15 110.386 . . 1 . . . . . 430 TYR N . 50032 1 91 . 1 . 1 83 83 GLU H H 1 6.119 . . 1 . . . . . 431 GLU H . 50032 1 92 . 1 . 1 83 83 GLU N N 15 123.379 . . 1 . . . . . 431 GLU N . 50032 1 93 . 1 . 1 84 84 TYR H H 1 6.973 . . 1 . . . . . 432 TYR H . 50032 1 94 . 1 . 1 84 84 TYR N N 15 120.674 . . 1 . . . . . 432 TYR N . 50032 1 95 . 1 . 1 85 85 GLU H H 1 9.083 . . 1 . . . . . 433 GLU H . 50032 1 96 . 1 . 1 85 85 GLU N N 15 120.799 . . 1 . . . . . 433 GLU N . 50032 1 97 . 1 . 1 86 86 GLY H H 1 6.945 . . 1 . . . . . 434 GLY H . 50032 1 98 . 1 . 1 86 86 GLY N N 15 103.904 . . 1 . . . . . 434 GLY N . 50032 1 99 . 1 . 1 87 87 GLY H H 1 6.460 . . 1 . . . . . 435 GLY H . 50032 1 100 . 1 . 1 87 87 GLY N N 15 106.559 . . 1 . . . . . 435 GLY N . 50032 1 101 . 1 . 1 88 88 HIS H H 1 7.532 . . 1 . . . . . 436 HIS H . 50032 1 102 . 1 . 1 88 88 HIS N N 15 123.891 . . 1 . . . . . 436 HIS N . 50032 1 103 . 1 . 1 89 89 ILE H H 1 10.595 . . 1 . . . . . 437 ILE H . 50032 1 104 . 1 . 1 89 89 ILE N N 15 123.848 . . 1 . . . . . 437 ILE N . 50032 1 105 . 1 . 1 91 91 THR H H 1 8.759 . . 1 . . . . . 439 THR H . 50032 1 106 . 1 . 1 91 91 THR N N 15 113.533 . . 1 . . . . . 439 THR N . 50032 1 107 . 1 . 1 92 92 ALA H H 1 8.647 . . 1 . . . . . 440 ALA H . 50032 1 108 . 1 . 1 92 92 ALA N N 15 125.852 . . 1 . . . . . 440 ALA N . 50032 1 109 . 1 . 1 93 93 VAL H H 1 8.979 . . 1 . . . . . 441 VAL H . 50032 1 110 . 1 . 1 93 93 VAL N N 15 121.144 . . 1 . . . . . 441 VAL N . 50032 1 111 . 1 . 1 94 94 ASN H H 1 8.449 . . 1 . . . . . 442 ASN H . 50032 1 112 . 1 . 1 94 94 ASN N N 15 124.774 . . 1 . . . . . 442 ASN N . 50032 1 113 . 1 . 1 95 95 LEU H H 1 7.025 . . 1 . . . . . 443 LEU H . 50032 1 114 . 1 . 1 95 95 LEU N N 15 124.292 . . 1 . . . . . 443 LEU N . 50032 1 115 . 1 . 1 97 97 LEU H H 1 7.362 . . 1 . . . . . 445 LEU H . 50032 1 116 . 1 . 1 97 97 LEU N N 15 114.737 . . 1 . . . . . 445 LEU N . 50032 1 117 . 1 . 1 98 98 GLU H H 1 9.131 . . 1 . . . . . 446 GLU H . 50032 1 118 . 1 . 1 98 98 GLU N N 15 125.240 . . 1 . . . . . 446 GLU N . 50032 1 119 . 1 . 1 99 99 ARG H H 1 8.411 . . 1 . . . . . 447 ARG H . 50032 1 120 . 1 . 1 99 99 ARG N N 15 115.501 . . 1 . . . . . 447 ARG N . 50032 1 121 . 1 . 1 100 100 ASP H H 1 6.874 . . 1 . . . . . 448 ASP H . 50032 1 122 . 1 . 1 100 100 ASP N N 15 118.991 . . 1 . . . . . 448 ASP N . 50032 1 123 . 1 . 1 101 101 ALA H H 1 8.119 . . 1 . . . . . 449 ALA H . 50032 1 124 . 1 . 1 101 101 ALA N N 15 123.415 . . 1 . . . . . 449 ALA N . 50032 1 125 . 1 . 1 102 102 GLU H H 1 8.988 . . 1 . . . . . 450 GLU H . 50032 1 126 . 1 . 1 102 102 GLU N N 15 118.552 . . 1 . . . . . 450 GLU N . 50032 1 127 . 1 . 1 103 103 SER H H 1 7.860 . . 1 . . . . . 451 SER H . 50032 1 128 . 1 . 1 103 103 SER N N 15 113.800 . . 1 . . . . . 451 SER N . 50032 1 129 . 1 . 1 104 104 PHE H H 1 8.173 . . 1 . . . . . 452 PHE H . 50032 1 130 . 1 . 1 104 104 PHE N N 15 119.618 . . 1 . . . . . 452 PHE N . 50032 1 131 . 1 . 1 105 105 LEU H H 1 8.185 . . 1 . . . . . 453 LEU H . 50032 1 132 . 1 . 1 105 105 LEU N N 15 111.951 . . 1 . . . . . 453 LEU N . 50032 1 133 . 1 . 1 106 106 LEU H H 1 8.181 . . 1 . . . . . 454 LEU H . 50032 1 134 . 1 . 1 106 106 LEU N N 15 117.125 . . 1 . . . . . 454 LEU N . 50032 1 135 . 1 . 1 107 107 LYS H H 1 7.188 . . 1 . . . . . 455 LYS H . 50032 1 136 . 1 . 1 107 107 LYS N N 15 120.986 . . 1 . . . . . 455 LYS N . 50032 1 137 . 1 . 1 108 108 SER H H 1 7.771 . . 1 . . . . . 456 SER H . 50032 1 138 . 1 . 1 108 108 SER N N 15 112.976 . . 1 . . . . . 456 SER N . 50032 1 139 . 1 . 1 120 120 ILE H H 1 8.015 . . 1 . . . . . 468 ILE H . 50032 1 140 . 1 . 1 120 120 ILE N N 15 123.354 . . 1 . . . . . 468 ILE N . 50032 1 141 . 1 . 1 121 121 LEU H H 1 7.443 . . 1 . . . . . 469 LEU H . 50032 1 142 . 1 . 1 121 121 LEU N N 15 121.508 . . 1 . . . . . 469 LEU N . 50032 1 143 . 1 . 1 122 122 ILE H H 1 8.804 . . 1 . . . . . 470 ILE H . 50032 1 144 . 1 . 1 122 122 ILE N N 15 122.155 . . 1 . . . . . 470 ILE N . 50032 1 145 . 1 . 1 123 123 PHE H H 1 9.542 . . 1 . . . . . 471 PHE H . 50032 1 146 . 1 . 1 123 123 PHE N N 15 123.732 . . 1 . . . . . 471 PHE N . 50032 1 147 . 1 . 1 124 124 HIS H H 1 8.920 . . 1 . . . . . 472 HIS H . 50032 1 148 . 1 . 1 124 124 HIS N N 15 113.945 . . 1 . . . . . 472 HIS N . 50032 1 149 . 1 . 1 134 134 ARG H H 1 7.695 . . 1 . . . . . 482 ARG H . 50032 1 150 . 1 . 1 134 134 ARG N N 15 115.608 . . 1 . . . . . 482 ARG N . 50032 1 151 . 1 . 1 135 135 MET H H 1 7.990 . . 1 . . . . . 483 MET H . 50032 1 152 . 1 . 1 135 135 MET N N 15 121.049 . . 1 . . . . . 483 MET N . 50032 1 153 . 1 . 1 136 136 CYS H H 1 7.723 . . 1 . . . . . 484 CYS H . 50032 1 154 . 1 . 1 136 136 CYS N N 15 119.799 . . 1 . . . . . 484 CYS N . 50032 1 155 . 1 . 1 137 137 ARG H H 1 7.667 . . 1 . . . . . 485 ARG H . 50032 1 156 . 1 . 1 137 137 ARG N N 15 116.440 . . 1 . . . . . 485 ARG N . 50032 1 157 . 1 . 1 138 138 PHE H H 1 8.089 . . 1 . . . . . 486 PHE H . 50032 1 158 . 1 . 1 138 138 PHE N N 15 121.512 . . 1 . . . . . 486 PHE N . 50032 1 159 . 1 . 1 139 139 ILE H H 1 8.255 . . 1 . . . . . 487 ILE H . 50032 1 160 . 1 . 1 139 139 ILE N N 15 118.944 . . 1 . . . . . 487 ILE N . 50032 1 161 . 1 . 1 140 140 ARG H H 1 7.553 . . 1 . . . . . 488 ARG H . 50032 1 162 . 1 . 1 140 140 ARG N N 15 118.445 . . 1 . . . . . 488 ARG N . 50032 1 163 . 1 . 1 141 141 GLU H H 1 7.987 . . 1 . . . . . 489 GLU H . 50032 1 164 . 1 . 1 141 141 GLU N N 15 119.644 . . 1 . . . . . 489 GLU N . 50032 1 165 . 1 . 1 142 142 ARG H H 1 7.954 . . 1 . . . . . 490 ARG H . 50032 1 166 . 1 . 1 142 142 ARG N N 15 119.388 . . 1 . . . . . 490 ARG N . 50032 1 167 . 1 . 1 143 143 ASP H H 1 8.755 . . 1 . . . . . 491 ASP H . 50032 1 168 . 1 . 1 143 143 ASP N N 15 121.818 . . 1 . . . . . 491 ASP N . 50032 1 169 . 1 . 1 144 144 ARG H H 1 8.468 . . 1 . . . . . 492 ARG H . 50032 1 170 . 1 . 1 144 144 ARG N N 15 116.621 . . 1 . . . . . 492 ARG N . 50032 1 171 . 1 . 1 145 145 ALA H H 1 7.563 . . 1 . . . . . 493 ALA H . 50032 1 172 . 1 . 1 145 145 ALA N N 15 118.978 . . 1 . . . . . 493 ALA N . 50032 1 173 . 1 . 1 146 146 VAL H H 1 7.337 . . 1 . . . . . 494 VAL H . 50032 1 174 . 1 . 1 146 146 VAL N N 15 108.872 . . 1 . . . . . 494 VAL N . 50032 1 175 . 1 . 1 147 147 ASN H H 1 7.030 . . 1 . . . . . 495 ASN H . 50032 1 176 . 1 . 1 147 147 ASN N N 15 120.462 . . 1 . . . . . 495 ASN N . 50032 1 177 . 1 . 1 148 148 ASP H H 1 8.740 . . 1 . . . . . 496 ASP H . 50032 1 178 . 1 . 1 148 148 ASP N N 15 120.576 . . 1 . . . . . 496 ASP N . 50032 1 179 . 1 . 1 149 149 TYR H H 1 8.782 . . 1 . . . . . 497 TYR H . 50032 1 180 . 1 . 1 149 149 TYR N N 15 128.177 . . 1 . . . . . 497 TYR N . 50032 1 181 . 1 . 1 157 157 MET H H 1 9.852 . . 1 . . . . . 505 MET H . 50032 1 182 . 1 . 1 157 157 MET N N 15 116.145 . . 1 . . . . . 505 MET N . 50032 1 183 . 1 . 1 158 158 TYR H H 1 8.802 . . 1 . . . . . 506 TYR H . 50032 1 184 . 1 . 1 158 158 TYR N N 15 117.739 . . 1 . . . . . 506 TYR N . 50032 1 185 . 1 . 1 159 159 ILE H H 1 9.372 . . 1 . . . . . 507 ILE H . 50032 1 186 . 1 . 1 159 159 ILE N N 15 120.240 . . 1 . . . . . 507 ILE N . 50032 1 187 . 1 . 1 160 160 LEU H H 1 7.697 . . 1 . . . . . 508 LEU H . 50032 1 188 . 1 . 1 160 160 LEU N N 15 125.166 . . 1 . . . . . 508 LEU N . 50032 1 189 . 1 . 1 161 161 LYS H H 1 9.637 . . 1 . . . . . 509 LYS H . 50032 1 190 . 1 . 1 161 161 LYS N N 15 136.780 . . 1 . . . . . 509 LYS N . 50032 1 191 . 1 . 1 162 162 GLY H H 1 9.522 . . 1 . . . . . 510 GLY H . 50032 1 192 . 1 . 1 162 162 GLY N N 15 118.373 . . 1 . . . . . 510 GLY N . 50032 1 193 . 1 . 1 163 163 GLY H H 1 7.360 . . 1 . . . . . 511 GLY H . 50032 1 194 . 1 . 1 163 163 GLY N N 15 101.769 . . 1 . . . . . 511 GLY N . 50032 1 195 . 1 . 1 165 165 LYS H H 1 8.849 . . 1 . . . . . 513 LYS H . 50032 1 196 . 1 . 1 165 165 LYS N N 15 115.481 . . 1 . . . . . 513 LYS N . 50032 1 197 . 1 . 1 166 166 GLU H H 1 6.568 . . 1 . . . . . 514 GLU H . 50032 1 198 . 1 . 1 166 166 GLU N N 15 111.385 . . 1 . . . . . 514 GLU N . 50032 1 199 . 1 . 1 167 167 PHE H H 1 7.367 . . 1 . . . . . 515 PHE H . 50032 1 200 . 1 . 1 167 167 PHE N N 15 121.260 . . 1 . . . . . 515 PHE N . 50032 1 201 . 1 . 1 168 168 PHE H H 1 7.721 . . 1 . . . . . 516 PHE H . 50032 1 202 . 1 . 1 168 168 PHE N N 15 117.800 . . 1 . . . . . 516 PHE N . 50032 1 203 . 1 . 1 170 170 GLN H H 1 6.278 . . 1 . . . . . 518 GLN H . 50032 1 204 . 1 . 1 170 170 GLN N N 15 112.260 . . 1 . . . . . 518 GLN N . 50032 1 205 . 1 . 1 171 171 HIS H H 1 7.083 . . 1 . . . . . 519 HIS H . 50032 1 206 . 1 . 1 171 171 HIS N N 15 115.503 . . 1 . . . . . 519 HIS N . 50032 1 207 . 1 . 1 173 173 ASN H H 1 8.316 . . 1 . . . . . 521 ASN H . 50032 1 208 . 1 . 1 173 173 ASN N N 15 111.588 . . 1 . . . . . 521 ASN N . 50032 1 209 . 1 . 1 174 174 PHE H H 1 7.988 . . 1 . . . . . 522 PHE H . 50032 1 210 . 1 . 1 174 174 PHE N N 15 117.969 . . 1 . . . . . 522 PHE N . 50032 1 211 . 1 . 1 175 175 CYS H H 1 7.684 . . 1 . . . . . 523 CYS H . 50032 1 212 . 1 . 1 175 175 CYS N N 15 119.311 . . 1 . . . . . 523 CYS N . 50032 1 213 . 1 . 1 176 176 GLU H H 1 9.268 . . 1 . . . . . 524 GLU H . 50032 1 214 . 1 . 1 176 176 GLU N N 15 122.092 . . 1 . . . . . 524 GLU N . 50032 1 215 . 1 . 1 178 178 GLN H H 1 8.485 . . 1 . . . . . 526 GLN H . 50032 1 216 . 1 . 1 178 178 GLN N N 15 119.316 . . 1 . . . . . 526 GLN N . 50032 1 217 . 1 . 1 179 179 ASP H H 1 7.972 . . 1 . . . . . 527 ASP H . 50032 1 218 . 1 . 1 179 179 ASP N N 15 123.838 . . 1 . . . . . 527 ASP N . 50032 1 219 . 1 . 1 180 180 TYR H H 1 9.000 . . 1 . . . . . 528 TYR H . 50032 1 220 . 1 . 1 180 180 TYR N N 15 120.188 . . 1 . . . . . 528 TYR N . 50032 1 221 . 1 . 1 181 181 ARG H H 1 9.101 . . 1 . . . . . 529 ARG H . 50032 1 222 . 1 . 1 181 181 ARG N N 15 133.770 . . 1 . . . . . 529 ARG N . 50032 1 223 . 1 . 1 183 183 MET H H 1 8.381 . . 1 . . . . . 531 MET H . 50032 1 224 . 1 . 1 183 183 MET N N 15 122.518 . . 1 . . . . . 531 MET N . 50032 1 225 . 1 . 1 184 184 ASN H H 1 8.446 . . 1 . . . . . 532 ASN H . 50032 1 226 . 1 . 1 184 184 ASN N N 15 113.839 . . 1 . . . . . 532 ASN N . 50032 1 227 . 1 . 1 185 185 HIS H H 1 7.475 . . 1 . . . . . 533 HIS H . 50032 1 228 . 1 . 1 185 185 HIS N N 15 120.463 . . 1 . . . . . 533 HIS N . 50032 1 229 . 1 . 1 186 186 GLU H H 1 8.841 . . 1 . . . . . 534 GLU H . 50032 1 230 . 1 . 1 186 186 GLU N N 15 129.932 . . 1 . . . . . 534 GLU N . 50032 1 231 . 1 . 1 187 187 ALA H H 1 10.520 . . 1 . . . . . 535 ALA H . 50032 1 232 . 1 . 1 187 187 ALA N N 15 124.376 . . 1 . . . . . 535 ALA N . 50032 1 233 . 1 . 1 188 188 PHE H H 1 7.768 . . 1 . . . . . 536 PHE H . 50032 1 234 . 1 . 1 188 188 PHE N N 15 117.327 . . 1 . . . . . 536 PHE N . 50032 1 235 . 1 . 1 189 189 LYS H H 1 7.193 . . 1 . . . . . 537 LYS H . 50032 1 236 . 1 . 1 189 189 LYS N N 15 119.416 . . 1 . . . . . 537 LYS N . 50032 1 237 . 1 . 1 190 190 ASP H H 1 8.604 . . 1 . . . . . 538 ASP H . 50032 1 238 . 1 . 1 190 190 ASP N N 15 119.537 . . 1 . . . . . 538 ASP N . 50032 1 239 . 1 . 1 191 191 GLU H H 1 8.070 . . 1 . . . . . 539 GLU H . 50032 1 240 . 1 . 1 191 191 GLU N N 15 123.195 . . 1 . . . . . 539 GLU N . 50032 1 241 . 1 . 1 192 192 LEU H H 1 8.320 . . 1 . . . . . 540 LEU H . 50032 1 242 . 1 . 1 192 192 LEU N N 15 122.051 . . 1 . . . . . 540 LEU N . 50032 1 243 . 1 . 1 193 193 LYS H H 1 7.682 . . 1 . . . . . 541 LYS H . 50032 1 244 . 1 . 1 193 193 LYS N N 15 117.730 . . 1 . . . . . 541 LYS N . 50032 1 245 . 1 . 1 194 194 THR H H 1 7.787 . . 1 . . . . . 542 THR H . 50032 1 246 . 1 . 1 194 194 THR N N 15 113.651 . . 1 . . . . . 542 THR N . 50032 1 247 . 1 . 1 197 197 LEU H H 1 7.505 . . 1 . . . . . 545 LEU H . 50032 1 248 . 1 . 1 197 197 LEU N N 15 117.484 . . 1 . . . . . 545 LEU N . 50032 1 249 . 1 . 1 198 198 LYS H H 1 7.743 . . 1 . . . . . 546 LYS H . 50032 1 250 . 1 . 1 198 198 LYS N N 15 118.523 . . 1 . . . . . 546 LYS N . 50032 1 251 . 1 . 1 199 199 THR H H 1 7.662 . . 1 . . . . . 547 THR H . 50032 1 252 . 1 . 1 199 199 THR N N 15 109.916 . . 1 . . . . . 547 THR N . 50032 1 253 . 1 . 1 200 200 ARG H H 1 7.789 . . 1 . . . . . 548 ARG H . 50032 1 254 . 1 . 1 200 200 ARG N N 15 121.504 . . 1 . . . . . 548 ARG N . 50032 1 255 . 1 . 1 201 201 SER H H 1 8.230 . . 1 . . . . . 549 SER H . 50032 1 256 . 1 . 1 201 201 SER N N 15 115.882 . . 1 . . . . . 549 SER N . 50032 1 257 . 1 . 1 202 202 TRP H H 1 8.062 . . 1 . . . . . 550 TRP H . 50032 1 258 . 1 . 1 202 202 TRP HE1 H 1 10.180 . . 1 . . . . . 550 TRP HE1 . 50032 1 259 . 1 . 1 202 202 TRP N N 15 123.078 . . 1 . . . . . 550 TRP N . 50032 1 260 . 1 . 1 202 202 TRP NE1 N 15 129.727 . . 1 . . . . . 550 TRP NE1 . 50032 1 261 . 1 . 1 203 203 ALA H H 1 8.105 . . 1 . . . . . 551 ALA H . 50032 1 262 . 1 . 1 203 203 ALA N N 15 125.459 . . 1 . . . . . 551 ALA N . 50032 1 263 . 1 . 1 204 204 GLY H H 1 7.568 . . 1 . . . . . 552 GLY H . 50032 1 264 . 1 . 1 204 204 GLY N N 15 107.077 . . 1 . . . . . 552 GLY N . 50032 1 265 . 1 . 1 205 205 GLU H H 1 8.146 . . 1 . . . . . 553 GLU H . 50032 1 266 . 1 . 1 205 205 GLU N N 15 121.105 . . 1 . . . . . 553 GLU N . 50032 1 267 . 1 . 1 206 206 ARG H H 1 8.320 . . 1 . . . . . 554 ARG H . 50032 1 268 . 1 . 1 206 206 ARG N N 15 121.352 . . 1 . . . . . 554 ARG N . 50032 1 269 . 1 . 1 208 208 ARG H H 1 8.195 . . 1 . . . . . 556 ARG H . 50032 1 270 . 1 . 1 208 208 ARG N N 15 122.632 . . 1 . . . . . 556 ARG N . 50032 1 271 . 1 . 1 209 209 ARG H H 1 8.174 . . 1 . . . . . 557 ARG H . 50032 1 272 . 1 . 1 209 209 ARG N N 15 121.269 . . 1 . . . . . 557 ARG N . 50032 1 273 . 1 . 1 210 210 GLU H H 1 8.269 . . 1 . . . . . 558 GLU H . 50032 1 274 . 1 . 1 210 210 GLU N N 15 120.694 . . 1 . . . . . 558 GLU N . 50032 1 275 . 1 . 1 211 211 LEU H H 1 8.061 . . 1 . . . . . 559 LEU H . 50032 1 276 . 1 . 1 211 211 LEU N N 15 121.865 . . 1 . . . . . 559 LEU N . 50032 1 277 . 1 . 1 212 212 CYS H H 1 8.121 . . 1 . . . . . 560 CYS H . 50032 1 278 . 1 . 1 212 212 CYS N N 15 119.088 . . 1 . . . . . 560 CYS N . 50032 1 279 . 1 . 1 214 214 ARG H H 1 8.234 . . 1 . . . . . 562 ARG H . 50032 1 280 . 1 . 1 214 214 ARG N N 15 122.686 . . 1 . . . . . 562 ARG N . 50032 1 281 . 1 . 1 215 215 LEU H H 1 8.133 . . 1 . . . . . 563 LEU H . 50032 1 282 . 1 . 1 215 215 LEU N N 15 122.651 . . 1 . . . . . 563 LEU N . 50032 1 283 . 1 . 1 216 216 GLN H H 1 8.206 . . 1 . . . . . 564 GLN H . 50032 1 284 . 1 . 1 216 216 GLN N N 15 119.861 . . 1 . . . . . 564 GLN N . 50032 1 285 . 1 . 1 217 217 ASP H H 1 8.216 . . 1 . . . . . 565 ASP H . 50032 1 286 . 1 . 1 217 217 ASP N N 15 121.413 . . 1 . . . . . 565 ASP N . 50032 1 287 . 1 . 1 218 218 GLN H H 1 7.743 . . 1 . . . . . 566 GLN H . 50032 1 288 . 1 . 1 218 218 GLN N N 15 124.577 . . 1 . . . . . 566 GLN N . 50032 1 stop_ save_