################################### # 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 51414 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BD2 chemical shifts' _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 '3D CBCANH' . . . 51414 1 2 '3D CBCA(CO)NH' . . . 51414 1 3 '3D HN(CO)CA' . . . 51414 1 4 '3D HNCA' . . . 51414 1 5 '3D HNCO' . . . 51414 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51414 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 ALA H H 1 8.535 . . 1 . . . . . 343 ALA H . 51414 1 2 . 1 . 1 3 3 ALA N N 15 126.318 . . 1 . . . . . 343 ALA N . 51414 1 3 . 1 . 1 5 5 GLU H H 1 8.625 . . 1 . . . . . 345 GLU H . 51414 1 4 . 1 . 1 5 5 GLU N N 15 121.621 . . 1 . . . . . 345 GLU N . 51414 1 5 . 1 . 1 6 6 LYS H H 1 8.446 . . 1 . . . . . 346 LYS H . 51414 1 6 . 1 . 1 6 6 LYS N N 15 122.964 . . 1 . . . . . 346 LYS N . 51414 1 7 . 1 . 1 7 7 SER H H 1 8.401 . . 1 . . . . . 347 SER H . 51414 1 8 . 1 . 1 7 7 SER N N 15 117.165 . . 1 . . . . . 347 SER N . 51414 1 9 . 1 . 1 10 10 VAL H H 1 8.1 . . 1 . . . . . 350 VAL H . 51414 1 10 . 1 . 1 10 10 VAL N N 15 120.517 . . 1 . . . . . 350 VAL N . 51414 1 11 . 1 . 1 11 11 SER H H 1 8.183 . . 1 . . . . . 351 SER H . 51414 1 12 . 1 . 1 11 11 SER N N 15 117.819 . . 1 . . . . . 351 SER N . 51414 1 13 . 1 . 1 12 12 GLU H H 1 8.743 . . 1 . . . . . 352 GLU H . 51414 1 14 . 1 . 1 12 12 GLU N N 15 123.412 . . 1 . . . . . 352 GLU N . 51414 1 15 . 1 . 1 13 13 GLN H H 1 8.744 . . 1 . . . . . 353 GLN H . 51414 1 16 . 1 . 1 13 13 GLN N N 15 120.32 . . 1 . . . . . 353 GLN N . 51414 1 17 . 1 . 1 14 14 LEU H H 1 8.465 . . 1 . . . . . 354 LEU H . 51414 1 18 . 1 . 1 14 14 LEU N N 15 121.617 . . 1 . . . . . 354 LEU N . 51414 1 19 . 1 . 1 15 15 LYS H H 1 8.119 . . 1 . . . . . 355 LYS H . 51414 1 20 . 1 . 1 15 15 LYS N N 15 123.58 . . 1 . . . . . 355 LYS N . 51414 1 21 . 1 . 1 16 16 CYS H H 1 8.055 . . 1 . . . . . 356 CYS H . 51414 1 22 . 1 . 1 16 16 CYS N N 15 121.462 . . 1 . . . . . 356 CYS N . 51414 1 23 . 1 . 1 17 17 CYS H H 1 8.155 . . 1 . . . . . 357 CYS H . 51414 1 24 . 1 . 1 17 17 CYS N N 15 119.42 . . 1 . . . . . 357 CYS N . 51414 1 25 . 1 . 1 18 18 SER H H 1 7.861 . . 1 . . . . . 358 SER H . 51414 1 26 . 1 . 1 18 18 SER N N 15 114.712 . . 1 . . . . . 358 SER N . 51414 1 27 . 1 . 1 19 19 GLY H H 1 7.858 . . 1 . . . . . 359 GLY H . 51414 1 28 . 1 . 1 19 19 GLY N N 15 109.232 . . 1 . . . . . 359 GLY N . 51414 1 29 . 1 . 1 20 20 ILE H H 1 8.305 . . 1 . . . . . 360 ILE H . 51414 1 30 . 1 . 1 20 20 ILE N N 15 125.331 . . 1 . . . . . 360 ILE N . 51414 1 31 . 1 . 1 21 21 LEU H H 1 8.328 . . 1 . . . . . 361 LEU H . 51414 1 32 . 1 . 1 21 21 LEU N N 15 121.367 . . 1 . . . . . 361 LEU N . 51414 1 33 . 1 . 1 22 22 LYS H H 1 8.361 . . 1 . . . . . 362 LYS H . 51414 1 34 . 1 . 1 22 22 LYS N N 15 118.156 . . 1 . . . . . 362 LYS N . 51414 1 35 . 1 . 1 23 23 GLU H H 1 7.938 . . 1 . . . . . 363 GLU H . 51414 1 36 . 1 . 1 23 23 GLU N N 15 120.646 . . 1 . . . . . 363 GLU N . 51414 1 37 . 1 . 1 24 24 MET H H 1 8.315 . . 1 . . . . . 364 MET H . 51414 1 38 . 1 . 1 24 24 MET N N 15 118.424 . . 1 . . . . . 364 MET N . 51414 1 39 . 1 . 1 25 25 PHE H H 1 7.853 . . 1 . . . . . 365 PHE H . 51414 1 40 . 1 . 1 25 25 PHE N N 15 117.282 . . 1 . . . . . 365 PHE N . 51414 1 41 . 1 . 1 26 26 ALA H H 1 8.083 . . 1 . . . . . 366 ALA H . 51414 1 42 . 1 . 1 26 26 ALA N N 15 124.175 . . 1 . . . . . 366 ALA N . 51414 1 43 . 1 . 1 29 29 HIS H H 1 7.081 . . 1 . . . . . 369 HIS H . 51414 1 44 . 1 . 1 29 29 HIS N N 15 116.101 . . 1 . . . . . 369 HIS N . 51414 1 45 . 1 . 1 30 30 ALA H H 1 7.669 . . 1 . . . . . 370 ALA H . 51414 1 46 . 1 . 1 30 30 ALA N N 15 122.724 . . 1 . . . . . 370 ALA N . 51414 1 47 . 1 . 1 31 31 ALA H H 1 8.528 . . 1 . . . . . 371 ALA H . 51414 1 48 . 1 . 1 31 31 ALA N N 15 116.996 . . 1 . . . . . 371 ALA N . 51414 1 49 . 1 . 1 32 32 TYR H H 1 7.02 . . 1 . . . . . 372 TYR H . 51414 1 50 . 1 . 1 32 32 TYR N N 15 110.798 . . 1 . . . . . 372 TYR N . 51414 1 51 . 1 . 1 33 33 ALA H H 1 8.01 . . 1 . . . . . 373 ALA H . 51414 1 52 . 1 . 1 33 33 ALA N N 15 120.001 . . 1 . . . . . 373 ALA N . 51414 1 53 . 1 . 1 34 34 TRP H H 1 6.94 . . 1 . . . . . 374 TRP H . 51414 1 54 . 1 . 1 34 34 TRP N N 15 115.06 . . 1 . . . . . 374 TRP N . 51414 1 55 . 1 . 1 36 36 PHE H H 1 7.741 . . 1 . . . . . 376 PHE H . 51414 1 56 . 1 . 1 36 36 PHE N N 15 113.68 . . 1 . . . . . 376 PHE N . 51414 1 57 . 1 . 1 37 37 TYR H H 1 7.343 . . 1 . . . . . 377 TYR H . 51414 1 58 . 1 . 1 37 37 TYR N N 15 117.943 . . 1 . . . . . 377 TYR N . 51414 1 59 . 1 . 1 38 38 LYS H H 1 7.877 . . 1 . . . . . 378 LYS H . 51414 1 60 . 1 . 1 38 38 LYS N N 15 116.128 . . 1 . . . . . 378 LYS N . 51414 1 61 . 1 . 1 40 40 VAL H H 1 8.557 . . 1 . . . . . 380 VAL H . 51414 1 62 . 1 . 1 40 40 VAL N N 15 125.845 . . 1 . . . . . 380 VAL N . 51414 1 63 . 1 . 1 41 41 ASP H H 1 8.452 . . 1 . . . . . 381 ASP H . 51414 1 64 . 1 . 1 41 41 ASP N N 15 129.966 . . 1 . . . . . 381 ASP N . 51414 1 65 . 1 . 1 42 42 VAL H H 1 7.625 . . 1 . . . . . 382 VAL H . 51414 1 66 . 1 . 1 42 42 VAL N N 15 120.173 . . 1 . . . . . 382 VAL N . 51414 1 67 . 1 . 1 43 43 GLU H H 1 8.293 . . 1 . . . . . 383 GLU H . 51414 1 68 . 1 . 1 43 43 GLU N N 15 119.927 . . 1 . . . . . 383 GLU N . 51414 1 69 . 1 . 1 44 44 ALA H H 1 7.877 . . 1 . . . . . 384 ALA H . 51414 1 70 . 1 . 1 44 44 ALA N N 15 123.354 . . 1 . . . . . 384 ALA N . 51414 1 71 . 1 . 1 45 45 LEU H H 1 7.865 . . 1 . . . . . 385 LEU H . 51414 1 72 . 1 . 1 45 45 LEU N N 15 114.743 . . 1 . . . . . 385 LEU N . 51414 1 73 . 1 . 1 46 46 GLY H H 1 7.658 . . 1 . . . . . 386 GLY H . 51414 1 74 . 1 . 1 46 46 GLY N N 15 109.826 . . 1 . . . . . 386 GLY N . 51414 1 75 . 1 . 1 47 47 LEU H H 1 7.964 . . 1 . . . . . 387 LEU H . 51414 1 76 . 1 . 1 47 47 LEU N N 15 119.511 . . 1 . . . . . 387 LEU N . 51414 1 77 . 1 . 1 48 48 HIS H H 1 7.953 . . 1 . . . . . 388 HIS H . 51414 1 78 . 1 . 1 48 48 HIS N N 15 121.412 . . 1 . . . . . 388 HIS N . 51414 1 79 . 1 . 1 49 49 ASP H H 1 8.663 . . 1 . . . . . 389 ASP H . 51414 1 80 . 1 . 1 49 49 ASP N N 15 116.546 . . 1 . . . . . 389 ASP N . 51414 1 81 . 1 . 1 50 50 TYR H H 1 7.599 . . 1 . . . . . 390 TYR H . 51414 1 82 . 1 . 1 50 50 TYR N N 15 124.373 . . 1 . . . . . 390 TYR N . 51414 1 83 . 1 . 1 51 51 CYS H H 1 8.563 . . 1 . . . . . 391 CYS H . 51414 1 84 . 1 . 1 51 51 CYS N N 15 113.666 . . 1 . . . . . 391 CYS N . 51414 1 85 . 1 . 1 52 52 ASP H H 1 7.382 . . 1 . . . . . 392 ASP H . 51414 1 86 . 1 . 1 52 52 ASP N N 15 118.661 . . 1 . . . . . 392 ASP N . 51414 1 87 . 1 . 1 53 53 ILE H H 1 7.166 . . 1 . . . . . 393 ILE H . 51414 1 88 . 1 . 1 53 53 ILE N N 15 119.159 . . 1 . . . . . 393 ILE N . 51414 1 89 . 1 . 1 54 54 ILE H H 1 8.612 . . 1 . . . . . 394 ILE H . 51414 1 90 . 1 . 1 54 54 ILE N N 15 122.808 . . 1 . . . . . 394 ILE N . 51414 1 91 . 1 . 1 55 55 LYS H H 1 7.739 . . 1 . . . . . 395 LYS H . 51414 1 92 . 1 . 1 55 55 LYS N N 15 123.453 . . 1 . . . . . 395 LYS N . 51414 1 93 . 1 . 1 56 56 HIS H H 1 8.307 . . 1 . . . . . 396 HIS H . 51414 1 94 . 1 . 1 56 56 HIS N N 15 116.931 . . 1 . . . . . 396 HIS N . 51414 1 95 . 1 . 1 58 58 MET H H 1 8.271 . . 1 . . . . . 398 MET H . 51414 1 96 . 1 . 1 58 58 MET N N 15 119.329 . . 1 . . . . . 398 MET N . 51414 1 97 . 1 . 1 59 59 ASP H H 1 7.233 . . 1 . . . . . 399 ASP H . 51414 1 98 . 1 . 1 59 59 ASP N N 15 119.961 . . 1 . . . . . 399 ASP N . 51414 1 99 . 1 . 1 60 60 MET H H 1 8.917 . . 1 . . . . . 400 MET H . 51414 1 100 . 1 . 1 60 60 MET N N 15 118.09 . . 1 . . . . . 400 MET N . 51414 1 101 . 1 . 1 61 61 SER H H 1 8.853 . . 1 . . . . . 401 SER H . 51414 1 102 . 1 . 1 61 61 SER N N 15 119.956 . . 1 . . . . . 401 SER N . 51414 1 103 . 1 . 1 62 62 THR H H 1 8.467 . . 1 . . . . . 402 THR H . 51414 1 104 . 1 . 1 62 62 THR N N 15 126.685 . . 1 . . . . . 402 THR N . 51414 1 105 . 1 . 1 63 63 ILE H H 1 7.674 . . 1 . . . . . 403 ILE H . 51414 1 106 . 1 . 1 63 63 ILE N N 15 123.487 . . 1 . . . . . 403 ILE N . 51414 1 107 . 1 . 1 64 64 LYS H H 1 8.49 . . 1 . . . . . 404 LYS H . 51414 1 108 . 1 . 1 64 64 LYS N N 15 120.941 . . 1 . . . . . 404 LYS N . 51414 1 109 . 1 . 1 65 65 SER H H 1 8.278 . . 1 . . . . . 405 SER H . 51414 1 110 . 1 . 1 65 65 SER N N 15 115.069 . . 1 . . . . . 405 SER N . 51414 1 111 . 1 . 1 66 66 LYS H H 1 8.372 . . 1 . . . . . 406 LYS H . 51414 1 112 . 1 . 1 66 66 LYS N N 15 124.124 . . 1 . . . . . 406 LYS N . 51414 1 113 . 1 . 1 67 67 LEU H H 1 8.766 . . 1 . . . . . 407 LEU H . 51414 1 114 . 1 . 1 67 67 LEU N N 15 121.577 . . 1 . . . . . 407 LEU N . 51414 1 115 . 1 . 1 68 68 GLU H H 1 8.701 . . 1 . . . . . 408 GLU H . 51414 1 116 . 1 . 1 68 68 GLU N N 15 121.423 . . 1 . . . . . 408 GLU N . 51414 1 117 . 1 . 1 69 69 ALA H H 1 7.867 . . 1 . . . . . 409 ALA H . 51414 1 118 . 1 . 1 69 69 ALA N N 15 120.11 . . 1 . . . . . 409 ALA N . 51414 1 119 . 1 . 1 70 70 ARG H H 1 7.903 . . 1 . . . . . 410 ARG H . 51414 1 120 . 1 . 1 70 70 ARG N N 15 115.132 . . 1 . . . . . 410 ARG N . 51414 1 121 . 1 . 1 71 71 GLU H H 1 8.464 . . 1 . . . . . 411 GLU H . 51414 1 122 . 1 . 1 71 71 GLU N N 15 115.828 . . 1 . . . . . 411 GLU N . 51414 1 123 . 1 . 1 72 72 TYR H H 1 7.326 . . 1 . . . . . 412 TYR H . 51414 1 124 . 1 . 1 72 72 TYR N N 15 116.219 . . 1 . . . . . 412 TYR N . 51414 1 125 . 1 . 1 73 73 ARG H H 1 9.625 . . 1 . . . . . 413 ARG H . 51414 1 126 . 1 . 1 73 73 ARG N N 15 123.925 . . 1 . . . . . 413 ARG N . 51414 1 127 . 1 . 1 74 74 ASP H H 1 7.522 . . 1 . . . . . 414 ASP H . 51414 1 128 . 1 . 1 74 74 ASP N N 15 111.147 . . 1 . . . . . 414 ASP N . 51414 1 129 . 1 . 1 75 75 ALA H H 1 9.067 . . 1 . . . . . 415 ALA H . 51414 1 130 . 1 . 1 75 75 ALA N N 15 119.205 . . 1 . . . . . 415 ALA N . 51414 1 131 . 1 . 1 76 76 GLN H H 1 8.5 . . 1 . . . . . 416 GLN H . 51414 1 132 . 1 . 1 76 76 GLN N N 15 118.591 . . 1 . . . . . 416 GLN N . 51414 1 133 . 1 . 1 77 77 GLU H H 1 8.387 . . 1 . . . . . 417 GLU H . 51414 1 134 . 1 . 1 77 77 GLU N N 15 122.255 . . 1 . . . . . 417 GLU N . 51414 1 135 . 1 . 1 78 78 PHE H H 1 6.843 . . 1 . . . . . 418 PHE H . 51414 1 136 . 1 . 1 78 78 PHE N N 15 121.131 . . 1 . . . . . 418 PHE N . 51414 1 137 . 1 . 1 79 79 GLY H H 1 8.899 . . 1 . . . . . 419 GLY H . 51414 1 138 . 1 . 1 79 79 GLY N N 15 106.999 . . 1 . . . . . 419 GLY N . 51414 1 139 . 1 . 1 80 80 ALA H H 1 8.025 . . 1 . . . . . 420 ALA H . 51414 1 140 . 1 . 1 80 80 ALA N N 15 122.059 . . 1 . . . . . 420 ALA N . 51414 1 141 . 1 . 1 81 81 ASP H H 1 7.167 . . 1 . . . . . 421 ASP H . 51414 1 142 . 1 . 1 81 81 ASP N N 15 121.064 . . 1 . . . . . 421 ASP N . 51414 1 143 . 1 . 1 82 82 VAL H H 1 7.294 . . 1 . . . . . 422 VAL H . 51414 1 144 . 1 . 1 82 82 VAL N N 15 120.55 . . 1 . . . . . 422 VAL N . 51414 1 145 . 1 . 1 83 83 ARG H H 1 8.09 . . 1 . . . . . 423 ARG H . 51414 1 146 . 1 . 1 83 83 ARG N N 15 115.916 . . 1 . . . . . 423 ARG N . 51414 1 147 . 1 . 1 84 84 LEU H H 1 7.91 . . 1 . . . . . 424 LEU H . 51414 1 148 . 1 . 1 84 84 LEU N N 15 124.35 . . 1 . . . . . 424 LEU N . 51414 1 149 . 1 . 1 85 85 MET H H 1 7.337 . . 1 . . . . . 425 MET H . 51414 1 150 . 1 . 1 85 85 MET N N 15 118.293 . . 1 . . . . . 425 MET N . 51414 1 151 . 1 . 1 86 86 PHE H H 1 7.065 . . 1 . . . . . 426 PHE H . 51414 1 152 . 1 . 1 86 86 PHE N N 15 117.537 . . 1 . . . . . 426 PHE N . 51414 1 153 . 1 . 1 87 87 SER H H 1 9.031 . . 1 . . . . . 427 SER H . 51414 1 154 . 1 . 1 87 87 SER N N 15 116.03 . . 1 . . . . . 427 SER N . 51414 1 155 . 1 . 1 88 88 ASN H H 1 8.853 . . 1 . . . . . 428 ASN H . 51414 1 156 . 1 . 1 88 88 ASN N N 15 119.956 . . 1 . . . . . 428 ASN N . 51414 1 157 . 1 . 1 89 89 CYS H H 1 7.021 . . 1 . . . . . 429 CYS H . 51414 1 158 . 1 . 1 89 89 CYS N N 15 120.578 . . 1 . . . . . 429 CYS N . 51414 1 159 . 1 . 1 90 90 TYR H H 1 7.94 . . 1 . . . . . 430 TYR H . 51414 1 160 . 1 . 1 90 90 TYR N N 15 117.737 . . 1 . . . . . 430 TYR N . 51414 1 161 . 1 . 1 93 93 ASN H H 1 7.496 . . 1 . . . . . 433 ASN H . 51414 1 162 . 1 . 1 93 93 ASN N N 15 113.897 . . 1 . . . . . 433 ASN N . 51414 1 163 . 1 . 1 96 96 ASP H H 1 8.341 . . 1 . . . . . 436 ASP H . 51414 1 164 . 1 . 1 96 96 ASP N N 15 114.391 . . 1 . . . . . 436 ASP N . 51414 1 165 . 1 . 1 97 97 HIS H H 1 8.085 . . 1 . . . . . 437 HIS H . 51414 1 166 . 1 . 1 97 97 HIS N N 15 122.757 . . 1 . . . . . 437 HIS N . 51414 1 167 . 1 . 1 98 98 GLU H H 1 9.11 . . 1 . . . . . 438 GLU H . 51414 1 168 . 1 . 1 98 98 GLU N N 15 130.976 . . 1 . . . . . 438 GLU N . 51414 1 169 . 1 . 1 100 100 VAL H H 1 7.407 . . 1 . . . . . 440 VAL H . 51414 1 170 . 1 . 1 100 100 VAL N N 15 122.884 . . 1 . . . . . 440 VAL N . 51414 1 171 . 1 . 1 101 101 ALA H H 1 7.155 . . 1 . . . . . 441 ALA H . 51414 1 172 . 1 . 1 101 101 ALA N N 15 122.697 . . 1 . . . . . 441 ALA N . 51414 1 173 . 1 . 1 102 102 MET H H 1 8.031 . . 1 . . . . . 442 MET H . 51414 1 174 . 1 . 1 102 102 MET N N 15 119.431 . . 1 . . . . . 442 MET N . 51414 1 175 . 1 . 1 103 103 ALA H H 1 8.584 . . 1 . . . . . 443 ALA H . 51414 1 176 . 1 . 1 103 103 ALA N N 15 121.456 . . 1 . . . . . 443 ALA N . 51414 1 177 . 1 . 1 104 104 ARG H H 1 8.36 . . 1 . . . . . 444 ARG H . 51414 1 178 . 1 . 1 104 104 ARG N N 15 116.112 . . 1 . . . . . 444 ARG N . 51414 1 179 . 1 . 1 105 105 LYS H H 1 7.426 . . 1 . . . . . 445 LYS H . 51414 1 180 . 1 . 1 105 105 LYS N N 15 119.331 . . 1 . . . . . 445 LYS N . 51414 1 181 . 1 . 1 106 106 LEU H H 1 8.198 . . 1 . . . . . 446 LEU H . 51414 1 182 . 1 . 1 106 106 LEU N N 15 120.841 . . 1 . . . . . 446 LEU N . 51414 1 183 . 1 . 1 107 107 GLN H H 1 9.242 . . 1 . . . . . 447 GLN H . 51414 1 184 . 1 . 1 107 107 GLN N N 15 121.875 . . 1 . . . . . 447 GLN N . 51414 1 185 . 1 . 1 108 108 ASP H H 1 7.625 . . 1 . . . . . 448 ASP H . 51414 1 186 . 1 . 1 108 108 ASP N N 15 120.173 . . 1 . . . . . 448 ASP N . 51414 1 187 . 1 . 1 109 109 VAL H H 1 7.094 . . 1 . . . . . 449 VAL H . 51414 1 188 . 1 . 1 109 109 VAL N N 15 119.622 . . 1 . . . . . 449 VAL N . 51414 1 189 . 1 . 1 110 110 PHE H H 1 8.112 . . 1 . . . . . 450 PHE H . 51414 1 190 . 1 . 1 110 110 PHE N N 15 118.608 . . 1 . . . . . 450 PHE N . 51414 1 191 . 1 . 1 111 111 GLU H H 1 9.632 . . 1 . . . . . 451 GLU H . 51414 1 192 . 1 . 1 111 111 GLU N N 15 118.591 . . 1 . . . . . 451 GLU N . 51414 1 193 . 1 . 1 113 113 ARG H H 1 7.377 . . 1 . . . . . 453 ARG H . 51414 1 194 . 1 . 1 113 113 ARG N N 15 116.732 . . 1 . . . . . 453 ARG N . 51414 1 195 . 1 . 1 114 114 PHE H H 1 9.232 . . 1 . . . . . 454 PHE H . 51414 1 196 . 1 . 1 114 114 PHE N N 15 123.155 . . 1 . . . . . 454 PHE N . 51414 1 197 . 1 . 1 115 115 ALA H H 1 7.482 . . 1 . . . . . 455 ALA H . 51414 1 198 . 1 . 1 115 115 ALA N N 15 117.577 . . 1 . . . . . 455 ALA N . 51414 1 199 . 1 . 1 116 116 LYS H H 1 7.081 . . 1 . . . . . 456 LYS H . 51414 1 200 . 1 . 1 116 116 LYS N N 15 116.101 . . 1 . . . . . 456 LYS N . 51414 1 201 . 1 . 1 117 117 MET H H 1 7.155 . . 1 . . . . . 457 MET H . 51414 1 202 . 1 . 1 117 117 MET N N 15 122.697 . . 1 . . . . . 457 MET N . 51414 1 203 . 1 . 1 119 119 ASP H H 1 8.407 . . 1 . . . . . 459 ASP H . 51414 1 204 . 1 . 1 119 119 ASP N N 15 121.308 . . 1 . . . . . 459 ASP N . 51414 1 205 . 1 . 1 120 120 GLU H H 1 7.821 . . 1 . . . . . 460 GLU H . 51414 1 206 . 1 . 1 120 120 GLU N N 15 124.833 . . 1 . . . . . 460 GLU N . 51414 1 stop_ save_