################################### # 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 15533 _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 . _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 IPAP . . . 15533 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 3 3 GLU H H 1 8.560 0.03 . 1 . . . . 319 GLU HN . 15533 1 2 . 1 1 3 3 GLU N N 15 123.221 0.1 . 1 . . . . 319 GLU N . 15533 1 3 . 1 1 4 4 LYS H H 1 8.381 0.03 . 1 . . . . 320 LYS HN . 15533 1 4 . 1 1 4 4 LYS N N 15 123.023 0.1 . 1 . . . . 320 LYS N . 15533 1 5 . 1 1 5 5 ARG H H 1 8.261 0.03 . 1 . . . . 321 ARG HN . 15533 1 6 . 1 1 5 5 ARG N N 15 121.339 0.1 . 1 . . . . 321 ARG N . 15533 1 7 . 1 1 7 7 PHE H H 1 7.874 0.03 . 1 . . . . 323 PHE HN . 15533 1 8 . 1 1 7 7 PHE N N 15 117.224 0.1 . 1 . . . . 323 PHE N . 15533 1 9 . 1 1 8 8 MET H H 1 8.659 0.03 . 1 . . . . 324 MET HN . 15533 1 10 . 1 1 8 8 MET N N 15 124.312 0.1 . 1 . . . . 324 MET N . 15533 1 11 . 1 1 9 9 CYS H H 1 8.723 0.03 . 1 . . . . 325 CYS HN . 15533 1 12 . 1 1 9 9 CYS N N 15 127.319 0.1 . 1 . . . . 325 CYS N . 15533 1 13 . 1 1 10 10 ALA H H 1 8.796 0.03 . 1 . . . . 326 ALA HN . 15533 1 14 . 1 1 10 10 ALA N N 15 131.653 0.1 . 1 . . . . 326 ALA N . 15533 1 15 . 1 1 11 11 TYR H H 1 9.099 0.03 . 1 . . . . 327 TYR HN . 15533 1 16 . 1 1 11 11 TYR N N 15 127.979 0.1 . 1 . . . . 327 TYR N . 15533 1 17 . 1 1 13 13 GLY H H 1 8.776 0.03 . 1 . . . . 329 GLY HN . 15533 1 18 . 1 1 13 13 GLY N N 15 112.473 0.1 . 1 . . . . 329 GLY N . 15533 1 19 . 1 1 14 14 CYS H H 1 8.090 0.03 . 1 . . . . 330 CYS HN . 15533 1 20 . 1 1 14 14 CYS N N 15 123.559 0.1 . 1 . . . . 330 CYS N . 15533 1 21 . 1 1 15 15 ASN H H 1 8.689 0.03 . 1 . . . . 331 ASN HN . 15533 1 22 . 1 1 15 15 ASN HD21 H 1 7.394 0.03 . 2 . . . . 331 ASN HD21 . 15533 1 23 . 1 1 15 15 ASN HD22 H 1 6.875 0.03 . 2 . . . . 331 ASN HD22 . 15533 1 24 . 1 1 15 15 ASN N N 15 115.870 0.1 . 1 . . . . 331 ASN N . 15533 1 25 . 1 1 15 15 ASN ND2 N 15 112.501 0.1 . 1 . . . . 331 ASN ND2 . 15533 1 26 . 1 1 16 16 LYS H H 1 8.050 0.03 . 1 . . . . 332 LYS HN . 15533 1 27 . 1 1 16 16 LYS N N 15 121.236 0.1 . 1 . . . . 332 LYS N . 15533 1 28 . 1 1 17 17 ARG H H 1 7.696 0.03 . 1 . . . . 333 ARG HN . 15533 1 29 . 1 1 17 17 ARG N N 15 117.558 0.1 . 1 . . . . 333 ARG N . 15533 1 30 . 1 1 18 18 TYR H H 1 8.746 0.03 . 1 . . . . 334 TYR HN . 15533 1 31 . 1 1 18 18 TYR N N 15 117.287 0.1 . 1 . . . . 334 TYR N . 15533 1 32 . 1 1 19 19 PHE H H 1 9.943 0.03 . 1 . . . . 335 PHE HN . 15533 1 33 . 1 1 19 19 PHE N N 15 118.923 0.1 . 1 . . . . 335 PHE N . 15533 1 34 . 1 1 20 20 LYS H H 1 7.085 0.03 . 1 . . . . 336 LYS HN . 15533 1 35 . 1 1 20 20 LYS N N 15 114.615 0.1 . 1 . . . . 336 LYS N . 15533 1 36 . 1 1 21 21 LEU H H 1 8.149 0.03 . 1 . . . . 337 LEU HN . 15533 1 37 . 1 1 21 21 LEU N N 15 126.830 0.1 . 1 . . . . 337 LEU N . 15533 1 38 . 1 1 22 22 SER H H 1 8.333 0.03 . 1 . . . . 338 SER HN . 15533 1 39 . 1 1 22 22 SER N N 15 113.071 0.1 . 1 . . . . 338 SER N . 15533 1 40 . 1 1 23 23 HIS H H 1 6.565 0.03 . 1 . . . . 339 HIS HN . 15533 1 41 . 1 1 23 23 HIS N N 15 120.946 0.1 . 1 . . . . 339 HIS N . 15533 1 42 . 1 1 24 24 LEU H H 1 7.089 0.03 . 1 . . . . 340 LEU HN . 15533 1 43 . 1 1 24 24 LEU N N 15 121.458 0.1 . 1 . . . . 340 LEU N . 15533 1 44 . 1 1 25 25 GLN H H 1 8.667 0.03 . 1 . . . . 341 GLN HN . 15533 1 45 . 1 1 25 25 GLN HE21 H 1 7.362 0.03 . 2 . . . . 341 GLN HE21 . 15533 1 46 . 1 1 25 25 GLN HE22 H 1 6.759 0.03 . 2 . . . . 341 GLN HE22 . 15533 1 47 . 1 1 25 25 GLN N N 15 119.360 0.1 . 1 . . . . 341 GLN N . 15533 1 48 . 1 1 25 25 GLN NE2 N 15 111.013 0.1 . 1 . . . . 341 GLN NE2 . 15533 1 49 . 1 1 26 26 MET H H 1 7.770 0.03 . 1 . . . . 342 MET HN . 15533 1 50 . 1 1 26 26 MET N N 15 117.825 0.1 . 1 . . . . 342 MET N . 15533 1 51 . 1 1 27 27 HIS H H 1 7.725 0.03 . 1 . . . . 343 HIS HN . 15533 1 52 . 1 1 27 27 HIS N N 15 120.051 0.1 . 1 . . . . 343 HIS N . 15533 1 53 . 1 1 28 28 SER H H 1 8.711 0.03 . 1 . . . . 344 SER HN . 15533 1 54 . 1 1 28 28 SER N N 15 113.162 0.1 . 1 . . . . 344 SER N . 15533 1 55 . 1 1 29 29 ARG H H 1 7.172 0.03 . 1 . . . . 345 ARG HN . 15533 1 56 . 1 1 29 29 ARG N N 15 119.730 0.1 . 1 . . . . 345 ARG N . 15533 1 57 . 1 1 30 30 LYS H H 1 8.030 0.03 . 1 . . . . 346 LYS HN . 15533 1 58 . 1 1 30 30 LYS N N 15 119.494 0.1 . 1 . . . . 346 LYS N . 15533 1 59 . 1 1 31 31 HIS H H 1 7.068 0.03 . 1 . . . . 347 HIS HN . 15533 1 60 . 1 1 31 31 HIS N N 15 114.254 0.1 . 1 . . . . 347 HIS N . 15533 1 61 . 1 1 32 32 THR H H 1 7.706 0.03 . 1 . . . . 348 THR HN . 15533 1 62 . 1 1 32 32 THR N N 15 108.804 0.1 . 1 . . . . 348 THR N . 15533 1 63 . 1 1 33 33 GLY H H 1 7.836 0.03 . 1 . . . . 349 GLY HN . 15533 1 64 . 1 1 33 33 GLY N N 15 109.313 0.1 . 1 . . . . 349 GLY N . 15533 1 65 . 1 1 34 34 GLU H H 1 7.759 0.03 . 1 . . . . 350 GLU HN . 15533 1 66 . 1 1 34 34 GLU N N 15 120.322 0.1 . 1 . . . . 350 GLU N . 15533 1 67 . 1 1 35 35 LYS H H 1 8.540 0.03 . 1 . . . . 351 LYS HN . 15533 1 68 . 1 1 35 35 LYS N N 15 123.087 0.1 . 1 . . . . 351 LYS N . 15533 1 69 . 1 1 37 37 TYR H H 1 7.713 0.03 . 1 . . . . 353 TYR HN . 15533 1 70 . 1 1 37 37 TYR N N 15 117.106 0.1 . 1 . . . . 353 TYR N . 15533 1 71 . 1 1 38 38 GLN H H 1 8.799 0.03 . 1 . . . . 354 GLN HN . 15533 1 72 . 1 1 38 38 GLN N N 15 124.825 0.1 . 1 . . . . 354 GLN N . 15533 1 73 . 1 1 39 39 CYS H H 1 8.914 0.03 . 1 . . . . 355 CYS HN . 15533 1 74 . 1 1 39 39 CYS N N 15 128.403 0.1 . 1 . . . . 355 CYS N . 15533 1 75 . 1 1 40 40 ASP H H 1 8.501 0.03 . 1 . . . . 356 ASP HN . 15533 1 76 . 1 1 40 40 ASP N N 15 127.074 0.1 . 1 . . . . 356 ASP N . 15533 1 77 . 1 1 41 41 PHE H H 1 8.938 0.03 . 1 . . . . 357 PHE HN . 15533 1 78 . 1 1 41 41 PHE N N 15 126.025 0.1 . 1 . . . . 357 PHE N . 15533 1 79 . 1 1 42 42 LYS H H 1 7.827 0.03 . 1 . . . . 358 LYS HN . 15533 1 80 . 1 1 42 42 LYS N N 15 127.076 0.1 . 1 . . . . 358 LYS N . 15533 1 81 . 1 1 43 43 ASP H H 1 8.745 0.03 . 1 . . . . 359 ASP HN . 15533 1 82 . 1 1 43 43 ASP N N 15 119.716 0.1 . 1 . . . . 359 ASP N . 15533 1 83 . 1 1 44 44 CYS H H 1 8.271 0.03 . 1 . . . . 360 CYS HN . 15533 1 84 . 1 1 44 44 CYS N N 15 122.880 0.1 . 1 . . . . 360 CYS N . 15533 1 85 . 1 1 45 45 GLU H H 1 8.531 0.03 . 1 . . . . 361 GLU HN . 15533 1 86 . 1 1 45 45 GLU N N 15 117.198 0.1 . 1 . . . . 361 GLU N . 15533 1 87 . 1 1 46 46 ARG H H 1 8.263 0.03 . 1 . . . . 362 ARG HN . 15533 1 88 . 1 1 46 46 ARG N N 15 122.245 0.1 . 1 . . . . 362 ARG N . 15533 1 89 . 1 1 47 47 ARG H H 1 7.805 0.03 . 1 . . . . 363 ARG HN . 15533 1 90 . 1 1 47 47 ARG N N 15 118.458 0.1 . 1 . . . . 363 ARG N . 15533 1 91 . 1 1 48 48 PHE H H 1 8.841 0.03 . 1 . . . . 364 PHE HN . 15533 1 92 . 1 1 48 48 PHE N N 15 115.768 0.1 . 1 . . . . 364 PHE N . 15533 1 93 . 1 1 49 49 SER H H 1 9.343 0.03 . 1 . . . . 365 SER HN . 15533 1 94 . 1 1 49 49 SER N N 15 116.221 0.1 . 1 . . . . 365 SER N . 15533 1 95 . 1 1 50 50 ARG H H 1 7.313 0.03 . 1 . . . . 366 ARG HN . 15533 1 96 . 1 1 50 50 ARG N N 15 117.251 0.1 . 1 . . . . 366 ARG N . 15533 1 97 . 1 1 51 51 SER H H 1 8.671 0.03 . 1 . . . . 367 SER HN . 15533 1 98 . 1 1 51 51 SER N N 15 119.900 0.1 . 1 . . . . 367 SER N . 15533 1 99 . 1 1 52 52 ASP H H 1 8.818 0.03 . 1 . . . . 368 ASP HN . 15533 1 100 . 1 1 52 52 ASP N N 15 120.697 0.1 . 1 . . . . 368 ASP N . 15533 1 101 . 1 1 53 53 GLN H H 1 6.976 0.03 . 1 . . . . 369 GLN HN . 15533 1 102 . 1 1 53 53 GLN N N 15 121.480 0.1 . 1 . . . . 369 GLN N . 15533 1 103 . 1 1 54 54 LEU H H 1 6.906 0.03 . 1 . . . . 370 LEU HN . 15533 1 104 . 1 1 54 54 LEU N N 15 120.931 0.1 . 1 . . . . 370 LEU N . 15533 1 105 . 1 1 55 55 LYS H H 1 8.088 0.03 . 1 . . . . 371 LYS HN . 15533 1 106 . 1 1 55 55 LYS N N 15 118.541 0.1 . 1 . . . . 371 LYS N . 15533 1 107 . 1 1 56 56 ARG H H 1 7.834 0.03 . 1 . . . . 372 ARG HN . 15533 1 108 . 1 1 56 56 ARG N N 15 119.384 0.1 . 1 . . . . 372 ARG N . 15533 1 109 . 1 1 57 57 HIS H H 1 7.696 0.03 . 1 . . . . 373 HIS HN . 15533 1 110 . 1 1 57 57 HIS N N 15 119.765 0.1 . 1 . . . . 373 HIS N . 15533 1 111 . 1 1 58 58 GLN H H 1 8.559 0.03 . 1 . . . . 374 GLN HN . 15533 1 112 . 1 1 58 58 GLN HE21 H 1 7.987 0.03 . 2 . . . . 374 GLN HE21 . 15533 1 113 . 1 1 58 58 GLN HE22 H 1 7.341 0.03 . 2 . . . . 374 GLN HE22 . 15533 1 114 . 1 1 58 58 GLN N N 15 115.823 0.1 . 1 . . . . 374 GLN N . 15533 1 115 . 1 1 58 58 GLN NE2 N 15 114.360 0.1 . 1 . . . . 374 GLN NE2 . 15533 1 116 . 1 1 59 59 ARG H H 1 7.339 0.03 . 1 . . . . 375 ARG HN . 15533 1 117 . 1 1 59 59 ARG N N 15 117.172 0.1 . 1 . . . . 375 ARG N . 15533 1 118 . 1 1 60 60 ARG H H 1 8.019 0.03 . 1 . . . . 376 ARG HN . 15533 1 119 . 1 1 60 60 ARG N N 15 120.043 0.1 . 1 . . . . 376 ARG N . 15533 1 120 . 1 1 62 62 THR H H 1 7.913 0.03 . 1 . . . . 378 THR HN . 15533 1 121 . 1 1 62 62 THR N N 15 107.068 0.1 . 1 . . . . 378 THR N . 15533 1 122 . 1 1 63 63 GLY H H 1 7.929 0.03 . 1 . . . . 379 GLY HN . 15533 1 123 . 1 1 63 63 GLY N N 15 109.844 0.1 . 1 . . . . 379 GLY N . 15533 1 124 . 1 1 64 64 VAL H H 1 7.309 0.03 . 1 . . . . 380 VAL HN . 15533 1 125 . 1 1 64 64 VAL N N 15 119.850 0.1 . 1 . . . . 380 VAL N . 15533 1 126 . 1 1 65 65 LYS H H 1 8.270 0.03 . 1 . . . . 381 LYS HN . 15533 1 127 . 1 1 65 65 LYS N N 15 126.820 0.1 . 1 . . . . 381 LYS N . 15533 1 128 . 1 1 67 67 PHE H H 1 7.709 0.03 . 1 . . . . 383 PHE HN . 15533 1 129 . 1 1 67 67 PHE N N 15 115.694 0.1 . 1 . . . . 383 PHE N . 15533 1 130 . 1 1 68 68 GLN H H 1 9.024 0.03 . 1 . . . . 384 GLN HN . 15533 1 131 . 1 1 68 68 GLN HE21 H 1 7.216 0.03 . 2 . . . . 384 GLN HE21 . 15533 1 132 . 1 1 68 68 GLN HE22 H 1 6.487 0.03 . 2 . . . . 384 GLN HE22 . 15533 1 133 . 1 1 68 68 GLN N N 15 124.064 0.1 . 1 . . . . 384 GLN N . 15533 1 134 . 1 1 68 68 GLN NE2 N 15 112.252 0.1 . 1 . . . . 384 GLN NE2 . 15533 1 135 . 1 1 69 69 CYS H H 1 9.220 0.03 . 1 . . . . 385 CYS HN . 15533 1 136 . 1 1 69 69 CYS N N 15 128.386 0.1 . 1 . . . . 385 CYS N . 15533 1 137 . 1 1 70 70 LYS H H 1 9.187 0.03 . 1 . . . . 386 LYS HN . 15533 1 138 . 1 1 70 70 LYS N N 15 130.976 0.1 . 1 . . . . 386 LYS N . 15533 1 139 . 1 1 71 71 THR H H 1 8.863 0.03 . 1 . . . . 387 THR HN . 15533 1 140 . 1 1 71 71 THR N N 15 118.426 0.1 . 1 . . . . 387 THR N . 15533 1 141 . 1 1 72 72 CYS H H 1 8.268 0.03 . 1 . . . . 388 CYS HN . 15533 1 142 . 1 1 72 72 CYS N N 15 119.046 0.1 . 1 . . . . 388 CYS N . 15533 1 143 . 1 1 73 73 GLN H H 1 7.811 0.03 . 1 . . . . 389 GLN HN . 15533 1 144 . 1 1 73 73 GLN HE21 H 1 7.512 0.03 . 2 . . . . 389 GLN HE21 . 15533 1 145 . 1 1 73 73 GLN HE22 H 1 6.807 0.03 . 2 . . . . 389 GLN HE22 . 15533 1 146 . 1 1 73 73 GLN N N 15 115.312 0.1 . 1 . . . . 389 GLN N . 15533 1 147 . 1 1 73 73 GLN NE2 N 15 112.492 0.1 . 1 . . . . 389 GLN NE2 . 15533 1 148 . 1 1 74 74 ARG H H 1 8.372 0.03 . 1 . . . . 390 ARG HN . 15533 1 149 . 1 1 74 74 ARG N N 15 124.513 0.1 . 1 . . . . 390 ARG N . 15533 1 150 . 1 1 75 75 LYS H H 1 8.102 0.03 . 1 . . . . 391 LYS HN . 15533 1 151 . 1 1 75 75 LYS N N 15 122.909 0.1 . 1 . . . . 391 LYS N . 15533 1 152 . 1 1 76 76 PHE H H 1 9.105 0.03 . 1 . . . . 392 PHE HN . 15533 1 153 . 1 1 76 76 PHE N N 15 117.962 0.1 . 1 . . . . 392 PHE N . 15533 1 154 . 1 1 77 77 SER H H 1 9.726 0.03 . 1 . . . . 393 SER HN . 15533 1 155 . 1 1 77 77 SER N N 15 116.975 0.1 . 1 . . . . 393 SER N . 15533 1 156 . 1 1 78 78 ARG H H 1 7.977 0.03 . 1 . . . . 394 ARG HN . 15533 1 157 . 1 1 78 78 ARG N N 15 119.441 0.1 . 1 . . . . 394 ARG N . 15533 1 158 . 1 1 79 79 SER H H 1 8.208 0.03 . 1 . . . . 395 SER HN . 15533 1 159 . 1 1 79 79 SER N N 15 119.824 0.1 . 1 . . . . 395 SER N . 15533 1 160 . 1 1 80 80 ASP H H 1 8.640 0.03 . 1 . . . . 396 ASP HN . 15533 1 161 . 1 1 80 80 ASP N N 15 122.732 0.1 . 1 . . . . 396 ASP N . 15533 1 162 . 1 1 81 81 HIS H H 1 6.920 0.03 . 1 . . . . 397 HIS HN . 15533 1 163 . 1 1 81 81 HIS N N 15 119.478 0.1 . 1 . . . . 397 HIS N . 15533 1 164 . 1 1 82 82 LEU H H 1 7.463 0.03 . 1 . . . . 398 LEU HN . 15533 1 165 . 1 1 82 82 LEU N N 15 120.746 0.1 . 1 . . . . 398 LEU N . 15533 1 166 . 1 1 83 83 LYS H H 1 7.852 0.03 . 1 . . . . 399 LYS HN . 15533 1 167 . 1 1 83 83 LYS N N 15 120.230 0.1 . 1 . . . . 399 LYS N . 15533 1 168 . 1 1 84 84 THR H H 1 7.835 0.03 . 1 . . . . 400 THR HN . 15533 1 169 . 1 1 84 84 THR N N 15 109.481 0.1 . 1 . . . . 400 THR N . 15533 1 170 . 1 1 85 85 HIS H H 1 8.534 0.03 . 1 . . . . 401 HIS HN . 15533 1 171 . 1 1 85 85 HIS N N 15 125.332 0.1 . 1 . . . . 401 HIS N . 15533 1 172 . 1 1 86 86 THR H H 1 8.694 0.03 . 1 . . . . 402 THR HN . 15533 1 173 . 1 1 86 86 THR N N 15 116.390 0.1 . 1 . . . . 402 THR N . 15533 1 174 . 1 1 87 87 ARG H H 1 7.395 0.03 . 1 . . . . 403 ARG HN . 15533 1 175 . 1 1 87 87 ARG N N 15 119.507 0.1 . 1 . . . . 403 ARG N . 15533 1 176 . 1 1 88 88 THR H H 1 8.153 0.03 . 1 . . . . 404 THR HN . 15533 1 177 . 1 1 88 88 THR N N 15 113.225 0.1 . 1 . . . . 404 THR N . 15533 1 178 . 1 1 89 89 HIS H H 1 7.322 0.03 . 1 . . . . 405 HIS HN . 15533 1 179 . 1 1 89 89 HIS N N 15 117.400 0.1 . 1 . . . . 405 HIS N . 15533 1 180 . 1 1 90 90 THR H H 1 7.935 0.03 . 1 . . . . 406 THR HN . 15533 1 181 . 1 1 90 90 THR N N 15 107.747 0.1 . 1 . . . . 406 THR N . 15533 1 182 . 1 1 91 91 GLY H H 1 7.997 0.03 . 1 . . . . 407 GLY HN . 15533 1 183 . 1 1 91 91 GLY N N 15 109.617 0.1 . 1 . . . . 407 GLY N . 15533 1 184 . 1 1 92 92 GLU H H 1 7.590 0.03 . 1 . . . . 408 GLU HN . 15533 1 185 . 1 1 92 92 GLU N N 15 121.368 0.1 . 1 . . . . 408 GLU N . 15533 1 186 . 1 1 93 93 LYS H H 1 8.335 0.03 . 1 . . . . 409 LYS HN . 15533 1 187 . 1 1 93 93 LYS N N 15 125.976 0.1 . 1 . . . . 409 LYS N . 15533 1 188 . 1 1 95 95 PHE H H 1 7.772 0.03 . 1 . . . . 411 PHE HN . 15533 1 189 . 1 1 95 95 PHE N N 15 116.609 0.1 . 1 . . . . 411 PHE N . 15533 1 190 . 1 1 96 96 SER H H 1 8.668 0.03 . 1 . . . . 412 SER HN . 15533 1 191 . 1 1 96 96 SER N N 15 119.254 0.1 . 1 . . . . 412 SER N . 15533 1 192 . 1 1 97 97 CYS H H 1 8.532 0.03 . 1 . . . . 413 CYS HN . 15533 1 193 . 1 1 97 97 CYS N N 15 125.785 0.1 . 1 . . . . 413 CYS N . 15533 1 194 . 1 1 99 99 TRP H H 1 9.749 0.03 . 1 . . . . 415 TRP HN . 15533 1 195 . 1 1 99 99 TRP HE1 H 1 9.928 0.03 . 1 . . . . 415 TRP HE1 . 15533 1 196 . 1 1 99 99 TRP N N 15 129.950 0.1 . 1 . . . . 415 TRP N . 15533 1 197 . 1 1 99 99 TRP NE1 N 15 128.122 0.1 . 1 . . . . 415 TRP NE1 . 15533 1 198 . 1 1 101 101 SER H H 1 8.439 0.03 . 1 . . . . 417 SER HN . 15533 1 199 . 1 1 101 101 SER N N 15 112.846 0.1 . 1 . . . . 417 SER N . 15533 1 200 . 1 1 102 102 CYS H H 1 8.226 0.03 . 1 . . . . 418 CYS HN . 15533 1 201 . 1 1 102 102 CYS N N 15 125.582 0.1 . 1 . . . . 418 CYS N . 15533 1 202 . 1 1 103 103 GLN HE21 H 1 7.594 0.03 . 2 . . . . 419 GLN HE21 . 15533 1 203 . 1 1 103 103 GLN HE22 H 1 6.768 0.03 . 2 . . . . 419 GLN HE22 . 15533 1 204 . 1 1 103 103 GLN NE2 N 15 112.005 0.1 . 1 . . . . 419 GLN NE2 . 15533 1 205 . 1 1 104 104 LYS H H 1 8.300 0.03 . 1 . . . . 420 LYS HN . 15533 1 206 . 1 1 104 104 LYS N N 15 122.249 0.1 . 1 . . . . 420 LYS N . 15533 1 207 . 1 1 105 105 LYS H H 1 7.394 0.03 . 1 . . . . 421 LYS HN . 15533 1 208 . 1 1 105 105 LYS N N 15 118.940 0.1 . 1 . . . . 421 LYS N . 15533 1 209 . 1 1 106 106 PHE H H 1 8.810 0.03 . 1 . . . . 422 PHE HN . 15533 1 210 . 1 1 106 106 PHE N N 15 115.632 0.1 . 1 . . . . 422 PHE N . 15533 1 211 . 1 1 107 107 ALA H H 1 9.320 0.03 . 1 . . . . 423 ALA HN . 15533 1 212 . 1 1 107 107 ALA N N 15 123.570 0.1 . 1 . . . . 423 ALA N . 15533 1 213 . 1 1 108 108 ARG H H 1 7.976 0.03 . 1 . . . . 424 ARG HN . 15533 1 214 . 1 1 108 108 ARG N N 15 113.589 0.1 . 1 . . . . 424 ARG N . 15533 1 215 . 1 1 109 109 SER H H 1 8.362 0.03 . 1 . . . . 425 SER HN . 15533 1 216 . 1 1 109 109 SER N N 15 120.243 0.1 . 1 . . . . 425 SER N . 15533 1 217 . 1 1 110 110 ASP H H 1 8.559 0.03 . 1 . . . . 426 ASP HN . 15533 1 218 . 1 1 110 110 ASP N N 15 118.431 0.1 . 1 . . . . 426 ASP N . 15533 1 219 . 1 1 111 111 GLU H H 1 6.958 0.03 . 1 . . . . 427 GLU HN . 15533 1 220 . 1 1 111 111 GLU N N 15 120.726 0.1 . 1 . . . . 427 GLU N . 15533 1 221 . 1 1 112 112 LEU H H 1 6.702 0.03 . 1 . . . . 428 LEU HN . 15533 1 222 . 1 1 112 112 LEU N N 15 120.820 0.1 . 1 . . . . 428 LEU N . 15533 1 223 . 1 1 113 113 VAL H H 1 7.557 0.03 . 1 . . . . 429 VAL HN . 15533 1 224 . 1 1 113 113 VAL N N 15 119.143 0.1 . 1 . . . . 429 VAL N . 15533 1 225 . 1 1 114 114 ARG H H 1 7.211 0.03 . 1 . . . . 430 ARG HN . 15533 1 226 . 1 1 114 114 ARG N N 15 117.270 0.1 . 1 . . . . 430 ARG N . 15533 1 227 . 1 1 115 115 HIS H H 1 7.445 0.03 . 1 . . . . 431 HIS HN . 15533 1 228 . 1 1 115 115 HIS N N 15 117.265 0.1 . 1 . . . . 431 HIS N . 15533 1 229 . 1 1 116 116 HIS H H 1 9.039 0.03 . 1 . . . . 432 HIS HN . 15533 1 230 . 1 1 116 116 HIS N N 15 119.045 0.1 . 1 . . . . 432 HIS N . 15533 1 231 . 1 1 117 117 ASN H H 1 7.647 0.03 . 1 . . . . 433 ASN HN . 15533 1 232 . 1 1 117 117 ASN N N 15 115.436 0.1 . 1 . . . . 433 ASN N . 15533 1 233 . 1 1 118 118 MET H H 1 7.727 0.03 . 1 . . . . 434 MET HN . 15533 1 234 . 1 1 118 118 MET N N 15 117.440 0.1 . 1 . . . . 434 MET N . 15533 1 235 . 1 1 119 119 HIS H H 1 6.872 0.03 . 1 . . . . 435 HIS HN . 15533 1 236 . 1 1 119 119 HIS N N 15 124.420 0.1 . 1 . . . . 435 HIS N . 15533 1 stop_ save_