################################### # 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 50451 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PDZ2_assign _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 TROSY' . . . 50451 1 2 '3D HNCA' . . . 50451 1 3 '3D HNCO' . . . 50451 1 4 '3D HNCACB' . . . 50451 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all nitrogens' 15 45 . 50451 1 'TROSY offset' 'all 1H' 1 45 . 50451 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 . . 50451 1 2 $software_2 . . 50451 1 3 $software_3 . . 50451 1 4 $software_4 . . 50451 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 9 9 ILE H H 1 7.673 0.020 . 1 . . . . . 367 ILE H . 50451 1 2 . 1 . 1 9 9 ILE CA C 13 60.794 0.3 . 1 . . . . . 367 ILE CA . 50451 1 3 . 1 . 1 9 9 ILE CB C 13 37.696 0.3 . 1 . . . . . 367 ILE CB . 50451 1 4 . 1 . 1 9 9 ILE N N 15 120.066 0.3 . 1 . . . . . 367 ILE N . 50451 1 5 . 1 . 1 14 14 GLU H H 1 8.691 0.020 . 1 . . . . . 372 GLU H . 50451 1 6 . 1 . 1 14 14 GLU CA C 13 59.121 0.3 . 1 . . . . . 372 GLU CA . 50451 1 7 . 1 . 1 14 14 GLU CB C 13 29.767 0.3 . 1 . . . . . 372 GLU CB . 50451 1 8 . 1 . 1 14 14 GLU N N 15 128.350 0.3 . 1 . . . . . 372 GLU N . 50451 1 9 . 1 . 1 15 15 GLY H H 1 8.819 0.020 . 1 . . . . . 373 GLY H . 50451 1 10 . 1 . 1 15 15 GLY CA C 13 45.134 0.3 . 1 . . . . . 373 GLY CA . 50451 1 11 . 1 . 1 15 15 GLY N N 15 113.718 0.3 . 1 . . . . . 373 GLY N . 50451 1 12 . 1 . 1 16 16 ALA H H 1 8.522 0.020 . 1 . . . . . 374 ALA H . 50451 1 13 . 1 . 1 16 16 ALA CA C 13 49.767 0.3 . 1 . . . . . 374 ALA CA . 50451 1 14 . 1 . 1 16 16 ALA CB C 13 21.482 0.3 . 1 . . . . . 374 ALA CB . 50451 1 15 . 1 . 1 16 16 ALA N N 15 123.028 0.3 . 1 . . . . . 374 ALA N . 50451 1 16 . 1 . 1 17 17 GLU H H 1 8.325 0.020 . 1 . . . . . 375 GLU H . 50451 1 17 . 1 . 1 17 17 GLU CA C 13 55.736 0.3 . 1 . . . . . 375 GLU CA . 50451 1 18 . 1 . 1 17 17 GLU CB C 13 32.172 0.3 . 1 . . . . . 375 GLU CB . 50451 1 19 . 1 . 1 17 17 GLU N N 15 122.559 0.3 . 1 . . . . . 375 GLU N . 50451 1 20 . 1 . 1 18 18 MET H H 1 8.888 0.020 . 1 . . . . . 376 MET H . 50451 1 21 . 1 . 1 18 18 MET CA C 13 54.845 0.3 . 1 . . . . . 376 MET CA . 50451 1 22 . 1 . 1 18 18 MET CB C 13 37.161 0.3 . 1 . . . . . 376 MET CB . 50451 1 23 . 1 . 1 18 18 MET N N 15 123.889 0.3 . 1 . . . . . 376 MET N . 50451 1 24 . 1 . 1 19 19 SER H H 1 9.214 0.020 . 1 . . . . . 377 SER H . 50451 1 25 . 1 . 1 19 19 SER CA C 13 57.606 0.3 . 1 . . . . . 377 SER CA . 50451 1 26 . 1 . 1 19 19 SER CB C 13 66.381 0.3 . 1 . . . . . 377 SER CB . 50451 1 27 . 1 . 1 19 19 SER N N 15 114.423 0.3 . 1 . . . . . 377 SER N . 50451 1 28 . 1 . 1 21 21 LYS H H 1 8.971 0.020 . 1 . . . . . 379 LYS H . 50451 1 29 . 1 . 1 21 21 LYS CA C 13 57.339 0.3 . 1 . . . . . 379 LYS CA . 50451 1 30 . 1 . 1 21 21 LYS CB C 13 38.015 0.3 . 1 . . . . . 379 LYS CB . 50451 1 31 . 1 . 1 21 21 LYS N N 15 126.181 0.3 . 1 . . . . . 379 LYS N . 50451 1 32 . 1 . 1 24 24 ASP H H 1 8.783 0.020 . 1 . . . . . 382 ASP H . 50451 1 33 . 1 . 1 24 24 ASP CA C 13 55.914 0.3 . 1 . . . . . 382 ASP CA . 50451 1 34 . 1 . 1 24 24 ASP CB C 13 39.032 0.3 . 1 . . . . . 382 ASP CB . 50451 1 35 . 1 . 1 24 24 ASP N N 15 118.886 0.3 . 1 . . . . . 382 ASP N . 50451 1 36 . 1 . 1 25 25 GLN H H 1 7.746 0.020 . 1 . . . . . 383 GLN H . 50451 1 37 . 1 . 1 25 25 GLN CA C 13 55.513 0.3 . 1 . . . . . 383 GLN CA . 50451 1 38 . 1 . 1 25 25 GLN CB C 13 29.926 0.3 . 1 . . . . . 383 GLN CB . 50451 1 39 . 1 . 1 25 25 GLN N N 15 114.515 0.3 . 1 . . . . . 383 GLN N . 50451 1 40 . 1 . 1 26 26 GLY H H 1 8.295 0.020 . 1 . . . . . 384 GLY H . 50451 1 41 . 1 . 1 26 26 GLY CA C 13 43.442 0.3 . 1 . . . . . 384 GLY CA . 50451 1 42 . 1 . 1 26 26 GLY N N 15 106.619 0.3 . 1 . . . . . 384 GLY N . 50451 1 43 . 1 . 1 28 28 VAL H H 1 9.544 0.020 . 1 . . . . . 386 VAL H . 50451 1 44 . 1 . 1 28 28 VAL CA C 13 59.993 0.3 . 1 . . . . . 386 VAL CA . 50451 1 45 . 1 . 1 28 28 VAL CB C 13 34.884 0.3 . 1 . . . . . 386 VAL CB . 50451 1 46 . 1 . 1 28 28 VAL N N 15 128.025 0.3 . 1 . . . . . 386 VAL N . 50451 1 47 . 1 . 1 29 29 VAL H H 1 9.048 0.020 . 1 . . . . . 387 VAL H . 50451 1 48 . 1 . 1 29 29 VAL CA C 13 62.239 0.3 . 1 . . . . . 387 VAL CA . 50451 1 49 . 1 . 1 29 29 VAL CB C 13 31.014 0.3 . 1 . . . . . 387 VAL CB . 50451 1 50 . 1 . 1 29 29 VAL N N 15 126.747 0.3 . 1 . . . . . 387 VAL N . 50451 1 51 . 1 . 1 30 30 ASN H H 1 9.477 0.020 . 1 . . . . . 388 ASN H . 50451 1 52 . 1 . 1 30 30 ASN CA C 13 55.290 0.3 . 1 . . . . . 388 ASN CA . 50451 1 53 . 1 . 1 30 30 ASN CB C 13 40.171 0.3 . 1 . . . . . 388 ASN CB . 50451 1 54 . 1 . 1 30 30 ASN N N 15 128.705 0.3 . 1 . . . . . 388 ASN N . 50451 1 55 . 1 . 1 31 31 ASN H H 1 7.840 0.020 . 1 . . . . . 389 ASN H . 50451 1 56 . 1 . 1 31 31 ASN CA C 13 53.687 0.3 . 1 . . . . . 389 ASN CA . 50451 1 57 . 1 . 1 31 31 ASN CB C 13 42.150 0.3 . 1 . . . . . 389 ASN CB . 50451 1 58 . 1 . 1 31 31 ASN N N 15 113.511 0.3 . 1 . . . . . 389 ASN N . 50451 1 59 . 1 . 1 35 35 GLY H H 1 9.159 0.020 . 1 . . . . . 393 GLY H . 50451 1 60 . 1 . 1 35 35 GLY CA C 13 46.203 0.3 . 1 . . . . . 393 GLY CA . 50451 1 61 . 1 . 1 36 36 THR H H 1 7.317 0.020 . 1 . . . . . 394 THR H . 50451 1 62 . 1 . 1 36 36 THR CA C 13 59.920 0.3 . 1 . . . . . 394 THR CA . 50451 1 63 . 1 . 1 36 36 THR CB C 13 69.787 0.3 . 1 . . . . . 394 THR CB . 50451 1 64 . 1 . 1 36 36 THR N N 15 108.876 0.3 . 1 . . . . . 394 THR N . 50451 1 65 . 1 . 1 38 38 ALA H H 1 8.519 0.020 . 1 . . . . . 396 ALA H . 50451 1 66 . 1 . 1 38 38 ALA CA C 13 55.290 0.3 . 1 . . . . . 396 ALA CA . 50451 1 67 . 1 . 1 38 38 ALA CB C 13 20.235 0.3 . 1 . . . . . 396 ALA CB . 50451 1 68 . 1 . 1 38 38 ALA N N 15 116.319 0.3 . 1 . . . . . 396 ALA N . 50451 1 69 . 1 . 1 39 39 ALA H H 1 7.450 0.020 . 1 . . . . . 397 ALA H . 50451 1 70 . 1 . 1 39 39 ALA CA C 13 54.488 0.3 . 1 . . . . . 397 ALA CA . 50451 1 71 . 1 . 1 39 39 ALA CB C 13 18.720 0.3 . 1 . . . . . 397 ALA CB . 50451 1 72 . 1 . 1 39 39 ALA N N 15 118.818 0.3 . 1 . . . . . 397 ALA N . 50451 1 73 . 1 . 1 40 40 GLN H H 1 8.671 0.020 . 1 . . . . . 398 GLN H . 50451 1 74 . 1 . 1 40 40 GLN CA C 13 58.943 0.3 . 1 . . . . . 398 GLN CA . 50451 1 75 . 1 . 1 40 40 GLN CB C 13 28.639 0.3 . 1 . . . . . 398 GLN CB . 50451 1 76 . 1 . 1 40 40 GLN N N 15 120.860 0.3 . 1 . . . . . 398 GLN N . 50451 1 77 . 1 . 1 41 41 ILE H H 1 8.345 0.020 . 1 . . . . . 399 ILE H . 50451 1 78 . 1 . 1 41 41 ILE CA C 13 63.041 0.3 . 1 . . . . . 399 ILE CA . 50451 1 79 . 1 . 1 41 41 ILE CB C 13 38.854 0.3 . 1 . . . . . 399 ILE CB . 50451 1 80 . 1 . 1 41 41 ILE N N 15 115.056 0.3 . 1 . . . . . 399 ILE N . 50451 1 81 . 1 . 1 42 42 GLY H H 1 7.550 0.020 . 1 . . . . . 400 GLY H . 50451 1 82 . 1 . 1 42 42 GLY CA C 13 45.134 0.3 . 1 . . . . . 400 GLY CA . 50451 1 83 . 1 . 1 42 42 GLY N N 15 104.829 0.3 . 1 . . . . . 400 GLY N . 50451 1 84 . 1 . 1 43 43 LEU H H 1 7.481 0.020 . 1 . . . . . 401 LEU H . 50451 1 85 . 1 . 1 43 43 LEU CA C 13 55.825 0.3 . 1 . . . . . 401 LEU CA . 50451 1 86 . 1 . 1 43 43 LEU CB C 13 43.754 0.3 . 1 . . . . . 401 LEU CB . 50451 1 87 . 1 . 1 43 43 LEU N N 15 121.069 0.3 . 1 . . . . . 401 LEU N . 50451 1 88 . 1 . 1 44 44 LYS H H 1 8.949 0.020 . 1 . . . . . 402 LYS H . 50451 1 89 . 1 . 1 44 44 LYS CA C 13 54.399 0.3 . 1 . . . . . 402 LYS CA . 50451 1 90 . 1 . 1 44 44 LYS CB C 13 36.894 0.3 . 1 . . . . . 402 LYS CB . 50451 1 91 . 1 . 1 44 44 LYS N N 15 121.223 0.3 . 1 . . . . . 402 LYS N . 50451 1 92 . 1 . 1 45 45 LYS H H 1 8.659 0.020 . 1 . . . . . 403 LYS H . 50451 1 93 . 1 . 1 45 45 LYS CA C 13 58.497 0.3 . 1 . . . . . 403 LYS CA . 50451 1 94 . 1 . 1 45 45 LYS CB C 13 32.440 0.3 . 1 . . . . . 403 LYS CB . 50451 1 95 . 1 . 1 45 45 LYS N N 15 121.475 0.3 . 1 . . . . . 403 LYS N . 50451 1 96 . 1 . 1 46 46 GLY H H 1 9.628 0.020 . 1 . . . . . 404 GLY H . 50451 1 97 . 1 . 1 46 46 GLY CA C 13 44.867 0.3 . 1 . . . . . 404 GLY CA . 50451 1 98 . 1 . 1 46 46 GLY N N 15 117.509 0.3 . 1 . . . . . 404 GLY N . 50451 1 99 . 1 . 1 47 47 ASP H H 1 8.290 0.020 . 1 . . . . . 405 ASP H . 50451 1 100 . 1 . 1 47 47 ASP CA C 13 56.003 0.3 . 1 . . . . . 405 ASP CA . 50451 1 101 . 1 . 1 47 47 ASP CB C 13 42.150 0.3 . 1 . . . . . 405 ASP CB . 50451 1 102 . 1 . 1 47 47 ASP N N 15 124.553 0.3 . 1 . . . . . 405 ASP N . 50451 1 103 . 1 . 1 48 48 VAL H H 1 8.370 0.020 . 1 . . . . . 406 VAL H . 50451 1 104 . 1 . 1 48 48 VAL CA C 13 60.635 0.3 . 1 . . . . . 406 VAL CA . 50451 1 105 . 1 . 1 48 48 VAL CB C 13 34.043 0.3 . 1 . . . . . 406 VAL CB . 50451 1 106 . 1 . 1 48 48 VAL N N 15 119.537 0.3 . 1 . . . . . 406 VAL N . 50451 1 107 . 1 . 1 49 49 ILE H H 1 10.266 0.020 . 1 . . . . . 407 ILE H . 50451 1 108 . 1 . 1 49 49 ILE CA C 13 62.595 0.3 . 1 . . . . . 407 ILE CA . 50451 1 109 . 1 . 1 49 49 ILE CB C 13 39.299 0.3 . 1 . . . . . 407 ILE CB . 50451 1 110 . 1 . 1 49 49 ILE N N 15 129.753 0.3 . 1 . . . . . 407 ILE N . 50451 1 111 . 1 . 1 50 50 ILE H H 1 8.710 0.020 . 1 . . . . . 408 ILE H . 50451 1 112 . 1 . 1 50 50 ILE CA C 13 60.814 0.3 . 1 . . . . . 408 ILE CA . 50451 1 113 . 1 . 1 50 50 ILE CB C 13 39.566 0.3 . 1 . . . . . 408 ILE CB . 50451 1 114 . 1 . 1 50 50 ILE N N 15 118.636 0.3 . 1 . . . . . 408 ILE N . 50451 1 115 . 1 . 1 51 51 GLY H H 1 8.322 0.020 . 1 . . . . . 409 GLY H . 50451 1 116 . 1 . 1 51 51 GLY CA C 13 46.292 0.3 . 1 . . . . . 409 GLY CA . 50451 1 117 . 1 . 1 51 51 GLY N N 15 112.478 0.3 . 1 . . . . . 409 GLY N . 50451 1 118 . 1 . 1 53 53 ASN H H 1 9.848 0.020 . 1 . . . . . 411 ASN H . 50451 1 119 . 1 . 1 53 53 ASN CA C 13 54.733 0.3 . 1 . . . . . 411 ASN CA . 50451 1 120 . 1 . 1 53 53 ASN CB C 13 36.411 0.3 . 1 . . . . . 411 ASN CB . 50451 1 121 . 1 . 1 53 53 ASN N N 15 123.454 0.3 . 1 . . . . . 411 ASN N . 50451 1 122 . 1 . 1 56 56 ALA H H 1 8.795 0.020 . 1 . . . . . 414 ALA H . 50451 1 123 . 1 . 1 56 56 ALA CA C 13 53.059 0.3 . 1 . . . . . 414 ALA CA . 50451 1 124 . 1 . 1 56 56 ALA CB C 13 18.879 0.3 . 1 . . . . . 414 ALA CB . 50451 1 125 . 1 . 1 56 56 ALA N N 15 127.702 0.3 . 1 . . . . . 414 ALA N . 50451 1 126 . 1 . 1 57 57 VAL H H 1 7.805 0.020 . 1 . . . . . 415 VAL H . 50451 1 127 . 1 . 1 57 57 VAL CA C 13 61.170 0.3 . 1 . . . . . 415 VAL CA . 50451 1 128 . 1 . 1 57 57 VAL CB C 13 34.845 0.3 . 1 . . . . . 415 VAL CB . 50451 1 129 . 1 . 1 57 57 VAL N N 15 120.998 0.3 . 1 . . . . . 415 VAL N . 50451 1 130 . 1 . 1 58 58 LYS H H 1 9.218 0.020 . 1 . . . . . 416 LYS H . 50451 1 131 . 1 . 1 58 58 LYS CA C 13 56.716 0.3 . 1 . . . . . 416 LYS CA . 50451 1 132 . 1 . 1 58 58 LYS CB C 13 34.221 0.3 . 1 . . . . . 416 LYS CB . 50451 1 133 . 1 . 1 58 58 LYS N N 15 122.867 0.3 . 1 . . . . . 416 LYS N . 50451 1 134 . 1 . 1 59 59 ASN H H 1 7.594 0.020 . 1 . . . . . 417 ASN H . 50451 1 135 . 1 . 1 59 59 ASN CA C 13 52.384 0.3 . 1 . . . . . 417 ASN CA . 50451 1 136 . 1 . 1 59 59 ASN CB C 13 39.824 0.3 . 1 . . . . . 417 ASN CB . 50451 1 137 . 1 . 1 59 59 ASN N N 15 110.728 0.3 . 1 . . . . . 417 ASN N . 50451 1 138 . 1 . 1 60 60 ILE H H 1 9.972 0.020 . 1 . . . . . 418 ILE H . 50451 1 139 . 1 . 1 60 60 ILE CA C 13 65.090 0.3 . 1 . . . . . 418 ILE CA . 50451 1 140 . 1 . 1 60 60 ILE CB C 13 39.923 0.3 . 1 . . . . . 418 ILE CB . 50451 1 141 . 1 . 1 60 60 ILE N N 15 119.501 0.3 . 1 . . . . . 418 ILE N . 50451 1 142 . 1 . 1 61 61 ALA H H 1 8.420 0.020 . 1 . . . . . 419 ALA H . 50451 1 143 . 1 . 1 61 61 ALA CA C 13 55.736 0.3 . 1 . . . . . 419 ALA CA . 50451 1 144 . 1 . 1 61 61 ALA CB C 13 17.562 0.3 . 1 . . . . . 419 ALA CB . 50451 1 145 . 1 . 1 61 61 ALA N N 15 125.637 0.3 . 1 . . . . . 419 ALA N . 50451 1 146 . 1 . 1 62 62 GLU H H 1 8.416 0.020 . 1 . . . . . 420 GLU H . 50451 1 147 . 1 . 1 62 62 GLU CA C 13 59.638 0.3 . 1 . . . . . 420 GLU CA . 50451 1 148 . 1 . 1 62 62 GLU CB C 13 30.282 0.3 . 1 . . . . . 420 GLU CB . 50451 1 149 . 1 . 1 62 62 GLU N N 15 118.697 0.3 . 1 . . . . . 420 GLU N . 50451 1 150 . 1 . 1 63 63 LEU H H 1 8.005 0.020 . 1 . . . . . 421 LEU H . 50451 1 151 . 1 . 1 63 63 LEU CA C 13 57.874 0.3 . 1 . . . . . 421 LEU CA . 50451 1 152 . 1 . 1 63 63 LEU CB C 13 41.705 0.3 . 1 . . . . . 421 LEU CB . 50451 1 153 . 1 . 1 63 63 LEU N N 15 121.258 0.3 . 1 . . . . . 421 LEU N . 50451 1 154 . 1 . 1 64 64 ARG H H 1 8.980 0.020 . 1 . . . . . 422 ARG H . 50451 1 155 . 1 . 1 64 64 ARG CA C 13 60.012 0.3 . 1 . . . . . 422 ARG CA . 50451 1 156 . 1 . 1 64 64 ARG CB C 13 29.945 0.3 . 1 . . . . . 422 ARG CB . 50451 1 157 . 1 . 1 64 64 ARG N N 15 119.309 0.3 . 1 . . . . . 422 ARG N . 50451 1 158 . 1 . 1 65 65 LYS H H 1 7.646 0.020 . 1 . . . . . 423 LYS H . 50451 1 159 . 1 . 1 65 65 LYS CA C 13 59.744 0.3 . 1 . . . . . 423 LYS CA . 50451 1 160 . 1 . 1 65 65 LYS CB C 13 32.351 0.3 . 1 . . . . . 423 LYS CB . 50451 1 161 . 1 . 1 65 65 LYS N N 15 118.111 0.3 . 1 . . . . . 423 LYS N . 50451 1 162 . 1 . 1 66 66 VAL H H 1 7.697 0.020 . 1 . . . . . 424 VAL H . 50451 1 163 . 1 . 1 66 66 VAL CA C 13 66.159 0.3 . 1 . . . . . 424 VAL CA . 50451 1 164 . 1 . 1 66 66 VAL CB C 13 31.905 0.3 . 1 . . . . . 424 VAL CB . 50451 1 165 . 1 . 1 66 66 VAL N N 15 119.006 0.3 . 1 . . . . . 424 VAL N . 50451 1 166 . 1 . 1 67 67 LEU H H 1 8.427 0.020 . 1 . . . . . 425 LEU H . 50451 1 167 . 1 . 1 67 67 LEU CA C 13 58.230 0.3 . 1 . . . . . 425 LEU CA . 50451 1 168 . 1 . 1 67 67 LEU CB C 13 40.903 0.3 . 1 . . . . . 425 LEU CB . 50451 1 169 . 1 . 1 67 67 LEU N N 15 121.050 0.3 . 1 . . . . . 425 LEU N . 50451 1 170 . 1 . 1 68 68 ASP H H 1 9.032 0.020 . 1 . . . . . 426 ASP H . 50451 1 171 . 1 . 1 68 68 ASP CA C 13 56.805 0.3 . 1 . . . . . 426 ASP CA . 50451 1 172 . 1 . 1 68 68 ASP CB C 13 40.636 0.3 . 1 . . . . . 426 ASP CB . 50451 1 173 . 1 . 1 68 68 ASP N N 15 120.943 0.3 . 1 . . . . . 426 ASP N . 50451 1 174 . 1 . 1 69 69 SER H H 1 7.744 0.020 . 1 . . . . . 427 SER H . 50451 1 175 . 1 . 1 69 69 SER CA C 13 59.438 0.3 . 1 . . . . . 427 SER CA . 50451 1 176 . 1 . 1 69 69 SER CB C 13 63.831 0.3 . 1 . . . . . 427 SER CB . 50451 1 177 . 1 . 1 69 69 SER N N 15 114.855 0.3 . 1 . . . . . 427 SER N . 50451 1 178 . 1 . 1 70 70 LYS H H 1 8.175 0.020 . 1 . . . . . 428 LYS H . 50451 1 179 . 1 . 1 70 70 LYS CA C 13 56.368 0.3 . 1 . . . . . 428 LYS CA . 50451 1 180 . 1 . 1 70 70 LYS CB C 13 30.567 0.3 . 1 . . . . . 428 LYS CB . 50451 1 181 . 1 . 1 70 70 LYS N N 15 118.763 0.3 . 1 . . . . . 428 LYS N . 50451 1 182 . 1 . 1 73 73 VAL H H 1 7.642 0.020 . 1 . . . . . 431 VAL H . 50451 1 183 . 1 . 1 73 73 VAL CA C 13 61.259 0.3 . 1 . . . . . 431 VAL CA . 50451 1 184 . 1 . 1 73 73 VAL CB C 13 34.667 0.3 . 1 . . . . . 431 VAL CB . 50451 1 185 . 1 . 1 73 73 VAL N N 15 118.585 0.3 . 1 . . . . . 431 VAL N . 50451 1 186 . 1 . 1 74 74 LEU H H 1 8.879 0.020 . 1 . . . . . 432 LEU H . 50451 1 187 . 1 . 1 74 74 LEU CA C 13 54.043 0.3 . 1 . . . . . 432 LEU CA . 50451 1 188 . 1 . 1 74 74 LEU CB C 13 44.555 0.3 . 1 . . . . . 432 LEU CB . 50451 1 189 . 1 . 1 74 74 LEU N N 15 128.321 0.3 . 1 . . . . . 432 LEU N . 50451 1 190 . 1 . 1 75 75 ALA H H 1 9.028 0.020 . 1 . . . . . 433 ALA H . 50451 1 191 . 1 . 1 75 75 ALA CA C 13 50.301 0.3 . 1 . . . . . 433 ALA CA . 50451 1 192 . 1 . 1 75 75 ALA CB C 13 20.235 0.3 . 1 . . . . . 433 ALA CB . 50451 1 193 . 1 . 1 75 75 ALA N N 15 130.142 0.3 . 1 . . . . . 433 ALA N . 50451 1 194 . 1 . 1 76 76 LEU H H 1 9.434 0.020 . 1 . . . . . 434 LEU H . 50451 1 195 . 1 . 1 76 76 LEU CA C 13 53.886 0.3 . 1 . . . . . 434 LEU CA . 50451 1 196 . 1 . 1 76 76 LEU CB C 13 44.794 0.3 . 1 . . . . . 434 LEU CB . 50451 1 197 . 1 . 1 76 76 LEU N N 15 124.460 0.3 . 1 . . . . . 434 LEU N . 50451 1 198 . 1 . 1 77 77 ASN H H 1 8.711 0.020 . 1 . . . . . 435 ASN H . 50451 1 199 . 1 . 1 77 77 ASN CA C 13 52.350 0.3 . 1 . . . . . 435 ASN CA . 50451 1 200 . 1 . 1 77 77 ASN CB C 13 39.923 0.3 . 1 . . . . . 435 ASN CB . 50451 1 201 . 1 . 1 77 77 ASN N N 15 122.795 0.3 . 1 . . . . . 435 ASN N . 50451 1 202 . 1 . 1 78 78 ILE H H 1 9.169 0.020 . 1 . . . . . 436 ILE H . 50451 1 203 . 1 . 1 78 78 ILE CA C 13 58.408 0.3 . 1 . . . . . 436 ILE CA . 50451 1 204 . 1 . 1 78 78 ILE CB C 13 42.255 0.3 . 1 . . . . . 436 ILE CB . 50451 1 205 . 1 . 1 78 78 ILE N N 15 126.765 0.3 . 1 . . . . . 436 ILE N . 50451 1 206 . 1 . 1 79 79 GLN H H 1 10.008 0.020 . 1 . . . . . 437 GLN H . 50451 1 207 . 1 . 1 79 79 GLN CA C 13 55.043 0.3 . 1 . . . . . 437 GLN CA . 50451 1 208 . 1 . 1 79 79 GLN CB C 13 29.777 0.3 . 1 . . . . . 437 GLN CB . 50451 1 209 . 1 . 1 79 79 GLN N N 15 126.606 0.3 . 1 . . . . . 437 GLN N . 50451 1 210 . 1 . 1 80 80 ARG H H 1 8.956 0.020 . 1 . . . . . 438 ARG H . 50451 1 211 . 1 . 1 80 80 ARG CA C 13 54.934 0.3 . 1 . . . . . 438 ARG CA . 50451 1 212 . 1 . 1 80 80 ARG CB C 13 32.261 0.3 . 1 . . . . . 438 ARG CB . 50451 1 213 . 1 . 1 80 80 ARG N N 15 132.400 0.3 . 1 . . . . . 438 ARG N . 50451 1 214 . 1 . 1 83 83 SER H H 1 8.177 0.020 . 1 . . . . . 441 SER H . 50451 1 215 . 1 . 1 83 83 SER CA C 13 57.963 0.3 . 1 . . . . . 441 SER CA . 50451 1 216 . 1 . 1 83 83 SER CB C 13 65.847 0.3 . 1 . . . . . 441 SER CB . 50451 1 217 . 1 . 1 83 83 SER N N 15 116.186 0.3 . 1 . . . . . 441 SER N . 50451 1 218 . 1 . 1 84 84 THR H H 1 8.550 0.020 . 1 . . . . . 442 THR H . 50451 1 219 . 1 . 1 84 84 THR CA C 13 61.090 0.3 . 1 . . . . . 442 THR CA . 50451 1 220 . 1 . 1 84 84 THR CB C 13 70.367 0.3 . 1 . . . . . 442 THR CB . 50451 1 221 . 1 . 1 84 84 THR N N 15 117.974 0.3 . 1 . . . . . 442 THR N . 50451 1 222 . 1 . 1 85 85 ILE H H 1 9.523 0.020 . 1 . . . . . 443 ILE H . 50451 1 223 . 1 . 1 85 85 ILE CA C 13 59.445 0.3 . 1 . . . . . 443 ILE CA . 50451 1 224 . 1 . 1 85 85 ILE CB C 13 42.081 0.3 . 1 . . . . . 443 ILE CB . 50451 1 225 . 1 . 1 85 85 ILE N N 15 123.417 0.3 . 1 . . . . . 443 ILE N . 50451 1 226 . 1 . 1 86 86 TYR H H 1 8.510 0.020 . 1 . . . . . 444 TYR H . 50451 1 227 . 1 . 1 86 86 TYR CA C 13 56.537 0.3 . 1 . . . . . 444 TYR CA . 50451 1 228 . 1 . 1 86 86 TYR CB C 13 40.546 0.3 . 1 . . . . . 444 TYR CB . 50451 1 229 . 1 . 1 86 86 TYR N N 15 123.575 0.3 . 1 . . . . . 444 TYR N . 50451 1 230 . 1 . 1 87 87 LEU H H 1 8.988 0.020 . 1 . . . . . 445 LEU H . 50451 1 231 . 1 . 1 87 87 LEU CA C 13 53.623 0.3 . 1 . . . . . 445 LEU CA . 50451 1 232 . 1 . 1 87 87 LEU CB C 13 45.042 0.3 . 1 . . . . . 445 LEU CB . 50451 1 233 . 1 . 1 87 87 LEU N N 15 124.471 0.3 . 1 . . . . . 445 LEU N . 50451 1 234 . 1 . 1 88 88 LEU H H 1 8.644 0.020 . 1 . . . . . 446 LEU H . 50451 1 235 . 1 . 1 88 88 LEU CA C 13 54.455 0.3 . 1 . . . . . 446 LEU CA . 50451 1 236 . 1 . 1 88 88 LEU CB C 13 44.343 0.3 . 1 . . . . . 446 LEU CB . 50451 1 237 . 1 . 1 88 88 LEU N N 15 124.562 0.3 . 1 . . . . . 446 LEU N . 50451 1 238 . 1 . 1 89 89 MET H H 1 9.113 0.020 . 1 . . . . . 447 MET H . 50451 1 239 . 1 . 1 89 89 MET CA C 13 55.825 0.3 . 1 . . . . . 447 MET CA . 50451 1 240 . 1 . 1 89 89 MET CB C 13 34.578 0.3 . 1 . . . . . 447 MET CB . 50451 1 241 . 1 . 1 89 89 MET N N 15 125.025 0.3 . 1 . . . . . 447 MET N . 50451 1 242 . 1 . 1 90 90 GLN H H 1 8.072 0.020 . 1 . . . . . 448 GLN H . 50451 1 243 . 1 . 1 90 90 GLN CA C 13 57.256 0.3 . 1 . . . . . 448 GLN CA . 50451 1 244 . 1 . 1 90 90 GLN CB C 13 31.192 0.3 . 1 . . . . . 448 GLN CB . 50451 1 245 . 1 . 1 90 90 GLN N N 15 128.734 0.3 . 1 . . . . . 448 GLN N . 50451 1 stop_ save_