################################### # 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 50781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 '2D 1H-15N HSQC' . . . 50781 1 2 '3D HNCA' . . . 50781 1 3 '3D HNCACB' . . . 50781 1 4 '3D HN(CO)CA' . . . 50781 1 5 '3D CBCACONH' . . . 50781 1 6 '3D HNCO' . . . 50781 1 7 '3D HN(CA)CO' . . . 50781 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 2 $software_2 . . 50781 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 MET CA C 13 55.422 0.3 . 1 . . . . . 1 MET CA . 50781 1 2 . 1 . 1 3 3 MET CB C 13 33.842 0.3 . 1 . . . . . 1 MET CB . 50781 1 3 . 1 . 1 4 4 THR H H 1 8.152 0.020 . 1 . . . . . 2 THR H . 50781 1 4 . 1 . 1 4 4 THR CA C 13 61.437 0.3 . 1 . . . . . 2 THR CA . 50781 1 5 . 1 . 1 4 4 THR CB C 13 70.252 0.3 . 1 . . . . . 2 THR CB . 50781 1 6 . 1 . 1 4 4 THR N N 15 114.270 0.3 . 1 . . . . . 2 THR N . 50781 1 7 . 1 . 1 5 5 ASP H H 1 8.469 0.020 . 1 . . . . . 3 ASP H . 50781 1 8 . 1 . 1 5 5 ASP CA C 13 54.136 0.3 . 1 . . . . . 3 ASP CA . 50781 1 9 . 1 . 1 5 5 ASP CB C 13 41.096 0.3 . 1 . . . . . 3 ASP CB . 50781 1 10 . 1 . 1 5 5 ASP N N 15 123.376 0.3 . 1 . . . . . 3 ASP N . 50781 1 11 . 1 . 1 6 6 LYS H H 1 8.425 0.020 . 1 . . . . . 4 LYS H . 50781 1 12 . 1 . 1 6 6 LYS CA C 13 55.789 0.3 . 1 . . . . . 4 LYS CA . 50781 1 13 . 1 . 1 6 6 LYS CB C 13 32.373 0.3 . 1 . . . . . 4 LYS CB . 50781 1 14 . 1 . 1 6 6 LYS N N 15 123.512 0.3 . 1 . . . . . 4 LYS N . 50781 1 15 . 1 . 1 7 7 ARG H H 1 8.320 0.020 . 1 . . . . . 5 ARG H . 50781 1 16 . 1 . 1 7 7 ARG CA C 13 56.577 0.3 . 1 . . . . . 5 ARG CA . 50781 1 17 . 1 . 1 7 7 ARG CB C 13 30.398 0.3 . 1 . . . . . 5 ARG CB . 50781 1 18 . 1 . 1 7 7 ARG N N 15 122.420 0.3 . 1 . . . . . 5 ARG N . 50781 1 19 . 1 . 1 8 8 LYS H H 1 8.341 0.020 . 1 . . . . . 6 LYS H . 50781 1 20 . 1 . 1 8 8 LYS CA C 13 56.524 0.3 . 1 . . . . . 6 LYS CA . 50781 1 21 . 1 . 1 8 8 LYS CB C 13 32.556 0.3 . 1 . . . . . 6 LYS CB . 50781 1 22 . 1 . 1 8 8 LYS N N 15 121.742 0.3 . 1 . . . . . 6 LYS N . 50781 1 23 . 1 . 1 9 9 ASP H H 1 8.168 0.020 . 1 . . . . . 7 ASP H . 50781 1 24 . 1 . 1 9 9 ASP CA C 13 54.185 0.3 . 1 . . . . . 7 ASP CA . 50781 1 25 . 1 . 1 9 9 ASP CB C 13 41.372 0.3 . 1 . . . . . 7 ASP CB . 50781 1 26 . 1 . 1 9 9 ASP N N 15 121.199 0.3 . 1 . . . . . 7 ASP N . 50781 1 27 . 1 . 1 10 10 GLY H H 1 8.378 0.020 . 1 . . . . . 8 GLY H . 50781 1 28 . 1 . 1 10 10 GLY CA C 13 45.596 0.3 . 1 . . . . . 8 GLY CA . 50781 1 29 . 1 . 1 10 10 GLY N N 15 110.195 0.3 . 1 . . . . . 8 GLY N . 50781 1 30 . 1 . 1 11 11 SER H H 1 8.271 0.020 . 1 . . . . . 9 SER H . 50781 1 31 . 1 . 1 11 11 SER CA C 13 59.049 0.3 . 1 . . . . . 9 SER CA . 50781 1 32 . 1 . 1 11 11 SER CB C 13 63.503 0.3 . 1 . . . . . 9 SER CB . 50781 1 33 . 1 . 1 11 11 SER N N 15 115.717 0.3 . 1 . . . . . 9 SER N . 50781 1 34 . 1 . 1 12 12 GLY H H 1 8.376 0.020 . 1 . . . . . 10 GLY H . 50781 1 35 . 1 . 1 12 12 GLY CA C 13 45.367 0.3 . 1 . . . . . 10 GLY CA . 50781 1 36 . 1 . 1 12 12 GLY N N 15 110.854 0.3 . 1 . . . . . 10 GLY N . 50781 1 37 . 1 . 1 13 13 LYS H H 1 7.859 0.020 . 1 . . . . . 11 LYS H . 50781 1 38 . 1 . 1 13 13 LYS C C 13 175.934 0.3 . 1 . . . . . 11 LYS C . 50781 1 39 . 1 . 1 13 13 LYS CA C 13 55.973 0.3 . 1 . . . . . 11 LYS CA . 50781 1 40 . 1 . 1 13 13 LYS CB C 13 33.107 0.3 . 1 . . . . . 11 LYS CB . 50781 1 41 . 1 . 1 13 13 LYS N N 15 120.918 0.3 . 1 . . . . . 11 LYS N . 50781 1 42 . 1 . 1 14 14 LEU H H 1 8.090 0.020 . 1 . . . . . 12 LEU H . 50781 1 43 . 1 . 1 14 14 LEU C C 13 175.058 0.3 . 1 . . . . . 12 LEU C . 50781 1 44 . 1 . 1 14 14 LEU CA C 13 55.054 0.3 . 1 . . . . . 12 LEU CA . 50781 1 45 . 1 . 1 14 14 LEU CB C 13 42.658 0.3 . 1 . . . . . 12 LEU CB . 50781 1 46 . 1 . 1 14 14 LEU N N 15 124.383 0.3 . 1 . . . . . 12 LEU N . 50781 1 47 . 1 . 1 15 15 LEU H H 1 7.776 0.020 . 1 . . . . . 13 LEU H . 50781 1 48 . 1 . 1 15 15 LEU CA C 13 53.172 0.3 . 1 . . . . . 13 LEU CA . 50781 1 49 . 1 . 1 15 15 LEU CB C 13 43.851 0.3 . 1 . . . . . 13 LEU CB . 50781 1 50 . 1 . 1 15 15 LEU N N 15 122.989 0.3 . 1 . . . . . 13 LEU N . 50781 1 51 . 1 . 1 16 16 TYR H H 1 7.518 0.020 . 1 . . . . . 14 TYR H . 50781 1 52 . 1 . 1 16 16 TYR CA C 13 55.514 0.3 . 1 . . . . . 14 TYR CA . 50781 1 53 . 1 . 1 16 16 TYR CB C 13 41.051 0.3 . 1 . . . . . 14 TYR CB . 50781 1 54 . 1 . 1 16 16 TYR N N 15 115.869 0.3 . 1 . . . . . 14 TYR N . 50781 1 55 . 1 . 1 17 17 CYS H H 1 9.077 0.020 . 1 . . . . . 15 CYS H . 50781 1 56 . 1 . 1 17 17 CYS CA C 13 61.069 0.3 . 1 . . . . . 15 CYS CA . 50781 1 57 . 1 . 1 17 17 CYS CB C 13 30.628 0.3 . 1 . . . . . 15 CYS CB . 50781 1 58 . 1 . 1 17 17 CYS N N 15 122.433 0.3 . 1 . . . . . 15 CYS N . 50781 1 59 . 1 . 1 18 18 SER H H 1 9.504 0.020 . 1 . . . . . 16 SER H . 50781 1 60 . 1 . 1 18 18 SER CA C 13 61.437 0.3 . 1 . . . . . 16 SER CA . 50781 1 61 . 1 . 1 18 18 SER CB C 13 62.539 0.3 . 1 . . . . . 16 SER CB . 50781 1 62 . 1 . 1 18 18 SER N N 15 128.386 0.3 . 1 . . . . . 16 SER N . 50781 1 63 . 1 . 1 19 19 PHE H H 1 9.848 0.020 . 1 . . . . . 17 PHE H . 50781 1 64 . 1 . 1 19 19 PHE CA C 13 61.115 0.3 . 1 . . . . . 17 PHE CA . 50781 1 65 . 1 . 1 19 19 PHE CB C 13 40.821 0.3 . 1 . . . . . 17 PHE CB . 50781 1 66 . 1 . 1 19 19 PHE N N 15 121.873 0.3 . 1 . . . . . 17 PHE N . 50781 1 67 . 1 . 1 20 20 CYS H H 1 8.611 0.020 . 1 . . . . . 18 CYS H . 50781 1 68 . 1 . 1 20 20 CYS CA C 13 58.957 0.3 . 1 . . . . . 18 CYS CA . 50781 1 69 . 1 . 1 20 20 CYS CB C 13 32.235 0.3 . 1 . . . . . 18 CYS CB . 50781 1 70 . 1 . 1 20 20 CYS N N 15 117.963 0.3 . 1 . . . . . 18 CYS N . 50781 1 71 . 1 . 1 21 21 GLY H H 1 7.532 0.020 . 1 . . . . . 19 GLY H . 50781 1 72 . 1 . 1 21 21 GLY CA C 13 46.418 0.3 . 1 . . . . . 19 GLY CA . 50781 1 73 . 1 . 1 21 21 GLY N N 15 112.043 0.3 . 1 . . . . . 19 GLY N . 50781 1 74 . 1 . 1 22 22 LYS H H 1 8.681 0.020 . 1 . . . . . 20 LYS H . 50781 1 75 . 1 . 1 22 22 LYS CA C 13 59.081 0.3 . 1 . . . . . 20 LYS CA . 50781 1 76 . 1 . 1 22 22 LYS CB C 13 34.026 0.3 . 1 . . . . . 20 LYS CB . 50781 1 77 . 1 . 1 22 22 LYS N N 15 122.901 0.3 . 1 . . . . . 20 LYS N . 50781 1 78 . 1 . 1 23 23 SER H H 1 9.019 0.020 . 1 . . . . . 21 SER H . 50781 1 79 . 1 . 1 23 23 SER CA C 13 57.258 0.3 . 1 . . . . . 21 SER CA . 50781 1 80 . 1 . 1 23 23 SER CB C 13 65.615 0.3 . 1 . . . . . 21 SER CB . 50781 1 81 . 1 . 1 23 23 SER N N 15 116.066 0.3 . 1 . . . . . 21 SER N . 50781 1 82 . 1 . 1 24 24 GLN H H 1 8.043 0.020 . 1 . . . . . 22 GLN H . 50781 1 83 . 1 . 1 24 24 GLN CA C 13 57.993 0.3 . 1 . . . . . 22 GLN CA . 50781 1 84 . 1 . 1 24 24 GLN CB C 13 29.067 0.3 . 1 . . . . . 22 GLN CB . 50781 1 85 . 1 . 1 24 24 GLN N N 15 116.853 0.3 . 1 . . . . . 22 GLN N . 50781 1 86 . 1 . 1 25 25 HIS H H 1 7.542 0.020 . 1 . . . . . 23 HIS H . 50781 1 87 . 1 . 1 25 25 HIS CA C 13 56.570 0.3 . 1 . . . . . 23 HIS CA . 50781 1 88 . 1 . 1 25 25 HIS CB C 13 30.352 0.3 . 1 . . . . . 23 HIS CB . 50781 1 89 . 1 . 1 25 25 HIS N N 15 114.415 0.3 . 1 . . . . . 23 HIS N . 50781 1 90 . 1 . 1 26 26 GLU H H 1 7.778 0.020 . 1 . . . . . 24 GLU H . 50781 1 91 . 1 . 1 26 26 GLU CA C 13 56.524 0.3 . 1 . . . . . 24 GLU CA . 50781 1 92 . 1 . 1 26 26 GLU CB C 13 32.510 0.3 . 1 . . . . . 24 GLU CB . 50781 1 93 . 1 . 1 26 26 GLU N N 15 117.616 0.3 . 1 . . . . . 24 GLU N . 50781 1 94 . 1 . 1 27 27 VAL H H 1 6.891 0.020 . 1 . . . . . 25 VAL H . 50781 1 95 . 1 . 1 27 27 VAL CA C 13 59.095 0.3 . 1 . . . . . 25 VAL CA . 50781 1 96 . 1 . 1 27 27 VAL CB C 13 33.612 0.3 . 1 . . . . . 25 VAL CB . 50781 1 97 . 1 . 1 27 27 VAL N N 15 110.712 0.3 . 1 . . . . . 25 VAL N . 50781 1 98 . 1 . 1 28 28 ARG H H 1 9.029 0.020 . 1 . . . . . 26 ARG H . 50781 1 99 . 1 . 1 28 28 ARG CA C 13 58.819 0.3 . 1 . . . . . 26 ARG CA . 50781 1 100 . 1 . 1 28 28 ARG CB C 13 30.766 0.3 . 1 . . . . . 26 ARG CB . 50781 1 101 . 1 . 1 28 28 ARG N N 15 122.271 0.3 . 1 . . . . . 26 ARG N . 50781 1 102 . 1 . 1 29 29 LYS H H 1 8.500 0.020 . 1 . . . . . 27 LYS H . 50781 1 103 . 1 . 1 29 29 LYS CA C 13 54.917 0.3 . 1 . . . . . 27 LYS CA . 50781 1 104 . 1 . 1 29 29 LYS CB C 13 36.780 0.3 . 1 . . . . . 27 LYS CB . 50781 1 105 . 1 . 1 29 29 LYS N N 15 118.947 0.3 . 1 . . . . . 27 LYS N . 50781 1 106 . 1 . 1 30 30 LEU H H 1 8.519 0.020 . 1 . . . . . 28 LEU H . 50781 1 107 . 1 . 1 30 30 LEU CA C 13 53.677 0.3 . 1 . . . . . 28 LEU CA . 50781 1 108 . 1 . 1 30 30 LEU CB C 13 44.770 0.3 . 1 . . . . . 28 LEU CB . 50781 1 109 . 1 . 1 30 30 LEU N N 15 123.822 0.3 . 1 . . . . . 28 LEU N . 50781 1 110 . 1 . 1 31 31 ILE H H 1 9.317 0.020 . 1 . . . . . 29 ILE H . 50781 1 111 . 1 . 1 31 31 ILE CA C 13 61.345 0.3 . 1 . . . . . 29 ILE CA . 50781 1 112 . 1 . 1 31 31 ILE CB C 13 37.837 0.3 . 1 . . . . . 29 ILE CB . 50781 1 113 . 1 . 1 31 31 ILE N N 15 128.398 0.3 . 1 . . . . . 29 ILE N . 50781 1 114 . 1 . 1 32 32 ALA H H 1 8.808 0.020 . 1 . . . . . 30 ALA H . 50781 1 115 . 1 . 1 32 32 ALA CA C 13 51.886 0.3 . 1 . . . . . 30 ALA CA . 50781 1 116 . 1 . 1 32 32 ALA CB C 13 21.721 0.3 . 1 . . . . . 30 ALA CB . 50781 1 117 . 1 . 1 32 32 ALA N N 15 129.351 0.3 . 1 . . . . . 30 ALA N . 50781 1 118 . 1 . 1 33 33 GLY H H 1 8.296 0.020 . 1 . . . . . 31 GLY H . 50781 1 119 . 1 . 1 33 33 GLY CA C 13 44.283 0.3 . 1 . . . . . 31 GLY CA . 50781 1 120 . 1 . 1 33 33 GLY N N 15 112.550 0.3 . 1 . . . . . 31 GLY N . 50781 1 121 . 1 . 1 34 34 PRO CA C 13 63.824 0.3 . 1 . . . . . 32 PRO CA . 50781 1 122 . 1 . 1 34 34 PRO CB C 13 29.480 0.3 . 1 . . . . . 32 PRO CB . 50781 1 123 . 1 . 1 35 35 SER H H 1 8.063 0.020 . 1 . . . . . 33 SER H . 50781 1 124 . 1 . 1 35 35 SER CA C 13 58.900 0.3 . 1 . . . . . 33 SER CA . 50781 1 125 . 1 . 1 35 35 SER CB C 13 61.804 0.3 . 1 . . . . . 33 SER CB . 50781 1 126 . 1 . 1 35 35 SER N N 15 115.186 0.3 . 1 . . . . . 33 SER N . 50781 1 127 . 1 . 1 36 36 VAL H H 1 6.316 0.020 . 1 . . . . . 34 VAL H . 50781 1 128 . 1 . 1 36 36 VAL CA C 13 59.325 0.3 . 1 . . . . . 34 VAL CA . 50781 1 129 . 1 . 1 36 36 VAL CB C 13 34.577 0.3 . 1 . . . . . 34 VAL CB . 50781 1 130 . 1 . 1 36 36 VAL N N 15 113.478 0.3 . 1 . . . . . 34 VAL N . 50781 1 131 . 1 . 1 37 37 TYR H H 1 8.592 0.020 . 1 . . . . . 35 TYR H . 50781 1 132 . 1 . 1 37 37 TYR CA C 13 57.075 0.3 . 1 . . . . . 35 TYR CA . 50781 1 133 . 1 . 1 37 37 TYR CB C 13 43.071 0.3 . 1 . . . . . 35 TYR CB . 50781 1 134 . 1 . 1 37 37 TYR N N 15 119.744 0.3 . 1 . . . . . 35 TYR N . 50781 1 135 . 1 . 1 38 38 ILE H H 1 9.469 0.020 . 1 . . . . . 36 ILE H . 50781 1 136 . 1 . 1 38 38 ILE CA C 13 60.472 0.3 . 1 . . . . . 36 ILE CA . 50781 1 137 . 1 . 1 38 38 ILE CB C 13 41.739 0.3 . 1 . . . . . 36 ILE CB . 50781 1 138 . 1 . 1 38 38 ILE N N 15 121.392 0.3 . 1 . . . . . 36 ILE N . 50781 1 139 . 1 . 1 39 39 CYS H H 1 8.916 0.020 . 1 . . . . . 37 CYS H . 50781 1 140 . 1 . 1 39 39 CYS CA C 13 56.887 0.3 . 1 . . . . . 37 CYS CA . 50781 1 141 . 1 . 1 39 39 CYS CB C 13 33.796 0.3 . 1 . . . . . 37 CYS CB . 50781 1 142 . 1 . 1 39 39 CYS N N 15 129.807 0.3 . 1 . . . . . 37 CYS N . 50781 1 143 . 1 . 1 40 40 ASP H H 1 8.899 0.020 . 1 . . . . . 38 ASP H . 50781 1 144 . 1 . 1 40 40 ASP C C 13 177.293 0.3 . 1 . . . . . 38 ASP C . 50781 1 145 . 1 . 1 40 40 ASP CA C 13 57.145 0.3 . 1 . . . . . 38 ASP CA . 50781 1 146 . 1 . 1 40 40 ASP CB C 13 41.142 0.3 . 1 . . . . . 38 ASP CB . 50781 1 147 . 1 . 1 40 40 ASP N N 15 115.412 0.3 . 1 . . . . . 38 ASP N . 50781 1 148 . 1 . 1 41 41 GLU H H 1 8.100 0.020 . 1 . . . . . 39 GLU H . 50781 1 149 . 1 . 1 41 41 GLU CA C 13 59.233 0.3 . 1 . . . . . 39 GLU CA . 50781 1 150 . 1 . 1 41 41 GLU CB C 13 28.791 0.3 . 1 . . . . . 39 GLU CB . 50781 1 151 . 1 . 1 41 41 GLU N N 15 123.038 0.3 . 1 . . . . . 39 GLU N . 50781 1 152 . 1 . 1 42 42 CYS H H 1 9.060 0.020 . 1 . . . . . 40 CYS H . 50781 1 153 . 1 . 1 42 42 CYS C C 13 178.744 0.3 . 1 . . . . . 40 CYS C . 50781 1 154 . 1 . 1 42 42 CYS CA C 13 65.508 0.3 . 1 . . . . . 40 CYS CA . 50781 1 155 . 1 . 1 42 42 CYS CB C 13 26.838 0.3 . 1 . . . . . 40 CYS CB . 50781 1 156 . 1 . 1 42 42 CYS N N 15 126.653 0.3 . 1 . . . . . 40 CYS N . 50781 1 157 . 1 . 1 43 43 VAL H H 1 8.416 0.020 . 1 . . . . . 41 VAL H . 50781 1 158 . 1 . 1 43 43 VAL C C 13 176.109 0.3 . 1 . . . . . 41 VAL C . 50781 1 159 . 1 . 1 43 43 VAL CA C 13 68.140 0.3 . 1 . . . . . 41 VAL CA . 50781 1 160 . 1 . 1 43 43 VAL CB C 13 30.949 0.3 . 1 . . . . . 41 VAL CB . 50781 1 161 . 1 . 1 43 43 VAL N N 15 122.536 0.3 . 1 . . . . . 41 VAL N . 50781 1 162 . 1 . 1 44 44 ASP H H 1 7.426 0.020 . 1 . . . . . 42 ASP H . 50781 1 163 . 1 . 1 44 44 ASP CA C 13 58.039 0.3 . 1 . . . . . 42 ASP CA . 50781 1 164 . 1 . 1 44 44 ASP CB C 13 40.178 0.3 . 1 . . . . . 42 ASP CB . 50781 1 165 . 1 . 1 44 44 ASP N N 15 119.248 0.3 . 1 . . . . . 42 ASP N . 50781 1 166 . 1 . 1 45 45 LEU H H 1 7.402 0.020 . 1 . . . . . 43 LEU H . 50781 1 167 . 1 . 1 45 45 LEU CA C 13 58.131 0.3 . 1 . . . . . 43 LEU CA . 50781 1 168 . 1 . 1 45 45 LEU CB C 13 41.556 0.3 . 1 . . . . . 43 LEU CB . 50781 1 169 . 1 . 1 45 45 LEU N N 15 119.945 0.3 . 1 . . . . . 43 LEU N . 50781 1 170 . 1 . 1 46 46 CYS H H 1 8.130 0.020 . 1 . . . . . 44 CYS H . 50781 1 171 . 1 . 1 46 46 CYS CA C 13 64.375 0.3 . 1 . . . . . 44 CYS CA . 50781 1 172 . 1 . 1 46 46 CYS CB C 13 26.725 0.3 . 1 . . . . . 44 CYS CB . 50781 1 173 . 1 . 1 46 46 CYS N N 15 117.575 0.3 . 1 . . . . . 44 CYS N . 50781 1 174 . 1 . 1 47 47 ASN H H 1 8.385 0.020 . 1 . . . . . 45 ASN H . 50781 1 175 . 1 . 1 47 47 ASN CA C 13 56.294 0.3 . 1 . . . . . 45 ASN CA . 50781 1 176 . 1 . 1 47 47 ASN CB C 13 37.745 0.3 . 1 . . . . . 45 ASN CB . 50781 1 177 . 1 . 1 47 47 ASN N N 15 118.391 0.3 . 1 . . . . . 45 ASN N . 50781 1 178 . 1 . 1 48 48 ASP H H 1 7.704 0.020 . 1 . . . . . 46 ASP H . 50781 1 179 . 1 . 1 48 48 ASP CA C 13 57.672 0.3 . 1 . . . . . 46 ASP CA . 50781 1 180 . 1 . 1 48 48 ASP CB C 13 40.224 0.3 . 1 . . . . . 46 ASP CB . 50781 1 181 . 1 . 1 48 48 ASP N N 15 120.737 0.3 . 1 . . . . . 46 ASP N . 50781 1 182 . 1 . 1 49 49 ILE H H 1 7.736 0.020 . 1 . . . . . 47 ILE H . 50781 1 183 . 1 . 1 49 49 ILE CA C 13 64.926 0.3 . 1 . . . . . 47 ILE CA . 50781 1 184 . 1 . 1 49 49 ILE CB C 13 38.479 0.3 . 1 . . . . . 47 ILE CB . 50781 1 185 . 1 . 1 49 49 ILE N N 15 120.678 0.3 . 1 . . . . . 47 ILE N . 50781 1 186 . 1 . 1 50 50 ILE H H 1 8.241 0.020 . 1 . . . . . 48 ILE H . 50781 1 187 . 1 . 1 50 50 ILE CA C 13 64.926 0.3 . 1 . . . . . 48 ILE CA . 50781 1 188 . 1 . 1 50 50 ILE CB C 13 38.066 0.3 . 1 . . . . . 48 ILE CB . 50781 1 189 . 1 . 1 50 50 ILE N N 15 119.598 0.3 . 1 . . . . . 48 ILE N . 50781 1 190 . 1 . 1 51 51 ARG H H 1 7.875 0.020 . 1 . . . . . 49 ARG H . 50781 1 191 . 1 . 1 51 51 ARG CA C 13 58.085 0.3 . 1 . . . . . 49 ARG CA . 50781 1 192 . 1 . 1 51 51 ARG CB C 13 30.169 0.3 . 1 . . . . . 49 ARG CB . 50781 1 193 . 1 . 1 51 51 ARG N N 15 118.567 0.3 . 1 . . . . . 49 ARG N . 50781 1 194 . 1 . 1 52 52 GLU H H 1 7.572 0.020 . 1 . . . . . 50 GLU H . 50781 1 195 . 1 . 1 52 52 GLU CA C 13 57.488 0.3 . 1 . . . . . 50 GLU CA . 50781 1 196 . 1 . 1 52 52 GLU CB C 13 29.756 0.3 . 1 . . . . . 50 GLU CB . 50781 1 197 . 1 . 1 52 52 GLU N N 15 118.118 0.3 . 1 . . . . . 50 GLU N . 50781 1 198 . 1 . 1 53 53 GLU H H 1 7.961 0.020 . 1 . . . . . 51 GLU H . 50781 1 199 . 1 . 1 53 53 GLU CA C 13 57.029 0.3 . 1 . . . . . 51 GLU CA . 50781 1 200 . 1 . 1 53 53 GLU CB C 13 30.215 0.3 . 1 . . . . . 51 GLU CB . 50781 1 201 . 1 . 1 53 53 GLU N N 15 119.674 0.3 . 1 . . . . . 51 GLU N . 50781 1 202 . 1 . 1 54 54 ILE H H 1 8.020 0.020 . 1 . . . . . 52 ILE H . 50781 1 203 . 1 . 1 54 54 ILE CA C 13 61.161 0.3 . 1 . . . . . 52 ILE CA . 50781 1 204 . 1 . 1 54 54 ILE CB C 13 37.974 0.3 . 1 . . . . . 52 ILE CB . 50781 1 205 . 1 . 1 54 54 ILE N N 15 121.257 0.3 . 1 . . . . . 52 ILE N . 50781 1 206 . 1 . 1 55 55 LYS H H 1 8.153 0.020 . 1 . . . . . 53 LYS H . 50781 1 207 . 1 . 1 55 55 LYS CA C 13 55.973 0.3 . 1 . . . . . 53 LYS CA . 50781 1 208 . 1 . 1 55 55 LYS CB C 13 33.107 0.3 . 1 . . . . . 53 LYS CB . 50781 1 209 . 1 . 1 55 55 LYS N N 15 125.455 0.3 . 1 . . . . . 53 LYS N . 50781 1 210 . 1 . 1 56 56 GLU H H 1 8.336 0.020 . 1 . . . . . 54 GLU H . 50781 1 211 . 1 . 1 56 56 GLU CA C 13 56.524 0.3 . 1 . . . . . 54 GLU CA . 50781 1 212 . 1 . 1 56 56 GLU CB C 13 30.215 0.3 . 1 . . . . . 54 GLU CB . 50781 1 213 . 1 . 1 56 56 GLU N N 15 122.931 0.3 . 1 . . . . . 54 GLU N . 50781 1 214 . 1 . 1 57 57 VAL H H 1 7.670 0.020 . 1 . . . . . 55 VAL H . 50781 1 215 . 1 . 1 57 57 VAL CA C 13 63.550 0.3 . 1 . . . . . 55 VAL CA . 50781 1 216 . 1 . 1 57 57 VAL CB C 13 33.161 0.3 . 1 . . . . . 55 VAL CB . 50781 1 217 . 1 . 1 57 57 VAL N N 15 125.000 0.3 . 1 . . . . . 55 VAL N . 50781 1 stop_ save_