################################### # 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 17455 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N TROSY' . . . 17455 1 2 '3D TROSY-HNCA' . . . 17455 1 3 '3D TROSY-HN(CO)CA' . . . 17455 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 2 2 SER CA C 13 58.10 0.02 . 1 . . . . . -12 SER CA . 17455 1 2 . 1 . 1 3 3 GLY H H 1 8.40 0.00 . 1 . . . . . -11 GLY H . 17455 1 3 . 1 . 1 3 3 GLY CA C 13 45.00 0.02 . 1 . . . . . -11 GLY CA . 17455 1 4 . 1 . 1 3 3 GLY N N 15 111.70 0.15 . 1 . . . . . -11 GLY N . 17455 1 5 . 1 . 1 4 4 TRP H H 1 8.20 0.00 . 1 . . . . . -10 TRP H . 17455 1 6 . 1 . 1 4 4 TRP CA C 13 56.93 0.02 . 1 . . . . . -10 TRP CA . 17455 1 7 . 1 . 1 4 4 TRP N N 15 122.01 0.05 . 1 . . . . . -10 TRP N . 17455 1 8 . 1 . 1 5 5 SER H H 1 7.99 0.00 . 1 . . . . . -9 SER H . 17455 1 9 . 1 . 1 5 5 SER CA C 13 58.01 0.01 . 1 . . . . . -9 SER CA . 17455 1 10 . 1 . 1 5 5 SER N N 15 116.76 0.03 . 1 . . . . . -9 SER N . 17455 1 11 . 1 . 1 6 6 HIS H H 1 7.96 0.00 . 1 . . . . . -8 HIS H . 17455 1 12 . 1 . 1 6 6 HIS CA C 13 53.47 0.38 . 1 . . . . . -8 HIS CA . 17455 1 13 . 1 . 1 6 6 HIS N N 15 119.77 0.04 . 1 . . . . . -8 HIS N . 17455 1 14 . 1 . 1 7 7 PRO CA C 13 62.96 0.01 . 1 . . . . . -7 PRO CA . 17455 1 15 . 1 . 1 8 8 GLN H H 1 8.49 0.00 . 1 . . . . . -6 GLN H . 17455 1 16 . 1 . 1 8 8 GLN CA C 13 55.50 0.01 . 1 . . . . . -6 GLN CA . 17455 1 17 . 1 . 1 8 8 GLN N N 15 120.67 0.02 . 1 . . . . . -6 GLN N . 17455 1 18 . 1 . 1 9 9 PHE H H 1 8.09 0.00 . 1 . . . . . -5 PHE H . 17455 1 19 . 1 . 1 9 9 PHE CA C 13 57.20 0.01 . 1 . . . . . -5 PHE CA . 17455 1 20 . 1 . 1 9 9 PHE N N 15 121.37 0.14 . 1 . . . . . -5 PHE N . 17455 1 21 . 1 . 1 10 10 GLU H H 1 8.26 0.01 . 1 . . . . . -4 GLU H . 17455 1 22 . 1 . 1 10 10 GLU CA C 13 56.19 0.03 . 1 . . . . . -4 GLU CA . 17455 1 23 . 1 . 1 10 10 GLU N N 15 122.33 0.09 . 1 . . . . . -4 GLU N . 17455 1 24 . 1 . 1 11 11 LYS H H 1 8.43 0.01 . 1 . . . . . -3 LYS H . 17455 1 25 . 1 . 1 11 11 LYS CA C 13 58.44 0.03 . 1 . . . . . -3 LYS CA . 17455 1 26 . 1 . 1 11 11 LYS N N 15 122.13 0.11 . 1 . . . . . -3 LYS N . 17455 1 27 . 1 . 1 12 12 GLY H H 1 8.58 0.00 . 1 . . . . . -2 GLY H . 17455 1 28 . 1 . 1 12 12 GLY CA C 13 46.48 0.02 . 1 . . . . . -2 GLY CA . 17455 1 29 . 1 . 1 12 12 GLY N N 15 108.38 0.06 . 1 . . . . . -2 GLY N . 17455 1 30 . 1 . 1 13 13 SER H H 1 7.86 0.01 . 1 . . . . . -1 SER H . 17455 1 31 . 1 . 1 13 13 SER CA C 13 60.23 0.38 . 1 . . . . . -1 SER CA . 17455 1 32 . 1 . 1 13 13 SER N N 15 116.75 0.03 . 1 . . . . . -1 SER N . 17455 1 33 . 1 . 1 14 14 MET CA C 13 57.99 0.38 . 1 . . . . . 1 MET CA . 17455 1 34 . 1 . 1 15 15 LEU H H 1 8.10 0.00 . 1 . . . . . 2 LEU H . 17455 1 35 . 1 . 1 15 15 LEU CA C 13 57.88 0.11 . 1 . . . . . 2 LEU CA . 17455 1 36 . 1 . 1 15 15 LEU N N 15 119.91 0.05 . 1 . . . . . 2 LEU N . 17455 1 37 . 1 . 1 16 16 LEU H H 1 7.79 0.00 . 1 . . . . . 3 LEU H . 17455 1 38 . 1 . 1 16 16 LEU CA C 13 57.64 0.02 . 1 . . . . . 3 LEU CA . 17455 1 39 . 1 . 1 16 16 LEU N N 15 118.88 0.03 . 1 . . . . . 3 LEU N . 17455 1 40 . 1 . 1 17 17 LEU H H 1 7.90 0.01 . 1 . . . . . 4 LEU H . 17455 1 41 . 1 . 1 17 17 LEU CA C 13 57.93 0.06 . 1 . . . . . 4 LEU CA . 17455 1 42 . 1 . 1 17 17 LEU N N 15 122.31 0.10 . 1 . . . . . 4 LEU N . 17455 1 43 . 1 . 1 18 18 LEU H H 1 8.12 0.00 . 1 . . . . . 5 LEU H . 17455 1 44 . 1 . 1 18 18 LEU CA C 13 57.99 0.02 . 1 . . . . . 5 LEU CA . 17455 1 45 . 1 . 1 18 18 LEU N N 15 119.89 0.07 . 1 . . . . . 5 LEU N . 17455 1 46 . 1 . 1 19 19 LEU H H 1 8.40 0.00 . 1 . . . . . 6 LEU H . 17455 1 47 . 1 . 1 19 19 LEU CA C 13 57.78 0.04 . 1 . . . . . 6 LEU CA . 17455 1 48 . 1 . 1 19 19 LEU N N 15 118.32 0.08 . 1 . . . . . 6 LEU N . 17455 1 49 . 1 . 1 20 20 SER H H 1 8.19 0.01 . 1 . . . . . 7 SER H . 17455 1 50 . 1 . 1 20 20 SER CA C 13 62.50 0.38 . 1 . . . . . 7 SER CA . 17455 1 51 . 1 . 1 20 20 SER N N 15 115.50 0.08 . 1 . . . . . 7 SER N . 17455 1 52 . 1 . 1 30 30 VAL CA C 13 64.75 0.04 . 1 . . . . . 17 VAL CA . 17455 1 53 . 1 . 1 31 31 LEU H H 1 8.26 0.01 . 1 . . . . . 18 LEU H . 17455 1 54 . 1 . 1 31 31 LEU CA C 13 57.73 0.10 . 1 . . . . . 18 LEU CA . 17455 1 55 . 1 . 1 31 31 LEU N N 15 119.74 0.06 . 1 . . . . . 18 LEU N . 17455 1 56 . 1 . 1 32 32 LEU H H 1 8.52 0.01 . 1 . . . . . 19 LEU H . 17455 1 57 . 1 . 1 32 32 LEU CA C 13 57.74 0.03 . 1 . . . . . 19 LEU CA . 17455 1 58 . 1 . 1 32 32 LEU N N 15 121.85 0.08 . 1 . . . . . 19 LEU N . 17455 1 59 . 1 . 1 33 33 PHE H H 1 8.51 0.00 . 1 . . . . . 20 PHE H . 17455 1 60 . 1 . 1 33 33 PHE CA C 13 61.04 0.05 . 1 . . . . . 20 PHE CA . 17455 1 61 . 1 . 1 33 33 PHE N N 15 119.68 0.06 . 1 . . . . . 20 PHE N . 17455 1 62 . 1 . 1 34 34 VAL H H 1 8.66 0.01 . 1 . . . . . 21 VAL H . 17455 1 63 . 1 . 1 34 34 VAL CA C 13 65.81 0.04 . 1 . . . . . 21 VAL CA . 17455 1 64 . 1 . 1 34 34 VAL N N 15 118.49 0.03 . 1 . . . . . 21 VAL N . 17455 1 65 . 1 . 1 35 35 SER H H 1 8.30 0.01 . 1 . . . . . 22 SER H . 17455 1 66 . 1 . 1 35 35 SER CA C 13 62.44 0.38 . 1 . . . . . 22 SER CA . 17455 1 67 . 1 . 1 35 35 SER N N 15 115.92 0.07 . 1 . . . . . 22 SER N . 17455 1 68 . 1 . 1 36 36 THR H H 1 7.69 0.00 . 1 . . . . . 23 THR H . 17455 1 69 . 1 . 1 36 36 THR CA C 13 65.89 0.01 . 1 . . . . . 23 THR CA . 17455 1 70 . 1 . 1 36 36 THR N N 15 118.88 0.05 . 1 . . . . . 23 THR N . 17455 1 71 . 1 . 1 37 37 ILE H H 1 7.41 0.00 . 1 . . . . . 24 ILE H . 17455 1 72 . 1 . 1 37 37 ILE CA C 13 63.38 0.03 . 1 . . . . . 24 ILE CA . 17455 1 73 . 1 . 1 37 37 ILE N N 15 122.44 0.04 . 1 . . . . . 24 ILE N . 17455 1 74 . 1 . 1 38 38 VAL H H 1 8.03 0.00 . 1 . . . . . 25 VAL H . 17455 1 75 . 1 . 1 38 38 VAL CA C 13 65.57 0.05 . 1 . . . . . 25 VAL CA . 17455 1 76 . 1 . 1 38 38 VAL N N 15 118.75 0.07 . 1 . . . . . 25 VAL N . 17455 1 77 . 1 . 1 39 39 SER H H 1 7.95 0.01 . 1 . . . . . 26 SER H . 17455 1 78 . 1 . 1 39 39 SER CA C 13 61.89 0.02 . 1 . . . . . 26 SER CA . 17455 1 79 . 1 . 1 39 39 SER N N 15 115.09 0.03 . 1 . . . . . 26 SER N . 17455 1 80 . 1 . 1 40 40 GLN H H 1 7.64 0.00 . 1 . . . . . 27 GLN H . 17455 1 81 . 1 . 1 40 40 GLN CA C 13 57.69 0.02 . 1 . . . . . 27 GLN CA . 17455 1 82 . 1 . 1 40 40 GLN N N 15 119.42 0.04 . 1 . . . . . 27 GLN N . 17455 1 83 . 1 . 1 41 41 TRP H H 1 7.92 0.00 . 1 . . . . . 28 TRP H . 17455 1 84 . 1 . 1 41 41 TRP CA C 13 58.93 0.05 . 1 . . . . . 28 TRP CA . 17455 1 85 . 1 . 1 41 41 TRP N N 15 120.36 0.04 . 1 . . . . . 28 TRP N . 17455 1 86 . 1 . 1 42 42 ILE H H 1 7.92 0.00 . 1 . . . . . 29 ILE H . 17455 1 87 . 1 . 1 42 42 ILE CA C 13 63.08 0.08 . 1 . . . . . 29 ILE CA . 17455 1 88 . 1 . 1 42 42 ILE N N 15 117.19 0.04 . 1 . . . . . 29 ILE N . 17455 1 89 . 1 . 1 43 43 VAL H H 1 7.76 0.00 . 1 . . . . . 30 VAL H . 17455 1 90 . 1 . 1 43 43 VAL CA C 13 62.92 0.01 . 1 . . . . . 30 VAL CA . 17455 1 91 . 1 . 1 43 43 VAL N N 15 116.71 0.03 . 1 . . . . . 30 VAL N . 17455 1 92 . 1 . 1 44 44 GLY H H 1 7.82 0.00 . 1 . . . . . 31 GLY H . 17455 1 93 . 1 . 1 44 44 GLY CA C 13 45.35 0.02 . 1 . . . . . 31 GLY CA . 17455 1 94 . 1 . 1 44 44 GLY N N 15 109.70 0.04 . 1 . . . . . 31 GLY N . 17455 1 95 . 1 . 1 45 45 ASN H H 1 7.97 0.00 . 1 . . . . . 32 ASN H . 17455 1 96 . 1 . 1 45 45 ASN CA C 13 52.94 0.01 . 1 . . . . . 32 ASN CA . 17455 1 97 . 1 . 1 45 45 ASN N N 15 119.27 0.06 . 1 . . . . . 32 ASN N . 17455 1 98 . 1 . 1 46 46 GLY H H 1 8.16 0.00 . 1 . . . . . 33 GLY H . 17455 1 99 . 1 . 1 46 46 GLY CA C 13 45.30 0.03 . 1 . . . . . 33 GLY CA . 17455 1 100 . 1 . 1 46 46 GLY N N 15 109.32 0.03 . 1 . . . . . 33 GLY N . 17455 1 101 . 1 . 1 47 47 HIS H H 1 8.13 0.00 . 1 . . . . . 34 HIS H . 17455 1 102 . 1 . 1 47 47 HIS CA C 13 55.04 0.02 . 1 . . . . . 34 HIS CA . 17455 1 103 . 1 . 1 47 47 HIS N N 15 118.03 0.03 . 1 . . . . . 34 HIS N . 17455 1 104 . 1 . 1 48 48 ALA H H 1 8.57 0.00 . 1 . . . . . 35 ALA H . 17455 1 105 . 1 . 1 48 48 ALA CA C 13 53.68 0.02 . 1 . . . . . 35 ALA CA . 17455 1 106 . 1 . 1 48 48 ALA N N 15 125.36 0.10 . 1 . . . . . 35 ALA N . 17455 1 107 . 1 . 1 49 49 THR H H 1 7.85 0.00 . 1 . . . . . 36 THR H . 17455 1 108 . 1 . 1 49 49 THR CA C 13 62.98 0.02 . 1 . . . . . 36 THR CA . 17455 1 109 . 1 . 1 49 49 THR N N 15 110.53 0.09 . 1 . . . . . 36 THR N . 17455 1 110 . 1 . 1 50 50 ASP H H 1 7.92 0.00 . 1 . . . . . 37 ASP H . 17455 1 111 . 1 . 1 50 50 ASP CA C 13 55.09 0.02 . 1 . . . . . 37 ASP CA . 17455 1 112 . 1 . 1 50 50 ASP N N 15 122.42 0.03 . 1 . . . . . 37 ASP N . 17455 1 113 . 1 . 1 51 51 LEU H H 1 7.77 0.00 . 1 . . . . . 38 LEU H . 17455 1 114 . 1 . 1 51 51 LEU CA C 13 56.63 0.02 . 1 . . . . . 38 LEU CA . 17455 1 115 . 1 . 1 51 51 LEU N N 15 121.09 0.02 . 1 . . . . . 38 LEU N . 17455 1 116 . 1 . 1 52 52 TRP H H 1 7.69 0.00 . 1 . . . . . 39 TRP H . 17455 1 117 . 1 . 1 52 52 TRP CA C 13 57.72 0.00 . 1 . . . . . 39 TRP CA . 17455 1 118 . 1 . 1 52 52 TRP N N 15 118.04 0.03 . 1 . . . . . 39 TRP N . 17455 1 119 . 1 . 1 53 53 GLN H H 1 7.88 0.00 . 1 . . . . . 40 GLN H . 17455 1 120 . 1 . 1 53 53 GLN CA C 13 56.53 0.12 . 1 . . . . . 40 GLN CA . 17455 1 121 . 1 . 1 53 53 GLN N N 15 119.30 0.05 . 1 . . . . . 40 GLN N . 17455 1 122 . 1 . 1 54 54 ASN H H 1 8.10 0.00 . 1 . . . . . 41 ASN H . 17455 1 123 . 1 . 1 54 54 ASN CA C 13 53.54 0.01 . 1 . . . . . 41 ASN CA . 17455 1 124 . 1 . 1 54 54 ASN N N 15 118.75 0.02 . 1 . . . . . 41 ASN N . 17455 1 125 . 1 . 1 55 55 CYS H H 1 7.96 0.00 . 1 . . . . . 42 CYS H . 17455 1 126 . 1 . 1 55 55 CYS CA C 13 58.83 0.00 . 1 . . . . . 42 CYS CA . 17455 1 127 . 1 . 1 55 55 CYS N N 15 119.25 0.05 . 1 . . . . . 42 CYS N . 17455 1 128 . 1 . 1 56 56 SER H H 1 8.05 0.00 . 1 . . . . . 43 SER H . 17455 1 129 . 1 . 1 56 56 SER CA C 13 58.29 0.05 . 1 . . . . . 43 SER CA . 17455 1 130 . 1 . 1 56 56 SER N N 15 117.49 0.00 . 1 . . . . . 43 SER N . 17455 1 131 . 1 . 1 57 57 THR H H 1 8.00 0.00 . 1 . . . . . 44 THR H . 17455 1 132 . 1 . 1 57 57 THR CA C 13 61.74 0.01 . 1 . . . . . 44 THR CA . 17455 1 133 . 1 . 1 57 57 THR N N 15 115.74 0.09 . 1 . . . . . 44 THR N . 17455 1 134 . 1 . 1 58 58 SER H H 1 8.09 0.00 . 1 . . . . . 45 SER H . 17455 1 135 . 1 . 1 58 58 SER CA C 13 58.43 0.01 . 1 . . . . . 45 SER CA . 17455 1 136 . 1 . 1 58 58 SER N N 15 118.12 0.04 . 1 . . . . . 45 SER N . 17455 1 137 . 1 . 1 59 59 SER H H 1 8.11 0.00 . 1 . . . . . 46 SER H . 17455 1 138 . 1 . 1 59 59 SER CA C 13 58.42 0.02 . 1 . . . . . 46 SER CA . 17455 1 139 . 1 . 1 59 59 SER N N 15 118.19 0.10 . 1 . . . . . 46 SER N . 17455 1 140 . 1 . 1 60 60 SER H H 1 8.17 0.00 . 1 . . . . . 47 SER H . 17455 1 141 . 1 . 1 60 60 SER CA C 13 58.45 0.05 . 1 . . . . . 47 SER CA . 17455 1 142 . 1 . 1 60 60 SER N N 15 118.39 0.03 . 1 . . . . . 47 SER N . 17455 1 143 . 1 . 1 61 61 GLY H H 1 8.17 0.00 . 1 . . . . . 48 GLY H . 17455 1 144 . 1 . 1 61 61 GLY CA C 13 45.17 0.06 . 1 . . . . . 48 GLY CA . 17455 1 145 . 1 . 1 61 61 GLY N N 15 110.99 0.08 . 1 . . . . . 48 GLY N . 17455 1 146 . 1 . 1 62 62 ASN H H 1 8.09 0.00 . 1 . . . . . 49 ASN H . 17455 1 147 . 1 . 1 62 62 ASN CA C 13 53.03 0.04 . 1 . . . . . 49 ASN CA . 17455 1 148 . 1 . 1 62 62 ASN N N 15 119.62 0.14 . 1 . . . . . 49 ASN N . 17455 1 149 . 1 . 1 63 63 VAL H H 1 7.85 0.00 . 1 . . . . . 50 VAL H . 17455 1 150 . 1 . 1 63 63 VAL CA C 13 62.17 0.11 . 1 . . . . . 50 VAL CA . 17455 1 151 . 1 . 1 63 63 VAL N N 15 120.24 0.03 . 1 . . . . . 50 VAL N . 17455 1 152 . 1 . 1 64 64 HIS H H 1 8.27 0.00 . 1 . . . . . 51 HIS H . 17455 1 153 . 1 . 1 64 64 HIS CA C 13 55.25 0.38 . 1 . . . . . 51 HIS CA . 17455 1 154 . 1 . 1 64 64 HIS N N 15 121.54 0.02 . 1 . . . . . 51 HIS N . 17455 1 155 . 1 . 1 65 65 HIS CA C 13 55.18 0.00 . 1 . . . . . 52 HIS CA . 17455 1 156 . 1 . 1 66 66 CYS H H 1 8.33 0.00 . 1 . . . . . 53 CYS H . 17455 1 157 . 1 . 1 66 66 CYS CA C 13 59.12 0.05 . 1 . . . . . 53 CYS CA . 17455 1 158 . 1 . 1 66 66 CYS N N 15 120.29 0.02 . 1 . . . . . 53 CYS N . 17455 1 159 . 1 . 1 67 67 PHE H H 1 8.10 0.00 . 1 . . . . . 54 PHE H . 17455 1 160 . 1 . 1 67 67 PHE CA C 13 57.39 0.00 . 1 . . . . . 54 PHE CA . 17455 1 161 . 1 . 1 67 67 PHE N N 15 120.52 0.01 . 1 . . . . . 54 PHE N . 17455 1 162 . 1 . 1 68 68 SER H H 1 8.28 0.00 . 1 . . . . . 55 SER H . 17455 1 163 . 1 . 1 68 68 SER CA C 13 58.42 0.04 . 1 . . . . . 55 SER CA . 17455 1 164 . 1 . 1 68 68 SER N N 15 116.58 0.14 . 1 . . . . . 55 SER N . 17455 1 165 . 1 . 1 69 69 SER H H 1 8.01 0.00 . 1 . . . . . 56 SER H . 17455 1 166 . 1 . 1 69 69 SER CA C 13 57.85 0.01 . 1 . . . . . 56 SER CA . 17455 1 167 . 1 . 1 69 69 SER N N 15 117.49 0.08 . 1 . . . . . 56 SER N . 17455 1 168 . 1 . 1 70 70 SER H H 1 8.14 0.00 . 1 . . . . . 57 SER H . 17455 1 169 . 1 . 1 70 70 SER CA C 13 55.98 0.38 . 1 . . . . . 57 SER CA . 17455 1 170 . 1 . 1 70 70 SER N N 15 117.72 0.04 . 1 . . . . . 57 SER N . 17455 1 171 . 1 . 1 71 71 PRO CA C 13 63.78 0.02 . 1 . . . . . 58 PRO CA . 17455 1 172 . 1 . 1 72 72 ASN H H 1 8.15 0.01 . 1 . . . . . 59 ASN H . 17455 1 173 . 1 . 1 72 72 ASN CA C 13 55.03 0.01 . 1 . . . . . 59 ASN CA . 17455 1 174 . 1 . 1 72 72 ASN N N 15 116.15 0.12 . 1 . . . . . 59 ASN N . 17455 1 175 . 1 . 1 73 73 GLU H H 1 7.92 0.01 . 1 . . . . . 60 GLU H . 17455 1 176 . 1 . 1 73 73 GLU CA C 13 57.74 0.06 . 1 . . . . . 60 GLU CA . 17455 1 177 . 1 . 1 73 73 GLU N N 15 120.10 0.15 . 1 . . . . . 60 GLU N . 17455 1 178 . 1 . 1 74 74 TRP H H 1 7.89 0.01 . 1 . . . . . 61 TRP H . 17455 1 179 . 1 . 1 74 74 TRP CA C 13 58.94 0.04 . 1 . . . . . 61 TRP CA . 17455 1 180 . 1 . 1 74 74 TRP N N 15 121.19 0.12 . 1 . . . . . 61 TRP N . 17455 1 181 . 1 . 1 75 75 LEU H H 1 7.78 0.00 . 1 . . . . . 62 LEU H . 17455 1 182 . 1 . 1 75 75 LEU CA C 13 56.18 0.03 . 1 . . . . . 62 LEU CA . 17455 1 183 . 1 . 1 75 75 LEU N N 15 118.90 0.04 . 1 . . . . . 62 LEU N . 17455 1 184 . 1 . 1 76 76 GLN H H 1 7.56 0.00 . 1 . . . . . 63 GLN H . 17455 1 185 . 1 . 1 76 76 GLN CA C 13 56.44 0.03 . 1 . . . . . 63 GLN CA . 17455 1 186 . 1 . 1 76 76 GLN N N 15 116.25 0.10 . 1 . . . . . 63 GLN N . 17455 1 187 . 1 . 1 77 77 SER H H 1 7.76 0.00 . 1 . . . . . 64 SER H . 17455 1 188 . 1 . 1 77 77 SER CA C 13 58.81 0.38 . 1 . . . . . 64 SER CA . 17455 1 189 . 1 . 1 77 77 SER N N 15 115.13 0.08 . 1 . . . . . 64 SER N . 17455 1 190 . 1 . 1 144 144 SER CA C 13 60.16 0.38 . 1 . . . . . 131 SER CA . 17455 1 191 . 1 . 1 145 145 TYR H H 1 7.95 0.00 . 1 . . . . . 132 TYR H . 17455 1 192 . 1 . 1 145 145 TYR CA C 13 59.98 0.05 . 1 . . . . . 132 TYR CA . 17455 1 193 . 1 . 1 145 145 TYR N N 15 121.18 0.05 . 1 . . . . . 132 TYR N . 17455 1 194 . 1 . 1 146 146 GLY H H 1 8.17 0.01 . 1 . . . . . 133 GLY H . 17455 1 195 . 1 . 1 146 146 GLY CA C 13 46.78 0.38 . 1 . . . . . 133 GLY CA . 17455 1 196 . 1 . 1 146 146 GLY N N 15 107.14 0.05 . 1 . . . . . 133 GLY N . 17455 1 197 . 1 . 1 162 162 SER CA C 13 63.02 0.38 . 1 . . . . . 149 SER CA . 17455 1 198 . 1 . 1 163 163 GLY H H 1 8.15 0.00 . 1 . . . . . 150 GLY H . 17455 1 199 . 1 . 1 163 163 GLY CA C 13 47.18 0.02 . 1 . . . . . 150 GLY CA . 17455 1 200 . 1 . 1 163 163 GLY N N 15 109.39 0.09 . 1 . . . . . 150 GLY N . 17455 1 201 . 1 . 1 164 164 VAL H H 1 8.08 0.00 . 1 . . . . . 151 VAL H . 17455 1 202 . 1 . 1 164 164 VAL CA C 13 66.51 0.07 . 1 . . . . . 151 VAL CA . 17455 1 203 . 1 . 1 164 164 VAL N N 15 121.57 0.01 . 1 . . . . . 151 VAL N . 17455 1 204 . 1 . 1 165 165 ILE H H 1 8.12 0.00 . 1 . . . . . 152 ILE H . 17455 1 205 . 1 . 1 165 165 ILE CA C 13 64.98 0.03 . 1 . . . . . 152 ILE CA . 17455 1 206 . 1 . 1 165 165 ILE N N 15 119.31 0.02 . 1 . . . . . 152 ILE N . 17455 1 207 . 1 . 1 166 166 TYR H H 1 8.32 0.00 . 1 . . . . . 153 TYR H . 17455 1 208 . 1 . 1 166 166 TYR CA C 13 62.11 0.04 . 1 . . . . . 153 TYR CA . 17455 1 209 . 1 . 1 166 166 TYR N N 15 120.18 0.06 . 1 . . . . . 153 TYR N . 17455 1 210 . 1 . 1 167 167 VAL H H 1 8.00 0.01 . 1 . . . . . 154 VAL H . 17455 1 211 . 1 . 1 167 167 VAL CA C 13 66.33 0.01 . 1 . . . . . 154 VAL CA . 17455 1 212 . 1 . 1 167 167 VAL N N 15 117.25 0.03 . 1 . . . . . 154 VAL N . 17455 1 213 . 1 . 1 168 168 ILE H H 1 7.99 0.01 . 1 . . . . . 155 ILE H . 17455 1 214 . 1 . 1 168 168 ILE CA C 13 64.65 0.03 . 1 . . . . . 155 ILE CA . 17455 1 215 . 1 . 1 168 168 ILE N N 15 119.38 0.01 . 1 . . . . . 155 ILE N . 17455 1 216 . 1 . 1 169 169 LEU H H 1 8.19 0.01 . 1 . . . . . 156 LEU H . 17455 1 217 . 1 . 1 169 169 LEU CA C 13 56.62 0.00 . 1 . . . . . 156 LEU CA . 17455 1 218 . 1 . 1 169 169 LEU N N 15 118.74 0.19 . 1 . . . . . 156 LEU N . 17455 1 219 . 1 . 1 170 170 ARG H H 1 7.87 0.00 . 1 . . . . . 157 ARG H . 17455 1 220 . 1 . 1 170 170 ARG CA C 13 56.48 0.02 . 1 . . . . . 157 ARG CA . 17455 1 221 . 1 . 1 170 170 ARG N N 15 118.54 0.03 . 1 . . . . . 157 ARG N . 17455 1 222 . 1 . 1 171 171 LYS H H 1 7.84 0.00 . 1 . . . . . 158 LYS H . 17455 1 223 . 1 . 1 171 171 LYS CA C 13 56.17 0.07 . 1 . . . . . 158 LYS CA . 17455 1 224 . 1 . 1 171 171 LYS N N 15 119.84 0.05 . 1 . . . . . 158 LYS N . 17455 1 225 . 1 . 1 172 172 ARG H H 1 7.74 0.00 . 1 . . . . . 159 ARG H . 17455 1 226 . 1 . 1 172 172 ARG CA C 13 55.91 0.01 . 1 . . . . . 159 ARG CA . 17455 1 227 . 1 . 1 172 172 ARG N N 15 121.52 0.01 . 1 . . . . . 159 ARG N . 17455 1 228 . 1 . 1 173 173 GLU H H 1 7.60 0.00 . 1 . . . . . 160 GLU H . 17455 1 229 . 1 . 1 173 173 GLU CA C 13 57.33 0.38 . 1 . . . . . 160 GLU CA . 17455 1 230 . 1 . 1 173 173 GLU N N 15 126.30 0.07 . 1 . . . . . 160 GLU N . 17455 1 stop_ save_