################################### # 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 18223 _Assigned_chem_shift_list.ID 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 $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 2 '3D HNCO' . . . 18223 1 3 '3D HNCA' . . . 18223 1 4 '3D HNCACB' . . . 18223 1 7 '3D 13C-15N HSQC-NOESY-HSQC' . . . 18223 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 11 11 GLN C C 13 176.17 0.1 . 1 . . . A 2 GLN C . 18223 1 2 . 1 1 12 12 ASP H H 1 8.275 0.01 . 1 . . . A 3 ASP H . 18223 1 3 . 1 1 12 12 ASP HA H 1 4.15 0.01 . 1 . . . A 3 ASP HA . 18223 1 4 . 1 1 12 12 ASP HB2 H 1 2.682 0.01 . 2 . . . A 3 ASP HB2 . 18223 1 5 . 1 1 12 12 ASP HB3 H 1 2.682 0.01 . 2 . . . A 3 ASP HB3 . 18223 1 6 . 1 1 12 12 ASP C C 13 176.98 0.1 . 1 . . . A 3 ASP C . 18223 1 7 . 1 1 12 12 ASP CA C 13 54.837 0.1 . 1 . . . A 3 ASP CA . 18223 1 8 . 1 1 12 12 ASP CB C 13 40.796 0.1 . 1 . . . A 3 ASP CB . 18223 1 9 . 1 1 12 12 ASP N N 15 120.369 0.1 . 1 . . . A 3 ASP N . 18223 1 10 . 1 1 13 13 THR H H 1 7.99 0.01 . 1 . . . A 4 THR H . 18223 1 11 . 1 1 13 13 THR HA H 1 4.636 0.01 . 1 . . . A 4 THR HA . 18223 1 12 . 1 1 13 13 THR HG21 H 1 1.193 0.01 . 1 . . . A 4 THR HG21 . 18223 1 13 . 1 1 13 13 THR HG22 H 1 1.193 0.01 . 1 . . . A 4 THR HG22 . 18223 1 14 . 1 1 13 13 THR HG23 H 1 1.193 0.01 . 1 . . . A 4 THR HG23 . 18223 1 15 . 1 1 13 13 THR C C 13 175.53 0.1 . 1 . . . A 4 THR C . 18223 1 16 . 1 1 13 13 THR CA C 13 62.79 0.1 . 1 . . . A 4 THR CA . 18223 1 17 . 1 1 13 13 THR CB C 13 69.134 0.1 . 1 . . . A 4 THR CB . 18223 1 18 . 1 1 13 13 THR CG2 C 13 21.721 0.1 . 1 . . . A 4 THR CG2 . 18223 1 19 . 1 1 13 13 THR N N 15 114.22 0.1 . 1 . . . A 4 THR N . 18223 1 20 . 1 1 14 14 SER H H 1 8.255 0.01 . 1 . . . A 5 SER H . 18223 1 21 . 1 1 14 14 SER HA H 1 4.296 0.01 . 1 . . . A 5 SER HA . 18223 1 22 . 1 1 14 14 SER C C 13 175.2 0.1 . 1 . . . A 5 SER C . 18223 1 23 . 1 1 14 14 SER CA C 13 59.443 0.1 . 1 . . . A 5 SER CA . 18223 1 24 . 1 1 14 14 SER CB C 13 63.438 0.1 . 1 . . . A 5 SER CB . 18223 1 25 . 1 1 14 14 SER N N 15 117.664 0.1 . 1 . . . A 5 SER N . 18223 1 26 . 1 1 15 15 SER H H 1 8.05 0.01 . 1 . . . A 6 SER H . 18223 1 27 . 1 1 15 15 SER HA H 1 4.317 0.01 . 1 . . . A 6 SER HA . 18223 1 28 . 1 1 15 15 SER C C 13 174.77 0.1 . 1 . . . A 6 SER C . 18223 1 29 . 1 1 15 15 SER CA C 13 58.737 0.1 . 1 . . . A 6 SER CA . 18223 1 30 . 1 1 15 15 SER CB C 13 63.656 0.1 . 1 . . . A 6 SER CB . 18223 1 31 . 1 1 15 15 SER N N 15 117.093 0.1 . 1 . . . A 6 SER N . 18223 1 32 . 1 1 16 16 VAL H H 1 7.775 0.01 . 1 . . . A 7 VAL H . 18223 1 33 . 1 1 16 16 VAL C C 13 176.15 0.1 . 1 . . . A 7 VAL C . 18223 1 34 . 1 1 16 16 VAL CA C 13 62.743 0.1 . 1 . . . A 7 VAL CA . 18223 1 35 . 1 1 16 16 VAL CB C 13 32.215 0.1 . 1 . . . A 7 VAL CB . 18223 1 36 . 1 1 16 16 VAL CG1 C 13 20.567 0.1 . 2 . . . A 7 VAL CG1 . 18223 1 37 . 1 1 16 16 VAL CG2 C 13 21.272 0.1 . 2 . . . A 7 VAL CG2 . 18223 1 38 . 1 1 16 16 VAL N N 15 119.995 0.1 . 1 . . . A 7 VAL N . 18223 1 39 . 1 1 17 17 VAL H H 1 7.73 0.01 . 1 . . . A 8 VAL H . 18223 1 40 . 1 1 17 17 VAL CA C 13 60.91 0.1 . 1 . . . A 8 VAL CA . 18223 1 41 . 1 1 17 17 VAL N N 15 121.09 0.1 . 1 . . . A 8 VAL N . 18223 1 42 . 1 1 18 18 PRO C C 13 178.41 0.1 . 1 . . . A 9 PRO C . 18223 1 43 . 1 1 18 18 PRO CA C 13 63.51 0.1 . 1 . . . A 9 PRO CA . 18223 1 44 . 1 1 19 19 LEU H H 1 7.93 0.01 . 1 . . . A 10 LEU H . 18223 1 45 . 1 1 19 19 LEU C C 13 178.91 0.1 . 1 . . . A 10 LEU C . 18223 1 46 . 1 1 19 19 LEU CA C 13 56.85 0.1 . 1 . . . A 10 LEU CA . 18223 1 47 . 1 1 19 19 LEU CB C 13 41.445 0.1 . 1 . . . A 10 LEU CB . 18223 1 48 . 1 1 19 19 LEU N N 15 121.41 0.1 . 1 . . . A 10 LEU N . 18223 1 49 . 1 1 20 20 HIS H H 1 8.384 0.01 . 1 . . . A 11 HIS H . 18223 1 50 . 1 1 20 20 HIS HA H 1 4.631 0.01 . 1 . . . A 11 HIS HA . 18223 1 51 . 1 1 20 20 HIS HB2 H 1 3.163 0.01 . 2 . . . A 11 HIS HB2 . 18223 1 52 . 1 1 20 20 HIS HB3 H 1 3.163 0.01 . 2 . . . A 11 HIS HB3 . 18223 1 53 . 1 1 20 20 HIS C C 13 174.99 0.1 . 1 . . . A 11 HIS C . 18223 1 54 . 1 1 20 20 HIS CA C 13 57 0.1 . 1 . . . A 11 HIS CA . 18223 1 55 . 1 1 20 20 HIS CB C 13 27.96 0.1 . 1 . . . A 11 HIS CB . 18223 1 56 . 1 1 20 20 HIS N N 15 116.9 0.1 . 1 . . . A 11 HIS N . 18223 1 57 . 1 1 21 21 TRP C C 13 177.66 0.1 . 1 . . . A 12 TRP C . 18223 1 58 . 1 1 22 22 PHE H H 1 7.883 0.01 . 1 . . . A 13 PHE H . 18223 1 59 . 1 1 22 22 PHE HA H 1 4.288 0.01 . 1 . . . A 13 PHE HA . 18223 1 60 . 1 1 22 22 PHE C C 13 177.41 0.1 . 1 . . . A 13 PHE C . 18223 1 61 . 1 1 22 22 PHE CA C 13 60.698 0.1 . 1 . . . A 13 PHE CA . 18223 1 62 . 1 1 22 22 PHE CB C 13 38.344 0.1 . 1 . . . A 13 PHE CB . 18223 1 63 . 1 1 22 22 PHE N N 15 119.238 0.1 . 1 . . . A 13 PHE N . 18223 1 64 . 1 1 23 23 GLY H H 1 7.911 0.01 . 1 . . . A 14 GLY H . 18223 1 65 . 1 1 23 23 GLY HA2 H 1 3.867 0.01 . 2 . . . A 14 GLY HA2 . 18223 1 66 . 1 1 23 23 GLY HA3 H 1 3.867 0.01 . 2 . . . A 14 GLY HA3 . 18223 1 67 . 1 1 23 23 GLY C C 13 176.22 0.1 . 1 . . . A 14 GLY C . 18223 1 68 . 1 1 23 23 GLY CA C 13 47.08 0.1 . 1 . . . A 14 GLY CA . 18223 1 69 . 1 1 23 23 GLY N N 15 107.209 0.1 . 1 . . . A 14 GLY N . 18223 1 70 . 1 1 24 24 PHE H H 1 7.9 0.01 . 1 . . . A 15 PHE H . 18223 1 71 . 1 1 24 24 PHE HA H 1 4.413 0.01 . 1 . . . A 15 PHE HA . 18223 1 72 . 1 1 24 24 PHE C C 13 177.84 0.1 . 1 . . . A 15 PHE C . 18223 1 73 . 1 1 24 24 PHE CA C 13 60.09 0.1 . 1 . . . A 15 PHE CA . 18223 1 74 . 1 1 24 24 PHE CB C 13 38.849 0.1 . 1 . . . A 15 PHE CB . 18223 1 75 . 1 1 24 24 PHE N N 15 121.88 0.1 . 1 . . . A 15 PHE N . 18223 1 76 . 1 1 25 25 GLY H H 1 8.32 0.01 . 1 . . . A 16 GLY H . 18223 1 77 . 1 1 25 25 GLY HA2 H 1 3.673 0.01 . 2 . . . A 16 GLY HA2 . 18223 1 78 . 1 1 25 25 GLY HA3 H 1 3.673 0.01 . 2 . . . A 16 GLY HA3 . 18223 1 79 . 1 1 25 25 GLY C C 13 174.91 0.1 . 1 . . . A 16 GLY C . 18223 1 80 . 1 1 25 25 GLY CA C 13 47.33 0.1 . 1 . . . A 16 GLY CA . 18223 1 81 . 1 1 25 25 GLY N N 15 107.64 0.1 . 1 . . . A 16 GLY N . 18223 1 82 . 1 1 26 26 TYR H H 1 8.365 0.01 . 1 . . . A 17 TYR H . 18223 1 83 . 1 1 26 26 TYR HB2 H 1 2.934 0.01 . 2 . . . A 17 TYR HB2 . 18223 1 84 . 1 1 26 26 TYR HB3 H 1 2.934 0.01 . 2 . . . A 17 TYR HB3 . 18223 1 85 . 1 1 26 26 TYR C C 13 177.12 0.1 . 1 . . . A 17 TYR C . 18223 1 86 . 1 1 26 26 TYR CA C 13 61.67 0.1 . 1 . . . A 17 TYR CA . 18223 1 87 . 1 1 26 26 TYR CB C 13 38.401 0.1 . 1 . . . A 17 TYR CB . 18223 1 88 . 1 1 26 26 TYR N N 15 121.804 0.1 . 1 . . . A 17 TYR N . 18223 1 89 . 1 1 27 27 ALA H H 1 7.949 0.01 . 1 . . . A 18 ALA H . 18223 1 90 . 1 1 27 27 ALA HA H 1 3.883 0.01 . 1 . . . A 18 ALA HA . 18223 1 91 . 1 1 27 27 ALA HB1 H 1 1.421 0.01 . 1 . . . A 18 ALA HB1 . 18223 1 92 . 1 1 27 27 ALA HB2 H 1 1.421 0.01 . 1 . . . A 18 ALA HB2 . 18223 1 93 . 1 1 27 27 ALA HB3 H 1 1.421 0.01 . 1 . . . A 18 ALA HB3 . 18223 1 94 . 1 1 27 27 ALA C C 13 178.79 0.1 . 1 . . . A 18 ALA C . 18223 1 95 . 1 1 27 27 ALA CA C 13 55.04 0.1 . 1 . . . A 18 ALA CA . 18223 1 96 . 1 1 27 27 ALA CB C 13 17.721 0.1 . 1 . . . A 18 ALA CB . 18223 1 97 . 1 1 27 27 ALA N N 15 120.785 0.1 . 1 . . . A 18 ALA N . 18223 1 98 . 1 1 28 28 ALA H H 1 7.87 0.01 . 1 . . . A 19 ALA H . 18223 1 99 . 1 1 28 28 ALA CA C 13 54.85 0.1 . 1 . . . A 19 ALA CA . 18223 1 100 . 1 1 28 28 ALA CB C 13 17.721 0.1 . 1 . . . A 19 ALA CB . 18223 1 101 . 1 1 28 28 ALA N N 15 120.21 0.1 . 1 . . . A 19 ALA N . 18223 1 102 . 1 1 29 29 LEU H H 1 8 0.01 . 1 . . . A 20 LEU H . 18223 1 103 . 1 1 29 29 LEU CA C 13 52 0.1 . 1 . . . A 20 LEU CA . 18223 1 104 . 1 1 29 29 LEU N N 15 120.09 0.1 . 1 . . . A 20 LEU N . 18223 1 105 . 1 1 30 30 VAL H H 1 7.947 0.01 . 1 . . . A 21 VAL H . 18223 1 106 . 1 1 30 30 VAL C C 13 178.92 0.1 . 1 . . . A 21 VAL C . 18223 1 107 . 1 1 30 30 VAL CA C 13 65.62 0.1 . 1 . . . A 21 VAL CA . 18223 1 108 . 1 1 30 30 VAL CB C 13 31.277 0.1 . 1 . . . A 21 VAL CB . 18223 1 109 . 1 1 30 30 VAL CG1 C 13 21.593 0.1 . 2 . . . A 21 VAL CG1 . 18223 1 110 . 1 1 30 30 VAL CG2 C 13 21.593 0.1 . 2 . . . A 21 VAL CG2 . 18223 1 111 . 1 1 30 30 VAL N N 15 118.299 0.1 . 1 . . . A 21 VAL N . 18223 1 112 . 1 1 31 31 ALA H H 1 7.819 0.01 . 1 . . . A 22 ALA H . 18223 1 113 . 1 1 31 31 ALA HA H 1 4.173 0.01 . 1 . . . A 22 ALA HA . 18223 1 114 . 1 1 31 31 ALA HB1 H 1 1.429 0.01 . 1 . . . A 22 ALA HB1 . 18223 1 115 . 1 1 31 31 ALA HB2 H 1 1.429 0.01 . 1 . . . A 22 ALA HB2 . 18223 1 116 . 1 1 31 31 ALA HB3 H 1 1.429 0.01 . 1 . . . A 22 ALA HB3 . 18223 1 117 . 1 1 31 31 ALA C C 13 179.54 0.1 . 1 . . . A 22 ALA C . 18223 1 118 . 1 1 31 31 ALA CA C 13 54.208 0.1 . 1 . . . A 22 ALA CA . 18223 1 119 . 1 1 31 31 ALA CB C 13 18.442 0.1 . 1 . . . A 22 ALA CB . 18223 1 120 . 1 1 31 31 ALA N N 15 122.6 0.1 . 1 . . . A 22 ALA N . 18223 1 121 . 1 1 32 32 SER H H 1 7.826 0.01 . 1 . . . A 23 SER H . 18223 1 122 . 1 1 32 32 SER HA H 1 4.015 0.01 . 1 . . . A 23 SER HA . 18223 1 123 . 1 1 32 32 SER C C 13 175.89 0.1 . 1 . . . A 23 SER C . 18223 1 124 . 1 1 32 32 SER CA C 13 60.49 0.1 . 1 . . . A 23 SER CA . 18223 1 125 . 1 1 32 32 SER CB C 13 63.51 0.1 . 1 . . . A 23 SER CB . 18223 1 126 . 1 1 32 32 SER N N 15 113.502 0.1 . 1 . . . A 23 SER N . 18223 1 127 . 1 1 33 33 GLY H H 1 7.985 0.01 . 1 . . . A 24 GLY H . 18223 1 128 . 1 1 33 33 GLY HA2 H 1 3.836 0.01 . 2 . . . A 24 GLY HA2 . 18223 1 129 . 1 1 33 33 GLY HA3 H 1 3.836 0.01 . 2 . . . A 24 GLY HA3 . 18223 1 130 . 1 1 33 33 GLY C C 13 176.18 0.1 . 1 . . . A 24 GLY C . 18223 1 131 . 1 1 33 33 GLY CA C 13 46.65 0.1 . 1 . . . A 24 GLY CA . 18223 1 132 . 1 1 33 33 GLY N N 15 109.939 0.1 . 1 . . . A 24 GLY N . 18223 1 133 . 1 1 34 34 GLY H H 1 8.235 0.01 . 1 . . . A 25 GLY H . 18223 1 134 . 1 1 34 34 GLY HA2 H 1 3.937 0.01 . 2 . . . A 25 GLY HA2 . 18223 1 135 . 1 1 34 34 GLY HA3 H 1 3.937 0.01 . 2 . . . A 25 GLY HA3 . 18223 1 136 . 1 1 34 34 GLY C C 13 175.33 0.1 . 1 . . . A 25 GLY C . 18223 1 137 . 1 1 34 34 GLY CA C 13 46.17 0.1 . 1 . . . A 25 GLY CA . 18223 1 138 . 1 1 34 34 GLY N N 15 109.396 0.1 . 1 . . . A 25 GLY N . 18223 1 139 . 1 1 35 35 ILE H H 1 7.998 0.01 . 1 . . . A 26 ILE H . 18223 1 140 . 1 1 35 35 ILE C C 13 177.4 0.1 . 1 . . . A 26 ILE C . 18223 1 141 . 1 1 35 35 ILE CA C 13 63.83 0.1 . 1 . . . A 26 ILE CA . 18223 1 142 . 1 1 35 35 ILE CB C 13 37.839 0.1 . 1 . . . A 26 ILE CB . 18223 1 143 . 1 1 35 35 ILE N N 15 120.211 0.1 . 1 . . . A 26 ILE N . 18223 1 144 . 1 1 36 36 ILE H H 1 7.998 0.01 . 1 . . . A 27 ILE H . 18223 1 145 . 1 1 36 36 ILE C C 13 177.9 0.1 . 1 . . . A 27 ILE C . 18223 1 146 . 1 1 36 36 ILE CA C 13 63.85 0.1 . 1 . . . A 27 ILE CA . 18223 1 147 . 1 1 36 36 ILE CB C 13 36.83 0.1 . 1 . . . A 27 ILE CB . 18223 1 148 . 1 1 36 36 ILE N N 15 120.051 0.1 . 1 . . . A 27 ILE N . 18223 1 149 . 1 1 37 37 GLY H H 1 7.983 0.01 . 1 . . . A 28 GLY H . 18223 1 150 . 1 1 37 37 GLY C C 13 176.12 0.1 . 1 . . . A 28 GLY C . 18223 1 151 . 1 1 37 37 GLY CA C 13 46.8 0.1 . 1 . . . A 28 GLY CA . 18223 1 152 . 1 1 37 37 GLY N N 15 107.531 0.1 . 1 . . . A 28 GLY N . 18223 1 153 . 1 1 38 38 TYR H H 1 7.726 0.01 . 1 . . . A 29 TYR H . 18223 1 154 . 1 1 38 38 TYR C C 13 176.53 0.1 . 1 . . . A 29 TYR C . 18223 1 155 . 1 1 38 38 TYR CA C 13 60.73 0.1 . 1 . . . A 29 TYR CA . 18223 1 156 . 1 1 38 38 TYR CB C 13 38.488 0.1 . 1 . . . A 29 TYR CB . 18223 1 157 . 1 1 38 38 TYR N N 15 120.9 0.1 . 1 . . . A 29 TYR N . 18223 1 158 . 1 1 39 39 VAL H H 1 7.849 0.01 . 1 . . . A 30 VAL H . 18223 1 159 . 1 1 39 39 VAL C C 13 177.6 0.1 . 1 . . . A 30 VAL C . 18223 1 160 . 1 1 39 39 VAL CA C 13 64.375 0.1 . 1 . . . A 30 VAL CA . 18223 1 161 . 1 1 39 39 VAL CB C 13 31.421 0.1 . 1 . . . A 30 VAL CB . 18223 1 162 . 1 1 39 39 VAL N N 15 117.958 0.1 . 1 . . . A 30 VAL N . 18223 1 163 . 1 1 40 40 LYS H H 1 8.072 0.01 . 1 . . . A 31 LYS H . 18223 1 164 . 1 1 40 40 LYS C C 13 177.09 0.1 . 1 . . . A 31 LYS C . 18223 1 165 . 1 1 40 40 LYS CA C 13 57.77 0.1 . 1 . . . A 31 LYS CA . 18223 1 166 . 1 1 40 40 LYS CB C 13 32.215 0.1 . 1 . . . A 31 LYS CB . 18223 1 167 . 1 1 40 40 LYS N N 15 120.116 0.1 . 1 . . . A 31 LYS N . 18223 1 168 . 1 1 41 41 ALA H H 1 7.786 0.01 . 1 . . . A 32 ALA H . 18223 1 169 . 1 1 41 41 ALA HA H 1 4.241 0.01 . 1 . . . A 32 ALA HA . 18223 1 170 . 1 1 41 41 ALA HB1 H 1 1.414 0.01 . 1 . . . A 32 ALA HB1 . 18223 1 171 . 1 1 41 41 ALA HB2 H 1 1.414 0.01 . 1 . . . A 32 ALA HB2 . 18223 1 172 . 1 1 41 41 ALA HB3 H 1 1.414 0.01 . 1 . . . A 32 ALA HB3 . 18223 1 173 . 1 1 41 41 ALA C C 13 178.78 0.1 . 1 . . . A 32 ALA C . 18223 1 174 . 1 1 41 41 ALA CA C 13 53.26 0.1 . 1 . . . A 32 ALA CA . 18223 1 175 . 1 1 41 41 ALA CB C 13 18.73 0.1 . 1 . . . A 32 ALA CB . 18223 1 176 . 1 1 41 41 ALA N N 15 122.082 0.1 . 1 . . . A 32 ALA N . 18223 1 177 . 1 1 42 42 GLY H H 1 7.964 0.01 . 1 . . . A 33 GLY H . 18223 1 178 . 1 1 42 42 GLY HA2 H 1 3.914 0.01 . 2 . . . A 33 GLY HA2 . 18223 1 179 . 1 1 42 42 GLY HA3 H 1 3.914 0.01 . 2 . . . A 33 GLY HA3 . 18223 1 180 . 1 1 42 42 GLY C C 13 174.79 0.1 . 1 . . . A 33 GLY C . 18223 1 181 . 1 1 42 42 GLY CA C 13 45.82 0.1 . 1 . . . A 33 GLY CA . 18223 1 182 . 1 1 42 42 GLY N N 15 106.746 0.1 . 1 . . . A 33 GLY N . 18223 1 183 . 1 1 43 43 SER H H 1 8.049 0.01 . 1 . . . A 34 SER H . 18223 1 184 . 1 1 43 43 SER HA H 1 4.491 0.01 . 1 . . . A 34 SER HA . 18223 1 185 . 1 1 43 43 SER C C 13 174.92 0.1 . 1 . . . A 34 SER C . 18223 1 186 . 1 1 43 43 SER CA C 13 58.73 0.1 . 1 . . . A 34 SER CA . 18223 1 187 . 1 1 43 43 SER CB C 13 63.798 0.1 . 1 . . . A 34 SER CB . 18223 1 188 . 1 1 43 43 SER N N 15 115.541 0.1 . 1 . . . A 34 SER N . 18223 1 189 . 1 1 44 44 VAL H H 1 8.332 0.01 . 1 . . . A 35 VAL H . 18223 1 190 . 1 1 44 44 VAL CA C 13 65.33 0.1 . 1 . . . A 35 VAL CA . 18223 1 191 . 1 1 44 44 VAL CB C 13 29.33 0.1 . 1 . . . A 35 VAL CB . 18223 1 192 . 1 1 44 44 VAL N N 15 121.887 0.1 . 1 . . . A 35 VAL N . 18223 1 193 . 1 1 46 46 SER H H 1 7.924 0.01 . 1 . . . A 37 SER H . 18223 1 194 . 1 1 46 46 SER CA C 13 61.13 0.1 . 1 . . . A 37 SER CA . 18223 1 195 . 1 1 46 46 SER CB C 13 62.789 0.1 . 1 . . . A 37 SER CB . 18223 1 196 . 1 1 46 46 SER N N 15 113.762 0.1 . 1 . . . A 37 SER N . 18223 1 197 . 1 1 47 47 LEU H H 1 8.108 0.01 . 1 . . . A 38 LEU H . 18223 1 198 . 1 1 47 47 LEU C C 13 176.44 0.1 . 1 . . . A 38 LEU C . 18223 1 199 . 1 1 47 47 LEU CA C 13 57.36 0.1 . 1 . . . A 38 LEU CA . 18223 1 200 . 1 1 47 47 LEU CB C 13 41.805 0.1 . 1 . . . A 38 LEU CB . 18223 1 201 . 1 1 47 47 LEU N N 15 124.45 0.1 . 1 . . . A 38 LEU N . 18223 1 202 . 1 1 48 48 ALA H H 1 8.25 0.01 . 1 . . . A 39 ALA H . 18223 1 203 . 1 1 48 48 ALA HB1 H 1 1.39 0.01 . 1 . . . A 39 ALA HB1 . 18223 1 204 . 1 1 48 48 ALA HB2 H 1 1.39 0.01 . 1 . . . A 39 ALA HB2 . 18223 1 205 . 1 1 48 48 ALA HB3 H 1 1.39 0.01 . 1 . . . A 39 ALA HB3 . 18223 1 206 . 1 1 48 48 ALA CA C 13 54.61 0.1 . 1 . . . A 39 ALA CA . 18223 1 207 . 1 1 48 48 ALA N N 15 121.29 0.1 . 1 . . . A 39 ALA N . 18223 1 208 . 1 1 49 49 ALA H H 1 8.145 0.01 . 1 . . . A 40 ALA H . 18223 1 209 . 1 1 49 49 ALA HB1 H 1 1.429 0.01 . 1 . . . A 40 ALA HB1 . 18223 1 210 . 1 1 49 49 ALA HB2 H 1 1.429 0.01 . 1 . . . A 40 ALA HB2 . 18223 1 211 . 1 1 49 49 ALA HB3 H 1 1.429 0.01 . 1 . . . A 40 ALA HB3 . 18223 1 212 . 1 1 49 49 ALA C C 13 179.91 0.1 . 1 . . . A 40 ALA C . 18223 1 213 . 1 1 49 49 ALA CA C 13 55.11 0.1 . 1 . . . A 40 ALA CA . 18223 1 214 . 1 1 49 49 ALA CB C 13 18.081 0.1 . 1 . . . A 40 ALA CB . 18223 1 215 . 1 1 49 49 ALA N N 15 120.07 0.1 . 1 . . . A 40 ALA N . 18223 1 216 . 1 1 50 50 GLY H H 1 8.103 0.01 . 1 . . . A 41 GLY H . 18223 1 217 . 1 1 50 50 GLY HA2 H 1 3.906 0.01 . 2 . . . A 41 GLY HA2 . 18223 1 218 . 1 1 50 50 GLY HA3 H 1 3.906 0.01 . 2 . . . A 41 GLY HA3 . 18223 1 219 . 1 1 50 50 GLY C C 13 174.87 0.1 . 1 . . . A 41 GLY C . 18223 1 220 . 1 1 50 50 GLY CA C 13 46.925 0.1 . 1 . . . A 41 GLY CA . 18223 1 221 . 1 1 50 50 GLY N N 15 104.977 0.1 . 1 . . . A 41 GLY N . 18223 1 222 . 1 1 51 51 LEU H H 1 7.796 0.01 . 1 . . . A 42 LEU H . 18223 1 223 . 1 1 51 51 LEU CA C 13 57.33 0.1 . 1 . . . A 42 LEU CA . 18223 1 224 . 1 1 51 51 LEU CB C 13 41.805 0.1 . 1 . . . A 42 LEU CB . 18223 1 225 . 1 1 51 51 LEU N N 15 122.431 0.1 . 1 . . . A 42 LEU N . 18223 1 226 . 1 1 52 52 LEU H H 1 7.862 0.01 . 1 . . . A 43 LEU H . 18223 1 227 . 1 1 52 52 LEU C C 13 179.91 0.1 . 1 . . . A 43 LEU C . 18223 1 228 . 1 1 52 52 LEU CA C 13 57.77 0.1 . 1 . . . A 43 LEU CA . 18223 1 229 . 1 1 52 52 LEU CB C 13 41.372 0.1 . 1 . . . A 43 LEU CB . 18223 1 230 . 1 1 52 52 LEU N N 15 119.483 0.1 . 1 . . . A 43 LEU N . 18223 1 231 . 1 1 53 53 PHE H H 1 8.343 0.01 . 1 . . . A 44 PHE H . 18223 1 232 . 1 1 53 53 PHE HA H 1 4.371 0.01 . 1 . . . A 44 PHE HA . 18223 1 233 . 1 1 53 53 PHE C C 13 178.53 0.1 . 1 . . . A 44 PHE C . 18223 1 234 . 1 1 53 53 PHE CA C 13 60.15 0.1 . 1 . . . A 44 PHE CA . 18223 1 235 . 1 1 53 53 PHE CB C 13 38.128 0.1 . 1 . . . A 44 PHE CB . 18223 1 236 . 1 1 53 53 PHE N N 15 117.117 0.1 . 1 . . . A 44 PHE N . 18223 1 237 . 1 1 54 54 GLY H H 1 8.15 0.01 . 1 . . . A 45 GLY H . 18223 1 238 . 1 1 54 54 GLY HA2 H 1 3.977 0.01 . 2 . . . A 45 GLY HA2 . 18223 1 239 . 1 1 54 54 GLY HA3 H 1 3.977 0.01 . 2 . . . A 45 GLY HA3 . 18223 1 240 . 1 1 54 54 GLY C C 13 176.4 0.1 . 1 . . . A 45 GLY C . 18223 1 241 . 1 1 54 54 GLY CA C 13 46.75 0.1 . 1 . . . A 45 GLY CA . 18223 1 242 . 1 1 54 54 GLY N N 15 107.605 0.1 . 1 . . . A 45 GLY N . 18223 1 243 . 1 1 55 55 SER H H 1 7.942 0.01 . 1 . . . A 46 SER H . 18223 1 244 . 1 1 55 55 SER C C 13 176.13 0.1 . 1 . . . A 46 SER C . 18223 1 245 . 1 1 55 55 SER CA C 13 61.24 0.1 . 1 . . . A 46 SER CA . 18223 1 246 . 1 1 55 55 SER CB C 13 63.294 0.1 . 1 . . . A 46 SER CB . 18223 1 247 . 1 1 55 55 SER N N 15 117.713 0.1 . 1 . . . A 46 SER N . 18223 1 248 . 1 1 56 56 LEU H H 1 7.91 0.01 . 1 . . . A 47 LEU H . 18223 1 249 . 1 1 56 56 LEU C C 13 178.51 0.1 . 1 . . . A 47 LEU C . 18223 1 250 . 1 1 56 56 LEU CA C 13 56.76 0.1 . 1 . . . A 47 LEU CA . 18223 1 251 . 1 1 56 56 LEU CB C 13 41.156 0.1 . 1 . . . A 47 LEU CB . 18223 1 252 . 1 1 56 56 LEU CG C 13 26.918 0.1 . 1 . . . A 47 LEU CG . 18223 1 253 . 1 1 56 56 LEU N N 15 121.618 0.1 . 1 . . . A 47 LEU N . 18223 1 254 . 1 1 57 57 ALA H H 1 7.878 0.01 . 1 . . . A 48 ALA H . 18223 1 255 . 1 1 57 57 ALA HB1 H 1 1.41 0.01 . 1 . . . A 48 ALA HB1 . 18223 1 256 . 1 1 57 57 ALA HB2 H 1 1.41 0.01 . 1 . . . A 48 ALA HB2 . 18223 1 257 . 1 1 57 57 ALA HB3 H 1 1.41 0.01 . 1 . . . A 48 ALA HB3 . 18223 1 258 . 1 1 57 57 ALA C C 13 180.04 0.1 . 1 . . . A 48 ALA C . 18223 1 259 . 1 1 57 57 ALA CA C 13 54.55 0.1 . 1 . . . A 48 ALA CA . 18223 1 260 . 1 1 57 57 ALA CB C 13 18.081 0.1 . 1 . . . A 48 ALA CB . 18223 1 261 . 1 1 57 57 ALA N N 15 121.557 0.1 . 1 . . . A 48 ALA N . 18223 1 262 . 1 1 58 58 GLY H H 1 8.085 0.01 . 1 . . . A 49 GLY H . 18223 1 263 . 1 1 58 58 GLY HA2 H 1 3.79 0.01 . 2 . . . A 49 GLY HA2 . 18223 1 264 . 1 1 58 58 GLY HA3 H 1 3.79 0.01 . 2 . . . A 49 GLY HA3 . 18223 1 265 . 1 1 58 58 GLY C C 13 175.74 0.1 . 1 . . . A 49 GLY C . 18223 1 266 . 1 1 58 58 GLY CA C 13 46.28 0.1 . 1 . . . A 49 GLY CA . 18223 1 267 . 1 1 58 58 GLY N N 15 106.435 0.1 . 1 . . . A 49 GLY N . 18223 1 268 . 1 1 59 59 LEU H H 1 7.77 0.01 . 1 . . . A 50 LEU H . 18223 1 269 . 1 1 59 59 LEU C C 13 178.39 0.1 . 1 . . . A 50 LEU C . 18223 1 270 . 1 1 59 59 LEU CA C 13 56.43 0.1 . 1 . . . A 50 LEU CA . 18223 1 271 . 1 1 59 59 LEU CB C 13 41.661 0.1 . 1 . . . A 50 LEU CB . 18223 1 272 . 1 1 59 59 LEU CG C 13 27.11 0.1 . 1 . . . A 50 LEU CG . 18223 1 273 . 1 1 59 59 LEU N N 15 121.23 0.1 . 1 . . . A 50 LEU N . 18223 1 274 . 1 1 60 60 GLY H H 1 8.09 0.01 . 1 . . . A 51 GLY H . 18223 1 275 . 1 1 60 60 GLY C C 13 174.82 0.1 . 1 . . . A 51 GLY C . 18223 1 276 . 1 1 60 60 GLY CA C 13 46.29 0.1 . 1 . . . A 51 GLY CA . 18223 1 277 . 1 1 60 60 GLY N N 15 106.525 0.1 . 1 . . . A 51 GLY N . 18223 1 278 . 1 1 61 61 ALA H H 1 7.819 0.01 . 1 . . . A 52 ALA H . 18223 1 279 . 1 1 61 61 ALA HA H 1 4.102 0.01 . 1 . . . A 52 ALA HA . 18223 1 280 . 1 1 61 61 ALA HB1 H 1 1.41 0.01 . 1 . . . A 52 ALA HB1 . 18223 1 281 . 1 1 61 61 ALA HB2 H 1 1.41 0.01 . 1 . . . A 52 ALA HB2 . 18223 1 282 . 1 1 61 61 ALA HB3 H 1 1.41 0.01 . 1 . . . A 52 ALA HB3 . 18223 1 283 . 1 1 61 61 ALA C C 13 178.32 0.1 . 1 . . . A 52 ALA C . 18223 1 284 . 1 1 61 61 ALA CA C 13 53.42 0.1 . 1 . . . A 52 ALA CA . 18223 1 285 . 1 1 61 61 ALA CB C 13 18.442 0.1 . 1 . . . A 52 ALA CB . 18223 1 286 . 1 1 61 61 ALA N N 15 122.773 0.1 . 1 . . . A 52 ALA N . 18223 1 287 . 1 1 62 62 TYR H H 1 7.794 0.01 . 1 . . . A 53 TYR H . 18223 1 288 . 1 1 62 62 TYR C C 13 176.39 0.1 . 1 . . . A 53 TYR C . 18223 1 289 . 1 1 62 62 TYR CA C 13 59 0.1 . 1 . . . A 53 TYR CA . 18223 1 290 . 1 1 62 62 TYR CB C 13 38.344 0.1 . 1 . . . A 53 TYR CB . 18223 1 291 . 1 1 62 62 TYR N N 15 118.481 0.1 . 1 . . . A 53 TYR N . 18223 1 292 . 1 1 63 63 GLN H H 1 8.033 0.01 . 1 . . . A 54 GLN H . 18223 1 293 . 1 1 63 63 GLN CA C 13 56.56 0.1 . 1 . . . A 54 GLN CA . 18223 1 294 . 1 1 63 63 GLN CB C 13 28.648 0.1 . 1 . . . A 54 GLN CB . 18223 1 295 . 1 1 63 63 GLN CG C 13 34.039 0.1 . 1 . . . A 54 GLN CG . 18223 1 296 . 1 1 63 63 GLN N N 15 120.77 0.1 . 1 . . . A 54 GLN N . 18223 1 297 . 1 1 64 64 LEU H H 1 8.018 0.01 . 1 . . . A 55 LEU H . 18223 1 298 . 1 1 64 64 LEU HA H 1 4.17 0.01 . 1 . . . A 55 LEU HA . 18223 1 299 . 1 1 64 64 LEU C C 13 177.79 0.1 . 1 . . . A 55 LEU C . 18223 1 300 . 1 1 64 64 LEU CA C 13 56.01 0.1 . 1 . . . A 55 LEU CA . 18223 1 301 . 1 1 64 64 LEU CB C 13 41.805 0.1 . 1 . . . A 55 LEU CB . 18223 1 302 . 1 1 64 64 LEU CG C 13 27.367 0.1 . 1 . . . A 55 LEU CG . 18223 1 303 . 1 1 64 64 LEU N N 15 121.847 0.1 . 1 . . . A 55 LEU N . 18223 1 304 . 1 1 65 65 SER H H 1 7.892 0.01 . 1 . . . A 56 SER H . 18223 1 305 . 1 1 65 65 SER C C 13 174.71 0.1 . 1 . . . A 56 SER C . 18223 1 306 . 1 1 65 65 SER CA C 13 59.05 0.1 . 1 . . . A 56 SER CA . 18223 1 307 . 1 1 65 65 SER CB C 13 63.554 0.1 . 1 . . . A 56 SER CB . 18223 1 308 . 1 1 65 65 SER N N 15 113.937 0.1 . 1 . . . A 56 SER N . 18223 1 309 . 1 1 66 66 GLN H H 1 7.625 0.01 . 1 . . . A 57 GLN H . 18223 1 310 . 1 1 66 66 GLN HA H 1 4.243 0.01 . 1 . . . A 57 GLN HA . 18223 1 311 . 1 1 66 66 GLN C C 13 175.76 0.1 . 1 . . . A 57 GLN C . 18223 1 312 . 1 1 66 66 GLN CA C 13 55.65 0.1 . 1 . . . A 57 GLN CA . 18223 1 313 . 1 1 66 66 GLN CB C 13 29.548 0.1 . 1 . . . A 57 GLN CB . 18223 1 314 . 1 1 66 66 GLN CG C 13 33.718 0.1 . 1 . . . A 57 GLN CG . 18223 1 315 . 1 1 66 66 GLN N N 15 120.154 0.1 . 1 . . . A 57 GLN N . 18223 1 316 . 1 1 67 67 ASP H H 1 8 0.01 . 1 . . . A 58 ASP H . 18223 1 317 . 1 1 67 67 ASP CA C 13 52 0.1 . 1 . . . A 58 ASP CA . 18223 1 318 . 1 1 67 67 ASP N N 15 120.09 0.1 . 1 . . . A 58 ASP N . 18223 1 319 . 1 1 68 68 PRO C C 13 177.89 0.1 . 1 . . . A 59 PRO C . 18223 1 320 . 1 1 69 69 ARG H H 1 8.402 0.01 . 1 . . . A 60 ARG H . 18223 1 321 . 1 1 69 69 ARG C C 13 178.33 0.1 . 1 . . . A 60 ARG C . 18223 1 322 . 1 1 69 69 ARG CA C 13 58.895 0.1 . 1 . . . A 60 ARG CA . 18223 1 323 . 1 1 69 69 ARG CB C 13 29.202 0.1 . 1 . . . A 60 ARG CB . 18223 1 324 . 1 1 69 69 ARG CG C 13 27.367 0.1 . 1 . . . A 60 ARG CG . 18223 1 325 . 1 1 69 69 ARG CD C 13 43.212 0.1 . 1 . . . A 60 ARG CD . 18223 1 326 . 1 1 69 69 ARG N N 15 117.806 0.1 . 1 . . . A 60 ARG N . 18223 1 327 . 1 1 70 70 ASN H H 1 7.93 0.01 . 1 . . . A 61 ASN H . 18223 1 328 . 1 1 70 70 ASN CA C 13 55.3 0.1 . 1 . . . A 61 ASN CA . 18223 1 329 . 1 1 70 70 ASN CB C 13 38.067 0.1 . 1 . . . A 61 ASN CB . 18223 1 330 . 1 1 70 70 ASN N N 15 116.92 0.1 . 1 . . . A 61 ASN N . 18223 1 331 . 1 1 71 71 VAL H H 1 7.783 0.01 . 1 . . . A 62 VAL H . 18223 1 332 . 1 1 71 71 VAL CA C 13 65.927 0.1 . 1 . . . A 62 VAL CA . 18223 1 333 . 1 1 71 71 VAL CB C 13 30.994 0.1 . 1 . . . A 62 VAL CB . 18223 1 334 . 1 1 71 71 VAL N N 15 120.795 0.1 . 1 . . . A 62 VAL N . 18223 1 335 . 1 1 72 72 TRP H H 1 7.76 0.01 . 1 . . . A 63 TRP H . 18223 1 336 . 1 1 72 72 TRP HA H 1 4.417 0.01 . 1 . . . A 63 TRP HA . 18223 1 337 . 1 1 72 72 TRP C C 13 177.85 0.1 . 1 . . . A 63 TRP C . 18223 1 338 . 1 1 72 72 TRP CA C 13 60.13 0.1 . 1 . . . A 63 TRP CA . 18223 1 339 . 1 1 72 72 TRP CB C 13 29.313 0.1 . 1 . . . A 63 TRP CB . 18223 1 340 . 1 1 72 72 TRP N N 15 120.55 0.1 . 1 . . . A 63 TRP N . 18223 1 341 . 1 1 73 73 VAL H H 1 7.905 0.01 . 1 . . . A 64 VAL H . 18223 1 342 . 1 1 73 73 VAL C C 13 179.27 0.1 . 1 . . . A 64 VAL C . 18223 1 343 . 1 1 73 73 VAL CA C 13 66.53 0.1 . 1 . . . A 64 VAL CA . 18223 1 344 . 1 1 73 73 VAL CB C 13 31.308 0.1 . 1 . . . A 64 VAL CB . 18223 1 345 . 1 1 73 73 VAL N N 15 117.896 0.1 . 1 . . . A 64 VAL N . 18223 1 346 . 1 1 74 74 PHE H H 1 7.857 0.01 . 1 . . . A 65 PHE H . 18223 1 347 . 1 1 74 74 PHE HA H 1 4.225 0.01 . 1 . . . A 65 PHE HA . 18223 1 348 . 1 1 74 74 PHE C C 13 177.76 0.1 . 1 . . . A 65 PHE C . 18223 1 349 . 1 1 74 74 PHE CA C 13 61.29 0.1 . 1 . . . A 65 PHE CA . 18223 1 350 . 1 1 74 74 PHE CB C 13 38.56 0.1 . 1 . . . A 65 PHE CB . 18223 1 351 . 1 1 74 74 PHE N N 15 122.086 0.1 . 1 . . . A 65 PHE N . 18223 1 352 . 1 1 75 75 LEU H H 1 8.326 0.01 . 1 . . . A 66 LEU H . 18223 1 353 . 1 1 75 75 LEU C C 13 179.06 0.1 . 1 . . . A 66 LEU C . 18223 1 354 . 1 1 75 75 LEU CA C 13 57.8 0.1 . 1 . . . A 66 LEU CA . 18223 1 355 . 1 1 75 75 LEU CB C 13 41.3 0.1 . 1 . . . A 66 LEU CB . 18223 1 356 . 1 1 75 75 LEU N N 15 121.304 0.1 . 1 . . . A 66 LEU N . 18223 1 357 . 1 1 76 76 ALA H H 1 8.283 0.01 . 1 . . . A 67 ALA H . 18223 1 358 . 1 1 76 76 ALA HA H 1 4.396 0.01 . 1 . . . A 67 ALA HA . 18223 1 359 . 1 1 76 76 ALA C C 13 180.18 0.1 . 1 . . . A 67 ALA C . 18223 1 360 . 1 1 76 76 ALA CA C 13 54.59 0.1 . 1 . . . A 67 ALA CA . 18223 1 361 . 1 1 76 76 ALA N N 15 120.42 0.1 . 1 . . . A 67 ALA N . 18223 1 362 . 1 1 77 77 THR H H 1 7.951 0.01 . 1 . . . A 68 THR H . 18223 1 363 . 1 1 77 77 THR C C 13 175.83 0.1 . 1 . . . A 68 THR C . 18223 1 364 . 1 1 77 77 THR CA C 13 64.159 0.1 . 1 . . . A 68 THR CA . 18223 1 365 . 1 1 77 77 THR CB C 13 69.711 0.1 . 1 . . . A 68 THR CB . 18223 1 366 . 1 1 77 77 THR CG2 C 13 21.401 0.1 . 1 . . . A 68 THR CG2 . 18223 1 367 . 1 1 77 77 THR N N 15 111.152 0.1 . 1 . . . A 68 THR N . 18223 1 368 . 1 1 78 78 SER H H 1 7.839 0.01 . 1 . . . A 69 SER H . 18223 1 369 . 1 1 78 78 SER C C 13 176 0.1 . 1 . . . A 69 SER C . 18223 1 370 . 1 1 78 78 SER CA C 13 60.73 0.1 . 1 . . . A 69 SER CA . 18223 1 371 . 1 1 78 78 SER N N 15 117.883 0.1 . 1 . . . A 69 SER N . 18223 1 372 . 1 1 79 79 GLY H H 1 8.269 0.01 . 1 . . . A 70 GLY H . 18223 1 373 . 1 1 79 79 GLY C C 13 175.83 0.1 . 1 . . . A 70 GLY C . 18223 1 374 . 1 1 79 79 GLY CA C 13 46.71 0.1 . 1 . . . A 70 GLY CA . 18223 1 375 . 1 1 79 79 GLY N N 15 111.078 0.1 . 1 . . . A 70 GLY N . 18223 1 376 . 1 1 80 80 THR H H 1 7.823 0.01 . 1 . . . A 71 THR H . 18223 1 377 . 1 1 80 80 THR C C 13 176.11 0.1 . 1 . . . A 71 THR C . 18223 1 378 . 1 1 80 80 THR CA C 13 66.178 0.1 . 1 . . . A 71 THR CA . 18223 1 379 . 1 1 80 80 THR CB C 13 68.63 0.1 . 1 . . . A 71 THR CB . 18223 1 380 . 1 1 80 80 THR N N 15 117.727 0.1 . 1 . . . A 71 THR N . 18223 1 381 . 1 1 81 81 LEU H H 1 7.846 0.01 . 1 . . . A 72 LEU H . 18223 1 382 . 1 1 81 81 LEU C C 13 178.62 0.1 . 1 . . . A 72 LEU C . 18223 1 383 . 1 1 81 81 LEU CA C 13 57.69 0.1 . 1 . . . A 72 LEU CA . 18223 1 384 . 1 1 81 81 LEU N N 15 121.422 0.1 . 1 . . . A 72 LEU N . 18223 1 385 . 1 1 82 82 ALA H H 1 8.05 0.01 . 1 . . . A 73 ALA H . 18223 1 386 . 1 1 82 82 ALA C C 13 180.44 0.1 . 1 . . . A 73 ALA C . 18223 1 387 . 1 1 82 82 ALA CA C 13 55.18 0.1 . 1 . . . A 73 ALA CA . 18223 1 388 . 1 1 82 82 ALA CB C 13 17.865 0.1 . 1 . . . A 73 ALA CB . 18223 1 389 . 1 1 82 82 ALA N N 15 121.16 0.1 . 1 . . . A 73 ALA N . 18223 1 390 . 1 1 83 83 GLY H H 1 8.132 0.01 . 1 . . . A 74 GLY H . 18223 1 391 . 1 1 83 83 GLY CA C 13 47.01 0.1 . 1 . . . A 74 GLY CA . 18223 1 392 . 1 1 83 83 GLY N N 15 106.017 0.1 . 1 . . . A 74 GLY N . 18223 1 393 . 1 1 84 84 ILE H H 1 7.93 0.01 . 1 . . . A 75 ILE H . 18223 1 394 . 1 1 84 84 ILE C C 13 178.53 0.1 . 1 . . . A 75 ILE C . 18223 1 395 . 1 1 84 84 ILE CA C 13 64.73 0.1 . 1 . . . A 75 ILE CA . 18223 1 396 . 1 1 84 84 ILE CB C 13 37.767 0.1 . 1 . . . A 75 ILE CB . 18223 1 397 . 1 1 84 84 ILE N N 15 122.03 0.1 . 1 . . . A 75 ILE N . 18223 1 398 . 1 1 85 85 MET H H 1 8.14 0.01 . 1 . . . A 76 MET H . 18223 1 399 . 1 1 85 85 MET CA C 13 57.81 0.1 . 1 . . . A 76 MET CA . 18223 1 400 . 1 1 85 85 MET N N 15 117.92 0.1 . 1 . . . A 76 MET N . 18223 1 401 . 1 1 86 86 GLY H H 1 7.92 0.01 . 1 . . . A 77 GLY H . 18223 1 402 . 1 1 86 86 GLY CA C 13 45.771 0.1 . 1 . . . A 77 GLY CA . 18223 1 403 . 1 1 86 86 GLY N N 15 109.118 0.1 . 1 . . . A 77 GLY N . 18223 1 404 . 1 1 87 87 MET H H 1 7.95 0.01 . 1 . . . A 78 MET H . 18223 1 405 . 1 1 87 87 MET CA C 13 55.81 0.1 . 1 . . . A 78 MET CA . 18223 1 406 . 1 1 87 87 MET N N 15 119.22 0.1 . 1 . . . A 78 MET N . 18223 1 407 . 1 1 88 88 ARG H H 1 8 0.01 . 1 . . . A 79 ARG H . 18223 1 408 . 1 1 88 88 ARG CA C 13 52 0.1 . 1 . . . A 79 ARG CA . 18223 1 409 . 1 1 88 88 ARG N N 15 120.09 0.1 . 1 . . . A 79 ARG N . 18223 1 410 . 1 1 90 90 TYR C C 13 176.31 0.1 . 1 . . . A 81 TYR C . 18223 1 411 . 1 1 91 91 HIS H H 1 8.13 0.01 . 1 . . . A 82 HIS H . 18223 1 412 . 1 1 91 91 HIS C C 13 174.94 0.1 . 1 . . . A 82 HIS C . 18223 1 413 . 1 1 91 91 HIS CA C 13 55.85 0.1 . 1 . . . A 82 HIS CA . 18223 1 414 . 1 1 91 91 HIS N N 15 118.27 0.1 . 1 . . . A 82 HIS N . 18223 1 415 . 1 1 92 92 SER H H 1 8.007 0.01 . 1 . . . A 83 SER H . 18223 1 416 . 1 1 92 92 SER C C 13 175.47 0.1 . 1 . . . A 83 SER C . 18223 1 417 . 1 1 92 92 SER CA C 13 59.43 0.1 . 1 . . . A 83 SER CA . 18223 1 418 . 1 1 92 92 SER CB C 13 63.87 0.1 . 1 . . . A 83 SER CB . 18223 1 419 . 1 1 92 92 SER N N 15 115.818 0.1 . 1 . . . A 83 SER N . 18223 1 420 . 1 1 93 93 GLY H H 1 8.099 0.01 . 1 . . . A 84 GLY H . 18223 1 421 . 1 1 93 93 GLY C C 13 174.74 0.1 . 1 . . . A 84 GLY C . 18223 1 422 . 1 1 93 93 GLY CA C 13 45.93 0.1 . 1 . . . A 84 GLY CA . 18223 1 423 . 1 1 93 93 GLY N N 15 110.518 0.1 . 1 . . . A 84 GLY N . 18223 1 424 . 1 1 94 94 LYS H H 1 7.81 0.01 . 1 . . . A 85 LYS H . 18223 1 425 . 1 1 94 94 LYS CA C 13 56.443 0.1 . 1 . . . A 85 LYS CA . 18223 1 426 . 1 1 94 94 LYS CB C 13 32.359 0.1 . 1 . . . A 85 LYS CB . 18223 1 427 . 1 1 94 94 LYS N N 15 120.088 0.1 . 1 . . . A 85 LYS N . 18223 1 428 . 1 1 95 95 PHE H H 1 7.911 0.01 . 1 . . . A 86 PHE H . 18223 1 429 . 1 1 95 95 PHE CA C 13 57.81 0.1 . 1 . . . A 86 PHE CA . 18223 1 430 . 1 1 95 95 PHE CB C 13 39.281 0.1 . 1 . . . A 86 PHE CB . 18223 1 431 . 1 1 95 95 PHE N N 15 118.766 0.1 . 1 . . . A 86 PHE N . 18223 1 432 . 1 1 96 96 MET H H 1 7.67 0.01 . 1 . . . A 87 MET H . 18223 1 433 . 1 1 96 96 MET CA C 13 53.15 0.1 . 1 . . . A 87 MET CA . 18223 1 434 . 1 1 96 96 MET N N 15 120.6 0.1 . 1 . . . A 87 MET N . 18223 1 435 . 1 1 97 97 PRO C C 13 176.82 0.1 . 1 . . . A 88 PRO C . 18223 1 436 . 1 1 98 98 ALA H H 1 8.302 0.01 . 1 . . . A 89 ALA H . 18223 1 437 . 1 1 98 98 ALA C C 13 179.48 0.1 . 1 . . . A 89 ALA C . 18223 1 438 . 1 1 98 98 ALA CA C 13 53.39 0.1 . 1 . . . A 89 ALA CA . 18223 1 439 . 1 1 98 98 ALA CB C 13 18.802 0.1 . 1 . . . A 89 ALA CB . 18223 1 440 . 1 1 98 98 ALA N N 15 124.3 0.1 . 1 . . . A 89 ALA N . 18223 1 441 . 1 1 99 99 GLY H H 1 8.341 0.01 . 1 . . . A 90 GLY H . 18223 1 442 . 1 1 99 99 GLY C C 13 174.92 0.1 . 1 . . . A 90 GLY C . 18223 1 443 . 1 1 99 99 GLY CA C 13 45.88 0.1 . 1 . . . A 90 GLY CA . 18223 1 444 . 1 1 99 99 GLY N N 15 107.011 0.1 . 1 . . . A 90 GLY N . 18223 1 445 . 1 1 100 100 LEU H H 1 7.732 0.01 . 1 . . . A 91 LEU H . 18223 1 446 . 1 1 100 100 LEU C C 13 177.25 0.1 . 1 . . . A 91 LEU C . 18223 1 447 . 1 1 100 100 LEU CA C 13 56.1 0.1 . 1 . . . A 91 LEU CA . 18223 1 448 . 1 1 100 100 LEU CB C 13 42.094 0.1 . 1 . . . A 91 LEU CB . 18223 1 449 . 1 1 100 100 LEU N N 15 120.873 0.1 . 1 . . . A 91 LEU N . 18223 1 450 . 1 1 101 101 ILE H H 1 7.668 0.01 . 1 . . . A 92 ILE H . 18223 1 451 . 1 1 101 101 ILE C C 13 177.13 0.1 . 1 . . . A 92 ILE C . 18223 1 452 . 1 1 101 101 ILE CA C 13 60.914 0.1 . 1 . . . A 92 ILE CA . 18223 1 453 . 1 1 101 101 ILE CB C 13 38.128 0.1 . 1 . . . A 92 ILE CB . 18223 1 454 . 1 1 101 101 ILE N N 15 118.245 0.1 . 1 . . . A 92 ILE N . 18223 1 455 . 1 1 102 102 ALA H H 1 8.11 0.01 . 1 . . . A 93 ALA H . 18223 1 456 . 1 1 102 102 ALA C C 13 179.37 0.1 . 1 . . . A 93 ALA C . 18223 1 457 . 1 1 102 102 ALA CA C 13 52.838 0.1 . 1 . . . A 93 ALA CA . 18223 1 458 . 1 1 102 102 ALA CB C 13 19.019 0.1 . 1 . . . A 93 ALA CB . 18223 1 459 . 1 1 102 102 ALA N N 15 127.523 0.1 . 1 . . . A 93 ALA N . 18223 1 460 . 1 1 103 103 GLY H H 1 8.18 0.01 . 1 . . . A 94 GLY H . 18223 1 461 . 1 1 103 103 GLY C C 13 175.29 0.1 . 1 . . . A 94 GLY C . 18223 1 462 . 1 1 103 103 GLY CA C 13 45.42 0.1 . 1 . . . A 94 GLY CA . 18223 1 463 . 1 1 103 103 GLY N N 15 109.013 0.1 . 1 . . . A 94 GLY N . 18223 1 464 . 1 1 104 104 ALA H H 1 8.23 0.01 . 1 . . . A 95 ALA H . 18223 1 465 . 1 1 104 104 ALA HB1 H 1 1.459 0.01 . 1 . . . A 95 ALA HB1 . 18223 1 466 . 1 1 104 104 ALA HB2 H 1 1.459 0.01 . 1 . . . A 95 ALA HB2 . 18223 1 467 . 1 1 104 104 ALA HB3 H 1 1.459 0.01 . 1 . . . A 95 ALA HB3 . 18223 1 468 . 1 1 104 104 ALA C C 13 180.04 0.1 . 1 . . . A 95 ALA C . 18223 1 469 . 1 1 104 104 ALA N N 15 123.13 0.1 . 1 . . . A 95 ALA N . 18223 1 470 . 1 1 105 105 SER H H 1 7.915 0.01 . 1 . . . A 96 SER H . 18223 1 471 . 1 1 105 105 SER C C 13 176.14 0.1 . 1 . . . A 96 SER C . 18223 1 472 . 1 1 105 105 SER N N 15 114.606 0.1 . 1 . . . A 96 SER N . 18223 1 473 . 1 1 106 106 LEU H H 1 8.066 0.01 . 1 . . . A 97 LEU H . 18223 1 474 . 1 1 106 106 LEU C C 13 179.14 0.1 . 1 . . . A 97 LEU C . 18223 1 475 . 1 1 106 106 LEU N N 15 122.651 0.1 . 1 . . . A 97 LEU N . 18223 1 476 . 1 1 108 108 MET H H 1 7.682 0.01 . 1 . . . A 99 MET H . 18223 1 477 . 1 1 108 108 MET C C 13 178.83 0.1 . 1 . . . A 99 MET C . 18223 1 478 . 1 1 108 108 MET CA C 13 58.73 0.1 . 1 . . . A 99 MET CA . 18223 1 479 . 1 1 108 108 MET N N 15 118.381 0.1 . 1 . . . A 99 MET N . 18223 1 480 . 1 1 109 109 VAL H H 1 7.821 0.01 . 1 . . . A 100 VAL H . 18223 1 481 . 1 1 109 109 VAL C C 13 177.93 0.1 . 1 . . . A 100 VAL C . 18223 1 482 . 1 1 109 109 VAL CA C 13 66.23 0.1 . 1 . . . A 100 VAL CA . 18223 1 483 . 1 1 109 109 VAL N N 15 118.713 0.1 . 1 . . . A 100 VAL N . 18223 1 484 . 1 1 110 110 ALA H H 1 8.11 0.01 . 1 . . . A 101 ALA H . 18223 1 485 . 1 1 110 110 ALA C C 13 180.47 0.1 . 1 . . . A 101 ALA C . 18223 1 486 . 1 1 110 110 ALA CA C 13 55.34 0.1 . 1 . . . A 101 ALA CA . 18223 1 487 . 1 1 110 110 ALA N N 15 122.16 0.1 . 1 . . . A 101 ALA N . 18223 1 488 . 1 1 111 111 LYS H H 1 7.87 0.01 . 1 . . . A 102 LYS H . 18223 1 489 . 1 1 111 111 LYS C C 13 177.49 0.1 . 1 . . . A 102 LYS C . 18223 1 490 . 1 1 111 111 LYS CA C 13 57.49 0.1 . 1 . . . A 102 LYS CA . 18223 1 491 . 1 1 111 111 LYS N N 15 120.26 0.1 . 1 . . . A 102 LYS N . 18223 1 492 . 1 1 112 112 VAL H H 1 7.99 0.01 . 1 . . . A 103 VAL H . 18223 1 493 . 1 1 112 112 VAL C C 13 176.24 0.1 . 1 . . . A 103 VAL C . 18223 1 494 . 1 1 112 112 VAL CA C 13 65.72 0.1 . 1 . . . A 103 VAL CA . 18223 1 495 . 1 1 112 112 VAL N N 15 120.41 0.1 . 1 . . . A 103 VAL N . 18223 1 496 . 1 1 113 113 GLY H H 1 8.477 0.01 . 1 . . . A 104 GLY H . 18223 1 497 . 1 1 113 113 GLY C C 13 175.15 0.1 . 1 . . . A 104 GLY C . 18223 1 498 . 1 1 113 113 GLY CA C 13 47.65 0.1 . 1 . . . A 104 GLY CA . 18223 1 499 . 1 1 113 113 GLY N N 15 108.926 0.1 . 1 . . . A 104 GLY N . 18223 1 500 . 1 1 114 114 VAL H H 1 8.31 0.01 . 1 . . . A 105 VAL H . 18223 1 501 . 1 1 114 114 VAL C C 13 178.39 0.1 . 1 . . . A 105 VAL C . 18223 1 502 . 1 1 114 114 VAL CA C 13 66.14 0.1 . 1 . . . A 105 VAL CA . 18223 1 503 . 1 1 114 114 VAL N N 15 119.35 0.1 . 1 . . . A 105 VAL N . 18223 1 504 . 1 1 115 115 SER H H 1 7.815 0.01 . 1 . . . A 106 SER H . 18223 1 505 . 1 1 115 115 SER C C 13 177.25 0.1 . 1 . . . A 106 SER C . 18223 1 506 . 1 1 115 115 SER CA C 13 61.13 0.1 . 1 . . . A 106 SER CA . 18223 1 507 . 1 1 115 115 SER N N 15 115.964 0.1 . 1 . . . A 106 SER N . 18223 1 508 . 1 1 116 116 MET H H 1 7.82 0.01 . 1 . . . A 107 MET H . 18223 1 509 . 1 1 116 116 MET C C 13 177.19 0.1 . 1 . . . A 107 MET C . 18223 1 510 . 1 1 116 116 MET CA C 13 57.45 0.1 . 1 . . . A 107 MET CA . 18223 1 511 . 1 1 116 116 MET N N 15 120.19 0.1 . 1 . . . A 107 MET N . 18223 1 512 . 1 1 117 117 PHE H H 1 7.735 0.01 . 1 . . . A 108 PHE H . 18223 1 513 . 1 1 117 117 PHE C C 13 175.74 0.1 . 1 . . . A 108 PHE C . 18223 1 514 . 1 1 117 117 PHE CA C 13 58.87 0.1 . 1 . . . A 108 PHE CA . 18223 1 515 . 1 1 117 117 PHE N N 15 117.325 0.1 . 1 . . . A 108 PHE N . 18223 1 516 . 1 1 118 118 ASN H H 1 7.907 0.01 . 1 . . . A 109 ASN H . 18223 1 517 . 1 1 118 118 ASN C C 13 174.83 0.1 . 1 . . . A 109 ASN C . 18223 1 518 . 1 1 118 118 ASN CA C 13 53.06 0.1 . 1 . . . A 109 ASN CA . 18223 1 519 . 1 1 118 118 ASN CB C 13 39.065 0.1 . 1 . . . A 109 ASN CB . 18223 1 520 . 1 1 118 118 ASN N N 15 118.878 0.1 . 1 . . . A 109 ASN N . 18223 1 521 . 1 1 119 119 ARG H H 1 7.894 0.01 . 1 . . . A 110 ARG H . 18223 1 522 . 1 1 119 119 ARG CA C 13 54.15 0.1 . 1 . . . A 110 ARG CA . 18223 1 523 . 1 1 119 119 ARG N N 15 122.87 0.1 . 1 . . . A 110 ARG N . 18223 1 524 . 1 1 120 120 PRO C C 13 176.59 0.1 . 1 . . . A 111 PRO C . 18223 1 525 . 1 1 121 121 HIS H H 1 8.065 0.01 . 1 . . . A 112 HIS H . 18223 1 526 . 1 1 121 121 HIS CA C 13 56.86 0.1 . 1 . . . A 112 HIS CA . 18223 1 527 . 1 1 121 121 HIS N N 15 124.418 0.1 . 1 . . . A 112 HIS N . 18223 1 stop_ save_