################################### # 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 18477 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 18477 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 10 10 ALA H H 1 8.295 0.02 . 1 . . . . 10 ALA H . 18477 1 2 . 1 1 10 10 ALA N N 15 126.385 0.05 . 1 . . . . 10 ALA N . 18477 1 3 . 1 1 11 11 ALA H H 1 8.022 0.02 . 1 . . . . 11 ALA H . 18477 1 4 . 1 1 11 11 ALA N N 15 122.337 0.05 . 1 . . . . 11 ALA N . 18477 1 5 . 1 1 12 12 LEU H H 1 7.904 0.02 . 1 . . . . 12 LEU H . 18477 1 6 . 1 1 12 12 LEU N N 15 120.277 0.05 . 1 . . . . 12 LEU N . 18477 1 7 . 1 1 13 13 GLU H H 1 8.215 0.02 . 1 . . . . 13 GLU H . 18477 1 8 . 1 1 13 13 GLU N N 15 120.597 0.05 . 1 . . . . 13 GLU N . 18477 1 9 . 1 1 14 14 VAL H H 1 7.771 0.02 . 1 . . . . 14 VAL H . 18477 1 10 . 1 1 14 14 VAL N N 15 119.251 0.05 . 1 . . . . 14 VAL N . 18477 1 11 . 1 1 15 15 LEU H H 1 7.838 0.02 . 1 . . . . 15 LEU H . 18477 1 12 . 1 1 15 15 LEU N N 15 123.932 0.05 . 1 . . . . 15 LEU N . 18477 1 13 . 1 1 16 16 PHE H H 1 7.964 0.02 . 1 . . . . 16 PHE H . 18477 1 14 . 1 1 16 16 PHE N N 15 119.659 0.05 . 1 . . . . 16 PHE N . 18477 1 15 . 1 1 17 17 GLN H H 1 8.033 0.02 . 1 . . . . 17 GLN H . 18477 1 16 . 1 1 17 17 GLN N N 15 121.225 0.05 . 1 . . . . 17 GLN N . 18477 1 17 . 1 1 18 18 GLY H H 1 8.008 0.02 . 1 . . . . 18 GLY H . 18477 1 18 . 1 1 18 18 GLY N N 15 110.46 0.05 . 1 . . . . 18 GLY N . 18477 1 19 . 1 1 20 20 GLU H H 1 8.58 0.02 . 1 . . . . 433 GLU H . 18477 1 20 . 1 1 20 20 GLU N N 15 120.341 0.05 . 1 . . . . 433 GLU N . 18477 1 21 . 1 1 21 21 MET H H 1 8.532 0.02 . 1 . . . . 434 MET H . 18477 1 22 . 1 1 21 21 MET N N 15 125.259 0.05 . 1 . . . . 434 MET N . 18477 1 23 . 1 1 22 22 THR H H 1 7.013 0.02 . 1 . . . . 435 THR H . 18477 1 24 . 1 1 22 22 THR N N 15 116.377 0.05 . 1 . . . . 435 THR N . 18477 1 25 . 1 1 25 25 TRP H H 1 7.274 0.02 . 1 . . . . 438 TRP H . 18477 1 26 . 1 1 25 25 TRP N N 15 118.499 0.05 . 1 . . . . 438 TRP N . 18477 1 27 . 1 1 26 26 LYS H H 1 8.383 0.02 . 1 . . . . 439 LYS H . 18477 1 28 . 1 1 26 26 LYS N N 15 119.844 0.05 . 1 . . . . 439 LYS N . 18477 1 29 . 1 1 27 27 GLU H H 1 8.143 0.02 . 1 . . . . 440 GLU H . 18477 1 30 . 1 1 27 27 GLU N N 15 118.352 0.05 . 1 . . . . 440 GLU N . 18477 1 31 . 1 1 28 28 ALA H H 1 7.983 0.02 . 1 . . . . 441 ALA H . 18477 1 32 . 1 1 28 28 ALA N N 15 123.518 0.05 . 1 . . . . 441 ALA N . 18477 1 33 . 1 1 29 29 LEU H H 1 9.08 0.02 . 1 . . . . 442 LEU H . 18477 1 34 . 1 1 29 29 LEU N N 15 118.488 0.05 . 1 . . . . 442 LEU N . 18477 1 35 . 1 1 30 30 ASN H H 1 7.691 0.02 . 1 . . . . 443 ASN H . 18477 1 36 . 1 1 30 30 ASN N N 15 117.424 0.05 . 1 . . . . 443 ASN N . 18477 1 37 . 1 1 31 31 TRP H H 1 8.243 0.02 . 1 . . . . 444 TRP H . 18477 1 38 . 1 1 31 31 TRP N N 15 120.824 0.05 . 1 . . . . 444 TRP N . 18477 1 39 . 1 1 32 32 MET H H 1 9.059 0.02 . 1 . . . . 445 MET H . 18477 1 40 . 1 1 32 32 MET N N 15 119.296 0.05 . 1 . . . . 445 MET N . 18477 1 41 . 1 1 33 33 LYS H H 1 7.988 0.02 . 1 . . . . 446 LYS H . 18477 1 42 . 1 1 33 33 LYS N N 15 118.233 0.05 . 1 . . . . 446 LYS N . 18477 1 43 . 1 1 34 34 GLU H H 1 7.045 0.02 . 1 . . . . 447 GLU H . 18477 1 44 . 1 1 34 34 GLU N N 15 113.251 0.05 . 1 . . . . 447 GLU N . 18477 1 45 . 1 1 35 35 ASN H H 1 7.476 0.02 . 1 . . . . 448 ASN H . 18477 1 46 . 1 1 35 35 ASN N N 15 112.971 0.05 . 1 . . . . 448 ASN N . 18477 1 47 . 1 1 36 36 LEU H H 1 7.216 0.02 . 1 . . . . 449 LEU H . 18477 1 48 . 1 1 36 36 LEU N N 15 118.887 0.05 . 1 . . . . 449 LEU N . 18477 1 49 . 1 1 37 37 GLU H H 1 8.228 0.02 . 1 . . . . 450 GLU H . 18477 1 50 . 1 1 37 37 GLU N N 15 121.599 0.05 . 1 . . . . 450 GLU N . 18477 1 51 . 1 1 38 38 ALA H H 1 8.4 0.02 . 1 . . . . 451 ALA H . 18477 1 52 . 1 1 38 38 ALA N N 15 126.781 0.05 . 1 . . . . 451 ALA N . 18477 1 53 . 1 1 39 39 GLN H H 1 8.458 0.02 . 1 . . . . 452 GLN H . 18477 1 54 . 1 1 39 39 GLN N N 15 119.571 0.05 . 1 . . . . 452 GLN N . 18477 1 55 . 1 1 40 40 ASP H H 1 8.429 0.02 . 1 . . . . 453 ASP H . 18477 1 56 . 1 1 40 40 ASP N N 15 121.982 0.05 . 1 . . . . 453 ASP N . 18477 1 57 . 1 1 41 41 TYR H H 1 7.968 0.02 . 1 . . . . 454 TYR H . 18477 1 58 . 1 1 41 41 TYR N N 15 121.378 0.05 . 1 . . . . 454 TYR N . 18477 1 59 . 1 1 42 42 LEU H H 1 7.819 0.02 . 1 . . . . 455 LEU H . 18477 1 60 . 1 1 42 42 LEU N N 15 121.313 0.05 . 1 . . . . 455 LEU N . 18477 1 61 . 1 1 43 43 LYS H H 1 7.92 0.02 . 1 . . . . 456 LYS H . 18477 1 62 . 1 1 43 43 LYS N N 15 120.277 0.05 . 1 . . . . 456 LYS N . 18477 1 63 . 1 1 44 44 ALA H H 1 8 0.02 . 1 . . . . 457 ALA H . 18477 1 64 . 1 1 44 44 ALA N N 15 122.89 0.05 . 1 . . . . 457 ALA N . 18477 1 65 . 1 1 45 45 TYR H H 1 7.667 0.02 . 1 . . . . 458 TYR H . 18477 1 66 . 1 1 45 45 TYR N N 15 115.541 0.05 . 1 . . . . 458 TYR N . 18477 1 67 . 1 1 46 46 GLU H H 1 7.872 0.02 . 1 . . . . 459 GLU H . 18477 1 68 . 1 1 46 46 GLU N N 15 120.683 0.05 . 1 . . . . 459 GLU N . 18477 1 69 . 1 1 47 47 LYS H H 1 8.112 0.02 . 1 . . . . 460 LYS H . 18477 1 70 . 1 1 47 47 LYS N N 15 121.39 0.05 . 1 . . . . 460 LYS N . 18477 1 71 . 1 1 49 49 ASP H H 1 8.531 0.02 . 1 . . . . 462 ASP H . 18477 1 72 . 1 1 49 49 ASP N N 15 120.932 0.05 . 1 . . . . 462 ASP N . 18477 1 73 . 1 1 50 50 TYR H H 1 7.378 0.02 . 1 . . . . 463 TYR H . 18477 1 74 . 1 1 50 50 TYR N N 15 113.649 0.05 . 1 . . . . 463 TYR N . 18477 1 75 . 1 1 51 51 ALA H H 1 8.47 0.02 . 1 . . . . 464 ALA H . 18477 1 76 . 1 1 51 51 ALA N N 15 120.349 0.05 . 1 . . . . 464 ALA N . 18477 1 77 . 1 1 52 52 VAL H H 1 9.066 0.02 . 1 . . . . 465 VAL H . 18477 1 78 . 1 1 52 52 VAL N N 15 121.317 0.05 . 1 . . . . 465 VAL N . 18477 1 79 . 1 1 53 53 LEU H H 1 9.397 0.02 . 1 . . . . 466 LEU H . 18477 1 80 . 1 1 53 53 LEU N N 15 131.096 0.05 . 1 . . . . 466 LEU N . 18477 1 81 . 1 1 54 54 SER H H 1 8.683 0.02 . 1 . . . . 467 SER H . 18477 1 82 . 1 1 54 54 SER N N 15 121.884 0.05 . 1 . . . . 467 SER N . 18477 1 83 . 1 1 55 55 TRP H H 1 8.7 0.02 . 1 . . . . 468 TRP H . 18477 1 84 . 1 1 55 55 TRP N N 15 116.576 0.05 . 1 . . . . 468 TRP N . 18477 1 85 . 1 1 57 57 ASP H H 1 6.125 0.02 . 1 . . . . 470 ASP H . 18477 1 86 . 1 1 57 57 ASP N N 15 120.557 0.05 . 1 . . . . 470 ASP N . 18477 1 87 . 1 1 58 58 TYR H H 1 6.146 0.02 . 1 . . . . 471 TYR H . 18477 1 88 . 1 1 58 58 TYR N N 15 115.554 0.05 . 1 . . . . 471 TYR N . 18477 1 89 . 1 1 59 59 GLY H H 1 7.788 0.02 . 1 . . . . 472 GLY H . 18477 1 90 . 1 1 59 59 GLY N N 15 106.459 0.05 . 1 . . . . 472 GLY N . 18477 1 91 . 1 1 60 60 ASN H H 1 8.774 0.02 . 1 . . . . 473 ASN H . 18477 1 92 . 1 1 60 60 ASN N N 15 120.406 0.05 . 1 . . . . 473 ASN N . 18477 1 93 . 1 1 61 61 TRP H H 1 7.694 0.02 . 1 . . . . 474 TRP H . 18477 1 94 . 1 1 61 61 TRP N N 15 120.564 0.05 . 1 . . . . 474 TRP N . 18477 1 95 . 1 1 62 62 ILE H H 1 7.755 0.02 . 1 . . . . 475 ILE H . 18477 1 96 . 1 1 62 62 ILE N N 15 121.45 0.05 . 1 . . . . 475 ILE N . 18477 1 97 . 1 1 63 63 LEU H H 1 8.458 0.02 . 1 . . . . 476 LEU H . 18477 1 98 . 1 1 63 63 LEU N N 15 120.064 0.05 . 1 . . . . 476 LEU N . 18477 1 99 . 1 1 64 64 TYR H H 1 8.39 0.02 . 1 . . . . 477 TYR H . 18477 1 100 . 1 1 64 64 TYR N N 15 113.432 0.05 . 1 . . . . 477 TYR N . 18477 1 101 . 1 1 65 65 VAL H H 1 8.552 0.02 . 1 . . . . 478 VAL H . 18477 1 102 . 1 1 65 65 VAL N N 15 118.858 0.05 . 1 . . . . 478 VAL N . 18477 1 103 . 1 1 66 66 ALA H H 1 7.311 0.02 . 1 . . . . 479 ALA H . 18477 1 104 . 1 1 66 66 ALA N N 15 117.477 0.05 . 1 . . . . 479 ALA N . 18477 1 105 . 1 1 67 67 LYS H H 1 7.027 0.02 . 1 . . . . 480 LYS H . 18477 1 106 . 1 1 67 67 LYS N N 15 112.398 0.05 . 1 . . . . 480 LYS N . 18477 1 107 . 1 1 68 68 LYS H H 1 7.606 0.02 . 1 . . . . 481 LYS H . 18477 1 108 . 1 1 68 68 LYS N N 15 117.758 0.05 . 1 . . . . 481 LYS N . 18477 1 109 . 1 1 69 69 ALA H H 1 8.016 0.02 . 1 . . . . 482 ALA H . 18477 1 110 . 1 1 69 69 ALA N N 15 120.598 0.05 . 1 . . . . 482 ALA N . 18477 1 111 . 1 1 70 70 VAL H H 1 7.841 0.02 . 1 . . . . 483 VAL H . 18477 1 112 . 1 1 70 70 VAL N N 15 108.45 0.05 . 1 . . . . 483 VAL N . 18477 1 113 . 1 1 76 76 GLN H H 1 7.684 0.02 . 1 . . . . 489 GLN H . 18477 1 114 . 1 1 76 76 GLN N N 15 118.107 0.05 . 1 . . . . 489 GLN N . 18477 1 115 . 1 1 77 77 ALA H H 1 7.389 0.02 . 1 . . . . 490 ALA H . 18477 1 116 . 1 1 77 77 ALA N N 15 122.985 0.05 . 1 . . . . 490 ALA N . 18477 1 117 . 1 1 78 78 GLY H H 1 8.677 0.02 . 1 . . . . 491 GLY H . 18477 1 118 . 1 1 78 78 GLY N N 15 111.606 0.05 . 1 . . . . 491 GLY N . 18477 1 119 . 1 1 79 79 ALA H H 1 7.545 0.02 . 1 . . . . 492 VAL H . 18477 1 120 . 1 1 79 79 ALA N N 15 124.842 0.05 . 1 . . . . 492 VAL N . 18477 1 121 . 1 1 80 80 ASP H H 1 8.837 0.02 . 1 . . . . 493 ASP H . 18477 1 122 . 1 1 80 80 ASP N N 15 117.925 0.05 . 1 . . . . 493 ASP N . 18477 1 123 . 1 1 81 81 ASP H H 1 7.861 0.02 . 1 . . . . 494 ASP H . 18477 1 124 . 1 1 81 81 ASP N N 15 122.911 0.05 . 1 . . . . 494 ASP N . 18477 1 125 . 1 1 82 82 ALA H H 1 7.78 0.02 . 1 . . . . 495 ALA H . 18477 1 126 . 1 1 82 82 ALA N N 15 120.921 0.05 . 1 . . . . 495 ALA N . 18477 1 127 . 1 1 83 83 ALA H H 1 9.323 0.02 . 1 . . . . 496 ALA H . 18477 1 128 . 1 1 83 83 ALA N N 15 120.27 0.05 . 1 . . . . 496 ALA N . 18477 1 129 . 1 1 84 84 LYS H H 1 8.982 0.02 . 1 . . . . 497 LYS H . 18477 1 130 . 1 1 84 84 LYS N N 15 121.362 0.05 . 1 . . . . 497 LYS N . 18477 1 131 . 1 1 85 85 PHE H H 1 8.156 0.02 . 1 . . . . 498 PHE H . 18477 1 132 . 1 1 85 85 PHE N N 15 119.129 0.05 . 1 . . . . 498 PHE N . 18477 1 133 . 1 1 86 86 PHE H H 1 8.643 0.02 . 1 . . . . 499 PHE H . 18477 1 134 . 1 1 86 86 PHE N N 15 114.792 0.05 . 1 . . . . 499 PHE N . 18477 1 135 . 1 1 87 87 THR H H 1 7.877 0.02 . 1 . . . . 500 THR H . 18477 1 136 . 1 1 87 87 THR N N 15 103.293 0.05 . 1 . . . . 500 THR N . 18477 1 137 . 1 1 88 88 ALA H H 1 7.149 0.02 . 1 . . . . 501 ALA H . 18477 1 138 . 1 1 88 88 ALA N N 15 125.762 0.05 . 1 . . . . 501 ALA N . 18477 1 139 . 1 1 89 89 GLN H H 1 8.771 0.02 . 1 . . . . 502 GLN H . 18477 1 140 . 1 1 89 89 GLN N N 15 118.974 0.05 . 1 . . . . 502 GLN N . 18477 1 141 . 1 1 90 90 SER H H 1 7.412 0.02 . 1 . . . . 503 SER H . 18477 1 142 . 1 1 90 90 SER N N 15 111.355 0.05 . 1 . . . . 503 SER N . 18477 1 143 . 1 1 92 92 GLU H H 1 8.893 0.02 . 1 . . . . 505 GLU H . 18477 1 144 . 1 1 92 92 GLU N N 15 119.225 0.05 . 1 . . . . 505 GLU N . 18477 1 145 . 1 1 93 93 GLU H H 1 7.505 0.02 . 1 . . . . 506 GLU H . 18477 1 146 . 1 1 93 93 GLU N N 15 118.664 0.05 . 1 . . . . 506 GLU N . 18477 1 147 . 1 1 94 94 ALA H H 1 7.612 0.02 . 1 . . . . 507 ALA H . 18477 1 148 . 1 1 94 94 ALA N N 15 123.066 0.05 . 1 . . . . 507 ALA N . 18477 1 149 . 1 1 95 95 MET H H 1 8.734 0.02 . 1 . . . . 508 MET H . 18477 1 150 . 1 1 95 95 MET N N 15 115.864 0.05 . 1 . . . . 508 MET N . 18477 1 151 . 1 1 96 96 LYS H H 1 7.497 0.02 . 1 . . . . 509 LYS H . 18477 1 152 . 1 1 96 96 LYS N N 15 119.546 0.05 . 1 . . . . 509 LYS N . 18477 1 153 . 1 1 97 97 ILE H H 1 7.296 0.02 . 1 . . . . 510 ILE H . 18477 1 154 . 1 1 97 97 ILE N N 15 119.53 0.05 . 1 . . . . 510 ILE N . 18477 1 155 . 1 1 98 98 VAL H H 1 7.54 0.02 . 1 . . . . 511 VAL H . 18477 1 156 . 1 1 98 98 VAL N N 15 120.782 0.05 . 1 . . . . 511 VAL N . 18477 1 157 . 1 1 99 99 GLU H H 1 8.239 0.02 . 1 . . . . 512 GLU H . 18477 1 158 . 1 1 99 99 GLU N N 15 117.501 0.05 . 1 . . . . 512 GLU N . 18477 1 159 . 1 1 100 100 LYS H H 1 7.537 0.02 . 1 . . . . 513 LYS H . 18477 1 160 . 1 1 100 100 LYS N N 15 119.761 0.05 . 1 . . . . 513 LYS N . 18477 1 161 . 1 1 101 101 ARG H H 1 7.845 0.02 . 1 . . . . 514 ARG H . 18477 1 162 . 1 1 101 101 ARG N N 15 111.842 0.05 . 1 . . . . 514 ARG N . 18477 1 163 . 1 1 102 102 LYS H H 1 7.667 0.02 . 1 . . . . 515 LYS H . 18477 1 164 . 1 1 102 102 LYS N N 15 118.459 0.05 . 1 . . . . 515 LYS N . 18477 1 165 . 1 1 103 103 VAL H H 1 8.114 0.02 . 1 . . . . 516 VAL H . 18477 1 166 . 1 1 103 103 VAL N N 15 119.01 0.05 . 1 . . . . 516 VAL N . 18477 1 167 . 1 1 104 104 ARG H H 1 8.371 0.02 . 1 . . . . 517 ARG H . 18477 1 168 . 1 1 104 104 ARG N N 15 124.652 0.05 . 1 . . . . 517 ARG N . 18477 1 169 . 1 1 105 105 TYR H H 1 7.324 0.02 . 1 . . . . 518 TYR H . 18477 1 170 . 1 1 105 105 TYR N N 15 112.381 0.05 . 1 . . . . 518 TYR N . 18477 1 171 . 1 1 106 106 VAL H H 1 9.335 0.02 . 1 . . . . 519 VAL H . 18477 1 172 . 1 1 106 106 VAL N N 15 121.949 0.05 . 1 . . . . 519 VAL N . 18477 1 173 . 1 1 107 107 VAL H H 1 9.025 0.02 . 1 . . . . 520 VAL H . 18477 1 174 . 1 1 107 107 VAL N N 15 127.475 0.05 . 1 . . . . 520 VAL N . 18477 1 175 . 1 1 108 108 THR H H 1 9.592 0.02 . 1 . . . . 521 THR H . 18477 1 176 . 1 1 108 108 THR N N 15 119.814 0.05 . 1 . . . . 521 THR N . 18477 1 177 . 1 1 109 109 VAL H H 1 5.881 0.02 . 1 . . . . 522 VAL H . 18477 1 178 . 1 1 109 109 VAL N N 15 114.75 0.05 . 1 . . . . 522 VAL N . 18477 1 179 . 1 1 110 110 GLU H H 1 8.752 0.02 . 1 . . . . 523 GLU H . 18477 1 180 . 1 1 110 110 GLU N N 15 129.332 0.05 . 1 . . . . 523 GLU N . 18477 1 181 . 1 1 111 111 GLU H H 1 8.699 0.02 . 1 . . . . 524 GLU H . 18477 1 182 . 1 1 111 111 GLU N N 15 117.009 0.05 . 1 . . . . 524 GLU N . 18477 1 183 . 1 1 112 112 LEU H H 1 7.768 0.02 . 1 . . . . 525 LEU H . 18477 1 184 . 1 1 112 112 LEU N N 15 116.059 0.05 . 1 . . . . 525 LEU N . 18477 1 185 . 1 1 113 113 THR H H 1 7.425 0.02 . 1 . . . . 526 THR H . 18477 1 186 . 1 1 113 113 THR N N 15 101.945 0.05 . 1 . . . . 526 THR N . 18477 1 187 . 1 1 117 117 GLU H H 1 8.723 0.02 . 1 . . . . 530 GLU H . 18477 1 188 . 1 1 117 117 GLU N N 15 114.811 0.05 . 1 . . . . 530 GLU N . 18477 1 189 . 1 1 118 118 THR H H 1 7.51 0.02 . 1 . . . . 531 THR H . 18477 1 190 . 1 1 118 118 THR N N 15 114.173 0.05 . 1 . . . . 531 THR N . 18477 1 191 . 1 1 121 121 THR H H 1 7.978 0.02 . 1 . . . . 534 THR H . 18477 1 192 . 1 1 121 121 THR N N 15 117.445 0.05 . 1 . . . . 534 THR N . 18477 1 193 . 1 1 122 122 LYS H H 1 8.431 0.02 . 1 . . . . 535 LYS H . 18477 1 194 . 1 1 122 122 LYS N N 15 125.919 0.05 . 1 . . . . 535 LYS N . 18477 1 195 . 1 1 123 123 PHE H H 1 8.857 0.02 . 1 . . . . 536 PHE H . 18477 1 196 . 1 1 123 123 PHE N N 15 121.409 0.05 . 1 . . . . 536 PHE N . 18477 1 197 . 1 1 124 124 ILE H H 1 6.771 0.02 . 1 . . . . 537 ILE H . 18477 1 198 . 1 1 124 124 ILE N N 15 114.167 0.05 . 1 . . . . 537 ILE N . 18477 1 199 . 1 1 126 126 ILE H H 1 6.774 0.02 . 1 . . . . 539 ILE H . 18477 1 200 . 1 1 126 126 ILE N N 15 117.43 0.05 . 1 . . . . 539 ILE N . 18477 1 201 . 1 1 127 127 MET H H 1 7.907 0.02 . 1 . . . . 540 MET H . 18477 1 202 . 1 1 127 127 MET N N 15 117.769 0.05 . 1 . . . . 540 MET N . 18477 1 203 . 1 1 128 128 GLN H H 1 8.294 0.02 . 1 . . . . 541 GLN H . 18477 1 204 . 1 1 128 128 GLN N N 15 117.876 0.05 . 1 . . . . 541 GLN N . 18477 1 205 . 1 1 129 129 ILE H H 1 8.531 0.02 . 1 . . . . 542 ILE H . 18477 1 206 . 1 1 129 129 ILE N N 15 122.325 0.05 . 1 . . . . 542 ILE N . 18477 1 207 . 1 1 130 130 ALA H H 1 7.952 0.02 . 1 . . . . 543 ALA H . 18477 1 208 . 1 1 130 130 ALA N N 15 120.983 0.05 . 1 . . . . 543 ALA N . 18477 1 209 . 1 1 131 131 GLY H H 1 7.609 0.02 . 1 . . . . 544 GLY H . 18477 1 210 . 1 1 131 131 GLY N N 15 104.178 0.05 . 1 . . . . 544 GLY N . 18477 1 211 . 1 1 132 132 TYR H H 1 8.071 0.02 . 1 . . . . 545 TYR H . 18477 1 212 . 1 1 132 132 TYR N N 15 119.845 0.05 . 1 . . . . 545 TYR N . 18477 1 213 . 1 1 133 133 SER H H 1 8.668 0.02 . 1 . . . . 546 SER H . 18477 1 214 . 1 1 133 133 SER N N 15 112.936 0.05 . 1 . . . . 546 SER N . 18477 1 215 . 1 1 135 135 GLU H H 1 10.242 0.02 . 1 . . . . 548 GLU H . 18477 1 216 . 1 1 135 135 GLU N N 15 121.671 0.05 . 1 . . . . 548 GLU N . 18477 1 217 . 1 1 136 136 TYR H H 1 7.356 0.02 . 1 . . . . 549 TYR H . 18477 1 218 . 1 1 136 136 TYR N N 15 117.838 0.05 . 1 . . . . 549 TYR N . 18477 1 219 . 1 1 137 137 MET H H 1 7.644 0.02 . 1 . . . . 550 MET H . 18477 1 220 . 1 1 137 137 MET N N 15 120.117 0.05 . 1 . . . . 550 MET N . 18477 1 221 . 1 1 138 138 LYS H H 1 8.906 0.02 . 1 . . . . 551 LYS H . 18477 1 222 . 1 1 138 138 LYS N N 15 121.339 0.05 . 1 . . . . 551 LYS N . 18477 1 223 . 1 1 140 140 LYS H H 1 8.691 0.02 . 1 . . . . 553 LYS H . 18477 1 224 . 1 1 140 140 LYS N N 15 117.534 0.05 . 1 . . . . 553 LYS N . 18477 1 225 . 1 1 141 141 GLU H H 1 7.011 0.02 . 1 . . . . 554 GLU H . 18477 1 226 . 1 1 141 141 GLU N N 15 116.674 0.05 . 1 . . . . 554 GLU N . 18477 1 227 . 1 1 142 142 ILE H H 1 7.88 0.02 . 1 . . . . 555 ILE H . 18477 1 228 . 1 1 142 142 ILE N N 15 122.099 0.05 . 1 . . . . 555 ILE N . 18477 1 229 . 1 1 143 143 ILE H H 1 7.942 0.02 . 1 . . . . 556 ILE H . 18477 1 230 . 1 1 143 143 ILE N N 15 121.376 0.05 . 1 . . . . 556 ILE N . 18477 1 231 . 1 1 144 144 ASP H H 1 8.103 0.02 . 1 . . . . 557 ASP H . 18477 1 232 . 1 1 144 144 ASP N N 15 119.537 0.05 . 1 . . . . 557 ASP N . 18477 1 233 . 1 1 145 145 PHE H H 1 7.837 0.02 . 1 . . . . 558 PHE H . 18477 1 234 . 1 1 145 145 PHE N N 15 119.324 0.05 . 1 . . . . 558 PHE N . 18477 1 235 . 1 1 146 146 PHE H H 1 9.013 0.02 . 1 . . . . 559 PHE H . 18477 1 236 . 1 1 146 146 PHE N N 15 120.268 0.05 . 1 . . . . 559 PHE N . 18477 1 237 . 1 1 147 147 ASN H H 1 8.107 0.02 . 1 . . . . 560 ASN H . 18477 1 238 . 1 1 147 147 ASN N N 15 117.428 0.05 . 1 . . . . 560 ASN N . 18477 1 239 . 1 1 148 148 LYS H H 1 7.229 0.02 . 1 . . . . 561 LYS H . 18477 1 240 . 1 1 148 148 LYS N N 15 117.012 0.05 . 1 . . . . 561 LYS N . 18477 1 241 . 1 1 149 149 THR H H 1 7.426 0.02 . 1 . . . . 562 THR H . 18477 1 242 . 1 1 149 149 THR N N 15 108.387 0.05 . 1 . . . . 562 THR N . 18477 1 243 . 1 1 150 150 MET H H 1 8.121 0.02 . 1 . . . . 563 MET H . 18477 1 244 . 1 1 150 150 MET N N 15 119.263 0.05 . 1 . . . . 563 MET N . 18477 1 245 . 1 1 151 151 LEU H H 1 8.115 0.02 . 1 . . . . 564 LEU H . 18477 1 246 . 1 1 151 151 LEU N N 15 117.983 0.05 . 1 . . . . 564 LEU N . 18477 1 247 . 1 1 152 152 TYR H H 1 7.213 0.02 . 1 . . . . 565 TYR H . 18477 1 248 . 1 1 152 152 TYR N N 15 120.978 0.05 . 1 . . . . 565 TYR N . 18477 1 249 . 1 1 153 153 LYS H H 1 8.011 0.02 . 1 . . . . 566 LYS H . 18477 1 250 . 1 1 153 153 LYS N N 15 119.949 0.05 . 1 . . . . 566 LYS N . 18477 1 251 . 1 1 154 154 LEU H H 1 8.232 0.02 . 1 . . . . 567 LYS H . 18477 1 252 . 1 1 154 154 LEU N N 15 117.86 0.05 . 1 . . . . 567 LYS N . 18477 1 253 . 1 1 155 155 HIS H H 1 8.351 0.02 . 1 . . . . 568 HIS H . 18477 1 254 . 1 1 155 155 HIS N N 15 115.987 0.05 . 1 . . . . 568 HIS N . 18477 1 255 . 1 1 156 156 VAL H H 1 7.75 0.02 . 1 . . . . 569 VAL H . 18477 1 256 . 1 1 156 156 VAL N N 15 115.192 0.05 . 1 . . . . 569 VAL N . 18477 1 257 . 1 1 157 157 GLU H H 1 6.67 0.02 . 1 . . . . 570 GLU H . 18477 1 258 . 1 1 157 157 GLU N N 15 112.971 0.05 . 1 . . . . 570 GLU N . 18477 1 259 . 1 1 158 158 ASN H H 1 7.287 0.02 . 1 . . . . 571 ASN H . 18477 1 260 . 1 1 158 158 ASN N N 15 116.931 0.05 . 1 . . . . 571 ASN N . 18477 1 261 . 1 1 159 159 ALA H H 1 8.504 0.02 . 1 . . . . 572 ALA H . 18477 1 262 . 1 1 159 159 ALA N N 15 112.176 0.05 . 1 . . . . 572 ALA N . 18477 1 263 . 1 1 160 160 THR H H 1 7.761 0.02 . 1 . . . . 573 THR H . 18477 1 264 . 1 1 160 160 THR N N 15 113.564 0.05 . 1 . . . . 573 THR N . 18477 1 265 . 1 1 161 161 ASN H H 1 8.958 0.02 . 1 . . . . 574 ASN H . 18477 1 266 . 1 1 161 161 ASN N N 15 118.246 0.05 . 1 . . . . 574 ASN N . 18477 1 267 . 1 1 162 162 LEU H H 1 7.202 0.02 . 1 . . . . 575 LEU H . 18477 1 268 . 1 1 162 162 LEU N N 15 118.878 0.05 . 1 . . . . 575 LEU N . 18477 1 269 . 1 1 163 163 THR H H 1 10.748 0.02 . 1 . . . . 576 THR H . 18477 1 270 . 1 1 163 163 THR N N 15 119.365 0.05 . 1 . . . . 576 THR N . 18477 1 271 . 1 1 164 164 HIS H H 1 10.59 0.02 . 1 . . . . 577 HIS H . 18477 1 272 . 1 1 164 164 HIS N N 15 121.09 0.05 . 1 . . . . 577 HIS N . 18477 1 273 . 1 1 165 165 PHE H H 1 6.76 0.02 . 1 . . . . 578 PHE H . 18477 1 274 . 1 1 165 165 PHE N N 15 113.051 0.05 . 1 . . . . 578 PHE N . 18477 1 275 . 1 1 166 166 ARG H H 1 8.862 0.02 . 1 . . . . 579 ARG H . 18477 1 276 . 1 1 166 166 ARG N N 15 118.371 0.05 . 1 . . . . 579 ARG N . 18477 1 277 . 1 1 167 167 LEU H H 1 9.184 0.02 . 1 . . . . 580 LEU H . 18477 1 278 . 1 1 167 167 LEU N N 15 127.471 0.05 . 1 . . . . 580 LEU N . 18477 1 279 . 1 1 168 168 LEU H H 1 9.262 0.02 . 1 . . . . 581 LEU H . 18477 1 280 . 1 1 168 168 LEU N N 15 131.214 0.05 . 1 . . . . 581 LEU N . 18477 1 281 . 1 1 169 169 LYS H H 1 7.178 0.02 . 1 . . . . 582 LYS H . 18477 1 282 . 1 1 169 169 LYS N N 15 115.596 0.05 . 1 . . . . 582 LYS N . 18477 1 283 . 1 1 171 171 PHE H H 1 8.564 0.02 . 1 . . . . 584 PHE H . 18477 1 284 . 1 1 171 171 PHE N N 15 125.961 0.05 . 1 . . . . 584 PHE N . 18477 1 285 . 1 1 172 172 GLY H H 1 8.151 0.02 . 1 . . . . 585 GLY H . 18477 1 286 . 1 1 172 172 GLY N N 15 108.241 0.05 . 1 . . . . 585 GLY N . 18477 1 287 . 1 1 173 173 THR H H 1 8.423 0.02 . 1 . . . . 586 THR H . 18477 1 288 . 1 1 173 173 THR N N 15 117.907 0.05 . 1 . . . . 586 THR N . 18477 1 289 . 1 1 174 174 VAL H H 1 6.894 0.02 . 1 . . . . 587 VAL H . 18477 1 290 . 1 1 174 174 VAL N N 15 122.443 0.05 . 1 . . . . 587 VAL N . 18477 1 291 . 1 1 175 175 LYS H H 1 8.746 0.02 . 1 . . . . 588 LYS H . 18477 1 292 . 1 1 175 175 LYS N N 15 125.259 0.05 . 1 . . . . 588 LYS N . 18477 1 293 . 1 1 176 176 ILE H H 1 8.012 0.02 . 1 . . . . 589 ILE H . 18477 1 294 . 1 1 176 176 ILE N N 15 118.332 0.05 . 1 . . . . 589 ILE N . 18477 1 295 . 1 1 177 177 PHE H H 1 10.002 0.02 . 1 . . . . 590 PHE H . 18477 1 296 . 1 1 177 177 PHE N N 15 126.151 0.05 . 1 . . . . 590 PHE N . 18477 1 297 . 1 1 178 178 GLU H H 1 9.384 0.02 . 1 . . . . 591 GLU H . 18477 1 298 . 1 1 178 178 GLU N N 15 122.568 0.05 . 1 . . . . 591 GLU N . 18477 1 299 . 1 1 179 179 VAL H H 1 7.801 0.02 . 1 . . . . 592 VAL H . 18477 1 300 . 1 1 179 179 VAL N N 15 125.67 0.05 . 1 . . . . 592 VAL N . 18477 1 301 . 1 1 180 180 LYS H H 1 8.317 0.02 . 1 . . . . 593 LYS H . 18477 1 302 . 1 1 180 180 LYS N N 15 132.963 0.05 . 1 . . . . 593 LYS N . 18477 1 stop_ save_