################################### # 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_TEAD_3JUA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TEAD_3JUA _Assigned_chem_shift_list.Entry_ID 12018 _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 1 $sample_1 isotropic 12018 1 2 '3D HNCACB' 1 $sample_1 isotropic 12018 1 4 '3D HNCA' 1 $sample_1 isotropic 12018 1 6 '3D HNCO' 1 $sample_1 isotropic 12018 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 $NMRPipe . . 12018 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.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 33 33 GLU H H 1 7.323 0.020 . 1 . . . . . 33 GLU H . 12018 1 2 . 1 1 33 33 GLU CA C 13 55.212 0.3 . 1 . . . . . 33 GLU CA . 12018 1 3 . 1 1 33 33 GLU CB C 13 34.013 0.3 . 1 . . . . . 33 GLU CB . 12018 1 4 . 1 1 33 33 GLU N N 15 115.712 0.3 . 1 . . . . . 33 GLU N . 12018 1 5 . 1 1 34 34 PHE H H 1 8.655 0.020 . 1 . . . . . 34 PHE H . 12018 1 6 . 1 1 34 34 PHE CA C 13 58.828 0.3 . 1 . . . . . 34 PHE CA . 12018 1 7 . 1 1 34 34 PHE CB C 13 42.786 0.3 . 1 . . . . . 34 PHE CB . 12018 1 8 . 1 1 34 34 PHE N N 15 124.295 0.3 . 1 . . . . . 34 PHE N . 12018 1 9 . 1 1 35 35 SER H H 1 8.778 0.020 . 1 . . . . . 35 SER H . 12018 1 10 . 1 1 35 35 SER CA C 13 58.077 0.3 . 1 . . . . . 35 SER CA . 12018 1 11 . 1 1 35 35 SER CB C 13 66.128 0.3 . 1 . . . . . 35 SER CB . 12018 1 12 . 1 1 35 35 SER N N 15 122.218 0.3 . 1 . . . . . 35 SER N . 12018 1 13 . 1 1 36 36 ALA H H 1 7.985 0.020 . 1 . . . . . 36 ALA H . 12018 1 14 . 1 1 36 36 ALA CA C 13 50.863 0.3 . 1 . . . . . 36 ALA CA . 12018 1 15 . 1 1 36 36 ALA CB C 13 22.341 0.3 . 1 . . . . . 36 ALA CB . 12018 1 16 . 1 1 36 36 ALA N N 15 122.573 0.3 . 1 . . . . . 36 ALA N . 12018 1 17 . 1 1 37 37 PHE H H 1 9.049 0.020 . 1 . . . . . 37 PHE H . 12018 1 18 . 1 1 37 37 PHE CA C 13 55.931 0.3 . 1 . . . . . 37 PHE CA . 12018 1 19 . 1 1 37 37 PHE CB C 13 43.993 0.3 . 1 . . . . . 37 PHE CB . 12018 1 20 . 1 1 37 37 PHE N N 15 120.904 0.3 . 1 . . . . . 37 PHE N . 12018 1 21 . 1 1 38 38 LEU H H 1 8.775 0.020 . 1 . . . . . 38 LEU H . 12018 1 22 . 1 1 38 38 LEU CA C 13 53.606 0.3 . 1 . . . . . 38 LEU CA . 12018 1 23 . 1 1 38 38 LEU CB C 13 44.702 0.3 . 1 . . . . . 38 LEU CB . 12018 1 24 . 1 1 38 38 LEU N N 15 121.660 0.3 . 1 . . . . . 38 LEU N . 12018 1 25 . 1 1 39 39 GLU H H 1 9.921 0.020 . 1 . . . . . 39 GLU H . 12018 1 26 . 1 1 39 39 GLU CA C 13 54.810 0.3 . 1 . . . . . 39 GLU CA . 12018 1 27 . 1 1 39 39 GLU CB C 13 33.771 0.3 . 1 . . . . . 39 GLU CB . 12018 1 28 . 1 1 39 39 GLU N N 15 128.831 0.3 . 1 . . . . . 39 GLU N . 12018 1 29 . 1 1 40 40 ARG H H 1 8.821 0.020 . 1 . . . . . 40 ARG H . 12018 1 30 . 1 1 40 40 ARG CA C 13 55.065 0.3 . 1 . . . . . 40 ARG CA . 12018 1 31 . 1 1 40 40 ARG CB C 13 32.966 0.3 . 1 . . . . . 40 ARG CB . 12018 1 32 . 1 1 40 40 ARG N N 15 125.064 0.3 . 1 . . . . . 40 ARG N . 12018 1 33 . 1 1 41 41 GLN H H 1 8.491 0.020 . 1 . . . . . 41 GLN H . 12018 1 34 . 1 1 41 41 GLN CA C 13 55.322 0.3 . 1 . . . . . 41 GLN CA . 12018 1 35 . 1 1 41 41 GLN CB C 13 30.310 0.3 . 1 . . . . . 41 GLN CB . 12018 1 36 . 1 1 41 41 GLN N N 15 124.014 0.3 . 1 . . . . . 41 GLN N . 12018 1 37 . 1 1 42 42 GLN H H 1 8.624 0.020 . 1 . . . . . 42 GLN H . 12018 1 38 . 1 1 42 42 GLN CA C 13 54.766 0.3 . 1 . . . . . 42 GLN CA . 12018 1 39 . 1 1 42 42 GLN CB C 13 31.276 0.3 . 1 . . . . . 42 GLN CB . 12018 1 40 . 1 1 42 42 GLN N N 15 124.536 0.3 . 1 . . . . . 42 GLN N . 12018 1 41 . 1 1 43 43 ASP H H 1 8.154 0.020 . 1 . . . . . 43 ASP H . 12018 1 42 . 1 1 43 43 ASP CA C 13 54.730 0.3 . 1 . . . . . 43 ASP CA . 12018 1 43 . 1 1 43 43 ASP CB C 13 41.015 0.3 . 1 . . . . . 43 ASP CB . 12018 1 44 . 1 1 43 43 ASP N N 15 120.955 0.3 . 1 . . . . . 43 ASP N . 12018 1 45 . 1 1 44 44 PRO CA C 13 65.784 0.3 . 1 . . . . . 44 PRO CA . 12018 1 46 . 1 1 44 44 PRO CB C 13 31.598 0.3 . 1 . . . . . 44 PRO CB . 12018 1 47 . 1 1 45 45 ASP H H 1 8.235 0.020 . 1 . . . . . 45 ASP H . 12018 1 48 . 1 1 45 45 ASP CA C 13 54.733 0.3 . 1 . . . . . 45 ASP CA . 12018 1 49 . 1 1 45 45 ASP CB C 13 42.545 0.3 . 1 . . . . . 45 ASP CB . 12018 1 50 . 1 1 45 45 ASP N N 15 114.838 0.3 . 1 . . . . . 45 ASP N . 12018 1 51 . 1 1 46 46 THR H H 1 7.778 0.020 . 1 . . . . . 46 THR H . 12018 1 52 . 1 1 46 46 THR CA C 13 62.570 0.3 . 1 . . . . . 46 THR CA . 12018 1 53 . 1 1 46 46 THR CB C 13 70.234 0.3 . 1 . . . . . 46 THR CB . 12018 1 54 . 1 1 46 46 THR N N 15 116.503 0.3 . 1 . . . . . 46 THR N . 12018 1 55 . 1 1 47 47 TYR H H 1 8.532 0.020 . 1 . . . . . 47 TYR H . 12018 1 56 . 1 1 47 47 TYR CA C 13 57.298 0.3 . 1 . . . . . 47 TYR CA . 12018 1 57 . 1 1 47 47 TYR CB C 13 40.049 0.3 . 1 . . . . . 47 TYR CB . 12018 1 58 . 1 1 47 47 TYR N N 15 125.491 0.3 . 1 . . . . . 47 TYR N . 12018 1 59 . 1 1 48 48 ASN H H 1 8.570 0.020 . 1 . . . . . 48 ASN H . 12018 1 60 . 1 1 48 48 ASN CA C 13 52.940 0.3 . 1 . . . . . 48 ASN CA . 12018 1 61 . 1 1 48 48 ASN CB C 13 41.418 0.3 . 1 . . . . . 48 ASN CB . 12018 1 62 . 1 1 48 48 ASN N N 15 122.292 0.3 . 1 . . . . . 48 ASN N . 12018 1 63 . 1 1 49 49 LYS H H 1 8.808 0.020 . 1 . . . . . 49 LYS H . 12018 1 64 . 1 1 49 49 LYS CA C 13 55.811 0.3 . 1 . . . . . 49 LYS CA . 12018 1 65 . 1 1 49 49 LYS CB C 13 34.540 0.3 . 1 . . . . . 49 LYS CB . 12018 1 66 . 1 1 49 49 LYS N N 15 125.080 0.3 . 1 . . . . . 49 LYS N . 12018 1 67 . 1 1 50 50 HIS H H 1 9.030 0.020 . 1 . . . . . 50 HIS H . 12018 1 68 . 1 1 50 50 HIS CA C 13 55.862 0.3 . 1 . . . . . 50 HIS CA . 12018 1 69 . 1 1 50 50 HIS CB C 13 33.139 0.3 . 1 . . . . . 50 HIS CB . 12018 1 70 . 1 1 50 50 HIS N N 15 127.105 0.3 . 1 . . . . . 50 HIS N . 12018 1 71 . 1 1 51 51 LEU H H 1 8.127 0.020 . 1 . . . . . 51 LEU H . 12018 1 72 . 1 1 51 51 LEU CA C 13 53.317 0.3 . 1 . . . . . 51 LEU CA . 12018 1 73 . 1 1 51 51 LEU CB C 13 40.693 0.3 . 1 . . . . . 51 LEU CB . 12018 1 74 . 1 1 51 51 LEU N N 15 127.355 0.3 . 1 . . . . . 51 LEU N . 12018 1 75 . 1 1 52 52 PHE H H 1 8.887 0.020 . 1 . . . . . 52 PHE H . 12018 1 76 . 1 1 52 52 PHE CA C 13 61.013 0.3 . 1 . . . . . 52 PHE CA . 12018 1 77 . 1 1 52 52 PHE CB C 13 41.418 0.3 . 1 . . . . . 52 PHE CB . 12018 1 78 . 1 1 52 52 PHE N N 15 122.820 0.3 . 1 . . . . . 52 PHE N . 12018 1 79 . 1 1 53 53 VAL H H 1 7.435 0.020 . 1 . . . . . 53 VAL H . 12018 1 80 . 1 1 53 53 VAL CA C 13 59.045 0.3 . 1 . . . . . 53 VAL CA . 12018 1 81 . 1 1 53 53 VAL CB C 13 35.300 0.3 . 1 . . . . . 53 VAL CB . 12018 1 82 . 1 1 53 53 VAL N N 15 104.230 0.3 . 1 . . . . . 53 VAL N . 12018 1 83 . 1 1 66 66 TYR H H 1 7.287 0.020 . 1 . . . . . 66 TYR H . 12018 1 84 . 1 1 66 66 TYR CA C 13 61.419 0.3 . 1 . . . . . 66 TYR CA . 12018 1 85 . 1 1 66 66 TYR N N 15 117.683 0.3 . 1 . . . . . 66 TYR N . 12018 1 86 . 1 1 67 67 LEU H H 1 8.342 0.020 . 1 . . . . . 67 LEU H . 12018 1 87 . 1 1 67 67 LEU CA C 13 54.990 0.3 . 1 . . . . . 67 LEU CA . 12018 1 88 . 1 1 67 67 LEU N N 15 125.756 0.3 . 1 . . . . . 67 LEU N . 12018 1 89 . 1 1 68 68 GLU H H 1 9.113 0.020 . 1 . . . . . 68 GLU H . 12018 1 90 . 1 1 68 68 GLU CA C 13 56.845 0.3 . 1 . . . . . 68 GLU CA . 12018 1 91 . 1 1 68 68 GLU CB C 13 31.356 0.3 . 1 . . . . . 68 GLU CB . 12018 1 92 . 1 1 68 68 GLU N N 15 124.182 0.3 . 1 . . . . . 68 GLU N . 12018 1 93 . 1 1 69 69 THR H H 1 8.302 0.020 . 1 . . . . . 69 THR H . 12018 1 94 . 1 1 69 69 THR CA C 13 59.806 0.3 . 1 . . . . . 69 THR CA . 12018 1 95 . 1 1 69 69 THR CB C 13 71.602 0.3 . 1 . . . . . 69 THR CB . 12018 1 96 . 1 1 69 69 THR N N 15 110.750 0.3 . 1 . . . . . 69 THR N . 12018 1 97 . 1 1 70 70 VAL H H 1 8.560 0.020 . 1 . . . . . 70 VAL H . 12018 1 98 . 1 1 70 70 VAL CA C 13 61.072 0.3 . 1 . . . . . 70 VAL CA . 12018 1 99 . 1 1 70 70 VAL CB C 13 35.876 0.3 . 1 . . . . . 70 VAL CB . 12018 1 100 . 1 1 70 70 VAL N N 15 121.483 0.3 . 1 . . . . . 70 VAL N . 12018 1 101 . 1 1 71 71 ASP H H 1 8.167 0.020 . 1 . . . . . 71 ASP H . 12018 1 102 . 1 1 71 71 ASP CA C 13 53.328 0.3 . 1 . . . . . 71 ASP CA . 12018 1 103 . 1 1 71 71 ASP CB C 13 41.981 0.3 . 1 . . . . . 71 ASP CB . 12018 1 104 . 1 1 71 71 ASP N N 15 127.144 0.3 . 1 . . . . . 71 ASP N . 12018 1 105 . 1 1 72 72 ILE H H 1 9.018 0.020 . 1 . . . . . 72 ILE H . 12018 1 106 . 1 1 72 72 ILE CA C 13 63.446 0.3 . 1 . . . . . 72 ILE CA . 12018 1 107 . 1 1 72 72 ILE CB C 13 38.440 0.3 . 1 . . . . . 72 ILE CB . 12018 1 108 . 1 1 72 72 ILE N N 15 129.816 0.3 . 1 . . . . . 72 ILE N . 12018 1 109 . 1 1 73 73 ARG H H 1 8.363 0.020 . 1 . . . . . 73 ARG H . 12018 1 110 . 1 1 73 73 ARG CA C 13 58.202 0.3 . 1 . . . . . 73 ARG CA . 12018 1 111 . 1 1 73 73 ARG CB C 13 28.861 0.3 . 1 . . . . . 73 ARG CB . 12018 1 112 . 1 1 73 73 ARG N N 15 120.990 0.3 . 1 . . . . . 73 ARG N . 12018 1 113 . 1 1 74 74 GLN H H 1 8.052 0.020 . 1 . . . . . 74 GLN H . 12018 1 114 . 1 1 74 74 GLN CA C 13 57.198 0.3 . 1 . . . . . 74 GLN CA . 12018 1 115 . 1 1 74 74 GLN CB C 13 28.700 0.3 . 1 . . . . . 74 GLN CB . 12018 1 116 . 1 1 74 74 GLN N N 15 115.440 0.3 . 1 . . . . . 74 GLN N . 12018 1 117 . 1 1 75 75 ILE H H 1 7.549 0.020 . 1 . . . . . 75 ILE H . 12018 1 118 . 1 1 75 75 ILE CA C 13 60.281 0.3 . 1 . . . . . 75 ILE CA . 12018 1 119 . 1 1 75 75 ILE CB C 13 39.083 0.3 . 1 . . . . . 75 ILE CB . 12018 1 120 . 1 1 75 75 ILE N N 15 111.072 0.3 . 1 . . . . . 75 ILE N . 12018 1 121 . 1 1 76 76 TYR H H 1 7.273 0.020 . 1 . . . . . 76 TYR H . 12018 1 122 . 1 1 76 76 TYR CA C 13 59.089 0.3 . 1 . . . . . 76 TYR CA . 12018 1 123 . 1 1 76 76 TYR CB C 13 37.071 0.3 . 1 . . . . . 76 TYR CB . 12018 1 124 . 1 1 76 76 TYR N N 15 121.224 0.3 . 1 . . . . . 76 TYR N . 12018 1 125 . 1 1 77 77 ASP H H 1 8.600 0.020 . 1 . . . . . 77 ASP H . 12018 1 126 . 1 1 77 77 ASP CA C 13 55.879 0.3 . 1 . . . . . 77 ASP CA . 12018 1 127 . 1 1 77 77 ASP CB C 13 39.727 0.3 . 1 . . . . . 77 ASP CB . 12018 1 128 . 1 1 77 77 ASP N N 15 115.470 0.3 . 1 . . . . . 77 ASP N . 12018 1 129 . 1 1 78 78 LYS H H 1 7.753 0.020 . 1 . . . . . 78 LYS H . 12018 1 130 . 1 1 78 78 LYS CA C 13 55.932 0.3 . 1 . . . . . 78 LYS CA . 12018 1 131 . 1 1 78 78 LYS CB C 13 32.322 0.3 . 1 . . . . . 78 LYS CB . 12018 1 132 . 1 1 78 78 LYS N N 15 117.971 0.3 . 1 . . . . . 78 LYS N . 12018 1 133 . 1 1 83 83 LYS CA C 13 57.768 0.3 . 1 . . . . . 83 LYS CA . 12018 1 134 . 1 1 84 84 GLY H H 1 9.317 0.020 . 1 . . . . . 84 GLY H . 12018 1 135 . 1 1 84 84 GLY CA C 13 45.664 0.3 . 1 . . . . . 84 GLY CA . 12018 1 136 . 1 1 84 84 GLY N N 15 114.952 0.3 . 1 . . . . . 84 GLY N . 12018 1 137 . 1 1 85 85 GLY H H 1 7.862 0.020 . 1 . . . . . 85 GLY H . 12018 1 138 . 1 1 85 85 GLY CA C 13 44.149 0.3 . 1 . . . . . 85 GLY CA . 12018 1 139 . 1 1 85 85 GLY N N 15 106.153 0.3 . 1 . . . . . 85 GLY N . 12018 1 140 . 1 1 86 86 LEU H H 1 7.803 0.020 . 1 . . . . . 86 LEU H . 12018 1 141 . 1 1 86 86 LEU CA C 13 58.598 0.3 . 1 . . . . . 86 LEU CA . 12018 1 142 . 1 1 86 86 LEU CB C 13 42.142 0.3 . 1 . . . . . 86 LEU CB . 12018 1 143 . 1 1 86 86 LEU N N 15 118.618 0.3 . 1 . . . . . 86 LEU N . 12018 1 144 . 1 1 87 87 LYS H H 1 8.484 0.020 . 1 . . . . . 87 LYS H . 12018 1 145 . 1 1 87 87 LYS CA C 13 60.459 0.3 . 1 . . . . . 87 LYS CA . 12018 1 146 . 1 1 87 87 LYS CB C 13 31.806 0.3 . 1 . . . . . 87 LYS CB . 12018 1 147 . 1 1 87 87 LYS N N 15 119.246 0.3 . 1 . . . . . 87 LYS N . 12018 1 148 . 1 1 88 88 GLU H H 1 7.959 0.020 . 1 . . . . . 88 GLU H . 12018 1 149 . 1 1 88 88 GLU CA C 13 59.632 0.3 . 1 . . . . . 88 GLU CA . 12018 1 150 . 1 1 88 88 GLU CB C 13 29.183 0.3 . 1 . . . . . 88 GLU CB . 12018 1 151 . 1 1 88 88 GLU N N 15 119.056 0.3 . 1 . . . . . 88 GLU N . 12018 1 152 . 1 1 89 89 LEU H H 1 8.347 0.020 . 1 . . . . . 89 LEU H . 12018 1 153 . 1 1 89 89 LEU CA C 13 58.217 0.3 . 1 . . . . . 89 LEU CA . 12018 1 154 . 1 1 89 89 LEU CB C 13 42.062 0.3 . 1 . . . . . 89 LEU CB . 12018 1 155 . 1 1 89 89 LEU N N 15 119.268 0.3 . 1 . . . . . 89 LEU N . 12018 1 156 . 1 1 90 90 PHE H H 1 9.048 0.020 . 1 . . . . . 90 PHE H . 12018 1 157 . 1 1 90 90 PHE CA C 13 61.600 0.3 . 1 . . . . . 90 PHE CA . 12018 1 158 . 1 1 90 90 PHE CB C 13 38.520 0.3 . 1 . . . . . 90 PHE CB . 12018 1 159 . 1 1 90 90 PHE N N 15 123.034 0.3 . 1 . . . . . 90 PHE N . 12018 1 160 . 1 1 91 91 GLU H H 1 8.052 0.020 . 1 . . . . . 91 GLU H . 12018 1 161 . 1 1 91 91 GLU CA C 13 58.882 0.3 . 1 . . . . . 91 GLU CA . 12018 1 162 . 1 1 91 91 GLU CB C 13 28.781 0.3 . 1 . . . . . 91 GLU CB . 12018 1 163 . 1 1 91 91 GLU N N 15 117.756 0.3 . 1 . . . . . 91 GLU N . 12018 1 164 . 1 1 92 92 ARG H H 1 7.479 0.020 . 1 . . . . . 92 ARG H . 12018 1 165 . 1 1 92 92 ARG CA C 13 58.280 0.3 . 1 . . . . . 92 ARG CA . 12018 1 166 . 1 1 92 92 ARG CB C 13 30.551 0.3 . 1 . . . . . 92 ARG CB . 12018 1 167 . 1 1 92 92 ARG N N 15 119.104 0.3 . 1 . . . . . 92 ARG N . 12018 1 168 . 1 1 93 93 GLY H H 1 7.493 0.020 . 1 . . . . . 93 GLY H . 12018 1 169 . 1 1 93 93 GLY CA C 13 44.458 0.3 . 1 . . . . . 93 GLY CA . 12018 1 170 . 1 1 93 93 GLY N N 15 106.153 0.3 . 1 . . . . . 93 GLY N . 12018 1 171 . 1 1 97 97 ALA H H 1 7.504 0.020 . 1 . . . . . 97 ALA H . 12018 1 172 . 1 1 97 97 ALA CA C 13 51.721 0.3 . 1 . . . . . 97 ALA CA . 12018 1 173 . 1 1 97 97 ALA CB C 13 19.444 0.3 . 1 . . . . . 97 ALA CB . 12018 1 174 . 1 1 97 97 ALA N N 15 118.881 0.3 . 1 . . . . . 97 ALA N . 12018 1 175 . 1 1 98 98 PHE H H 1 7.365 0.020 . 1 . . . . . 98 PHE H . 12018 1 176 . 1 1 98 98 PHE CA C 13 58.555 0.3 . 1 . . . . . 98 PHE CA . 12018 1 177 . 1 1 98 98 PHE CB C 13 42.062 0.3 . 1 . . . . . 98 PHE CB . 12018 1 178 . 1 1 98 98 PHE N N 15 117.579 0.3 . 1 . . . . . 98 PHE N . 12018 1 179 . 1 1 104 104 TRP H H 1 9.143 0.020 . 1 . . . . . 104 TRP H . 12018 1 180 . 1 1 104 104 TRP CA C 13 58.161 0.3 . 1 . . . . . 104 TRP CA . 12018 1 181 . 1 1 104 104 TRP CB C 13 29.988 0.3 . 1 . . . . . 104 TRP CB . 12018 1 182 . 1 1 104 104 TRP N N 15 123.769 0.3 . 1 . . . . . 104 TRP N . 12018 1 183 . 1 1 105 105 ALA H H 1 9.113 0.020 . 1 . . . . . 105 ALA H . 12018 1 184 . 1 1 105 105 ALA CA C 13 51.713 0.3 . 1 . . . . . 105 ALA CA . 12018 1 185 . 1 1 105 105 ALA CB C 13 20.651 0.3 . 1 . . . . . 105 ALA CB . 12018 1 186 . 1 1 105 105 ALA N N 15 123.924 0.3 . 1 . . . . . 105 ALA N . 12018 1 187 . 1 1 106 106 ASP H H 1 9.468 0.020 . 1 . . . . . 106 ASP H . 12018 1 188 . 1 1 106 106 ASP CA C 13 53.277 0.3 . 1 . . . . . 106 ASP CA . 12018 1 189 . 1 1 106 106 ASP CB C 13 41.096 0.3 . 1 . . . . . 106 ASP CB . 12018 1 190 . 1 1 106 106 ASP N N 15 122.459 0.3 . 1 . . . . . 106 ASP N . 12018 1 191 . 1 1 107 107 LEU H H 1 9.034 0.020 . 1 . . . . . 107 LEU H . 12018 1 192 . 1 1 107 107 LEU CA C 13 53.328 0.3 . 1 . . . . . 107 LEU CA . 12018 1 193 . 1 1 107 107 LEU CB C 13 40.961 0.3 . 1 . . . . . 107 LEU CB . 12018 1 194 . 1 1 107 107 LEU N N 15 128.064 0.3 . 1 . . . . . 107 LEU N . 12018 1 195 . 1 1 108 108 ASN H H 1 9.154 0.020 . 1 . . . . . 108 ASN H . 12018 1 196 . 1 1 108 108 ASN CA C 13 53.189 0.3 . 1 . . . . . 108 ASN CA . 12018 1 197 . 1 1 108 108 ASN CB C 13 36.669 0.3 . 1 . . . . . 108 ASN CB . 12018 1 198 . 1 1 108 108 ASN N N 15 123.068 0.3 . 1 . . . . . 108 ASN N . 12018 1 199 . 1 1 109 109 THR H H 1 7.767 0.020 . 1 . . . . . 109 THR H . 12018 1 200 . 1 1 109 109 THR CA C 13 60.154 0.3 . 1 . . . . . 109 THR CA . 12018 1 201 . 1 1 109 109 THR CB C 13 68.624 0.3 . 1 . . . . . 109 THR CB . 12018 1 202 . 1 1 109 109 THR N N 15 117.173 0.3 . 1 . . . . . 109 THR N . 12018 1 203 . 1 1 116 116 SER H H 1 8.846 0.020 . 1 . . . . . 116 SER H . 12018 1 204 . 1 1 116 116 SER CA C 13 58.471 0.3 . 1 . . . . . 116 SER CA . 12018 1 205 . 1 1 116 116 SER CB C 13 63.718 0.3 . 1 . . . . . 116 SER CB . 12018 1 206 . 1 1 116 116 SER N N 15 117.686 0.3 . 1 . . . . . 116 SER N . 12018 1 207 . 1 1 117 117 ALA H H 1 8.167 0.020 . 1 . . . . . 117 ALA H . 12018 1 208 . 1 1 117 117 ALA CA C 13 52.019 0.3 . 1 . . . . . 117 ALA CA . 12018 1 209 . 1 1 117 117 ALA CB C 13 21.113 0.3 . 1 . . . . . 117 ALA CB . 12018 1 210 . 1 1 117 117 ALA N N 15 126.686 0.3 . 1 . . . . . 117 ALA N . 12018 1 211 . 1 1 118 118 PHE H H 1 8.857 0.020 . 1 . . . . . 118 PHE H . 12018 1 212 . 1 1 118 118 PHE CA C 13 57.564 0.3 . 1 . . . . . 118 PHE CA . 12018 1 213 . 1 1 118 118 PHE CB C 13 41.901 0.3 . 1 . . . . . 118 PHE CB . 12018 1 214 . 1 1 118 118 PHE N N 15 122.670 0.3 . 1 . . . . . 118 PHE N . 12018 1 215 . 1 1 119 119 TYR H H 1 8.123 0.020 . 1 . . . . . 119 TYR H . 12018 1 216 . 1 1 119 119 TYR CA C 13 55.953 0.3 . 1 . . . . . 119 TYR CA . 12018 1 217 . 1 1 119 119 TYR CB C 13 39.486 0.3 . 1 . . . . . 119 TYR CB . 12018 1 218 . 1 1 119 119 TYR N N 15 128.625 0.3 . 1 . . . . . 119 TYR N . 12018 1 219 . 1 1 120 120 GLY H H 1 8.050 0.020 . 1 . . . . . 120 GLY H . 12018 1 220 . 1 1 120 120 GLY CA C 13 45.040 0.3 . 1 . . . . . 120 GLY CA . 12018 1 221 . 1 1 120 120 GLY N N 15 110.791 0.3 . 1 . . . . . 120 GLY N . 12018 1 222 . 1 1 121 121 VAL H H 1 8.717 0.020 . 1 . . . . . 121 VAL H . 12018 1 223 . 1 1 121 121 VAL CA C 13 59.403 0.3 . 1 . . . . . 121 VAL CA . 12018 1 224 . 1 1 121 121 VAL CB C 13 35.220 0.3 . 1 . . . . . 121 VAL CB . 12018 1 225 . 1 1 121 121 VAL N N 15 116.907 0.3 . 1 . . . . . 121 VAL N . 12018 1 226 . 1 1 122 122 SER H H 1 8.850 0.020 . 1 . . . . . 122 SER H . 12018 1 227 . 1 1 122 122 SER CA C 13 56.655 0.3 . 1 . . . . . 122 SER CA . 12018 1 228 . 1 1 122 122 SER CB C 13 67.497 0.3 . 1 . . . . . 122 SER CB . 12018 1 229 . 1 1 122 122 SER N N 15 121.110 0.3 . 1 . . . . . 122 SER N . 12018 1 230 . 1 1 123 123 SER H H 1 9.375 0.020 . 1 . . . . . 123 SER H . 12018 1 231 . 1 1 123 123 SER CA C 13 57.859 0.3 . 1 . . . . . 123 SER CA . 12018 1 232 . 1 1 123 123 SER CB C 13 66.320 0.3 . 1 . . . . . 123 SER CB . 12018 1 233 . 1 1 123 123 SER N N 15 116.552 0.3 . 1 . . . . . 123 SER N . 12018 1 234 . 1 1 124 124 GLN H H 1 8.284 0.020 . 1 . . . . . 124 GLN H . 12018 1 235 . 1 1 124 124 GLN CA C 13 55.215 0.3 . 1 . . . . . 124 GLN CA . 12018 1 236 . 1 1 124 124 GLN CB C 13 33.702 0.3 . 1 . . . . . 124 GLN CB . 12018 1 237 . 1 1 124 124 GLN N N 15 119.071 0.3 . 1 . . . . . 124 GLN N . 12018 1 238 . 1 1 125 125 TYR H H 1 9.439 0.020 . 1 . . . . . 125 TYR H . 12018 1 239 . 1 1 125 125 TYR CA C 13 56.030 0.3 . 1 . . . . . 125 TYR CA . 12018 1 240 . 1 1 125 125 TYR CB C 13 42.545 0.3 . 1 . . . . . 125 TYR CB . 12018 1 241 . 1 1 125 125 TYR N N 15 122.719 0.3 . 1 . . . . . 125 TYR N . 12018 1 242 . 1 1 126 126 GLU H H 1 9.039 0.020 . 1 . . . . . 126 GLU H . 12018 1 243 . 1 1 126 126 GLU CA C 13 54.871 0.3 . 1 . . . . . 126 GLU CA . 12018 1 244 . 1 1 126 126 GLU CB C 13 34.415 0.3 . 1 . . . . . 126 GLU CB . 12018 1 245 . 1 1 126 126 GLU N N 15 122.371 0.3 . 1 . . . . . 126 GLU N . 12018 1 246 . 1 1 127 127 SER H H 1 9.271 0.020 . 1 . . . . . 127 SER H . 12018 1 247 . 1 1 127 127 SER CA C 13 55.187 0.3 . 1 . . . . . 127 SER CA . 12018 1 248 . 1 1 127 127 SER CB C 13 67.819 0.3 . 1 . . . . . 127 SER CB . 12018 1 249 . 1 1 127 127 SER N N 15 117.739 0.3 . 1 . . . . . 127 SER N . 12018 1 250 . 1 1 128 128 PRO CA C 13 63.971 0.3 . 1 . . . . . 128 PRO CA . 12018 1 251 . 1 1 128 128 PRO CB C 13 32.700 0.3 . 1 . . . . . 128 PRO CB . 12018 1 252 . 1 1 129 129 GLU H H 1 8.356 0.020 . 1 . . . . . 129 GLU H . 12018 1 253 . 1 1 129 129 GLU CA C 13 54.667 0.3 . 1 . . . . . 129 GLU CA . 12018 1 254 . 1 1 129 129 GLU CB C 13 32.725 0.3 . 1 . . . . . 129 GLU CB . 12018 1 255 . 1 1 129 129 GLU N N 15 116.420 0.3 . 1 . . . . . 129 GLU N . 12018 1 256 . 1 1 130 130 ASN H H 1 8.202 0.020 . 1 . . . . . 130 ASN H . 12018 1 257 . 1 1 130 130 ASN CA C 13 53.119 0.3 . 1 . . . . . 130 ASN CA . 12018 1 258 . 1 1 130 130 ASN CB C 13 37.796 0.3 . 1 . . . . . 130 ASN CB . 12018 1 259 . 1 1 130 130 ASN N N 15 121.694 0.3 . 1 . . . . . 130 ASN N . 12018 1 260 . 1 1 131 131 MET H H 1 7.888 0.020 . 1 . . . . . 131 MET H . 12018 1 261 . 1 1 131 131 MET CA C 13 54.274 0.3 . 1 . . . . . 131 MET CA . 12018 1 262 . 1 1 131 131 MET CB C 13 36.588 0.3 . 1 . . . . . 131 MET CB . 12018 1 263 . 1 1 131 131 MET N N 15 125.315 0.3 . 1 . . . . . 131 MET N . 12018 1 264 . 1 1 132 132 ILE H H 1 8.771 0.020 . 1 . . . . . 132 ILE H . 12018 1 265 . 1 1 132 132 ILE CA C 13 62.327 0.3 . 1 . . . . . 132 ILE CA . 12018 1 266 . 1 1 132 132 ILE CB C 13 38.601 0.3 . 1 . . . . . 132 ILE CB . 12018 1 267 . 1 1 132 132 ILE N N 15 124.261 0.3 . 1 . . . . . 132 ILE N . 12018 1 268 . 1 1 133 133 ILE H H 1 8.290 0.020 . 1 . . . . . 133 ILE H . 12018 1 269 . 1 1 133 133 ILE CA C 13 58.816 0.3 . 1 . . . . . 133 ILE CA . 12018 1 270 . 1 1 133 133 ILE CB C 13 40.371 0.3 . 1 . . . . . 133 ILE CB . 12018 1 271 . 1 1 133 133 ILE N N 15 119.285 0.3 . 1 . . . . . 133 ILE N . 12018 1 272 . 1 1 134 134 THR H H 1 8.926 0.020 . 1 . . . . . 134 THR H . 12018 1 273 . 1 1 134 134 THR CA C 13 60.807 0.3 . 1 . . . . . 134 THR CA . 12018 1 274 . 1 1 134 134 THR CB C 13 70.849 0.3 . 1 . . . . . 134 THR CB . 12018 1 275 . 1 1 134 134 THR N N 15 117.304 0.3 . 1 . . . . . 134 THR N . 12018 1 276 . 1 1 135 135 CYS H H 1 9.722 0.020 . 1 . . . . . 135 CYS H . 12018 1 277 . 1 1 135 135 CYS CA C 13 57.167 0.3 . 1 . . . . . 135 CYS CA . 12018 1 278 . 1 1 135 135 CYS CB C 13 27.734 0.3 . 1 . . . . . 135 CYS CB . 12018 1 279 . 1 1 135 135 CYS N N 15 127.065 0.3 . 1 . . . . . 135 CYS N . 12018 1 280 . 1 1 136 136 SER H H 1 9.379 0.020 . 1 . . . . . 136 SER H . 12018 1 281 . 1 1 136 136 SER CA C 13 56.932 0.3 . 1 . . . . . 136 SER CA . 12018 1 282 . 1 1 136 136 SER CB C 13 63.553 0.3 . 1 . . . . . 136 SER CB . 12018 1 283 . 1 1 136 136 SER N N 15 127.107 0.3 . 1 . . . . . 136 SER N . 12018 1 284 . 1 1 139 139 VAL H H 1 8.827 0.020 . 1 . . . . . 139 VAL H . 12018 1 285 . 1 1 139 139 VAL CA C 13 62.313 0.3 . 1 . . . . . 139 VAL CA . 12018 1 286 . 1 1 139 139 VAL CB C 13 31.759 0.3 . 1 . . . . . 139 VAL CB . 12018 1 287 . 1 1 139 139 VAL N N 15 126.487 0.3 . 1 . . . . . 139 VAL N . 12018 1 288 . 1 1 140 140 CYS H H 1 8.994 0.020 . 1 . . . . . 140 CYS H . 12018 1 289 . 1 1 140 140 CYS CA C 13 57.516 0.3 . 1 . . . . . 140 CYS CA . 12018 1 290 . 1 1 140 140 CYS CB C 13 29.987 0.3 . 1 . . . . . 140 CYS CB . 12018 1 291 . 1 1 140 140 CYS N N 15 126.243 0.3 . 1 . . . . . 140 CYS N . 12018 1 292 . 1 1 141 141 SER H H 1 8.759 0.020 . 1 . . . . . 141 SER H . 12018 1 293 . 1 1 141 141 SER CA C 13 55.982 0.3 . 1 . . . . . 141 SER CA . 12018 1 294 . 1 1 141 141 SER CB C 13 64.760 0.3 . 1 . . . . . 141 SER CB . 12018 1 295 . 1 1 141 141 SER N N 15 116.608 0.3 . 1 . . . . . 141 SER N . 12018 1 296 . 1 1 142 142 PHE H H 1 9.295 0.020 . 1 . . . . . 142 PHE H . 12018 1 297 . 1 1 142 142 PHE CA C 13 60.316 0.3 . 1 . . . . . 142 PHE CA . 12018 1 298 . 1 1 142 142 PHE CB C 13 35.864 0.3 . 1 . . . . . 142 PHE CB . 12018 1 299 . 1 1 142 142 PHE N N 15 126.616 0.3 . 1 . . . . . 142 PHE N . 12018 1 300 . 1 1 143 143 GLY H H 1 8.807 0.020 . 1 . . . . . 143 GLY H . 12018 1 301 . 1 1 143 143 GLY CA C 13 45.257 0.3 . 1 . . . . . 143 GLY CA . 12018 1 302 . 1 1 143 143 GLY N N 15 104.079 0.3 . 1 . . . . . 143 GLY N . 12018 1 303 . 1 1 144 144 LYS H H 1 7.557 0.020 . 1 . . . . . 144 LYS H . 12018 1 304 . 1 1 144 144 LYS CA C 13 54.111 0.3 . 1 . . . . . 144 LYS CA . 12018 1 305 . 1 1 144 144 LYS CB C 13 33.771 0.3 . 1 . . . . . 144 LYS CB . 12018 1 306 . 1 1 144 144 LYS N N 15 119.050 0.3 . 1 . . . . . 144 LYS N . 12018 1 307 . 1 1 145 145 GLN H H 1 8.977 0.020 . 1 . . . . . 145 GLN H . 12018 1 308 . 1 1 145 145 GLN CA C 13 57.198 0.3 . 1 . . . . . 145 GLN CA . 12018 1 309 . 1 1 145 145 GLN CB C 13 29.344 0.3 . 1 . . . . . 145 GLN CB . 12018 1 310 . 1 1 145 145 GLN N N 15 124.553 0.3 . 1 . . . . . 145 GLN N . 12018 1 311 . 1 1 152 152 THR H H 1 9.477 0.020 . 1 . . . . . 152 THR H . 12018 1 312 . 1 1 152 152 THR CA C 13 62.469 0.3 . 1 . . . . . 152 THR CA . 12018 1 313 . 1 1 152 152 THR CB C 13 70.304 0.3 . 1 . . . . . 152 THR CB . 12018 1 314 . 1 1 152 152 THR N N 15 124.162 0.3 . 1 . . . . . 152 THR N . 12018 1 315 . 1 1 153 153 GLU H H 1 9.472 0.020 . 1 . . . . . 153 GLU H . 12018 1 316 . 1 1 153 153 GLU CA C 13 55.027 0.3 . 1 . . . . . 153 GLU CA . 12018 1 317 . 1 1 153 153 GLU CB C 13 34.472 0.3 . 1 . . . . . 153 GLU CB . 12018 1 318 . 1 1 153 153 GLU N N 15 126.405 0.3 . 1 . . . . . 153 GLU N . 12018 1 319 . 1 1 154 154 TYR H H 1 8.427 0.020 . 1 . . . . . 154 TYR H . 12018 1 320 . 1 1 154 154 TYR CA C 13 56.796 0.3 . 1 . . . . . 154 TYR CA . 12018 1 321 . 1 1 154 154 TYR CB C 13 40.081 0.3 . 1 . . . . . 154 TYR CB . 12018 1 322 . 1 1 154 154 TYR N N 15 120.150 0.3 . 1 . . . . . 154 TYR N . 12018 1 323 . 1 1 155 155 ALA H H 1 8.613 0.020 . 1 . . . . . 155 ALA H . 12018 1 324 . 1 1 155 155 ALA CA C 13 52.526 0.3 . 1 . . . . . 155 ALA CA . 12018 1 325 . 1 1 155 155 ALA CB C 13 20.812 0.3 . 1 . . . . . 155 ALA CB . 12018 1 326 . 1 1 155 155 ALA N N 15 123.979 0.3 . 1 . . . . . 155 ALA N . 12018 1 327 . 1 1 156 156 ARG H H 1 8.908 0.020 . 1 . . . . . 156 ARG H . 12018 1 328 . 1 1 156 156 ARG CA C 13 54.742 0.3 . 1 . . . . . 156 ARG CA . 12018 1 329 . 1 1 156 156 ARG CB C 13 31.759 0.3 . 1 . . . . . 156 ARG CB . 12018 1 330 . 1 1 156 156 ARG N N 15 121.269 0.3 . 1 . . . . . 156 ARG N . 12018 1 331 . 1 1 157 157 TYR H H 1 8.856 0.020 . 1 . . . . . 157 TYR H . 12018 1 332 . 1 1 157 157 TYR CA C 13 57.355 0.3 . 1 . . . . . 157 TYR CA . 12018 1 333 . 1 1 157 157 TYR CB C 13 38.292 0.3 . 1 . . . . . 157 TYR CB . 12018 1 334 . 1 1 157 157 TYR N N 15 126.969 0.3 . 1 . . . . . 157 TYR N . 12018 1 335 . 1 1 158 158 GLU H H 1 8.591 0.020 . 1 . . . . . 158 GLU H . 12018 1 336 . 1 1 158 158 GLU CA C 13 55.745 0.3 . 1 . . . . . 158 GLU CA . 12018 1 337 . 1 1 158 158 GLU CB C 13 32.000 0.3 . 1 . . . . . 158 GLU CB . 12018 1 338 . 1 1 158 158 GLU N N 15 129.152 0.3 . 1 . . . . . 158 GLU N . 12018 1 339 . 1 1 159 159 ASN CA C 13 54.202 0.3 . 1 . . . . . 159 ASN CA . 12018 1 340 . 1 1 159 159 ASN CB C 13 37.680 0.3 . 1 . . . . . 159 ASN CB . 12018 1 341 . 1 1 160 160 GLY H H 1 6.838 0.020 . 1 . . . . . 160 GLY H . 12018 1 342 . 1 1 160 160 GLY CA C 13 45.399 0.3 . 1 . . . . . 160 GLY CA . 12018 1 343 . 1 1 160 160 GLY N N 15 102.180 0.3 . 1 . . . . . 160 GLY N . 12018 1 344 . 1 1 161 161 HIS H H 1 7.310 0.020 . 1 . . . . . 161 HIS H . 12018 1 345 . 1 1 161 161 HIS CA C 13 54.323 0.3 . 1 . . . . . 161 HIS CA . 12018 1 346 . 1 1 161 161 HIS CB C 13 31.678 0.3 . 1 . . . . . 161 HIS CB . 12018 1 347 . 1 1 161 161 HIS N N 15 118.635 0.3 . 1 . . . . . 161 HIS N . 12018 1 348 . 1 1 162 162 TYR H H 1 8.794 0.020 . 1 . . . . . 162 TYR H . 12018 1 349 . 1 1 162 162 TYR CA C 13 58.785 0.3 . 1 . . . . . 162 TYR CA . 12018 1 350 . 1 1 162 162 TYR CB C 13 38.359 0.3 . 1 . . . . . 162 TYR CB . 12018 1 351 . 1 1 162 162 TYR N N 15 119.271 0.3 . 1 . . . . . 162 TYR N . 12018 1 352 . 1 1 163 163 LEU H H 1 8.988 0.020 . 1 . . . . . 163 LEU H . 12018 1 353 . 1 1 163 163 LEU CA C 13 53.385 0.3 . 1 . . . . . 163 LEU CA . 12018 1 354 . 1 1 163 163 LEU CB C 13 45.120 0.3 . 1 . . . . . 163 LEU CB . 12018 1 355 . 1 1 163 163 LEU N N 15 124.941 0.3 . 1 . . . . . 163 LEU N . 12018 1 356 . 1 1 164 164 TYR H H 1 9.082 0.020 . 1 . . . . . 164 TYR H . 12018 1 357 . 1 1 164 164 TYR CA C 13 55.972 0.3 . 1 . . . . . 164 TYR CA . 12018 1 358 . 1 1 164 164 TYR CB C 13 40.210 0.3 . 1 . . . . . 164 TYR CB . 12018 1 359 . 1 1 164 164 TYR N N 15 121.591 0.3 . 1 . . . . . 164 TYR N . 12018 1 360 . 1 1 166 166 ILE H H 1 8.851 0.020 . 1 . . . . . 166 ILE H . 12018 1 361 . 1 1 166 166 ILE CA C 13 61.599 0.3 . 1 . . . . . 166 ILE CA . 12018 1 362 . 1 1 166 166 ILE CB C 13 37.152 0.3 . 1 . . . . . 166 ILE CB . 12018 1 363 . 1 1 166 166 ILE N N 15 127.534 0.3 . 1 . . . . . 166 ILE N . 12018 1 364 . 1 1 167 167 HIS H H 1 9.039 0.020 . 1 . . . . . 167 HIS H . 12018 1 365 . 1 1 167 167 HIS CA C 13 56.205 0.3 . 1 . . . . . 167 HIS CA . 12018 1 366 . 1 1 167 167 HIS N N 15 128.201 0.3 . 1 . . . . . 167 HIS N . 12018 1 367 . 1 1 168 168 ARG H H 1 9.101 0.020 . 1 . . . . . 168 ARG H . 12018 1 368 . 1 1 168 168 ARG CA C 13 57.465 0.3 . 1 . . . . . 168 ARG CA . 12018 1 369 . 1 1 168 168 ARG CB C 13 33.537 0.3 . 1 . . . . . 168 ARG CB . 12018 1 370 . 1 1 168 168 ARG N N 15 125.280 0.3 . 1 . . . . . 168 ARG N . 12018 1 371 . 1 1 169 169 SER H H 1 8.880 0.020 . 1 . . . . . 169 SER H . 12018 1 372 . 1 1 169 169 SER CA C 13 56.570 0.3 . 1 . . . . . 169 SER CA . 12018 1 373 . 1 1 169 169 SER N N 15 119.039 0.3 . 1 . . . . . 169 SER N . 12018 1 374 . 1 1 176 176 ILE H H 1 7.734 0.020 . 1 . . . . . 176 ILE H . 12018 1 375 . 1 1 176 176 ILE CA C 13 66.333 0.3 . 1 . . . . . 176 ILE CA . 12018 1 376 . 1 1 176 176 ILE CB C 13 37.432 0.3 . 1 . . . . . 176 ILE CB . 12018 1 377 . 1 1 176 176 ILE N N 15 122.145 0.3 . 1 . . . . . 176 ILE N . 12018 1 378 . 1 1 177 177 ASN H H 1 8.190 0.020 . 1 . . . . . 177 ASN H . 12018 1 379 . 1 1 177 177 ASN CA C 13 56.226 0.3 . 1 . . . . . 177 ASN CA . 12018 1 380 . 1 1 177 177 ASN CB C 13 41.820 0.3 . 1 . . . . . 177 ASN CB . 12018 1 381 . 1 1 177 177 ASN N N 15 117.228 0.3 . 1 . . . . . 177 ASN N . 12018 1 382 . 1 1 178 178 PHE H H 1 8.175 0.020 . 1 . . . . . 178 PHE H . 12018 1 383 . 1 1 178 178 PHE CA C 13 61.365 0.3 . 1 . . . . . 178 PHE CA . 12018 1 384 . 1 1 178 178 PHE N N 15 123.118 0.3 . 1 . . . . . 178 PHE N . 12018 1 385 . 1 1 179 179 ILE H H 1 7.937 0.020 . 1 . . . . . 179 ILE H . 12018 1 386 . 1 1 179 179 ILE CA C 13 66.336 0.3 . 1 . . . . . 179 ILE CA . 12018 1 387 . 1 1 179 179 ILE CB C 13 37.393 0.3 . 1 . . . . . 179 ILE CB . 12018 1 388 . 1 1 179 179 ILE N N 15 119.936 0.3 . 1 . . . . . 179 ILE N . 12018 1 389 . 1 1 180 180 HIS H H 1 7.822 0.020 . 1 . . . . . 180 HIS H . 12018 1 390 . 1 1 180 180 HIS CA C 13 60.318 0.3 . 1 . . . . . 180 HIS CA . 12018 1 391 . 1 1 180 180 HIS CB C 13 29.908 0.3 . 1 . . . . . 180 HIS CB . 12018 1 392 . 1 1 180 180 HIS N N 15 118.362 0.3 . 1 . . . . . 180 HIS N . 12018 1 393 . 1 1 181 181 LYS H H 1 8.113 0.020 . 1 . . . . . 181 LYS H . 12018 1 394 . 1 1 181 181 LYS CA C 13 59.250 0.3 . 1 . . . . . 181 LYS CA . 12018 1 395 . 1 1 181 181 LYS CB C 13 31.437 0.3 . 1 . . . . . 181 LYS CB . 12018 1 396 . 1 1 181 181 LYS N N 15 119.450 0.3 . 1 . . . . . 181 LYS N . 12018 1 397 . 1 1 182 182 LEU H H 1 7.861 0.020 . 1 . . . . . 182 LEU H . 12018 1 398 . 1 1 182 182 LEU CA C 13 57.677 0.3 . 1 . . . . . 182 LEU CA . 12018 1 399 . 1 1 182 182 LEU CB C 13 41.960 0.3 . 1 . . . . . 182 LEU CB . 12018 1 400 . 1 1 182 182 LEU N N 15 120.238 0.3 . 1 . . . . . 182 LEU N . 12018 1 401 . 1 1 183 183 LYS H H 1 7.759 0.020 . 1 . . . . . 183 LYS H . 12018 1 402 . 1 1 183 183 LYS CA C 13 57.480 0.3 . 1 . . . . . 183 LYS CA . 12018 1 403 . 1 1 183 183 LYS CB C 13 30.632 0.3 . 1 . . . . . 183 LYS CB . 12018 1 404 . 1 1 183 183 LYS N N 15 114.348 0.3 . 1 . . . . . 183 LYS N . 12018 1 405 . 1 1 184 184 HIS H H 1 7.366 0.020 . 1 . . . . . 184 HIS H . 12018 1 406 . 1 1 184 184 HIS CA C 13 56.720 0.3 . 1 . . . . . 184 HIS CA . 12018 1 407 . 1 1 184 184 HIS CB C 13 29.908 0.3 . 1 . . . . . 184 HIS CB . 12018 1 408 . 1 1 184 184 HIS N N 15 115.787 0.3 . 1 . . . . . 184 HIS N . 12018 1 409 . 1 1 185 185 LEU H H 1 7.505 0.020 . 1 . . . . . 185 LEU H . 12018 1 410 . 1 1 185 185 LEU CA C 13 53.358 0.3 . 1 . . . . . 185 LEU CA . 12018 1 411 . 1 1 185 185 LEU CB C 13 40.854 0.3 . 1 . . . . . 185 LEU CB . 12018 1 412 . 1 1 185 185 LEU N N 15 123.663 0.3 . 1 . . . . . 185 LEU N . 12018 1 413 . 1 1 190 190 MET H H 1 6.912 0.020 . 1 . . . . . 190 MET H . 12018 1 414 . 1 1 190 190 MET CA C 13 57.999 0.3 . 1 . . . . . 190 MET CA . 12018 1 415 . 1 1 190 190 MET CB C 13 32.966 0.3 . 1 . . . . . 190 MET CB . 12018 1 416 . 1 1 190 190 MET N N 15 121.210 0.3 . 1 . . . . . 190 MET N . 12018 1 417 . 1 1 191 191 MET H H 1 7.461 0.020 . 1 . . . . . 191 MET H . 12018 1 418 . 1 1 191 191 MET CA C 13 59.388 0.3 . 1 . . . . . 191 MET CA . 12018 1 419 . 1 1 191 191 MET CB C 13 32.725 0.3 . 1 . . . . . 191 MET CB . 12018 1 420 . 1 1 191 191 MET N N 15 119.162 0.3 . 1 . . . . . 191 MET N . 12018 1 421 . 1 1 192 192 ASN H H 1 8.330 0.020 . 1 . . . . . 192 ASN H . 12018 1 422 . 1 1 192 192 ASN CA C 13 56.307 0.3 . 1 . . . . . 192 ASN CA . 12018 1 423 . 1 1 192 192 ASN CB C 13 37.474 0.3 . 1 . . . . . 192 ASN CB . 12018 1 424 . 1 1 192 192 ASN N N 15 117.369 0.3 . 1 . . . . . 192 ASN N . 12018 1 425 . 1 1 193 193 SER H H 1 7.872 0.020 . 1 . . . . . 193 SER H . 12018 1 426 . 1 1 193 193 SER CA C 13 61.901 0.3 . 1 . . . . . 193 SER CA . 12018 1 427 . 1 1 193 193 SER CB C 13 62.823 0.3 . 1 . . . . . 193 SER CB . 12018 1 428 . 1 1 193 193 SER N N 15 116.194 0.3 . 1 . . . . . 193 SER N . 12018 1 429 . 1 1 194 194 VAL H H 1 7.506 0.020 . 1 . . . . . 194 VAL H . 12018 1 430 . 1 1 194 194 VAL CA C 13 66.056 0.3 . 1 . . . . . 194 VAL CA . 12018 1 431 . 1 1 194 194 VAL CB C 13 31.276 0.3 . 1 . . . . . 194 VAL CB . 12018 1 432 . 1 1 194 194 VAL N N 15 122.045 0.3 . 1 . . . . . 194 VAL N . 12018 1 433 . 1 1 195 195 LEU H H 1 8.234 0.020 . 1 . . . . . 195 LEU H . 12018 1 434 . 1 1 195 195 LEU CA C 13 57.122 0.3 . 1 . . . . . 195 LEU CA . 12018 1 435 . 1 1 195 195 LEU CB C 13 41.176 0.3 . 1 . . . . . 195 LEU CB . 12018 1 436 . 1 1 195 195 LEU N N 15 119.506 0.3 . 1 . . . . . 195 LEU N . 12018 1 437 . 1 1 196 196 GLU H H 1 7.923 0.020 . 1 . . . . . 196 GLU H . 12018 1 438 . 1 1 196 196 GLU CA C 13 59.367 0.3 . 1 . . . . . 196 GLU CA . 12018 1 439 . 1 1 196 196 GLU CB C 13 29.560 0.3 . 1 . . . . . 196 GLU CB . 12018 1 440 . 1 1 196 196 GLU N N 15 120.667 0.3 . 1 . . . . . 196 GLU N . 12018 1 441 . 1 1 197 197 ASN H H 1 7.137 0.020 . 1 . . . . . 197 ASN H . 12018 1 442 . 1 1 197 197 ASN CA C 13 52.476 0.3 . 1 . . . . . 197 ASN CA . 12018 1 443 . 1 1 197 197 ASN CB C 13 39.258 0.3 . 1 . . . . . 197 ASN CB . 12018 1 444 . 1 1 197 197 ASN N N 15 113.035 0.3 . 1 . . . . . 197 ASN N . 12018 1 445 . 1 1 198 198 PHE H H 1 7.807 0.020 . 1 . . . . . 198 PHE H . 12018 1 446 . 1 1 198 198 PHE CA C 13 57.541 0.3 . 1 . . . . . 198 PHE CA . 12018 1 447 . 1 1 198 198 PHE CB C 13 42.223 0.3 . 1 . . . . . 198 PHE CB . 12018 1 448 . 1 1 198 198 PHE N N 15 126.194 0.3 . 1 . . . . . 198 PHE N . 12018 1 449 . 1 1 199 199 THR H H 1 8.394 0.020 . 1 . . . . . 199 THR H . 12018 1 450 . 1 1 199 199 THR CA C 13 59.217 0.3 . 1 . . . . . 199 THR CA . 12018 1 451 . 1 1 199 199 THR CB C 13 72.568 0.3 . 1 . . . . . 199 THR CB . 12018 1 452 . 1 1 199 199 THR N N 15 117.767 0.3 . 1 . . . . . 199 THR N . 12018 1 453 . 1 1 200 200 ILE H H 1 8.375 0.020 . 1 . . . . . 200 ILE H . 12018 1 454 . 1 1 200 200 ILE CA C 13 61.127 0.3 . 1 . . . . . 200 ILE CA . 12018 1 455 . 1 1 200 200 ILE CB C 13 38.440 0.3 . 1 . . . . . 200 ILE CB . 12018 1 456 . 1 1 200 200 ILE N N 15 121.588 0.3 . 1 . . . . . 200 ILE N . 12018 1 457 . 1 1 205 205 THR H H 1 9.301 0.020 . 1 . . . . . 205 THR H . 12018 1 458 . 1 1 205 205 THR CA C 13 59.850 0.3 . 1 . . . . . 205 THR CA . 12018 1 459 . 1 1 205 205 THR CB C 13 72.085 0.3 . 1 . . . . . 205 THR CB . 12018 1 460 . 1 1 205 205 THR N N 15 121.341 0.3 . 1 . . . . . 205 THR N . 12018 1 461 . 1 1 206 206 ASN H H 1 8.076 0.020 . 1 . . . . . 206 ASN H . 12018 1 462 . 1 1 206 206 ASN CA C 13 52.756 0.3 . 1 . . . . . 206 ASN CA . 12018 1 463 . 1 1 206 206 ASN CB C 13 39.244 0.3 . 1 . . . . . 206 ASN CB . 12018 1 464 . 1 1 206 206 ASN N N 15 120.819 0.3 . 1 . . . . . 206 ASN N . 12018 1 465 . 1 1 207 207 ARG H H 1 9.164 0.020 . 1 . . . . . 207 ARG H . 12018 1 466 . 1 1 207 207 ARG CA C 13 59.448 0.3 . 1 . . . . . 207 ARG CA . 12018 1 467 . 1 1 207 207 ARG CB C 13 30.471 0.3 . 1 . . . . . 207 ARG CB . 12018 1 468 . 1 1 207 207 ARG N N 15 130.086 0.3 . 1 . . . . . 207 ARG N . 12018 1 469 . 1 1 208 208 ASP H H 1 7.962 0.020 . 1 . . . . . 208 ASP H . 12018 1 470 . 1 1 208 208 ASP CA C 13 56.948 0.3 . 1 . . . . . 208 ASP CA . 12018 1 471 . 1 1 208 208 ASP CB C 13 41.820 0.3 . 1 . . . . . 208 ASP CB . 12018 1 472 . 1 1 208 208 ASP N N 15 114.556 0.3 . 1 . . . . . 208 ASP N . 12018 1 473 . 1 1 209 209 THR H H 1 7.277 0.020 . 1 . . . . . 209 THR H . 12018 1 474 . 1 1 209 209 THR CA C 13 61.670 0.3 . 1 . . . . . 209 THR CA . 12018 1 475 . 1 1 209 209 THR CB C 13 70.475 0.3 . 1 . . . . . 209 THR CB . 12018 1 476 . 1 1 209 209 THR N N 15 107.841 0.3 . 1 . . . . . 209 THR N . 12018 1 477 . 1 1 210 210 GLN H H 1 8.532 0.020 . 1 . . . . . 210 GLN H . 12018 1 478 . 1 1 210 210 GLN CA C 13 57.796 0.3 . 1 . . . . . 210 GLN CA . 12018 1 479 . 1 1 210 210 GLN CB C 13 25.942 0.3 . 1 . . . . . 210 GLN CB . 12018 1 480 . 1 1 210 210 GLN N N 15 115.541 0.3 . 1 . . . . . 210 GLN N . 12018 1 481 . 1 1 211 211 GLU H H 1 7.785 0.020 . 1 . . . . . 211 GLU H . 12018 1 482 . 1 1 211 211 GLU CA C 13 56.725 0.3 . 1 . . . . . 211 GLU CA . 12018 1 483 . 1 1 211 211 GLU CB C 13 30.733 0.3 . 1 . . . . . 211 GLU CB . 12018 1 484 . 1 1 211 211 GLU N N 15 121.166 0.3 . 1 . . . . . 211 GLU N . 12018 1 485 . 1 1 212 212 THR H H 1 9.148 0.020 . 1 . . . . . 212 THR H . 12018 1 486 . 1 1 212 212 THR CA C 13 63.916 0.3 . 1 . . . . . 212 THR CA . 12018 1 487 . 1 1 212 212 THR CB C 13 67.980 0.3 . 1 . . . . . 212 THR CB . 12018 1 488 . 1 1 212 212 THR N N 15 124.561 0.3 . 1 . . . . . 212 THR N . 12018 1 489 . 1 1 213 213 LEU H H 1 9.147 0.020 . 1 . . . . . 213 LEU H . 12018 1 490 . 1 1 213 213 LEU CA C 13 55.168 0.3 . 1 . . . . . 213 LEU CA . 12018 1 491 . 1 1 213 213 LEU CB C 13 43.041 0.3 . 1 . . . . . 213 LEU CB . 12018 1 492 . 1 1 213 213 LEU N N 15 128.530 0.3 . 1 . . . . . 213 LEU N . 12018 1 493 . 1 1 220 220 PHE H H 1 9.657 0.020 . 1 . . . . . 220 PHE H . 12018 1 494 . 1 1 220 220 PHE CA C 13 58.833 0.3 . 1 . . . . . 220 PHE CA . 12018 1 495 . 1 1 220 220 PHE CB C 13 46.006 0.3 . 1 . . . . . 220 PHE CB . 12018 1 496 . 1 1 220 220 PHE N N 15 117.993 0.3 . 1 . . . . . 220 PHE N . 12018 1 497 . 1 1 221 221 GLU H H 1 8.884 0.020 . 1 . . . . . 221 GLU H . 12018 1 498 . 1 1 221 221 GLU CA C 13 55.928 0.3 . 1 . . . . . 221 GLU CA . 12018 1 499 . 1 1 221 221 GLU CB C 13 35.100 0.3 . 1 . . . . . 221 GLU CB . 12018 1 500 . 1 1 221 221 GLU N N 15 121.084 0.3 . 1 . . . . . 221 GLU N . 12018 1 501 . 1 1 222 222 VAL H H 1 9.337 0.020 . 1 . . . . . 222 VAL H . 12018 1 502 . 1 1 222 222 VAL CA C 13 62.518 0.3 . 1 . . . . . 222 VAL CA . 12018 1 503 . 1 1 222 222 VAL CB C 13 32.886 0.3 . 1 . . . . . 222 VAL CB . 12018 1 504 . 1 1 222 222 VAL N N 15 120.255 0.3 . 1 . . . . . 222 VAL N . 12018 1 505 . 1 1 223 223 SER H H 1 9.266 0.020 . 1 . . . . . 223 SER H . 12018 1 506 . 1 1 223 223 SER CA C 13 59.322 0.3 . 1 . . . . . 223 SER CA . 12018 1 507 . 1 1 223 223 SER CB C 13 63.714 0.3 . 1 . . . . . 223 SER CB . 12018 1 508 . 1 1 223 223 SER N N 15 120.147 0.3 . 1 . . . . . 223 SER N . 12018 1 509 . 1 1 227 227 HIS H H 1 7.938 0.020 . 1 . . . . . 227 HIS H . 12018 1 510 . 1 1 227 227 HIS CA C 13 55.987 0.3 . 1 . . . . . 227 HIS CA . 12018 1 511 . 1 1 227 227 HIS CB C 13 31.598 0.3 . 1 . . . . . 227 HIS CB . 12018 1 512 . 1 1 227 227 HIS N N 15 116.349 0.3 . 1 . . . . . 227 HIS N . 12018 1 513 . 1 1 228 228 GLY H H 1 8.261 0.020 . 1 . . . . . 228 GLY H . 12018 1 514 . 1 1 228 228 GLY CA C 13 45.042 0.3 . 1 . . . . . 228 GLY CA . 12018 1 515 . 1 1 228 228 GLY N N 15 110.870 0.3 . 1 . . . . . 228 GLY N . 12018 1 516 . 1 1 229 229 ALA H H 1 8.602 0.020 . 1 . . . . . 229 ALA H . 12018 1 517 . 1 1 229 229 ALA CA C 13 51.962 0.3 . 1 . . . . . 229 ALA CA . 12018 1 518 . 1 1 229 229 ALA CB C 13 21.134 0.3 . 1 . . . . . 229 ALA CB . 12018 1 519 . 1 1 229 229 ALA N N 15 125.737 0.3 . 1 . . . . . 229 ALA N . 12018 1 520 . 1 1 230 230 GLN H H 1 8.901 0.020 . 1 . . . . . 230 GLN H . 12018 1 521 . 1 1 230 230 GLN CA C 13 55.327 0.3 . 1 . . . . . 230 GLN CA . 12018 1 522 . 1 1 230 230 GLN CB C 13 32.966 0.3 . 1 . . . . . 230 GLN CB . 12018 1 523 . 1 1 230 230 GLN N N 15 118.669 0.3 . 1 . . . . . 230 GLN N . 12018 1 524 . 1 1 231 231 HIS H H 1 8.787 0.020 . 1 . . . . . 231 HIS H . 12018 1 525 . 1 1 231 231 HIS CA C 13 56.451 0.3 . 1 . . . . . 231 HIS CA . 12018 1 526 . 1 1 231 231 HIS CB C 13 33.691 0.3 . 1 . . . . . 231 HIS CB . 12018 1 527 . 1 1 231 231 HIS N N 15 119.307 0.3 . 1 . . . . . 231 HIS N . 12018 1 528 . 1 1 232 232 HIS H H 1 9.314 0.020 . 1 . . . . . 232 HIS H . 12018 1 529 . 1 1 232 232 HIS CA C 13 55.835 0.3 . 1 . . . . . 232 HIS CA . 12018 1 530 . 1 1 232 232 HIS CB C 13 34.690 0.3 . 1 . . . . . 232 HIS CB . 12018 1 531 . 1 1 232 232 HIS N N 15 121.269 0.3 . 1 . . . . . 232 HIS N . 12018 1 532 . 1 1 233 233 ILE H H 1 8.272 0.020 . 1 . . . . . 233 ILE H . 12018 1 533 . 1 1 233 233 ILE CA C 13 61.275 0.3 . 1 . . . . . 233 ILE CA . 12018 1 534 . 1 1 233 233 ILE CB C 13 39.888 0.3 . 1 . . . . . 233 ILE CB . 12018 1 535 . 1 1 233 233 ILE N N 15 125.280 0.3 . 1 . . . . . 233 ILE N . 12018 1 536 . 1 1 234 234 TYR H H 1 9.702 0.020 . 1 . . . . . 234 TYR H . 12018 1 537 . 1 1 234 234 TYR CA C 13 55.947 0.3 . 1 . . . . . 234 TYR CA . 12018 1 538 . 1 1 234 234 TYR CB C 13 42.062 0.3 . 1 . . . . . 234 TYR CB . 12018 1 539 . 1 1 234 234 TYR N N 15 123.687 0.3 . 1 . . . . . 234 TYR N . 12018 1 540 . 1 1 235 235 ARG H H 1 8.984 0.020 . 1 . . . . . 235 ARG H . 12018 1 541 . 1 1 235 235 ARG CA C 13 56.193 0.3 . 1 . . . . . 235 ARG CA . 12018 1 542 . 1 1 235 235 ARG CB C 13 31.434 0.3 . 1 . . . . . 235 ARG CB . 12018 1 543 . 1 1 235 235 ARG N N 15 122.291 0.3 . 1 . . . . . 235 ARG N . 12018 1 544 . 1 1 236 236 LEU H H 1 7.417 0.020 . 1 . . . . . 236 LEU H . 12018 1 545 . 1 1 236 236 LEU CA C 13 54.121 0.3 . 1 . . . . . 236 LEU CA . 12018 1 546 . 1 1 236 236 LEU CB C 13 42.947 0.3 . 1 . . . . . 236 LEU CB . 12018 1 547 . 1 1 236 236 LEU N N 15 125.140 0.3 . 1 . . . . . 236 LEU N . 12018 1 548 . 1 1 237 237 VAL H H 1 8.267 0.020 . 1 . . . . . 237 VAL H . 12018 1 549 . 1 1 237 237 VAL CA C 13 58.920 0.3 . 1 . . . . . 237 VAL CA . 12018 1 550 . 1 1 237 237 VAL CB C 13 35.703 0.3 . 1 . . . . . 237 VAL CB . 12018 1 551 . 1 1 237 237 VAL N N 15 114.381 0.3 . 1 . . . . . 237 VAL N . 12018 1 552 . 1 1 238 238 LYS H H 1 8.459 0.020 . 1 . . . . . 238 LYS H . 12018 1 553 . 1 1 238 238 LYS CA C 13 56.468 0.3 . 1 . . . . . 238 LYS CA . 12018 1 554 . 1 1 238 238 LYS CB C 13 33.932 0.3 . 1 . . . . . 238 LYS CB . 12018 1 555 . 1 1 238 238 LYS N N 15 121.377 0.3 . 1 . . . . . 238 LYS N . 12018 1 556 . 1 1 239 239 GLU H H 1 8.159 0.020 . 1 . . . . . 239 GLU H . 12018 1 557 . 1 1 239 239 GLU CA C 13 58.099 0.3 . 1 . . . . . 239 GLU CA . 12018 1 558 . 1 1 239 239 GLU CB C 13 30.793 0.3 . 1 . . . . . 239 GLU CB . 12018 1 559 . 1 1 239 239 GLU N N 15 130.273 0.3 . 1 . . . . . 239 GLU N . 12018 1 stop_ save_