################################### # 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 50031 _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' . . . 50031 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 3 3 MET H H 1 8.170 . . 1 . . . . . 369 MET H . 50031 1 2 . 1 . 1 3 3 MET N N 15 121.354 . . 1 . . . . . 369 MET N . 50031 1 3 . 1 . 1 4 4 GLU H H 1 8.239 . . 1 . . . . . 370 GLU H . 50031 1 4 . 1 . 1 4 4 GLU N N 15 121.919 . . 1 . . . . . 370 GLU N . 50031 1 5 . 1 . 1 5 5 PHE H H 1 8.123 . . 1 . . . . . 371 PHE H . 50031 1 6 . 1 . 1 5 5 PHE N N 15 120.627 . . 1 . . . . . 371 PHE N . 50031 1 7 . 1 . 1 6 6 GLN H H 1 8.186 . . 1 . . . . . 372 GLN H . 50031 1 8 . 1 . 1 6 6 GLN N N 15 121.904 . . 1 . . . . . 372 GLN N . 50031 1 9 . 1 . 1 7 7 SER H H 1 8.237 . . 1 . . . . . 373 SER H . 50031 1 10 . 1 . 1 7 7 SER N N 15 117.106 . . 1 . . . . . 373 SER N . 50031 1 11 . 1 . 1 8 8 ASP H H 1 8.235 . . 1 . . . . . 374 ASP H . 50031 1 12 . 1 . 1 8 8 ASP N N 15 121.835 . . 1 . . . . . 374 ASP N . 50031 1 13 . 1 . 1 9 9 HIS H H 1 8.264 . . 1 . . . . . 375 HIS H . 50031 1 14 . 1 . 1 9 9 HIS N N 15 119.848 . . 1 . . . . . 375 HIS N . 50031 1 15 . 1 . 1 10 10 ARG H H 1 8.128 . . 1 . . . . . 376 ARG H . 50031 1 16 . 1 . 1 10 10 ARG N N 15 121.415 . . 1 . . . . . 376 ARG N . 50031 1 17 . 1 . 1 11 11 GLU H H 1 8.596 . . 1 . . . . . 377 GLU H . 50031 1 18 . 1 . 1 11 11 GLU N N 15 120.973 . . 1 . . . . . 377 GLU N . 50031 1 19 . 1 . 1 23 23 GLN H H 1 8.446 . . 1 . . . . . 389 GLN H . 50031 1 20 . 1 . 1 23 23 GLN N N 15 120.758 . . 1 . . . . . 389 GLN N . 50031 1 21 . 1 . 1 24 24 THR H H 1 8.006 . . 1 . . . . . 390 THR H . 50031 1 22 . 1 . 1 24 24 THR N N 15 114.927 . . 1 . . . . . 390 THR N . 50031 1 23 . 1 . 1 25 25 VAL H H 1 8.241 . . 1 . . . . . 391 VAL H . 50031 1 24 . 1 . 1 25 25 VAL N N 15 113.562 . . 1 . . . . . 391 VAL N . 50031 1 25 . 1 . 1 26 26 ASP H H 1 8.280 . . 1 . . . . . 392 ASP H . 50031 1 26 . 1 . 1 26 26 ASP N N 15 121.335 . . 1 . . . . . 392 ASP N . 50031 1 27 . 1 . 1 27 27 GLY H H 1 7.653 . . 1 . . . . . 393 GLY H . 50031 1 28 . 1 . 1 27 27 GLY N N 15 108.613 . . 1 . . . . . 393 GLY N . 50031 1 29 . 1 . 1 28 28 LYS H H 1 7.647 . . 1 . . . . . 394 LYS H . 50031 1 30 . 1 . 1 28 28 LYS N N 15 119.338 . . 1 . . . . . 394 LYS N . 50031 1 31 . 1 . 1 29 29 HIS H H 1 7.924 . . 1 . . . . . 395 HIS H . 50031 1 32 . 1 . 1 29 29 HIS N N 15 115.753 . . 1 . . . . . 395 HIS N . 50031 1 33 . 1 . 1 30 30 GLN H H 1 8.956 . . 1 . . . . . 396 GLN H . 50031 1 34 . 1 . 1 30 30 GLN N N 15 123.685 . . 1 . . . . . 396 GLN N . 50031 1 35 . 1 . 1 31 31 ASP H H 1 9.369 . . 1 . . . . . 397 ASP H . 50031 1 36 . 1 . 1 31 31 ASP N N 15 114.637 . . 1 . . . . . 397 ASP N . 50031 1 37 . 1 . 1 32 32 LEU H H 1 7.377 . . 1 . . . . . 398 LEU H . 50031 1 38 . 1 . 1 32 32 LEU N N 15 120.321 . . 1 . . . . . 398 LEU N . 50031 1 39 . 1 . 1 33 33 LYS H H 1 8.460 . . 1 . . . . . 399 LYS H . 50031 1 40 . 1 . 1 33 33 LYS N N 15 118.693 . . 1 . . . . . 399 LYS N . 50031 1 41 . 1 . 1 34 34 TYR H H 1 8.822 . . 1 . . . . . 400 TYR H . 50031 1 42 . 1 . 1 34 34 TYR N N 15 122.083 . . 1 . . . . . 400 TYR N . 50031 1 43 . 1 . 1 35 35 ILE H H 1 8.771 . . 1 . . . . . 401 ILE H . 50031 1 44 . 1 . 1 35 35 ILE N N 15 110.025 . . 1 . . . . . 401 ILE N . 50031 1 45 . 1 . 1 36 36 SER H H 1 8.717 . . 1 . . . . . 402 SER H . 50031 1 46 . 1 . 1 36 36 SER N N 15 116.825 . . 1 . . . . . 402 SER N . 50031 1 47 . 1 . 1 38 38 GLU H H 1 8.278 . . 1 . . . . . 404 GLU H . 50031 1 48 . 1 . 1 38 38 GLU N N 15 116.292 . . 1 . . . . . 404 GLU N . 50031 1 49 . 1 . 1 39 39 THR H H 1 7.794 . . 1 . . . . . 405 THR H . 50031 1 50 . 1 . 1 39 39 THR N N 15 121.711 . . 1 . . . . . 405 THR N . 50031 1 51 . 1 . 1 40 40 MET H H 1 7.669 . . 1 . . . . . 406 MET H . 50031 1 52 . 1 . 1 40 40 MET N N 15 121.853 . . 1 . . . . . 406 MET N . 50031 1 53 . 1 . 1 41 41 VAL H H 1 8.020 . . 1 . . . . . 407 VAL H . 50031 1 54 . 1 . 1 41 41 VAL N N 15 119.323 . . 1 . . . . . 407 VAL N . 50031 1 55 . 1 . 1 42 42 ALA H H 1 7.659 . . 1 . . . . . 408 ALA H . 50031 1 56 . 1 . 1 42 42 ALA N N 15 125.078 . . 1 . . . . . 408 ALA N . 50031 1 57 . 1 . 1 43 43 LEU H H 1 7.677 . . 1 . . . . . 409 LEU H . 50031 1 58 . 1 . 1 43 43 LEU N N 15 118.261 . . 1 . . . . . 409 LEU N . 50031 1 59 . 1 . 1 44 44 LEU H H 1 8.030 . . 1 . . . . . 410 LEU H . 50031 1 60 . 1 . 1 44 44 LEU N N 15 119.699 . . 1 . . . . . 410 LEU N . 50031 1 61 . 1 . 1 45 45 THR H H 1 7.904 . . 1 . . . . . 411 THR H . 50031 1 62 . 1 . 1 45 45 THR N N 15 107.357 . . 1 . . . . . 411 THR N . 50031 1 63 . 1 . 1 46 46 GLY H H 1 7.587 . . 1 . . . . . 412 GLY H . 50031 1 64 . 1 . 1 46 46 GLY N N 15 108.192 . . 1 . . . . . 412 GLY N . 50031 1 65 . 1 . 1 47 47 LYS H H 1 8.164 . . 1 . . . . . 413 LYS H . 50031 1 66 . 1 . 1 47 47 LYS N N 15 119.523 . . 1 . . . . . 413 LYS N . 50031 1 67 . 1 . 1 48 48 PHE H H 1 8.342 . . 1 . . . . . 414 PHE H . 50031 1 68 . 1 . 1 48 48 PHE N N 15 114.057 . . 1 . . . . . 414 PHE N . 50031 1 69 . 1 . 1 49 49 SER H H 1 7.590 . . 1 . . . . . 415 SER H . 50031 1 70 . 1 . 1 49 49 SER N N 15 117.991 . . 1 . . . . . 415 SER N . 50031 1 71 . 1 . 1 50 50 ASN H H 1 8.634 . . 1 . . . . . 416 ASN H . 50031 1 72 . 1 . 1 50 50 ASN N N 15 117.129 . . 1 . . . . . 416 ASN N . 50031 1 73 . 1 . 1 53 53 ASP H H 1 9.142 . . 1 . . . . . 419 ASP H . 50031 1 74 . 1 . 1 53 53 ASP N N 15 128.688 . . 1 . . . . . 419 ASP N . 50031 1 75 . 1 . 1 55 55 PHE H H 1 7.935 . . 1 . . . . . 421 PHE H . 50031 1 76 . 1 . 1 55 55 PHE N N 15 118.340 . . 1 . . . . . 421 PHE N . 50031 1 77 . 1 . 1 56 56 VAL H H 1 7.950 . . 1 . . . . . 422 VAL H . 50031 1 78 . 1 . 1 56 56 VAL N N 15 121.547 . . 1 . . . . . 422 VAL N . 50031 1 79 . 1 . 1 57 57 ILE H H 1 8.940 . . 1 . . . . . 423 ILE H . 50031 1 80 . 1 . 1 57 57 ILE N N 15 128.027 . . 1 . . . . . 423 ILE N . 50031 1 81 . 1 . 1 58 58 VAL H H 1 9.433 . . 1 . . . . . 424 VAL H . 50031 1 82 . 1 . 1 58 58 VAL N N 15 128.795 . . 1 . . . . . 424 VAL N . 50031 1 83 . 1 . 1 59 59 ASP H H 1 8.679 . . 1 . . . . . 425 ASP H . 50031 1 84 . 1 . 1 59 59 ASP N N 15 127.270 . . 1 . . . . . 425 ASP N . 50031 1 85 . 1 . 1 60 60 CYS H H 1 8.254 . . 1 . . . . . 426 CYS H . 50031 1 86 . 1 . 1 60 60 CYS N N 15 124.681 . . 1 . . . . . 426 CYS N . 50031 1 87 . 1 . 1 61 61 ARG H H 1 7.599 . . 1 . . . . . 427 ARG H . 50031 1 88 . 1 . 1 61 61 ARG N N 15 117.357 . . 1 . . . . . 427 ARG N . 50031 1 89 . 1 . 1 62 62 TYR H H 1 7.586 . . 1 . . . . . 428 TYR H . 50031 1 90 . 1 . 1 62 62 TYR N N 15 118.196 . . 1 . . . . . 428 TYR N . 50031 1 91 . 1 . 1 64 64 TYR H H 1 7.035 . . 1 . . . . . 430 TYR H . 50031 1 92 . 1 . 1 64 64 TYR N N 15 110.382 . . 1 . . . . . 430 TYR N . 50031 1 93 . 1 . 1 65 65 GLU H H 1 6.126 . . 1 . . . . . 431 GLU H . 50031 1 94 . 1 . 1 65 65 GLU N N 15 123.289 . . 1 . . . . . 431 GLU N . 50031 1 95 . 1 . 1 66 66 TYR H H 1 6.959 . . 1 . . . . . 432 TYR H . 50031 1 96 . 1 . 1 66 66 TYR N N 15 120.718 . . 1 . . . . . 432 TYR N . 50031 1 97 . 1 . 1 67 67 GLU H H 1 9.058 . . 1 . . . . . 433 GLU H . 50031 1 98 . 1 . 1 67 67 GLU N N 15 120.771 . . 1 . . . . . 433 GLU N . 50031 1 99 . 1 . 1 68 68 GLY H H 1 6.936 . . 1 . . . . . 434 GLY H . 50031 1 100 . 1 . 1 68 68 GLY N N 15 103.885 . . 1 . . . . . 434 GLY N . 50031 1 101 . 1 . 1 69 69 GLY H H 1 6.456 . . 1 . . . . . 435 GLY H . 50031 1 102 . 1 . 1 69 69 GLY N N 15 106.550 . . 1 . . . . . 435 GLY N . 50031 1 103 . 1 . 1 70 70 HIS H H 1 7.523 . . 1 . . . . . 436 HIS H . 50031 1 104 . 1 . 1 70 70 HIS N N 15 123.926 . . 1 . . . . . 436 HIS N . 50031 1 105 . 1 . 1 71 71 ILE H H 1 10.600 . . 1 . . . . . 437 ILE H . 50031 1 106 . 1 . 1 71 71 ILE N N 15 123.870 . . 1 . . . . . 437 ILE N . 50031 1 107 . 1 . 1 73 73 THR H H 1 8.761 . . 1 . . . . . 439 THR H . 50031 1 108 . 1 . 1 73 73 THR N N 15 113.582 . . 1 . . . . . 439 THR N . 50031 1 109 . 1 . 1 74 74 ALA H H 1 8.645 . . 1 . . . . . 440 ALA H . 50031 1 110 . 1 . 1 74 74 ALA N N 15 125.862 . . 1 . . . . . 440 ALA N . 50031 1 111 . 1 . 1 75 75 VAL H H 1 8.980 . . 1 . . . . . 441 VAL H . 50031 1 112 . 1 . 1 75 75 VAL N N 15 121.200 . . 1 . . . . . 441 VAL N . 50031 1 113 . 1 . 1 76 76 ASN H H 1 8.454 . . 1 . . . . . 442 ASN H . 50031 1 114 . 1 . 1 76 76 ASN N N 15 124.824 . . 1 . . . . . 442 ASN N . 50031 1 115 . 1 . 1 77 77 LEU H H 1 7.017 . . 1 . . . . . 443 LEU H . 50031 1 116 . 1 . 1 77 77 LEU N N 15 124.294 . . 1 . . . . . 443 LEU N . 50031 1 117 . 1 . 1 79 79 LEU H H 1 7.359 . . 1 . . . . . 445 LEU H . 50031 1 118 . 1 . 1 79 79 LEU N N 15 114.854 . . 1 . . . . . 445 LEU N . 50031 1 119 . 1 . 1 80 80 GLU H H 1 9.092 . . 1 . . . . . 446 GLU H . 50031 1 120 . 1 . 1 80 80 GLU N N 15 125.074 . . 1 . . . . . 446 GLU N . 50031 1 121 . 1 . 1 81 81 ARG H H 1 8.391 . . 1 . . . . . 447 ARG H . 50031 1 122 . 1 . 1 81 81 ARG N N 15 115.301 . . 1 . . . . . 447 ARG N . 50031 1 123 . 1 . 1 82 82 ASP H H 1 6.875 . . 1 . . . . . 448 ASP H . 50031 1 124 . 1 . 1 82 82 ASP N N 15 119.048 . . 1 . . . . . 448 ASP N . 50031 1 125 . 1 . 1 83 83 ALA H H 1 8.115 . . 1 . . . . . 449 ALA H . 50031 1 126 . 1 . 1 83 83 ALA N N 15 123.490 . . 1 . . . . . 449 ALA N . 50031 1 127 . 1 . 1 84 84 GLU H H 1 9.011 . . 1 . . . . . 450 GLU H . 50031 1 128 . 1 . 1 84 84 GLU N N 15 118.601 . . 1 . . . . . 450 GLU N . 50031 1 129 . 1 . 1 85 85 SER H H 1 7.860 . . 1 . . . . . 451 SER H . 50031 1 130 . 1 . 1 85 85 SER N N 15 113.781 . . 1 . . . . . 451 SER N . 50031 1 131 . 1 . 1 86 86 PHE H H 1 8.186 . . 1 . . . . . 452 PHE H . 50031 1 132 . 1 . 1 86 86 PHE N N 15 119.700 . . 1 . . . . . 452 PHE N . 50031 1 133 . 1 . 1 87 87 LEU H H 1 8.191 . . 1 . . . . . 453 LEU H . 50031 1 134 . 1 . 1 87 87 LEU N N 15 111.944 . . 1 . . . . . 453 LEU N . 50031 1 135 . 1 . 1 88 88 LEU H H 1 8.182 . . 1 . . . . . 454 LEU H . 50031 1 136 . 1 . 1 88 88 LEU N N 15 117.143 . . 1 . . . . . 454 LEU N . 50031 1 137 . 1 . 1 89 89 LYS H H 1 7.181 . . 1 . . . . . 455 LYS H . 50031 1 138 . 1 . 1 89 89 LYS N N 15 120.988 . . 1 . . . . . 455 LYS N . 50031 1 139 . 1 . 1 90 90 SER H H 1 7.778 . . 1 . . . . . 456 SER H . 50031 1 140 . 1 . 1 90 90 SER N N 15 112.983 . . 1 . . . . . 456 SER N . 50031 1 141 . 1 . 1 102 102 ILE H H 1 8.014 . . 1 . . . . . 468 ILE H . 50031 1 142 . 1 . 1 102 102 ILE N N 15 123.314 . . 1 . . . . . 468 ILE N . 50031 1 143 . 1 . 1 103 103 LEU H H 1 7.434 . . 1 . . . . . 469 LEU H . 50031 1 144 . 1 . 1 103 103 LEU N N 15 121.489 . . 1 . . . . . 469 LEU N . 50031 1 145 . 1 . 1 104 104 ILE H H 1 8.798 . . 1 . . . . . 470 ILE H . 50031 1 146 . 1 . 1 104 104 ILE N N 15 122.159 . . 1 . . . . . 470 ILE N . 50031 1 147 . 1 . 1 105 105 PHE H H 1 9.533 . . 1 . . . . . 471 PHE H . 50031 1 148 . 1 . 1 105 105 PHE N N 15 123.721 . . 1 . . . . . 471 PHE N . 50031 1 149 . 1 . 1 106 106 HIS H H 1 8.917 . . 1 . . . . . 472 HIS H . 50031 1 150 . 1 . 1 106 106 HIS N N 15 113.943 . . 1 . . . . . 472 HIS N . 50031 1 151 . 1 . 1 117 117 MET H H 1 7.993 . . 1 . . . . . 483 MET H . 50031 1 152 . 1 . 1 117 117 MET N N 15 120.510 . . 1 . . . . . 483 MET N . 50031 1 153 . 1 . 1 118 118 CYS H H 1 7.628 . . 1 . . . . . 484 CYS H . 50031 1 154 . 1 . 1 118 118 CYS N N 15 119.983 . . 1 . . . . . 484 CYS N . 50031 1 155 . 1 . 1 119 119 ARG H H 1 7.705 . . 1 . . . . . 485 ARG H . 50031 1 156 . 1 . 1 119 119 ARG N N 15 116.405 . . 1 . . . . . 485 ARG N . 50031 1 157 . 1 . 1 120 120 PHE H H 1 8.083 . . 1 . . . . . 486 PHE H . 50031 1 158 . 1 . 1 120 120 PHE N N 15 121.493 . . 1 . . . . . 486 PHE N . 50031 1 159 . 1 . 1 121 121 ILE H H 1 8.253 . . 1 . . . . . 487 ILE H . 50031 1 160 . 1 . 1 121 121 ILE N N 15 118.858 . . 1 . . . . . 487 ILE N . 50031 1 161 . 1 . 1 122 122 ARG H H 1 7.568 . . 1 . . . . . 488 ARG H . 50031 1 162 . 1 . 1 122 122 ARG N N 15 118.421 . . 1 . . . . . 488 ARG N . 50031 1 163 . 1 . 1 123 123 GLU H H 1 7.994 . . 1 . . . . . 489 GLU H . 50031 1 164 . 1 . 1 123 123 GLU N N 15 119.645 . . 1 . . . . . 489 GLU N . 50031 1 165 . 1 . 1 124 124 ARG H H 1 7.943 . . 1 . . . . . 490 ARG H . 50031 1 166 . 1 . 1 124 124 ARG N N 15 119.328 . . 1 . . . . . 490 ARG N . 50031 1 167 . 1 . 1 125 125 ASP H H 1 8.758 . . 1 . . . . . 491 ASP H . 50031 1 168 . 1 . 1 125 125 ASP N N 15 121.780 . . 1 . . . . . 491 ASP N . 50031 1 169 . 1 . 1 126 126 ARG H H 1 8.457 . . 1 . . . . . 492 ARG H . 50031 1 170 . 1 . 1 126 126 ARG N N 15 116.598 . . 1 . . . . . 492 ARG N . 50031 1 171 . 1 . 1 127 127 ALA H H 1 7.569 . . 1 . . . . . 493 ALA H . 50031 1 172 . 1 . 1 127 127 ALA N N 15 119.025 . . 1 . . . . . 493 ALA N . 50031 1 173 . 1 . 1 128 128 VAL H H 1 7.345 . . 1 . . . . . 494 VAL H . 50031 1 174 . 1 . 1 128 128 VAL N N 15 108.900 . . 1 . . . . . 494 VAL N . 50031 1 175 . 1 . 1 129 129 ASN H H 1 7.027 . . 1 . . . . . 495 ASN H . 50031 1 176 . 1 . 1 129 129 ASN N N 15 120.457 . . 1 . . . . . 495 ASN N . 50031 1 177 . 1 . 1 130 130 ASP H H 1 8.739 . . 1 . . . . . 496 ASP H . 50031 1 178 . 1 . 1 130 130 ASP N N 15 120.572 . . 1 . . . . . 496 ASP N . 50031 1 179 . 1 . 1 131 131 TYR H H 1 8.780 . . 1 . . . . . 497 TYR H . 50031 1 180 . 1 . 1 131 131 TYR N N 15 128.174 . . 1 . . . . . 497 TYR N . 50031 1 181 . 1 . 1 139 139 MET H H 1 9.852 . . 1 . . . . . 505 MET H . 50031 1 182 . 1 . 1 139 139 MET N N 15 116.120 . . 1 . . . . . 505 MET N . 50031 1 183 . 1 . 1 140 140 TYR H H 1 8.809 . . 1 . . . . . 506 TYR H . 50031 1 184 . 1 . 1 140 140 TYR N N 15 117.764 . . 1 . . . . . 506 TYR N . 50031 1 185 . 1 . 1 141 141 ILE H H 1 9.378 . . 1 . . . . . 507 ILE H . 50031 1 186 . 1 . 1 141 141 ILE N N 15 120.239 . . 1 . . . . . 507 ILE N . 50031 1 187 . 1 . 1 142 142 LEU H H 1 7.705 . . 1 . . . . . 508 LEU H . 50031 1 188 . 1 . 1 142 142 LEU N N 15 125.192 . . 1 . . . . . 508 LEU N . 50031 1 189 . 1 . 1 143 143 LYS H H 1 9.643 . . 1 . . . . . 509 LYS H . 50031 1 190 . 1 . 1 143 143 LYS N N 15 136.791 . . 1 . . . . . 509 LYS N . 50031 1 191 . 1 . 1 144 144 GLY H H 1 9.520 . . 1 . . . . . 510 GLY H . 50031 1 192 . 1 . 1 144 144 GLY N N 15 118.367 . . 1 . . . . . 510 GLY N . 50031 1 193 . 1 . 1 145 145 GLY H H 1 7.361 . . 1 . . . . . 511 GLY H . 50031 1 194 . 1 . 1 145 145 GLY N N 15 101.771 . . 1 . . . . . 511 GLY N . 50031 1 195 . 1 . 1 147 147 LYS H H 1 8.857 . . 1 . . . . . 513 LYS H . 50031 1 196 . 1 . 1 147 147 LYS N N 15 115.519 . . 1 . . . . . 513 LYS N . 50031 1 197 . 1 . 1 148 148 GLU H H 1 6.564 . . 1 . . . . . 514 GLU H . 50031 1 198 . 1 . 1 148 148 GLU N N 15 111.374 . . 1 . . . . . 514 GLU N . 50031 1 199 . 1 . 1 149 149 PHE H H 1 7.361 . . 1 . . . . . 515 PHE H . 50031 1 200 . 1 . 1 149 149 PHE N N 15 121.265 . . 1 . . . . . 515 PHE N . 50031 1 201 . 1 . 1 150 150 PHE H H 1 7.719 . . 1 . . . . . 516 PHE H . 50031 1 202 . 1 . 1 150 150 PHE N N 15 117.932 . . 1 . . . . . 516 PHE N . 50031 1 203 . 1 . 1 152 152 GLN H H 1 6.276 . . 1 . . . . . 518 GLN H . 50031 1 204 . 1 . 1 152 152 GLN N N 15 112.436 . . 1 . . . . . 518 GLN N . 50031 1 205 . 1 . 1 153 153 HIS H H 1 7.079 . . 1 . . . . . 519 HIS H . 50031 1 206 . 1 . 1 153 153 HIS N N 15 115.516 . . 1 . . . . . 519 HIS N . 50031 1 207 . 1 . 1 155 155 ASN H H 1 8.315 . . 1 . . . . . 521 ASN H . 50031 1 208 . 1 . 1 155 155 ASN N N 15 111.608 . . 1 . . . . . 521 ASN N . 50031 1 209 . 1 . 1 156 156 PHE H H 1 7.982 . . 1 . . . . . 522 PHE H . 50031 1 210 . 1 . 1 156 156 PHE N N 15 117.917 . . 1 . . . . . 522 PHE N . 50031 1 211 . 1 . 1 157 157 CYS H H 1 7.685 . . 1 . . . . . 523 CYS H . 50031 1 212 . 1 . 1 157 157 CYS N N 15 119.307 . . 1 . . . . . 523 CYS N . 50031 1 213 . 1 . 1 158 158 GLU H H 1 9.264 . . 1 . . . . . 524 GLU H . 50031 1 214 . 1 . 1 158 158 GLU N N 15 122.087 . . 1 . . . . . 524 GLU N . 50031 1 215 . 1 . 1 160 160 GLN H H 1 8.486 . . 1 . . . . . 526 GLN H . 50031 1 216 . 1 . 1 160 160 GLN N N 15 119.341 . . 1 . . . . . 526 GLN N . 50031 1 217 . 1 . 1 161 161 ASP H H 1 7.965 . . 1 . . . . . 527 ASP H . 50031 1 218 . 1 . 1 161 161 ASP N N 15 123.809 . . 1 . . . . . 527 ASP N . 50031 1 219 . 1 . 1 162 162 TYR H H 1 8.996 . . 1 . . . . . 528 TYR H . 50031 1 220 . 1 . 1 162 162 TYR N N 15 120.152 . . 1 . . . . . 528 TYR N . 50031 1 221 . 1 . 1 163 163 ARG H H 1 9.080 . . 1 . . . . . 529 ARG H . 50031 1 222 . 1 . 1 163 163 ARG N N 15 133.842 . . 1 . . . . . 529 ARG N . 50031 1 223 . 1 . 1 165 165 MET H H 1 8.322 . . 1 . . . . . 531 MET H . 50031 1 224 . 1 . 1 165 165 MET N N 15 122.778 . . 1 . . . . . 531 MET N . 50031 1 225 . 1 . 1 166 166 ASN H H 1 8.478 . . 1 . . . . . 532 ASN H . 50031 1 226 . 1 . 1 166 166 ASN N N 15 113.860 . . 1 . . . . . 532 ASN N . 50031 1 227 . 1 . 1 167 167 HIS H H 1 7.463 . . 1 . . . . . 533 HIS H . 50031 1 228 . 1 . 1 167 167 HIS N N 15 120.474 . . 1 . . . . . 533 HIS N . 50031 1 229 . 1 . 1 168 168 GLU H H 1 8.875 . . 1 . . . . . 534 GLU H . 50031 1 230 . 1 . 1 168 168 GLU N N 15 130.253 . . 1 . . . . . 534 GLU N . 50031 1 231 . 1 . 1 169 169 ALA H H 1 10.591 . . 1 . . . . . 535 ALA H . 50031 1 232 . 1 . 1 169 169 ALA N N 15 124.327 . . 1 . . . . . 535 ALA N . 50031 1 233 . 1 . 1 170 170 PHE H H 1 7.768 . . 1 . . . . . 536 PHE H . 50031 1 234 . 1 . 1 170 170 PHE N N 15 117.204 . . 1 . . . . . 536 PHE N . 50031 1 235 . 1 . 1 171 171 LYS H H 1 7.154 . . 1 . . . . . 537 LYS H . 50031 1 236 . 1 . 1 171 171 LYS N N 15 119.318 . . 1 . . . . . 537 LYS N . 50031 1 237 . 1 . 1 172 172 ASP H H 1 8.626 . . 1 . . . . . 538 ASP H . 50031 1 238 . 1 . 1 172 172 ASP N N 15 119.818 . . 1 . . . . . 538 ASP N . 50031 1 239 . 1 . 1 173 173 GLU H H 1 8.060 . . 1 . . . . . 539 GLU H . 50031 1 240 . 1 . 1 173 173 GLU N N 15 123.463 . . 1 . . . . . 539 GLU N . 50031 1 241 . 1 . 1 174 174 LEU H H 1 8.307 . . 1 . . . . . 540 LEU H . 50031 1 242 . 1 . 1 174 174 LEU N N 15 122.086 . . 1 . . . . . 540 LEU N . 50031 1 243 . 1 . 1 175 175 LYS H H 1 7.678 . . 1 . . . . . 541 LYS H . 50031 1 244 . 1 . 1 175 175 LYS N N 15 117.889 . . 1 . . . . . 541 LYS N . 50031 1 245 . 1 . 1 176 176 THR H H 1 7.920 . . 1 . . . . . 542 THR H . 50031 1 246 . 1 . 1 176 176 THR N N 15 114.082 . . 1 . . . . . 542 THR N . 50031 1 247 . 1 . 1 177 177 PHE H H 1 8.346 . . 1 . . . . . 543 PHE H . 50031 1 248 . 1 . 1 177 177 PHE N N 15 121.615 . . 1 . . . . . 543 PHE N . 50031 1 249 . 1 . 1 178 178 ARG H H 1 8.544 . . 1 . . . . . 544 ARG H . 50031 1 250 . 1 . 1 178 178 ARG N N 15 119.611 . . 1 . . . . . 544 ARG N . 50031 1 251 . 1 . 1 179 179 LEU H H 1 7.503 . . 1 . . . . . 545 LEU H . 50031 1 252 . 1 . 1 179 179 LEU N N 15 118.892 . . 1 . . . . . 545 LEU N . 50031 1 253 . 1 . 1 180 180 LYS H H 1 7.698 . . 1 . . . . . 546 LYS H . 50031 1 254 . 1 . 1 180 180 LYS N N 15 117.038 . . 1 . . . . . 546 LYS N . 50031 1 255 . 1 . 1 181 181 THR H H 1 7.581 . . 1 . . . . . 547 THR H . 50031 1 256 . 1 . 1 181 181 THR N N 15 110.640 . . 1 . . . . . 547 THR N . 50031 1 257 . 1 . 1 182 182 ARG H H 1 7.818 . . 1 . . . . . 548 ARG H . 50031 1 258 . 1 . 1 182 182 ARG N N 15 121.670 . . 1 . . . . . 548 ARG N . 50031 1 259 . 1 . 1 183 183 SER H H 1 8.198 . . 1 . . . . . 549 SER H . 50031 1 260 . 1 . 1 183 183 SER N N 15 116.032 . . 1 . . . . . 549 SER N . 50031 1 261 . 1 . 1 184 184 TRP H H 1 8.050 . . 1 . . . . . 550 TRP H . 50031 1 262 . 1 . 1 184 184 TRP HE1 H 1 10.188 . . 1 . . . . . 550 TRP HE1 . 50031 1 263 . 1 . 1 184 184 TRP N N 15 123.090 . . 1 . . . . . 550 TRP N . 50031 1 264 . 1 . 1 184 184 TRP NE1 N 15 129.808 . . 1 . . . . . 550 TRP NE1 . 50031 1 265 . 1 . 1 185 185 ALA H H 1 8.048 . . 1 . . . . . 551 ALA H . 50031 1 266 . 1 . 1 185 185 ALA N N 15 125.189 . . 1 . . . . . 551 ALA N . 50031 1 267 . 1 . 1 186 186 GLY H H 1 7.618 . . 1 . . . . . 552 GLY H . 50031 1 268 . 1 . 1 186 186 GLY N N 15 107.066 . . 1 . . . . . 552 GLY N . 50031 1 269 . 1 . 1 187 187 GLU H H 1 8.157 . . 1 . . . . . 553 GLU H . 50031 1 270 . 1 . 1 187 187 GLU N N 15 120.905 . . 1 . . . . . 553 GLU N . 50031 1 271 . 1 . 1 188 188 ARG H H 1 8.312 . . 1 . . . . . 554 ARG H . 50031 1 272 . 1 . 1 188 188 ARG N N 15 121.376 . . 1 . . . . . 554 ARG N . 50031 1 273 . 1 . 1 190 190 ARG H H 1 8.184 . . 1 . . . . . 556 ARG H . 50031 1 274 . 1 . 1 190 190 ARG N N 15 122.653 . . 1 . . . . . 556 ARG N . 50031 1 275 . 1 . 1 191 191 ARG H H 1 8.161 . . 1 . . . . . 557 ARG H . 50031 1 276 . 1 . 1 191 191 ARG N N 15 121.164 . . 1 . . . . . 557 ARG N . 50031 1 277 . 1 . 1 192 192 GLU H H 1 8.282 . . 1 . . . . . 558 GLU H . 50031 1 278 . 1 . 1 192 192 GLU N N 15 121.013 . . 1 . . . . . 558 GLU N . 50031 1 279 . 1 . 1 193 193 LEU H H 1 8.102 . . 1 . . . . . 559 LEU H . 50031 1 280 . 1 . 1 193 193 LEU N N 15 122.251 . . 1 . . . . . 559 LEU N . 50031 1 281 . 1 . 1 194 194 CYS H H 1 8.162 . . 1 . . . . . 560 CYS H . 50031 1 282 . 1 . 1 194 194 CYS N N 15 119.366 . . 1 . . . . . 560 CYS N . 50031 1 283 . 1 . 1 196 196 ARG H H 1 8.261 . . 1 . . . . . 562 ARG H . 50031 1 284 . 1 . 1 196 196 ARG N N 15 122.774 . . 1 . . . . . 562 ARG N . 50031 1 285 . 1 . 1 197 197 LEU H H 1 8.146 . . 1 . . . . . 563 LEU H . 50031 1 286 . 1 . 1 197 197 LEU N N 15 122.721 . . 1 . . . . . 563 LEU N . 50031 1 287 . 1 . 1 198 198 GLN H H 1 8.209 . . 1 . . . . . 564 GLN H . 50031 1 288 . 1 . 1 198 198 GLN N N 15 119.881 . . 1 . . . . . 564 GLN N . 50031 1 289 . 1 . 1 199 199 ASP H H 1 8.218 . . 1 . . . . . 565 ASP H . 50031 1 290 . 1 . 1 199 199 ASP N N 15 121.426 . . 1 . . . . . 565 ASP N . 50031 1 291 . 1 . 1 200 200 GLN H H 1 7.742 . . 1 . . . . . 566 GLN H . 50031 1 292 . 1 . 1 200 200 GLN N N 15 124.576 . . 1 . . . . . 566 GLN N . 50031 1 stop_ save_