################################### # 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 50539 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BarstarK60_CS _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' . . . 50539 1 2 '3D HNCA' . . . 50539 1 3 '3D HNCACB' . . . 50539 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 . . 50539 1 2 $software_3 . . 50539 1 3 $software_2 . . 50539 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 GLY H H 1 8.52 0.02 . 1 . . . . . 0 GLY H . 50539 1 2 . 1 . 1 3 3 GLY CA C 13 44.9 0.2 . 1 . . . . . 0 GLY CA . 50539 1 3 . 1 . 1 3 3 GLY N N 15 109.3 0.2 . 1 . . . . . 0 GLY N . 50539 1 4 . 1 . 1 4 4 ARG H H 1 8.20 0.02 . 1 . . . . . 1 ARG H . 50539 1 5 . 1 . 1 4 4 ARG CA C 13 55.3 0.2 . 1 . . . . . 1 ARG CA . 50539 1 6 . 1 . 1 4 4 ARG N N 15 120.6 0.2 . 1 . . . . . 1 ARG N . 50539 1 7 . 1 . 1 5 5 ARG H H 1 8.64 0.02 . 1 . . . . . 2 ARG H . 50539 1 8 . 1 . 1 5 5 ARG CA C 13 54.5 0.2 . 1 . . . . . 2 ARG CA . 50539 1 9 . 1 . 1 5 5 ARG N N 15 125.8 . . 1 . . . . . 2 ARG N . 50539 1 10 . 1 . 1 6 6 ALA H H 1 9.21 0.02 . 1 . . . . . 3 ALA H . 50539 1 11 . 1 . 1 6 6 ALA CA C 13 50.0 0.2 . 1 . . . . . 3 ALA CA . 50539 1 12 . 1 . 1 6 6 ALA CB C 13 21.8 0.2 . 1 . . . . . 3 ALA CB . 50539 1 13 . 1 . 1 6 6 ALA N N 15 130.4 0.2 . 1 . . . . . 3 ALA N . 50539 1 14 . 1 . 1 7 7 VAL H H 1 8.97 0.02 . 1 . . . . . 4 VAL H . 50539 1 15 . 1 . 1 7 7 VAL CA C 13 61.0 0.2 . 1 . . . . . 4 VAL CA . 50539 1 16 . 1 . 1 7 7 VAL CB C 13 33.9 0.2 . 1 . . . . . 4 VAL CB . 50539 1 17 . 1 . 1 7 7 VAL N N 15 123.9 0.2 . 1 . . . . . 4 VAL N . 50539 1 18 . 1 . 1 8 8 ILE H H 1 8.87 0.02 . 1 . . . . . 5 ILE H . 50539 1 19 . 1 . 1 8 8 ILE CA C 13 59.0 0.2 . 1 . . . . . 5 ILE CA . 50539 1 20 . 1 . 1 8 8 ILE CB C 13 39.4 0.2 . 1 . . . . . 5 ILE CB . 50539 1 21 . 1 . 1 8 8 ILE N N 15 125.5 0.2 . 1 . . . . . 5 ILE N . 50539 1 22 . 1 . 1 9 9 ASN H H 1 8.88 0.02 . 1 . . . . . 6 ASN H . 50539 1 23 . 1 . 1 9 9 ASN CA C 13 52.6 0.2 . 1 . . . . . 6 ASN CA . 50539 1 24 . 1 . 1 9 9 ASN CB C 13 37.5 0.2 . 1 . . . . . 6 ASN CB . 50539 1 25 . 1 . 1 9 9 ASN N N 15 126.3 . . 1 . . . . . 6 ASN N . 50539 1 26 . 1 . 1 10 10 GLY H H 1 8.46 0.02 . 1 . . . . . 7 GLY H . 50539 1 27 . 1 . 1 10 10 GLY CA C 13 48.2 0.2 . 1 . . . . . 7 GLY CA . 50539 1 28 . 1 . 1 10 10 GLY N N 15 113.3 0.2 . 1 . . . . . 7 GLY N . 50539 1 29 . 1 . 1 11 11 GLU H H 1 9.83 0.02 . 1 . . . . . 8 GLU H . 50539 1 30 . 1 . 1 11 11 GLU CA C 13 57.5 0.2 . 1 . . . . . 8 GLU CA . 50539 1 31 . 1 . 1 11 11 GLU CB C 13 28.1 0.2 . 1 . . . . . 8 GLU CB . 50539 1 32 . 1 . 1 11 11 GLU N N 15 120.6 0.2 . 1 . . . . . 8 GLU N . 50539 1 33 . 1 . 1 12 12 GLN H H 1 7.98 0.02 . 1 . . . . . 9 GLN H . 50539 1 34 . 1 . 1 12 12 GLN CA C 13 55.1 0.2 . 1 . . . . . 9 GLN CA . 50539 1 35 . 1 . 1 12 12 GLN CB C 13 28.6 0.2 . 1 . . . . . 9 GLN CB . 50539 1 36 . 1 . 1 12 12 GLN N N 15 117.2 . . 1 . . . . . 9 GLN N . 50539 1 37 . 1 . 1 13 13 ILE H H 1 7.07 0.02 . 1 . . . . . 10 ILE H . 50539 1 38 . 1 . 1 13 13 ILE CA C 13 58.7 0.2 . 1 . . . . . 10 ILE CA . 50539 1 39 . 1 . 1 13 13 ILE CB C 13 36.3 0.2 . 1 . . . . . 10 ILE CB . 50539 1 40 . 1 . 1 13 13 ILE N N 15 120.2 0.2 . 1 . . . . . 10 ILE N . 50539 1 41 . 1 . 1 14 14 ARG H H 1 9.21 0.02 . 1 . . . . . 11 ARG H . 50539 1 42 . 1 . 1 14 14 ARG CA C 13 55.7 0.2 . 1 . . . . . 11 ARG CA . 50539 1 43 . 1 . 1 14 14 ARG CB C 13 30.6 0.2 . 1 . . . . . 11 ARG CB . 50539 1 44 . 1 . 1 14 14 ARG N N 15 123.5 . . 1 . . . . . 11 ARG N . 50539 1 45 . 1 . 1 15 15 SER H H 1 7.69 0.02 . 1 . . . . . 12 SER H . 50539 1 46 . 1 . 1 15 15 SER CA C 13 56.8 0.2 . 1 . . . . . 12 SER CA . 50539 1 47 . 1 . 1 15 15 SER CB C 13 65.7 0.2 . 1 . . . . . 12 SER CB . 50539 1 48 . 1 . 1 15 15 SER N N 15 109.8 0.2 . 1 . . . . . 12 SER N . 50539 1 49 . 1 . 1 16 16 ILE H H 1 9.47 0.02 . 1 . . . . . 13 ILE H . 50539 1 50 . 1 . 1 16 16 ILE CA C 13 62.3 0.2 . 1 . . . . . 13 ILE CA . 50539 1 51 . 1 . 1 16 16 ILE CB C 13 37.9 0.2 . 1 . . . . . 13 ILE CB . 50539 1 52 . 1 . 1 16 16 ILE N N 15 122.2 0.2 . 1 . . . . . 13 ILE N . 50539 1 53 . 1 . 1 17 17 SER H H 1 8.18 0.02 . 1 . . . . . 14 SER H . 50539 1 54 . 1 . 1 17 17 SER N N 15 118.2 . . 1 . . . . . 14 SER N . 50539 1 55 . 1 . 1 18 18 ASP H H 1 8.00 0.02 . 1 . . . . . 15 ASP H . 50539 1 56 . 1 . 1 18 18 ASP CA C 13 57.3 0.2 . 1 . . . . . 15 ASP CA . 50539 1 57 . 1 . 1 18 18 ASP CB C 13 41.6 0.2 . 1 . . . . . 15 ASP CB . 50539 1 58 . 1 . 1 18 18 ASP N N 15 121.4 . . 1 . . . . . 15 ASP N . 50539 1 59 . 1 . 1 19 19 LEU H H 1 7.79 0.02 . 1 . . . . . 16 LEU H . 50539 1 60 . 1 . 1 19 19 LEU CA C 13 58.3 0.2 . 1 . . . . . 16 LEU CA . 50539 1 61 . 1 . 1 19 19 LEU CB C 13 40.9 0.2 . 1 . . . . . 16 LEU CB . 50539 1 62 . 1 . 1 19 19 LEU N N 15 122.0 . . 1 . . . . . 16 LEU N . 50539 1 63 . 1 . 1 20 20 HIS H H 1 8.19 0.02 . 1 . . . . . 17 HIS H . 50539 1 64 . 1 . 1 20 20 HIS CA C 13 62.0 0.2 . 1 . . . . . 17 HIS CA . 50539 1 65 . 1 . 1 20 20 HIS CB C 13 31.3 0.2 . 1 . . . . . 17 HIS CB . 50539 1 66 . 1 . 1 20 20 HIS N N 15 118.3 . . 1 . . . . . 17 HIS N . 50539 1 67 . 1 . 1 21 21 GLN H H 1 8.72 0.02 . 1 . . . . . 18 GLN H . 50539 1 68 . 1 . 1 21 21 GLN CA C 13 59.5 0.2 . 1 . . . . . 18 GLN CA . 50539 1 69 . 1 . 1 21 21 GLN CB C 13 27.8 0.2 . 1 . . . . . 18 GLN CB . 50539 1 70 . 1 . 1 21 21 GLN N N 15 119.5 . . 1 . . . . . 18 GLN N . 50539 1 71 . 1 . 1 22 22 THR H H 1 8.24 0.02 . 1 . . . . . 19 THR H . 50539 1 72 . 1 . 1 22 22 THR CB C 13 68.4 0.2 . 1 . . . . . 19 THR CB . 50539 1 73 . 1 . 1 22 22 THR N N 15 118.5 0.2 . 1 . . . . . 19 THR N . 50539 1 74 . 1 . 1 23 23 LEU H H 1 8.41 0.02 . 1 . . . . . 20 LEU H . 50539 1 75 . 1 . 1 23 23 LEU CA C 13 58.4 0.2 . 1 . . . . . 20 LEU CA . 50539 1 76 . 1 . 1 23 23 LEU CB C 13 41.2 0.2 . 1 . . . . . 20 LEU CB . 50539 1 77 . 1 . 1 23 23 LEU N N 15 121.2 0.2 . 1 . . . . . 20 LEU N . 50539 1 78 . 1 . 1 24 24 ARG H H 1 8.24 0.02 . 1 . . . . . 21 ARG H . 50539 1 79 . 1 . 1 24 24 ARG CA C 13 60.1 0.2 . 1 . . . . . 21 ARG CA . 50539 1 80 . 1 . 1 24 24 ARG CB C 13 29.5 0.2 . 1 . . . . . 21 ARG CB . 50539 1 81 . 1 . 1 24 24 ARG N N 15 118.1 0.2 . 1 . . . . . 21 ARG N . 50539 1 82 . 1 . 1 25 25 ARG H H 1 7.38 0.02 . 1 . . . . . 22 ARG H . 50539 1 83 . 1 . 1 25 25 ARG CA C 13 59.1 0.2 . 1 . . . . . 22 ARG CA . 50539 1 84 . 1 . 1 25 25 ARG CB C 13 30.5 0.2 . 1 . . . . . 22 ARG CB . 50539 1 85 . 1 . 1 25 25 ARG N N 15 116.9 0.2 . 1 . . . . . 22 ARG N . 50539 1 86 . 1 . 1 26 26 GLU H H 1 8.98 0.02 . 1 . . . . . 23 GLU H . 50539 1 87 . 1 . 1 26 26 GLU CA C 13 58.6 0.2 . 1 . . . . . 23 GLU CA . 50539 1 88 . 1 . 1 26 26 GLU N N 15 117.5 0.2 . 1 . . . . . 23 GLU N . 50539 1 89 . 1 . 1 27 27 LEU H H 1 8.29 0.02 . 1 . . . . . 24 LEU H . 50539 1 90 . 1 . 1 27 27 LEU CA C 13 54.3 0.2 . 1 . . . . . 24 LEU CA . 50539 1 91 . 1 . 1 27 27 LEU CB C 13 40.6 0.2 . 1 . . . . . 24 LEU CB . 50539 1 92 . 1 . 1 27 27 LEU N N 15 114.6 0.2 . 1 . . . . . 24 LEU N . 50539 1 93 . 1 . 1 28 28 ALA H H 1 7.46 0.02 . 1 . . . . . 25 ALA H . 50539 1 94 . 1 . 1 28 28 ALA CA C 13 52.5 0.2 . 1 . . . . . 25 ALA CA . 50539 1 95 . 1 . 1 28 28 ALA CB C 13 16.3 0.2 . 1 . . . . . 25 ALA CB . 50539 1 96 . 1 . 1 28 28 ALA N N 15 121.7 0.2 . 1 . . . . . 25 ALA N . 50539 1 97 . 1 . 1 29 29 LEU H H 1 7.95 0.02 . 1 . . . . . 26 LEU H . 50539 1 98 . 1 . 1 29 29 LEU CA C 13 53.0 0.2 . 1 . . . . . 26 LEU CA . 50539 1 99 . 1 . 1 29 29 LEU CB C 13 39.9 0.2 . 1 . . . . . 26 LEU CB . 50539 1 100 . 1 . 1 29 29 LEU N N 15 115.9 0.2 . 1 . . . . . 26 LEU N . 50539 1 101 . 1 . 1 31 31 GLU H H 1 8.62 0.02 . 1 . . . . . 28 GLU H . 50539 1 102 . 1 . 1 31 31 GLU CA C 13 58.8 0.2 . 1 . . . . . 28 GLU CA . 50539 1 103 . 1 . 1 31 31 GLU CB C 13 29.3 0.2 . 1 . . . . . 28 GLU CB . 50539 1 104 . 1 . 1 31 31 GLU N N 15 119.0 0.2 . 1 . . . . . 28 GLU N . 50539 1 105 . 1 . 1 33 33 TYR H H 1 7.31 0.02 . 1 . . . . . 30 TYR H . 50539 1 106 . 1 . 1 33 33 TYR CA C 13 58.5 0.2 . 1 . . . . . 30 TYR CA . 50539 1 107 . 1 . 1 33 33 TYR CB C 13 38.5 0.2 . 1 . . . . . 30 TYR CB . 50539 1 108 . 1 . 1 33 33 TYR N N 15 122.9 0.2 . 1 . . . . . 30 TYR N . 50539 1 109 . 1 . 1 34 34 GLY H H 1 8.02 0.02 . 9 . . . . . 31 GLY H . 50539 1 110 . 1 . 1 34 34 GLY CA C 13 45.3 0.2 . 9 . . . . . 31 GLY CA . 50539 1 111 . 1 . 1 34 34 GLY N N 15 113.0 0.2 . 9 . . . . . 31 GLY N . 50539 1 112 . 1 . 1 37 37 LEU H H 1 8.67 0.02 . 1 . . . . . 34 LEU H . 50539 1 113 . 1 . 1 37 37 LEU CA C 13 58.6 0.2 . 1 . . . . . 34 LEU CA . 50539 1 114 . 1 . 1 37 37 LEU CB C 13 40.8 0.2 . 1 . . . . . 34 LEU CB . 50539 1 115 . 1 . 1 37 37 LEU N N 15 118.9 . . 1 . . . . . 34 LEU N . 50539 1 116 . 1 . 1 38 38 ASP H H 1 8.25 0.02 . 1 . . . . . 35 ASP H . 50539 1 117 . 1 . 1 38 38 ASP CA C 13 57.5 0.2 . 1 . . . . . 35 ASP CA . 50539 1 118 . 1 . 1 38 38 ASP CB C 13 40.1 0.2 . 1 . . . . . 35 ASP CB . 50539 1 119 . 1 . 1 38 38 ASP N N 15 121.6 0.2 . 1 . . . . . 35 ASP N . 50539 1 120 . 1 . 1 39 39 ALA H H 1 8.39 0.02 . 1 . . . . . 36 ALA H . 50539 1 121 . 1 . 1 39 39 ALA CA C 13 54.2 0.2 . 1 . . . . . 36 ALA CA . 50539 1 122 . 1 . 1 39 39 ALA CB C 13 19.1 0.2 . 1 . . . . . 36 ALA CB . 50539 1 123 . 1 . 1 39 39 ALA N N 15 122.8 0.2 . 1 . . . . . 36 ALA N . 50539 1 124 . 1 . 1 42 42 ASP H H 1 8.33 0.02 . 1 . . . . . 39 ASP H . 50539 1 125 . 1 . 1 42 42 ASP CA C 13 57.3 0.2 . 1 . . . . . 39 ASP CA . 50539 1 126 . 1 . 1 42 42 ASP CB C 13 40.4 0.2 . 1 . . . . . 39 ASP CB . 50539 1 127 . 1 . 1 42 42 ASP N N 15 120.0 0.2 . 1 . . . . . 39 ASP N . 50539 1 128 . 1 . 1 43 43 ALA H H 1 8.27 0.02 . 1 . . . . . 40 ALA H . 50539 1 129 . 1 . 1 43 43 ALA CA C 13 54.3 0.2 . 1 . . . . . 40 ALA CA . 50539 1 130 . 1 . 1 43 43 ALA CB C 13 18.1 0.2 . 1 . . . . . 40 ALA CB . 50539 1 131 . 1 . 1 43 43 ALA N N 15 122.0 0.2 . 1 . . . . . 40 ALA N . 50539 1 132 . 1 . 1 44 44 LEU H H 1 8.69 0.02 . 1 . . . . . 41 LEU H . 50539 1 133 . 1 . 1 44 44 LEU CA C 13 57.2 0.2 . 1 . . . . . 41 LEU CA . 50539 1 134 . 1 . 1 44 44 LEU CB C 13 40.6 0.2 . 1 . . . . . 41 LEU CB . 50539 1 135 . 1 . 1 44 44 LEU N N 15 117.9 . . 1 . . . . . 41 LEU N . 50539 1 136 . 1 . 1 45 45 THR H H 1 7.83 0.02 . 1 . . . . . 42 THR H . 50539 1 137 . 1 . 1 45 45 THR CA C 13 62.8 0.2 . 1 . . . . . 42 THR CA . 50539 1 138 . 1 . 1 45 45 THR CB C 13 70.0 0.2 . 1 . . . . . 42 THR CB . 50539 1 139 . 1 . 1 45 45 THR N N 15 108.1 0.2 . 1 . . . . . 42 THR N . 50539 1 140 . 1 . 1 46 46 GLY H H 1 7.72 0.02 . 1 . . . . . 43 GLY H . 50539 1 141 . 1 . 1 46 46 GLY CA C 13 46.1 0.2 . 1 . . . . . 43 GLY CA . 50539 1 142 . 1 . 1 46 46 GLY N N 15 109.3 0.2 . 1 . . . . . 43 GLY N . 50539 1 143 . 1 . 1 48 48 VAL H H 1 7.96 0.02 . 9 . . . . . 45 VAL H . 50539 1 144 . 1 . 1 48 48 VAL CA C 13 63.3 0.2 . 9 . . . . . 45 VAL CA . 50539 1 145 . 1 . 1 48 48 VAL CB C 13 33.2 0.2 . 9 . . . . . 45 VAL CB . 50539 1 146 . 1 . 1 48 48 VAL N N 15 118.8 0.2 . 9 . . . . . 45 VAL N . 50539 1 147 . 1 . 1 52 52 LEU H H 1 8.82 0.02 . 1 . . . . . 49 LEU H . 50539 1 148 . 1 . 1 52 52 LEU CA C 13 53.6 0.2 . 1 . . . . . 49 LEU CA . 50539 1 149 . 1 . 1 52 52 LEU CB C 13 46.8 0.2 . 1 . . . . . 49 LEU CB . 50539 1 150 . 1 . 1 52 52 LEU N N 15 123.0 0.2 . 1 . . . . . 49 LEU N . 50539 1 151 . 1 . 1 53 53 VAL H H 1 8.80 0.02 . 1 . . . . . 50 VAL H . 50539 1 152 . 1 . 1 53 53 VAL CA C 13 61.5 0.2 . 1 . . . . . 50 VAL CA . 50539 1 153 . 1 . 1 53 53 VAL CB C 13 33.5 0.2 . 1 . . . . . 50 VAL CB . 50539 1 154 . 1 . 1 53 53 VAL N N 15 129.0 0.2 . 1 . . . . . 50 VAL N . 50539 1 155 . 1 . 1 54 54 LEU H H 1 9.17 0.02 . 1 . . . . . 51 LEU H . 50539 1 156 . 1 . 1 54 54 LEU CA C 13 52.7 0.2 . 1 . . . . . 51 LEU CA . 50539 1 157 . 1 . 1 54 54 LEU CB C 13 44.1 0.2 . 1 . . . . . 51 LEU CB . 50539 1 158 . 1 . 1 54 54 LEU N N 15 130.0 0.2 . 1 . . . . . 51 LEU N . 50539 1 159 . 1 . 1 55 55 GLU H H 1 9.19 0.02 . 1 . . . . . 52 GLU H . 50539 1 160 . 1 . 1 55 55 GLU CA C 13 54.4 0.2 . 1 . . . . . 52 GLU CA . 50539 1 161 . 1 . 1 55 55 GLU CB C 13 30.8 0.2 . 1 . . . . . 52 GLU CB . 50539 1 162 . 1 . 1 55 55 GLU N N 15 129.0 0.2 . 1 . . . . . 52 GLU N . 50539 1 163 . 1 . 1 57 57 ARG H H 1 8.45 0.02 . 9 . . . . . 54 ARG H . 50539 1 164 . 1 . 1 57 57 ARG CA C 13 55.2 0.2 . 9 . . . . . 54 ARG CA . 50539 1 165 . 1 . 1 57 57 ARG CB C 13 31.8 0.2 . 9 . . . . . 54 ARG CB . 50539 1 166 . 1 . 1 57 57 ARG N N 15 125.0 0.2 . 9 . . . . . 54 ARG N . 50539 1 167 . 1 . 1 58 58 GLN H H 1 8.76 0.02 . 9 . . . . . 55 GLN H . 50539 1 168 . 1 . 1 58 58 GLN CA C 13 56.9 0.2 . 9 . . . . . 55 GLN CA . 50539 1 169 . 1 . 1 58 58 GLN CB C 13 25.3 0.2 . 9 . . . . . 55 GLN CB . 50539 1 170 . 1 . 1 58 58 GLN N N 15 117.8 0.2 . 9 . . . . . 55 GLN N . 50539 1 171 . 1 . 1 60 60 GLU H H 1 9.21 0.02 . 1 . . . . . 57 GLU H . 50539 1 172 . 1 . 1 60 60 GLU CA C 13 59.6 0.2 . 1 . . . . . 57 GLU CA . 50539 1 173 . 1 . 1 60 60 GLU CB C 13 28.1 0.2 . 1 . . . . . 57 GLU CB . 50539 1 174 . 1 . 1 60 60 GLU N N 15 118.2 0.2 . 1 . . . . . 57 GLU N . 50539 1 175 . 1 . 1 61 61 GLN H H 1 7.73 0.02 . 9 . . . . . 58 GLN H . 50539 1 176 . 1 . 1 61 61 GLN CA C 13 58.6 0.2 . 9 . . . . . 58 GLN CA . 50539 1 177 . 1 . 1 61 61 GLN N N 15 118.6 0.2 . 9 . . . . . 58 GLN N . 50539 1 178 . 1 . 1 64 64 GLN H H 1 7.73 0.02 . 1 . . . . . 61 GLN H . 50539 1 179 . 1 . 1 64 64 GLN CA C 13 58.7 0.2 . 1 . . . . . 61 GLN CA . 50539 1 180 . 1 . 1 64 64 GLN CB C 13 28.1 0.2 . 1 . . . . . 61 GLN CB . 50539 1 181 . 1 . 1 64 64 GLN N N 15 118.6 0.2 . 1 . . . . . 61 GLN N . 50539 1 182 . 1 . 1 65 65 LEU H H 1 8.12 0.02 . 1 . . . . . 62 LEU H . 50539 1 183 . 1 . 1 65 65 LEU CA C 13 56.5 0.2 . 1 . . . . . 62 LEU CA . 50539 1 184 . 1 . 1 65 65 LEU CB C 13 41.9 0.2 . 1 . . . . . 62 LEU CB . 50539 1 185 . 1 . 1 65 65 LEU N N 15 119.4 0.2 . 1 . . . . . 62 LEU N . 50539 1 186 . 1 . 1 66 66 THR H H 1 7.37 0.02 . 1 . . . . . 63 THR H . 50539 1 187 . 1 . 1 66 66 THR CA C 13 60.9 0.2 . 1 . . . . . 63 THR CA . 50539 1 188 . 1 . 1 66 66 THR N N 15 104.6 0.2 . 1 . . . . . 63 THR N . 50539 1 189 . 1 . 1 67 67 GLU H H 1 8.35 0.02 . 1 . . . . . 64 GLU H . 50539 1 190 . 1 . 1 67 67 GLU CA C 13 58.3 0.2 . 1 . . . . . 64 GLU CA . 50539 1 191 . 1 . 1 67 67 GLU CB C 13 26.9 0.2 . 1 . . . . . 64 GLU CB . 50539 1 192 . 1 . 1 67 67 GLU N N 15 123.8 0.2 . 1 . . . . . 64 GLU N . 50539 1 193 . 1 . 1 68 68 ASN H H 1 8.90 0.02 . 1 . . . . . 65 ASN H . 50539 1 194 . 1 . 1 68 68 ASN CA C 13 55.5 0.2 . 1 . . . . . 65 ASN CA . 50539 1 195 . 1 . 1 68 68 ASN CB C 13 38.0 0.2 . 1 . . . . . 65 ASN CB . 50539 1 196 . 1 . 1 68 68 ASN N N 15 111.4 0.2 . 1 . . . . . 65 ASN N . 50539 1 197 . 1 . 1 69 69 GLY H H 1 8.72 0.02 . 1 . . . . . 66 GLY H . 50539 1 198 . 1 . 1 69 69 GLY CA C 13 47.6 0.2 . 1 . . . . . 66 GLY CA . 50539 1 199 . 1 . 1 69 69 GLY N N 15 112.0 0.2 . 1 . . . . . 66 GLY N . 50539 1 200 . 1 . 1 70 70 ALA H H 1 8.38 0.02 . 1 . . . . . 67 ALA H . 50539 1 201 . 1 . 1 70 70 ALA CA C 13 55.3 0.2 . 1 . . . . . 67 ALA CA . 50539 1 202 . 1 . 1 70 70 ALA CB C 13 19.0 0.2 . 1 . . . . . 67 ALA CB . 50539 1 203 . 1 . 1 70 70 ALA N N 15 119.9 0.2 . 1 . . . . . 67 ALA N . 50539 1 204 . 1 . 1 72 72 SER H H 1 7.69 0.02 . 1 . . . . . 69 SER H . 50539 1 205 . 1 . 1 72 72 SER CA C 13 61.7 0.2 . 1 . . . . . 69 SER CA . 50539 1 206 . 1 . 1 72 72 SER N N 15 115.0 0.2 . 1 . . . . . 69 SER N . 50539 1 207 . 1 . 1 73 73 VAL H H 1 7.50 0.02 . 1 . . . . . 70 VAL H . 50539 1 208 . 1 . 1 73 73 VAL CA C 13 66.7 0.2 . 1 . . . . . 70 VAL CA . 50539 1 209 . 1 . 1 73 73 VAL CB C 13 31.6 0.2 . 1 . . . . . 70 VAL CB . 50539 1 210 . 1 . 1 73 73 VAL N N 15 121.6 0.2 . 1 . . . . . 70 VAL N . 50539 1 211 . 1 . 1 74 74 LEU H H 1 8.35 0.02 . 1 . . . . . 71 LEU H . 50539 1 212 . 1 . 1 74 74 LEU CA C 13 58.5 0.2 . 1 . . . . . 71 LEU CA . 50539 1 213 . 1 . 1 74 74 LEU CB C 13 40.6 0.2 . 1 . . . . . 71 LEU CB . 50539 1 214 . 1 . 1 74 74 LEU N N 15 120.4 0.2 . 1 . . . . . 71 LEU N . 50539 1 215 . 1 . 1 75 75 GLN H H 1 8.39 0.02 . 1 . . . . . 72 GLN H . 50539 1 216 . 1 . 1 75 75 GLN CA C 13 58.8 0.2 . 1 . . . . . 72 GLN CA . 50539 1 217 . 1 . 1 75 75 GLN CB C 13 27.4 0.2 . 1 . . . . . 72 GLN CB . 50539 1 218 . 1 . 1 75 75 GLN N N 15 117.1 0.2 . 1 . . . . . 72 GLN N . 50539 1 219 . 1 . 1 76 76 VAL H H 1 7.56 0.02 . 1 . . . . . 73 VAL H . 50539 1 220 . 1 . 1 76 76 VAL CA C 13 67.0 0.2 . 1 . . . . . 73 VAL CA . 50539 1 221 . 1 . 1 76 76 VAL CB C 13 31.2 0.2 . 1 . . . . . 73 VAL CB . 50539 1 222 . 1 . 1 76 76 VAL N N 15 119.4 0.2 . 1 . . . . . 73 VAL N . 50539 1 223 . 1 . 1 77 77 PHE H H 1 7.55 0.02 . 1 . . . . . 74 PHE H . 50539 1 224 . 1 . 1 77 77 PHE CA C 13 62.8 0.2 . 1 . . . . . 74 PHE CA . 50539 1 225 . 1 . 1 77 77 PHE CB C 13 39.3 0.2 . 1 . . . . . 74 PHE CB . 50539 1 226 . 1 . 1 77 77 PHE N N 15 116.3 0.2 . 1 . . . . . 74 PHE N . 50539 1 227 . 1 . 1 78 78 ARG H H 1 8.42 0.02 . 1 . . . . . 75 ARG H . 50539 1 228 . 1 . 1 78 78 ARG CA C 13 60.6 0.2 . 1 . . . . . 75 ARG CA . 50539 1 229 . 1 . 1 78 78 ARG CB C 13 29.7 0.2 . 1 . . . . . 75 ARG CB . 50539 1 230 . 1 . 1 78 78 ARG N N 15 117.8 0.2 . 1 . . . . . 75 ARG N . 50539 1 231 . 1 . 1 79 79 GLU H H 1 8.96 0.02 . 1 . . . . . 76 GLU H . 50539 1 232 . 1 . 1 79 79 GLU CA C 13 59.1 0.2 . 1 . . . . . 76 GLU CA . 50539 1 233 . 1 . 1 79 79 GLU CB C 13 28.7 0.2 . 1 . . . . . 76 GLU CB . 50539 1 234 . 1 . 1 79 79 GLU N N 15 122.6 0.2 . 1 . . . . . 76 GLU N . 50539 1 235 . 1 . 1 80 80 ALA H H 1 8.68 0.02 . 1 . . . . . 77 ALA H . 50539 1 236 . 1 . 1 80 80 ALA CA C 13 55.6 0.2 . 1 . . . . . 77 ALA CA . 50539 1 237 . 1 . 1 80 80 ALA CB C 13 17.5 0.2 . 1 . . . . . 77 ALA CB . 50539 1 238 . 1 . 1 80 80 ALA N N 15 124.4 0.2 . 1 . . . . . 77 ALA N . 50539 1 239 . 1 . 1 82 82 ALA H H 1 8.12 0.02 . 1 . . . . . 79 ALA H . 50539 1 240 . 1 . 1 82 82 ALA CA C 13 54.8 0.2 . 1 . . . . . 79 ALA CA . 50539 1 241 . 1 . 1 82 82 ALA CB C 13 17.9 0.2 . 1 . . . . . 79 ALA CB . 50539 1 242 . 1 . 1 82 82 ALA N N 15 123.2 0.2 . 1 . . . . . 79 ALA N . 50539 1 243 . 1 . 1 83 83 GLU H H 1 7.69 0.02 . 1 . . . . . 80 GLU H . 50539 1 244 . 1 . 1 83 83 GLU CA C 13 56.1 0.2 . 1 . . . . . 80 GLU CA . 50539 1 245 . 1 . 1 83 83 GLU CB C 13 29.3 0.2 . 1 . . . . . 80 GLU CB . 50539 1 246 . 1 . 1 83 83 GLU N N 15 116.8 0.2 . 1 . . . . . 80 GLU N . 50539 1 247 . 1 . 1 84 84 GLY H H 1 7.82 0.02 . 1 . . . . . 81 GLY H . 50539 1 248 . 1 . 1 84 84 GLY CA C 13 44.9 0.2 . 1 . . . . . 81 GLY CA . 50539 1 249 . 1 . 1 84 84 GLY N N 15 105.6 0.2 . 1 . . . . . 81 GLY N . 50539 1 250 . 1 . 1 85 85 CYS H H 1 7.81 0.02 . 1 . . . . . 82 CYS H . 50539 1 251 . 1 . 1 85 85 CYS CA C 13 59.7 0.2 . 1 . . . . . 82 CYS CA . 50539 1 252 . 1 . 1 85 85 CYS CB C 13 27.5 0.2 . 1 . . . . . 82 CYS CB . 50539 1 253 . 1 . 1 85 85 CYS N N 15 120.2 0.2 . 1 . . . . . 82 CYS N . 50539 1 254 . 1 . 1 86 86 ASP H H 1 7.77 0.02 . 1 . . . . . 83 ASP H . 50539 1 255 . 1 . 1 86 86 ASP CA C 13 53.8 0.2 . 1 . . . . . 83 ASP CA . 50539 1 256 . 1 . 1 86 86 ASP CB C 13 38.9 0.2 . 1 . . . . . 83 ASP CB . 50539 1 257 . 1 . 1 86 86 ASP N N 15 124.1 0.2 . 1 . . . . . 83 ASP N . 50539 1 258 . 1 . 1 87 87 ILE H H 1 7.57 0.02 . 1 . . . . . 84 ILE H . 50539 1 259 . 1 . 1 87 87 ILE CA C 13 59.6 0.2 . 1 . . . . . 84 ILE CA . 50539 1 260 . 1 . 1 87 87 ILE CB C 13 42.4 0.2 . 1 . . . . . 84 ILE CB . 50539 1 261 . 1 . 1 87 87 ILE N N 15 126.3 0.2 . 1 . . . . . 84 ILE N . 50539 1 stop_ save_