################################### # 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 30426 _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 $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 HMQC . . . 30426 1 2 TROSY . . . 30426 1 3 CPMG-HMQC . . . 30426 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.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 ILE H H 1 9.15228 . . 1 . . . . A 318 ILE H . 30426 1 2 . 1 1 3 3 ILE HD11 H 1 0.2386 . . 1 . . . . A 318 ILE HD11 . 30426 1 3 . 1 1 3 3 ILE HD12 H 1 0.2386 . . 1 . . . . A 318 ILE HD12 . 30426 1 4 . 1 1 3 3 ILE HD13 H 1 0.2386 . . 1 . . . . A 318 ILE HD13 . 30426 1 5 . 1 1 3 3 ILE CD1 C 13 14.01135 . . 1 . . . . A 318 ILE CD1 . 30426 1 6 . 1 1 3 3 ILE N N 15 131.86875 . . 1 . . . . A 318 ILE N . 30426 1 7 . 1 1 5 5 ASP H H 1 7.77475 . . 1 . . . . A 320 ASP H . 30426 1 8 . 1 1 5 5 ASP N N 15 119.08679 . . 1 . . . . A 320 ASP N . 30426 1 9 . 1 1 6 6 GLY H H 1 7.52464 . . 1 . . . . A 321 GLY H . 30426 1 10 . 1 1 6 6 GLY N N 15 103.72746 . . 1 . . . . A 321 GLY N . 30426 1 11 . 1 1 7 7 ASN H H 1 9.79611 . . 1 . . . . A 322 ASN H . 30426 1 12 . 1 1 7 7 ASN N N 15 116.11712 . . 1 . . . . A 322 ASN N . 30426 1 13 . 1 1 9 9 ASP H H 1 9.79224 . . 1 . . . . A 324 ASP H . 30426 1 14 . 1 1 9 9 ASP N N 15 122.57128 . . 1 . . . . A 324 ASP N . 30426 1 15 . 1 1 11 11 VAL H H 1 7.75803 . . 1 . . . . A 326 VAL H . 30426 1 16 . 1 1 11 11 VAL HG11 H 1 0.36875 . . 2 . . . . A 326 VAL HG11 . 30426 1 17 . 1 1 11 11 VAL HG12 H 1 0.36875 . . 2 . . . . A 326 VAL HG12 . 30426 1 18 . 1 1 11 11 VAL HG13 H 1 0.36875 . . 2 . . . . A 326 VAL HG13 . 30426 1 19 . 1 1 11 11 VAL CG1 C 13 20.82441 . . 2 . . . . A 326 VAL CG1 . 30426 1 20 . 1 1 11 11 VAL N N 15 123.46026 . . 1 . . . . A 326 VAL N . 30426 1 21 . 1 1 12 12 ALA H H 1 9.43728 . . 1 . . . . A 327 ALA H . 30426 1 22 . 1 1 12 12 ALA N N 15 126.83061 . . 1 . . . . A 327 ALA N . 30426 1 23 . 1 1 14 14 LEU HD11 H 1 0.20934 . . 2 . . . . A 329 LEU HD11 . 30426 1 24 . 1 1 14 14 LEU HD12 H 1 0.20934 . . 2 . . . . A 329 LEU HD12 . 30426 1 25 . 1 1 14 14 LEU HD13 H 1 0.20934 . . 2 . . . . A 329 LEU HD13 . 30426 1 26 . 1 1 14 14 LEU HD21 H 1 0.96683 . . 2 . . . . A 329 LEU HD21 . 30426 1 27 . 1 1 14 14 LEU HD22 H 1 0.96683 . . 2 . . . . A 329 LEU HD22 . 30426 1 28 . 1 1 14 14 LEU HD23 H 1 0.96683 . . 2 . . . . A 329 LEU HD23 . 30426 1 29 . 1 1 14 14 LEU CD1 C 13 21.73873 . . 2 . . . . A 329 LEU CD1 . 30426 1 30 . 1 1 14 14 LEU CD2 C 13 26.65986 . . 2 . . . . A 329 LEU CD2 . 30426 1 31 . 1 1 16 16 GLY H H 1 8.67044 . . 1 . . . . A 331 GLY H . 30426 1 32 . 1 1 16 16 GLY N N 15 103.25054 . . 1 . . . . A 331 GLY N . 30426 1 33 . 1 1 19 19 PHE H H 1 9.10558 . . 1 . . . . A 334 PHE H . 30426 1 34 . 1 1 19 19 PHE N N 15 125.30938 . . 1 . . . . A 334 PHE N . 30426 1 35 . 1 1 20 20 VAL H H 1 8.72922 . . 1 . . . . A 335 VAL H . 30426 1 36 . 1 1 20 20 VAL HG11 H 1 0.1187 . . 2 . . . . A 335 VAL HG11 . 30426 1 37 . 1 1 20 20 VAL HG12 H 1 0.1187 . . 2 . . . . A 335 VAL HG12 . 30426 1 38 . 1 1 20 20 VAL HG13 H 1 0.1187 . . 2 . . . . A 335 VAL HG13 . 30426 1 39 . 1 1 20 20 VAL HG21 H 1 0.50621 . . 2 . . . . A 335 VAL HG21 . 30426 1 40 . 1 1 20 20 VAL HG22 H 1 0.50621 . . 2 . . . . A 335 VAL HG22 . 30426 1 41 . 1 1 20 20 VAL HG23 H 1 0.50621 . . 2 . . . . A 335 VAL HG23 . 30426 1 42 . 1 1 20 20 VAL CG1 C 13 20.05812 . . 2 . . . . A 335 VAL CG1 . 30426 1 43 . 1 1 20 20 VAL CG2 C 13 20.28509 . . 2 . . . . A 335 VAL CG2 . 30426 1 44 . 1 1 20 20 VAL N N 15 122.40452 . . 1 . . . . A 335 VAL N . 30426 1 45 . 1 1 22 22 LYS H H 1 9.78737 . . 1 . . . . A 337 LYS H . 30426 1 46 . 1 1 22 22 LYS N N 15 124.42589 . . 1 . . . . A 337 LYS N . 30426 1 47 . 1 1 26 26 PHE H H 1 9.1129 . . 1 . . . . A 341 PHE H . 30426 1 48 . 1 1 26 26 PHE N N 15 115.22995 . . 1 . . . . A 341 PHE N . 30426 1 49 . 1 1 27 27 TRP H H 1 9.40712 . . 1 . . . . A 342 TRP H . 30426 1 50 . 1 1 27 27 TRP N N 15 116.47907 . . 1 . . . . A 342 TRP N . 30426 1 51 . 1 1 29 29 VAL H H 1 8.00339 . . 1 . . . . A 344 VAL H . 30426 1 52 . 1 1 29 29 VAL HG11 H 1 0.43133 . . 2 . . . . A 344 VAL HG11 . 30426 1 53 . 1 1 29 29 VAL HG12 H 1 0.43133 . . 2 . . . . A 344 VAL HG12 . 30426 1 54 . 1 1 29 29 VAL HG13 H 1 0.43133 . . 2 . . . . A 344 VAL HG13 . 30426 1 55 . 1 1 29 29 VAL HG21 H 1 0.5958 . . 2 . . . . A 344 VAL HG21 . 30426 1 56 . 1 1 29 29 VAL HG22 H 1 0.5958 . . 2 . . . . A 344 VAL HG22 . 30426 1 57 . 1 1 29 29 VAL HG23 H 1 0.5958 . . 2 . . . . A 344 VAL HG23 . 30426 1 58 . 1 1 29 29 VAL CG1 C 13 20.17349 . . 2 . . . . A 344 VAL CG1 . 30426 1 59 . 1 1 29 29 VAL CG2 C 13 21.03247 . . 2 . . . . A 344 VAL CG2 . 30426 1 60 . 1 1 29 29 VAL N N 15 122.20113 . . 1 . . . . A 344 VAL N . 30426 1 61 . 1 1 32 32 ASN H H 1 8.83504 . . 1 . . . . A 347 ASN H . 30426 1 62 . 1 1 32 32 ASN N N 15 111.51392 . . 1 . . . . A 347 ASN N . 30426 1 63 . 1 1 33 33 GLN H H 1 7.27815 . . 1 . . . . A 348 GLN H . 30426 1 64 . 1 1 33 33 GLN N N 15 113.81997 . . 1 . . . . A 348 GLN N . 30426 1 65 . 1 1 34 34 VAL H H 1 8.66362 . . 1 . . . . A 349 VAL H . 30426 1 66 . 1 1 34 34 VAL HG11 H 1 1.32109 . . 2 . . . . A 349 VAL HG11 . 30426 1 67 . 1 1 34 34 VAL HG12 H 1 1.32109 . . 2 . . . . A 349 VAL HG12 . 30426 1 68 . 1 1 34 34 VAL HG13 H 1 1.32109 . . 2 . . . . A 349 VAL HG13 . 30426 1 69 . 1 1 34 34 VAL HG21 H 1 0.98059 . . 2 . . . . A 349 VAL HG21 . 30426 1 70 . 1 1 34 34 VAL HG22 H 1 0.98059 . . 2 . . . . A 349 VAL HG22 . 30426 1 71 . 1 1 34 34 VAL HG23 H 1 0.98059 . . 2 . . . . A 349 VAL HG23 . 30426 1 72 . 1 1 34 34 VAL CG1 C 13 23.31542 . . 2 . . . . A 349 VAL CG1 . 30426 1 73 . 1 1 34 34 VAL CG2 C 13 23.08597 . . 2 . . . . A 349 VAL CG2 . 30426 1 74 . 1 1 34 34 VAL N N 15 123.95963 . . 1 . . . . A 349 VAL N . 30426 1 75 . 1 1 36 36 ASP H H 1 8.46479 . . 1 . . . . A 351 ASP H . 30426 1 76 . 1 1 36 36 ASP N N 15 121.07098 . . 1 . . . . A 351 ASP N . 30426 1 77 . 1 1 40 40 MET H H 1 8.45877 . . 1 . . . . A 355 MET H . 30426 1 78 . 1 1 40 40 MET N N 15 119.02525 . . 1 . . . . A 355 MET N . 30426 1 79 . 1 1 42 42 ILE H H 1 9.18267 . . 1 . . . . A 357 ILE H . 30426 1 80 . 1 1 42 42 ILE HD11 H 1 1.26183 . . 1 . . . . A 357 ILE HD11 . 30426 1 81 . 1 1 42 42 ILE HD12 H 1 1.26183 . . 1 . . . . A 357 ILE HD12 . 30426 1 82 . 1 1 42 42 ILE HD13 H 1 1.26183 . . 1 . . . . A 357 ILE HD13 . 30426 1 83 . 1 1 42 42 ILE CD1 C 13 15.32023 . . 1 . . . . A 357 ILE CD1 . 30426 1 84 . 1 1 42 42 ILE N N 15 127.69946 . . 1 . . . . A 357 ILE N . 30426 1 85 . 1 1 43 43 GLY H H 1 8.75045 . . 1 . . . . A 358 GLY H . 30426 1 86 . 1 1 43 43 GLY N N 15 103.34536 . . 1 . . . . A 358 GLY N . 30426 1 87 . 1 1 47 47 ARG H H 1 7.30586 . . 1 . . . . A 362 ARG H . 30426 1 88 . 1 1 47 47 ARG N N 15 123.09942 . . 1 . . . . A 362 ARG N . 30426 1 89 . 1 1 49 49 LEU HD11 H 1 0.3276 . . 2 . . . . A 364 LEU HD11 . 30426 1 90 . 1 1 49 49 LEU HD12 H 1 0.3276 . . 2 . . . . A 364 LEU HD12 . 30426 1 91 . 1 1 49 49 LEU HD13 H 1 0.3276 . . 2 . . . . A 364 LEU HD13 . 30426 1 92 . 1 1 49 49 LEU CD1 C 13 23.52861 . . 2 . . . . A 364 LEU CD1 . 30426 1 93 . 1 1 51 51 ALA H H 1 7.13 . . 1 . . . . A 366 ALA H . 30426 1 94 . 1 1 51 51 ALA N N 15 112.43843 . . 1 . . . . A 366 ALA N . 30426 1 95 . 1 1 53 53 ILE HD11 H 1 0.0242 . . 1 . . . . A 368 ILE HD11 . 30426 1 96 . 1 1 53 53 ILE HD12 H 1 0.0242 . . 1 . . . . A 368 ILE HD12 . 30426 1 97 . 1 1 53 53 ILE HD13 H 1 0.0242 . . 1 . . . . A 368 ILE HD13 . 30426 1 98 . 1 1 53 53 ILE CD1 C 13 14.14592 . . 1 . . . . A 368 ILE CD1 . 30426 1 99 . 1 1 55 55 THR H H 1 7.67711 . . 1 . . . . A 370 THR H . 30426 1 100 . 1 1 55 55 THR N N 15 108.73282 . . 1 . . . . A 370 THR N . 30426 1 101 . 1 1 57 57 TYR H H 1 9.0569 . . 1 . . . . A 372 TYR H . 30426 1 102 . 1 1 57 57 TYR N N 15 116.84172 . . 1 . . . . A 372 TYR N . 30426 1 103 . 1 1 58 58 GLU H H 1 8.51912 . . 1 . . . . A 373 GLU H . 30426 1 104 . 1 1 58 58 GLU N N 15 122.13047 . . 1 . . . . A 373 GLU N . 30426 1 105 . 1 1 61 61 ASP H H 1 7.7144 . . 1 . . . . A 376 ASP H . 30426 1 106 . 1 1 61 61 ASP N N 15 114.44261 . . 1 . . . . A 376 ASP N . 30426 1 107 . 1 1 62 62 GLY H H 1 8.13329 . . 1 . . . . A 377 GLY H . 30426 1 108 . 1 1 62 62 GLY N N 15 108.55319 . . 1 . . . . A 377 GLY N . 30426 1 109 . 1 1 63 63 LYS H H 1 7.46619 . . 1 . . . . A 378 LYS H . 30426 1 110 . 1 1 63 63 LYS N N 15 118.84708 . . 1 . . . . A 378 LYS N . 30426 1 111 . 1 1 64 64 PHE H H 1 8.67539 . . 1 . . . . A 379 PHE H . 30426 1 112 . 1 1 64 64 PHE N N 15 118.82904 . . 1 . . . . A 379 PHE N . 30426 1 113 . 1 1 65 65 VAL H H 1 8.88543 . . 1 . . . . A 380 VAL H . 30426 1 114 . 1 1 65 65 VAL HG11 H 1 0.63155 . . 2 . . . . A 380 VAL HG11 . 30426 1 115 . 1 1 65 65 VAL HG12 H 1 0.63155 . . 2 . . . . A 380 VAL HG12 . 30426 1 116 . 1 1 65 65 VAL HG13 H 1 0.63155 . . 2 . . . . A 380 VAL HG13 . 30426 1 117 . 1 1 65 65 VAL HG21 H 1 0.67084 . . 2 . . . . A 380 VAL HG21 . 30426 1 118 . 1 1 65 65 VAL HG22 H 1 0.67084 . . 2 . . . . A 380 VAL HG22 . 30426 1 119 . 1 1 65 65 VAL HG23 H 1 0.67084 . . 2 . . . . A 380 VAL HG23 . 30426 1 120 . 1 1 65 65 VAL CG1 C 13 22.63949 . . 2 . . . . A 380 VAL CG1 . 30426 1 121 . 1 1 65 65 VAL CG2 C 13 20.89494 . . 2 . . . . A 380 VAL CG2 . 30426 1 122 . 1 1 65 65 VAL N N 15 122.61545 . . 1 . . . . A 380 VAL N . 30426 1 123 . 1 1 66 66 PHE H H 1 8.88539 . . 1 . . . . A 381 PHE H . 30426 1 124 . 1 1 66 66 PHE N N 15 121.80597 . . 1 . . . . A 381 PHE N . 30426 1 125 . 1 1 67 67 PHE H H 1 8.97869 . . 1 . . . . A 382 PHE H . 30426 1 126 . 1 1 67 67 PHE N N 15 118.72302 . . 1 . . . . A 382 PHE N . 30426 1 127 . 1 1 68 68 LYS H H 1 9.00062 . . 1 . . . . A 383 LYS H . 30426 1 128 . 1 1 68 68 LYS N N 15 121.72233 . . 1 . . . . A 383 LYS N . 30426 1 129 . 1 1 69 69 GLY H H 1 9.24805 . . 1 . . . . A 384 GLY H . 30426 1 130 . 1 1 69 69 GLY N N 15 120.58908 . . 1 . . . . A 384 GLY N . 30426 1 131 . 1 1 71 71 LYS H H 1 7.99984 . . 1 . . . . A 386 LYS H . 30426 1 132 . 1 1 71 71 LYS N N 15 117.70091 . . 1 . . . . A 386 LYS N . 30426 1 133 . 1 1 73 73 TRP H H 1 9.31948 . . 1 . . . . A 388 TRP H . 30426 1 134 . 1 1 73 73 TRP N N 15 120.72156 . . 1 . . . . A 388 TRP N . 30426 1 135 . 1 1 74 74 VAL HG11 H 1 0.59383 . . 2 . . . . A 389 VAL HG11 . 30426 1 136 . 1 1 74 74 VAL HG12 H 1 0.59383 . . 2 . . . . A 389 VAL HG12 . 30426 1 137 . 1 1 74 74 VAL HG13 H 1 0.59383 . . 2 . . . . A 389 VAL HG13 . 30426 1 138 . 1 1 74 74 VAL HG21 H 1 0.60859 . . 2 . . . . A 389 VAL HG21 . 30426 1 139 . 1 1 74 74 VAL HG22 H 1 0.60859 . . 2 . . . . A 389 VAL HG22 . 30426 1 140 . 1 1 74 74 VAL HG23 H 1 0.60859 . . 2 . . . . A 389 VAL HG23 . 30426 1 141 . 1 1 74 74 VAL CG1 C 13 21.72989 . . 2 . . . . A 389 VAL CG1 . 30426 1 142 . 1 1 74 74 VAL CG2 C 13 22.29243 . . 2 . . . . A 389 VAL CG2 . 30426 1 143 . 1 1 75 75 PHE H H 1 9.6801 . . 1 . . . . A 390 PHE H . 30426 1 144 . 1 1 75 75 PHE N N 15 126.44814 . . 1 . . . . A 390 PHE N . 30426 1 145 . 1 1 76 76 ASP H H 1 8.70649 . . 1 . . . . A 391 ASP H . 30426 1 146 . 1 1 76 76 ASP N N 15 120.93292 . . 1 . . . . A 391 ASP N . 30426 1 147 . 1 1 79 79 SER H H 1 8.37701 . . 1 . . . . A 394 SER H . 30426 1 148 . 1 1 79 79 SER N N 15 115.66329 . . 1 . . . . A 394 SER N . 30426 1 149 . 1 1 80 80 LEU H H 1 8.75966 . . 1 . . . . A 395 LEU H . 30426 1 150 . 1 1 80 80 LEU HD11 H 1 0.49314 . . 2 . . . . A 395 LEU HD11 . 30426 1 151 . 1 1 80 80 LEU HD12 H 1 0.49314 . . 2 . . . . A 395 LEU HD12 . 30426 1 152 . 1 1 80 80 LEU HD13 H 1 0.49314 . . 2 . . . . A 395 LEU HD13 . 30426 1 153 . 1 1 80 80 LEU HD21 H 1 0.52245 . . 2 . . . . A 395 LEU HD21 . 30426 1 154 . 1 1 80 80 LEU HD22 H 1 0.52245 . . 2 . . . . A 395 LEU HD22 . 30426 1 155 . 1 1 80 80 LEU HD23 H 1 0.52245 . . 2 . . . . A 395 LEU HD23 . 30426 1 156 . 1 1 80 80 LEU CD1 C 13 24.18485 . . 2 . . . . A 395 LEU CD1 . 30426 1 157 . 1 1 80 80 LEU CD2 C 13 24.84788 . . 2 . . . . A 395 LEU CD2 . 30426 1 158 . 1 1 80 80 LEU N N 15 132.86439 . . 1 . . . . A 395 LEU N . 30426 1 159 . 1 1 81 81 GLU H H 1 8.48163 . . 1 . . . . A 396 GLU H . 30426 1 160 . 1 1 81 81 GLU N N 15 129.798 . . 1 . . . . A 396 GLU N . 30426 1 161 . 1 1 84 84 TYR H H 1 7.49144 . . 1 . . . . A 399 TYR H . 30426 1 162 . 1 1 84 84 TYR N N 15 116.95471 . . 1 . . . . A 399 TYR N . 30426 1 163 . 1 1 86 86 LYS H H 1 7.65751 . . 1 . . . . A 401 LYS H . 30426 1 164 . 1 1 86 86 LYS N N 15 115.53835 . . 1 . . . . A 401 LYS N . 30426 1 165 . 1 1 88 88 ILE HD11 H 1 0.5439 . . 1 . . . . A 403 ILE HD11 . 30426 1 166 . 1 1 88 88 ILE HD12 H 1 0.5439 . . 1 . . . . A 403 ILE HD12 . 30426 1 167 . 1 1 88 88 ILE HD13 H 1 0.5439 . . 1 . . . . A 403 ILE HD13 . 30426 1 168 . 1 1 88 88 ILE CD1 C 13 13.27908 . . 1 . . . . A 403 ILE CD1 . 30426 1 169 . 1 1 91 91 LEU HD11 H 1 1.263 . . 2 . . . . A 406 LEU HD11 . 30426 1 170 . 1 1 91 91 LEU HD12 H 1 1.263 . . 2 . . . . A 406 LEU HD12 . 30426 1 171 . 1 1 91 91 LEU HD13 H 1 1.263 . . 2 . . . . A 406 LEU HD13 . 30426 1 172 . 1 1 91 91 LEU CD1 C 13 24.68606 . . 2 . . . . A 406 LEU CD1 . 30426 1 173 . 1 1 93 93 ARG H H 1 8.12747 . . 1 . . . . A 408 ARG H . 30426 1 174 . 1 1 93 93 ARG N N 15 119.43089 . . 1 . . . . A 408 ARG N . 30426 1 175 . 1 1 95 95 LEU H H 1 7.4613 . . 1 . . . . A 410 LEU H . 30426 1 176 . 1 1 95 95 LEU HD11 H 1 0.0904 . . 2 . . . . A 410 LEU HD11 . 30426 1 177 . 1 1 95 95 LEU HD12 H 1 0.0904 . . 2 . . . . A 410 LEU HD12 . 30426 1 178 . 1 1 95 95 LEU HD13 H 1 0.0904 . . 2 . . . . A 410 LEU HD13 . 30426 1 179 . 1 1 95 95 LEU HD21 H 1 0.07956 . . 2 . . . . A 410 LEU HD21 . 30426 1 180 . 1 1 95 95 LEU HD22 H 1 0.07956 . . 2 . . . . A 410 LEU HD22 . 30426 1 181 . 1 1 95 95 LEU HD23 H 1 0.07956 . . 2 . . . . A 410 LEU HD23 . 30426 1 182 . 1 1 95 95 LEU CD1 C 13 25.45206 . . 2 . . . . A 410 LEU CD1 . 30426 1 183 . 1 1 95 95 LEU CD2 C 13 23.51612 . . 2 . . . . A 410 LEU CD2 . 30426 1 184 . 1 1 95 95 LEU N N 15 119.69242 . . 1 . . . . A 410 LEU N . 30426 1 185 . 1 1 97 97 THR H H 1 8.07746 . . 1 . . . . A 412 THR H . 30426 1 186 . 1 1 97 97 THR N N 15 106.88421 . . 1 . . . . A 412 THR N . 30426 1 187 . 1 1 98 98 ASP H H 1 8.70605 . . 1 . . . . A 413 ASP H . 30426 1 188 . 1 1 98 98 ASP N N 15 118.31584 . . 1 . . . . A 413 ASP N . 30426 1 189 . 1 1 100 100 ILE H H 1 9.07194 . . 1 . . . . A 415 ILE H . 30426 1 190 . 1 1 100 100 ILE HD11 H 1 0.1837 . . 1 . . . . A 415 ILE HD11 . 30426 1 191 . 1 1 100 100 ILE HD12 H 1 0.1837 . . 1 . . . . A 415 ILE HD12 . 30426 1 192 . 1 1 100 100 ILE HD13 H 1 0.1837 . . 1 . . . . A 415 ILE HD13 . 30426 1 193 . 1 1 100 100 ILE CD1 C 13 10.58773 . . 1 . . . . A 415 ILE CD1 . 30426 1 194 . 1 1 100 100 ILE N N 15 118.07708 . . 1 . . . . A 415 ILE N . 30426 1 195 . 1 1 102 102 ALA H H 1 7.59869 . . 1 . . . . A 417 ALA H . 30426 1 196 . 1 1 102 102 ALA N N 15 112.72524 . . 1 . . . . A 417 ALA N . 30426 1 197 . 1 1 104 104 LEU HD21 H 1 1.11344 . . 2 . . . . A 419 LEU HD21 . 30426 1 198 . 1 1 104 104 LEU HD22 H 1 1.11344 . . 2 . . . . A 419 LEU HD22 . 30426 1 199 . 1 1 104 104 LEU HD23 H 1 1.11344 . . 2 . . . . A 419 LEU HD23 . 30426 1 200 . 1 1 104 104 LEU CD2 C 13 23.11539 . . 2 . . . . A 419 LEU CD2 . 30426 1 201 . 1 1 105 105 PHE H H 1 9.11088 . . 1 . . . . A 420 PHE H . 30426 1 202 . 1 1 105 105 PHE N N 15 127.96184 . . 1 . . . . A 420 PHE N . 30426 1 203 . 1 1 106 106 TRP H H 1 9.22686 . . 1 . . . . A 421 TRP H . 30426 1 204 . 1 1 106 106 TRP N N 15 133.66714 . . 1 . . . . A 421 TRP N . 30426 1 205 . 1 1 107 107 MET H H 1 7.12899 . . 1 . . . . A 422 MET H . 30426 1 206 . 1 1 107 107 MET N N 15 124.35748 . . 1 . . . . A 422 MET N . 30426 1 207 . 1 1 109 109 ASN H H 1 7.03381 . . 1 . . . . A 424 ASN H . 30426 1 208 . 1 1 109 109 ASN N N 15 107.26947 . . 1 . . . . A 424 ASN N . 30426 1 209 . 1 1 110 110 GLY H H 1 8.35879 . . 1 . . . . A 425 GLY H . 30426 1 210 . 1 1 110 110 GLY N N 15 108.61569 . . 1 . . . . A 425 GLY N . 30426 1 211 . 1 1 112 112 THR H H 1 8.15505 . . 1 . . . . A 427 THR H . 30426 1 212 . 1 1 112 112 THR N N 15 115.66717 . . 1 . . . . A 427 THR N . 30426 1 213 . 1 1 113 113 TYR H H 1 9.52741 . . 1 . . . . A 428 TYR H . 30426 1 214 . 1 1 113 113 TYR N N 15 124.0643 . . 1 . . . . A 428 TYR N . 30426 1 215 . 1 1 115 115 PHE H H 1 9.3835 . . 1 . . . . A 430 PHE H . 30426 1 216 . 1 1 115 115 PHE N N 15 121.20289 . . 1 . . . . A 430 PHE N . 30426 1 217 . 1 1 116 116 ARG H H 1 9.11353 . . 1 . . . . A 431 ARG H . 30426 1 218 . 1 1 116 116 ARG N N 15 122.88392 . . 1 . . . . A 431 ARG N . 30426 1 219 . 1 1 117 117 GLY H H 1 10.13452 . . 1 . . . . A 432 GLY H . 30426 1 220 . 1 1 117 117 GLY N N 15 121.28404 . . 1 . . . . A 432 GLY N . 30426 1 221 . 1 1 119 119 LYS H H 1 8.51679 . . 1 . . . . A 434 LYS H . 30426 1 222 . 1 1 119 119 LYS N N 15 119.38124 . . 1 . . . . A 434 LYS N . 30426 1 223 . 1 1 124 124 ASN H H 1 7.80477 . . 1 . . . . A 439 ASN H . 30426 1 224 . 1 1 124 124 ASN N N 15 126.01181 . . 1 . . . . A 439 ASN N . 30426 1 225 . 1 1 126 126 GLU H H 1 8.30063 . . 1 . . . . A 441 GLU H . 30426 1 226 . 1 1 126 126 GLU N N 15 118.80082 . . 1 . . . . A 441 GLU N . 30426 1 227 . 1 1 127 127 LEU H H 1 7.42615 . . 1 . . . . A 442 LEU H . 30426 1 228 . 1 1 127 127 LEU HD11 H 1 0.86036 . . 2 . . . . A 442 LEU HD11 . 30426 1 229 . 1 1 127 127 LEU HD12 H 1 0.86036 . . 2 . . . . A 442 LEU HD12 . 30426 1 230 . 1 1 127 127 LEU HD13 H 1 0.86036 . . 2 . . . . A 442 LEU HD13 . 30426 1 231 . 1 1 127 127 LEU CD1 C 13 22.26923 . . 2 . . . . A 442 LEU CD1 . 30426 1 232 . 1 1 127 127 LEU N N 15 116.75662 . . 1 . . . . A 442 LEU N . 30426 1 233 . 1 1 129 129 ALA H H 1 7.13001 . . 1 . . . . A 444 ALA H . 30426 1 234 . 1 1 129 129 ALA N N 15 118.16448 . . 1 . . . . A 444 ALA N . 30426 1 235 . 1 1 131 131 ASP H H 1 8.33182 . . 1 . . . . A 446 ASP H . 30426 1 236 . 1 1 131 131 ASP N N 15 127.7301 . . 1 . . . . A 446 ASP N . 30426 1 237 . 1 1 132 132 SER H H 1 8.54029 . . 1 . . . . A 447 SER H . 30426 1 238 . 1 1 132 132 SER N N 15 115.15759 . . 1 . . . . A 447 SER N . 30426 1 239 . 1 1 133 133 GLU H H 1 8.8266 . . 1 . . . . A 448 GLU H . 30426 1 240 . 1 1 133 133 GLU N N 15 115.77197 . . 1 . . . . A 448 GLU N . 30426 1 241 . 1 1 136 136 LYS H H 1 7.80148 . . 1 . . . . A 451 LYS H . 30426 1 242 . 1 1 136 136 LYS N N 15 118.19108 . . 1 . . . . A 451 LYS N . 30426 1 243 . 1 1 137 137 ASN H H 1 8.63961 . . 1 . . . . A 452 ASN H . 30426 1 244 . 1 1 137 137 ASN N N 15 119.70183 . . 1 . . . . A 452 ASN N . 30426 1 245 . 1 1 138 138 ILE HD11 H 1 0.75741 . . 1 . . . . A 453 ILE HD11 . 30426 1 246 . 1 1 138 138 ILE HD12 H 1 0.75741 . . 1 . . . . A 453 ILE HD12 . 30426 1 247 . 1 1 138 138 ILE HD13 H 1 0.75741 . . 1 . . . . A 453 ILE HD13 . 30426 1 248 . 1 1 138 138 ILE CD1 C 13 14.69595 . . 1 . . . . A 453 ILE CD1 . 30426 1 249 . 1 1 139 139 LYS H H 1 8.79845 . . 1 . . . . A 454 LYS H . 30426 1 250 . 1 1 139 139 LYS N N 15 123.02652 . . 1 . . . . A 454 LYS N . 30426 1 251 . 1 1 140 140 VAL H H 1 7.42226 . . 1 . . . . A 455 VAL H . 30426 1 252 . 1 1 140 140 VAL HG11 H 1 1.24976 . . 2 . . . . A 455 VAL HG11 . 30426 1 253 . 1 1 140 140 VAL HG12 H 1 1.24976 . . 2 . . . . A 455 VAL HG12 . 30426 1 254 . 1 1 140 140 VAL HG13 H 1 1.24976 . . 2 . . . . A 455 VAL HG13 . 30426 1 255 . 1 1 140 140 VAL CG1 C 13 22.32355 . . 2 . . . . A 455 VAL CG1 . 30426 1 256 . 1 1 140 140 VAL N N 15 117.93918 . . 1 . . . . A 455 VAL N . 30426 1 257 . 1 1 141 141 TRP H H 1 8.03893 . . 1 . . . . A 456 TRP H . 30426 1 258 . 1 1 141 141 TRP N N 15 106.8682 . . 1 . . . . A 456 TRP N . 30426 1 259 . 1 1 142 142 GLU H H 1 7.92312 . . 1 . . . . A 457 GLU H . 30426 1 260 . 1 1 142 142 GLU N N 15 121.92019 . . 1 . . . . A 457 GLU N . 30426 1 261 . 1 1 144 144 ILE HD11 H 1 0.2028 . . 1 . . . . A 459 ILE HD11 . 30426 1 262 . 1 1 144 144 ILE HD12 H 1 0.2028 . . 1 . . . . A 459 ILE HD12 . 30426 1 263 . 1 1 144 144 ILE HD13 H 1 0.2028 . . 1 . . . . A 459 ILE HD13 . 30426 1 264 . 1 1 144 144 ILE CD1 C 13 12.52587 . . 1 . . . . A 459 ILE CD1 . 30426 1 265 . 1 1 146 146 GLU H H 1 7.53504 . . 1 . . . . A 461 GLU H . 30426 1 266 . 1 1 146 146 GLU N N 15 112.56138 . . 1 . . . . A 461 GLU N . 30426 1 267 . 1 1 147 147 SER H H 1 8.60897 . . 1 . . . . A 462 SER H . 30426 1 268 . 1 1 147 147 SER N N 15 111.7985 . . 1 . . . . A 462 SER N . 30426 1 269 . 1 1 151 151 SER H H 1 9.48271 . . 1 . . . . A 466 SER H . 30426 1 270 . 1 1 151 151 SER N N 15 117.99558 . . 1 . . . . A 466 SER N . 30426 1 271 . 1 1 152 152 PHE H H 1 8.19906 . . 1 . . . . A 467 PHE H . 30426 1 272 . 1 1 152 152 PHE N N 15 118.56928 . . 1 . . . . A 467 PHE N . 30426 1 273 . 1 1 153 153 MET H H 1 9.43209 . . 1 . . . . A 468 MET H . 30426 1 274 . 1 1 153 153 MET N N 15 120.08558 . . 1 . . . . A 468 MET N . 30426 1 275 . 1 1 158 158 VAL HG11 H 1 0.11629 . . 2 . . . . A 473 VAL HG11 . 30426 1 276 . 1 1 158 158 VAL HG12 H 1 0.11629 . . 2 . . . . A 473 VAL HG12 . 30426 1 277 . 1 1 158 158 VAL HG13 H 1 0.11629 . . 2 . . . . A 473 VAL HG13 . 30426 1 278 . 1 1 158 158 VAL HG21 H 1 0.77507 . . 2 . . . . A 473 VAL HG21 . 30426 1 279 . 1 1 158 158 VAL HG22 H 1 0.77507 . . 2 . . . . A 473 VAL HG22 . 30426 1 280 . 1 1 158 158 VAL HG23 H 1 0.77507 . . 2 . . . . A 473 VAL HG23 . 30426 1 281 . 1 1 158 158 VAL CG1 C 13 20.93307 . . 2 . . . . A 473 VAL CG1 . 30426 1 282 . 1 1 158 158 VAL CG2 C 13 22.30312 . . 2 . . . . A 473 VAL CG2 . 30426 1 283 . 1 1 160 160 THR H H 1 9.43969 . . 1 . . . . A 475 THR H . 30426 1 284 . 1 1 160 160 THR N N 15 118.51308 . . 1 . . . . A 475 THR N . 30426 1 285 . 1 1 161 161 TYR H H 1 9.30299 . . 1 . . . . A 476 TYR H . 30426 1 286 . 1 1 161 161 TYR N N 15 124.46781 . . 1 . . . . A 476 TYR N . 30426 1 287 . 1 1 162 162 PHE H H 1 8.71868 . . 1 . . . . A 477 PHE H . 30426 1 288 . 1 1 162 162 PHE N N 15 115.93074 . . 1 . . . . A 477 PHE N . 30426 1 289 . 1 1 163 163 TYR H H 1 9.10778 . . 1 . . . . A 478 TYR H . 30426 1 290 . 1 1 163 163 TYR N N 15 121.98658 . . 1 . . . . A 478 TYR N . 30426 1 291 . 1 1 168 168 TYR H H 1 8.59117 . . 1 . . . . A 483 TYR H . 30426 1 292 . 1 1 168 168 TYR N N 15 113.17532 . . 1 . . . . A 483 TYR N . 30426 1 293 . 1 1 171 171 PHE H H 1 9.88571 . . 1 . . . . A 486 PHE H . 30426 1 294 . 1 1 171 171 PHE N N 15 129.86324 . . 1 . . . . A 486 PHE N . 30426 1 295 . 1 1 174 174 GLN H H 1 8.58868 . . 1 . . . . A 489 GLN H . 30426 1 296 . 1 1 174 174 GLN N N 15 117.6957 . . 1 . . . . A 489 GLN N . 30426 1 297 . 1 1 175 175 LYS H H 1 7.4931 . . 1 . . . . A 490 LYS H . 30426 1 298 . 1 1 175 175 LYS N N 15 116.36652 . . 1 . . . . A 490 LYS N . 30426 1 299 . 1 1 176 176 LEU HD11 H 1 0.77275 . . 2 . . . . A 491 LEU HD11 . 30426 1 300 . 1 1 176 176 LEU HD12 H 1 0.77275 . . 2 . . . . A 491 LEU HD12 . 30426 1 301 . 1 1 176 176 LEU HD13 H 1 0.77275 . . 2 . . . . A 491 LEU HD13 . 30426 1 302 . 1 1 176 176 LEU CD1 C 13 23.35229 . . 2 . . . . A 491 LEU CD1 . 30426 1 303 . 1 1 177 177 LYS H H 1 6.574 . . 1 . . . . A 492 LYS H . 30426 1 304 . 1 1 177 177 LYS N N 15 111.68469 . . 1 . . . . A 492 LYS N . 30426 1 305 . 1 1 178 178 VAL HG11 H 1 1.46212 . . 2 . . . . A 493 VAL HG11 . 30426 1 306 . 1 1 178 178 VAL HG12 H 1 1.46212 . . 2 . . . . A 493 VAL HG12 . 30426 1 307 . 1 1 178 178 VAL HG13 H 1 1.46212 . . 2 . . . . A 493 VAL HG13 . 30426 1 308 . 1 1 178 178 VAL HG21 H 1 1.40804 . . 2 . . . . A 493 VAL HG21 . 30426 1 309 . 1 1 178 178 VAL HG22 H 1 1.40804 . . 2 . . . . A 493 VAL HG22 . 30426 1 310 . 1 1 178 178 VAL HG23 H 1 1.40804 . . 2 . . . . A 493 VAL HG23 . 30426 1 311 . 1 1 178 178 VAL CG1 C 13 22.74353 . . 2 . . . . A 493 VAL CG1 . 30426 1 312 . 1 1 178 178 VAL CG2 C 13 24.58017 . . 2 . . . . A 493 VAL CG2 . 30426 1 313 . 1 1 187 187 LEU HD11 H 1 0.94833 . . 2 . . . . A 502 LEU HD11 . 30426 1 314 . 1 1 187 187 LEU HD12 H 1 0.94833 . . 2 . . . . A 502 LEU HD12 . 30426 1 315 . 1 1 187 187 LEU HD13 H 1 0.94833 . . 2 . . . . A 502 LEU HD13 . 30426 1 316 . 1 1 187 187 LEU CD1 C 13 23.6447 . . 2 . . . . A 502 LEU CD1 . 30426 1 317 . 1 1 189 189 ASP H H 1 7.35636 . . 1 . . . . A 504 ASP H . 30426 1 318 . 1 1 189 189 ASP N N 15 114.96581 . . 1 . . . . A 504 ASP N . 30426 1 319 . 1 1 191 191 MET H H 1 6.627 . . 1 . . . . A 506 MET H . 30426 1 320 . 1 1 191 191 MET N N 15 109.20885 . . 1 . . . . A 506 MET N . 30426 1 321 . 1 1 192 192 GLY H H 1 7.90842 . . 1 . . . . A 507 GLY H . 30426 1 322 . 1 1 192 192 GLY N N 15 105.51267 . . 1 . . . . A 507 GLY N . 30426 1 323 . 1 1 193 193 CYS H H 1 7.98422 . . 1 . . . . A 508 CYS H . 30426 1 324 . 1 1 193 193 CYS N N 15 119.02975 . . 1 . . . . A 508 CYS N . 30426 1 stop_ save_