################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53592 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 53592 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 4 $software_4 . . 53592 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 MET H H 1 8.550 0.020 . 1 . . . . . 1 MET H . 53592 1 2 . 1 . 1 2 2 MET CA C 13 55.556 0.400 . 1 . . . . . 1 MET CA . 53592 1 3 . 1 . 1 2 2 MET CB C 13 34.214 0.400 . 1 . . . . . 1 MET CB . 53592 1 4 . 1 . 1 2 2 MET N N 15 120.539 0.400 . 1 . . . . . 1 MET N . 53592 1 5 . 1 . 1 3 3 THR H H 1 8.760 0.020 . 1 . . . . . 2 THR H . 53592 1 6 . 1 . 1 3 3 THR CA C 13 63.452 0.400 . 1 . . . . . 2 THR CA . 53592 1 7 . 1 . 1 3 3 THR CB C 13 69.506 0.400 . 1 . . . . . 2 THR CB . 53592 1 8 . 1 . 1 3 3 THR N N 15 123.295 0.400 . 1 . . . . . 2 THR N . 53592 1 9 . 1 . 1 4 4 GLU H H 1 8.350 0.020 . 1 . . . . . 3 GLU H . 53592 1 10 . 1 . 1 4 4 GLU CA C 13 54.082 0.400 . 1 . . . . . 3 GLU CA . 53592 1 11 . 1 . 1 4 4 GLU CB C 13 31.864 0.400 . 1 . . . . . 3 GLU CB . 53592 1 12 . 1 . 1 4 4 GLU N N 15 126.966 0.400 . 1 . . . . . 3 GLU N . 53592 1 13 . 1 . 1 5 5 TYR H H 1 8.720 0.020 . 1 . . . . . 4 TYR H . 53592 1 14 . 1 . 1 5 5 TYR CA C 13 56.879 0.400 . 1 . . . . . 4 TYR CA . 53592 1 15 . 1 . 1 5 5 TYR CB C 13 41.904 0.400 . 1 . . . . . 4 TYR CB . 53592 1 16 . 1 . 1 5 5 TYR N N 15 122.326 0.400 . 1 . . . . . 4 TYR N . 53592 1 17 . 1 . 1 6 6 LYS H H 1 9.124 0.020 . 1 . . . . . 5 LYS H . 53592 1 18 . 1 . 1 6 6 LYS CA C 13 55.569 0.400 . 1 . . . . . 5 LYS CA . 53592 1 19 . 1 . 1 6 6 LYS CB C 13 32.117 0.400 . 1 . . . . . 5 LYS CB . 53592 1 20 . 1 . 1 6 6 LYS N N 15 123.673 0.400 . 1 . . . . . 5 LYS N . 53592 1 21 . 1 . 1 7 7 LEU H H 1 9.228 0.020 . 1 . . . . . 6 LEU H . 53592 1 22 . 1 . 1 7 7 LEU CA C 13 52.293 0.400 . 1 . . . . . 6 LEU CA . 53592 1 23 . 1 . 1 7 7 LEU CB C 13 43.488 0.400 . 1 . . . . . 6 LEU CB . 53592 1 24 . 1 . 1 7 7 LEU N N 15 126.130 0.400 . 1 . . . . . 6 LEU N . 53592 1 25 . 1 . 1 8 8 VAL H H 1 8.107 0.020 . 1 . . . . . 7 VAL H . 53592 1 26 . 1 . 1 8 8 VAL CA C 13 60.895 0.400 . 1 . . . . . 7 VAL CA . 53592 1 27 . 1 . 1 8 8 VAL CB C 13 34.096 0.400 . 1 . . . . . 7 VAL CB . 53592 1 28 . 1 . 1 8 8 VAL N N 15 122.005 0.400 . 1 . . . . . 7 VAL N . 53592 1 29 . 1 . 1 9 9 VAL CA C 13 62.109 0.400 . 1 . . . . . 8 VAL CA . 53592 1 30 . 1 . 1 9 9 VAL CB C 13 32.443 0.400 . 1 . . . . . 8 VAL CB . 53592 1 31 . 1 . 1 10 10 VAL H H 1 9.086 0.020 . 1 . . . . . 9 VAL H . 53592 1 32 . 1 . 1 10 10 VAL CA C 13 58.920 0.400 . 1 . . . . . 9 VAL CA . 53592 1 33 . 1 . 1 10 10 VAL CB C 13 35.322 0.400 . 1 . . . . . 9 VAL CB . 53592 1 34 . 1 . 1 10 10 VAL N N 15 120.390 0.400 . 1 . . . . . 9 VAL N . 53592 1 35 . 1 . 1 11 11 GLY CA C 13 43.938 0.400 . 1 . . . . . 10 GLY CA . 53592 1 36 . 1 . 1 12 12 ALA H H 1 9.099 0.020 . 1 . . . . . 11 ALA H . 53592 1 37 . 1 . 1 12 12 ALA CA C 13 52.331 0.400 . 1 . . . . . 11 ALA CA . 53592 1 38 . 1 . 1 12 12 ALA CB C 13 19.818 0.400 . 1 . . . . . 11 ALA CB . 53592 1 39 . 1 . 1 12 12 ALA N N 15 120.827 0.400 . 1 . . . . . 11 ALA N . 53592 1 40 . 1 . 1 13 13 ASP H H 1 8.412 0.020 . 1 . . . . . 12 ASP H . 53592 1 41 . 1 . 1 13 13 ASP CA C 13 54.963 0.400 . 1 . . . . . 12 ASP CA . 53592 1 42 . 1 . 1 13 13 ASP CB C 13 41.069 0.400 . 1 . . . . . 12 ASP CB . 53592 1 43 . 1 . 1 13 13 ASP N N 15 117.855 0.400 . 1 . . . . . 12 ASP N . 53592 1 44 . 1 . 1 14 14 GLY H H 1 8.645 0.020 . 1 . . . . . 13 GLY H . 53592 1 45 . 1 . 1 14 14 GLY CA C 13 46.208 0.400 . 1 . . . . . 13 GLY CA . 53592 1 46 . 1 . 1 14 14 GLY N N 15 112.822 0.400 . 1 . . . . . 13 GLY N . 53592 1 47 . 1 . 1 15 15 VAL H H 1 7.470 0.020 . 1 . . . . . 14 VAL H . 53592 1 48 . 1 . 1 15 15 VAL CA C 13 62.904 0.400 . 1 . . . . . 14 VAL CA . 53592 1 49 . 1 . 1 15 15 VAL CB C 13 32.118 0.400 . 1 . . . . . 14 VAL CB . 53592 1 50 . 1 . 1 15 15 VAL N N 15 112.165 0.400 . 1 . . . . . 14 VAL N . 53592 1 51 . 1 . 1 16 16 GLY H H 1 8.229 0.020 . 1 . . . . . 15 GLY H . 53592 1 52 . 1 . 1 16 16 GLY CA C 13 45.859 0.400 . 1 . . . . . 15 GLY CA . 53592 1 53 . 1 . 1 16 16 GLY N N 15 107.723 0.400 . 1 . . . . . 15 GLY N . 53592 1 54 . 1 . 1 17 17 LYS CA C 13 61.261 0.400 . 1 . . . . . 16 LYS CA . 53592 1 55 . 1 . 1 17 17 LYS CB C 13 30.229 0.400 . 1 . . . . . 16 LYS CB . 53592 1 56 . 1 . 1 18 18 SER H H 1 9.292 0.020 . 1 . . . . . 17 SER H . 53592 1 57 . 1 . 1 18 18 SER CA C 13 60.996 0.400 . 1 . . . . . 17 SER CA . 53592 1 58 . 1 . 1 18 18 SER N N 15 120.158 0.400 . 1 . . . . . 17 SER N . 53592 1 59 . 1 . 1 19 19 ALA H H 1 9.390 0.020 . 1 . . . . . 18 ALA H . 53592 1 60 . 1 . 1 19 19 ALA CA C 13 54.435 0.400 . 1 . . . . . 18 ALA CA . 53592 1 61 . 1 . 1 19 19 ALA CB C 13 18.412 0.400 . 1 . . . . . 18 ALA CB . 53592 1 62 . 1 . 1 19 19 ALA N N 15 125.602 0.400 . 1 . . . . . 18 ALA N . 53592 1 63 . 1 . 1 20 20 LEU H H 1 8.751 0.020 . 1 . . . . . 19 LEU H . 53592 1 64 . 1 . 1 20 20 LEU CA C 13 58.821 0.400 . 1 . . . . . 19 LEU CA . 53592 1 65 . 1 . 1 20 20 LEU CB C 13 43.144 0.400 . 1 . . . . . 19 LEU CB . 53592 1 66 . 1 . 1 20 20 LEU N N 15 120.002 0.400 . 1 . . . . . 19 LEU N . 53592 1 67 . 1 . 1 21 21 THR H H 1 7.633 0.020 . 1 . . . . . 20 THR H . 53592 1 68 . 1 . 1 21 21 THR CA C 13 68.171 0.400 . 1 . . . . . 20 THR CA . 53592 1 69 . 1 . 1 21 21 THR N N 15 117.163 0.400 . 1 . . . . . 20 THR N . 53592 1 70 . 1 . 1 23 23 GLN CA C 13 59.221 0.400 . 1 . . . . . 22 GLN CA . 53592 1 71 . 1 . 1 23 23 GLN CB C 13 29.313 0.400 . 1 . . . . . 22 GLN CB . 53592 1 72 . 1 . 1 24 24 LEU H H 1 7.582 0.020 . 1 . . . . . 23 LEU H . 53592 1 73 . 1 . 1 24 24 LEU CA C 13 58.192 0.400 . 1 . . . . . 23 LEU CA . 53592 1 74 . 1 . 1 24 24 LEU CB C 13 40.776 0.400 . 1 . . . . . 23 LEU CB . 53592 1 75 . 1 . 1 24 24 LEU N N 15 120.731 0.400 . 1 . . . . . 23 LEU N . 53592 1 76 . 1 . 1 25 25 ILE H H 1 8.092 0.020 . 1 . . . . . 24 ILE H . 53592 1 77 . 1 . 1 25 25 ILE CA C 13 62.027 0.400 . 1 . . . . . 24 ILE CA . 53592 1 78 . 1 . 1 25 25 ILE CB C 13 37.517 0.400 . 1 . . . . . 24 ILE CB . 53592 1 79 . 1 . 1 25 25 ILE N N 15 113.829 0.400 . 1 . . . . . 24 ILE N . 53592 1 80 . 1 . 1 26 26 GLN H H 1 8.922 0.020 . 1 . . . . . 25 GLN H . 53592 1 81 . 1 . 1 26 26 GLN CA C 13 55.204 0.400 . 1 . . . . . 25 GLN CA . 53592 1 82 . 1 . 1 26 26 GLN CB C 13 30.567 0.400 . 1 . . . . . 25 GLN CB . 53592 1 83 . 1 . 1 26 26 GLN N N 15 116.022 0.400 . 1 . . . . . 25 GLN N . 53592 1 84 . 1 . 1 27 27 ASN H H 1 8.007 0.020 . 1 . . . . . 26 ASN H . 53592 1 85 . 1 . 1 27 27 ASN CA C 13 54.456 0.400 . 1 . . . . . 26 ASN CA . 53592 1 86 . 1 . 1 27 27 ASN CB C 13 37.305 0.400 . 1 . . . . . 26 ASN CB . 53592 1 87 . 1 . 1 27 27 ASN N N 15 116.648 0.400 . 1 . . . . . 26 ASN N . 53592 1 88 . 1 . 1 28 28 HIS H H 1 6.709 0.020 . 1 . . . . . 27 HIS H . 53592 1 89 . 1 . 1 28 28 HIS CA C 13 54.280 0.400 . 1 . . . . . 27 HIS CA . 53592 1 90 . 1 . 1 28 28 HIS CB C 13 32.050 0.400 . 1 . . . . . 27 HIS CB . 53592 1 91 . 1 . 1 28 28 HIS N N 15 110.748 0.400 . 1 . . . . . 27 HIS N . 53592 1 92 . 1 . 1 29 29 PHE H H 1 8.648 0.020 . 1 . . . . . 28 PHE H . 53592 1 93 . 1 . 1 29 29 PHE CA C 13 55.799 0.400 . 1 . . . . . 28 PHE CA . 53592 1 94 . 1 . 1 29 29 PHE CB C 13 39.978 0.400 . 1 . . . . . 28 PHE CB . 53592 1 95 . 1 . 1 29 29 PHE N N 15 122.709 0.400 . 1 . . . . . 28 PHE N . 53592 1 96 . 1 . 1 30 30 VAL H H 1 7.431 0.020 . 1 . . . . . 29 VAL H . 53592 1 97 . 1 . 1 30 30 VAL CA C 13 61.437 0.400 . 1 . . . . . 29 VAL CA . 53592 1 98 . 1 . 1 30 30 VAL CB C 13 33.214 0.400 . 1 . . . . . 29 VAL CB . 53592 1 99 . 1 . 1 30 30 VAL N N 15 125.306 0.400 . 1 . . . . . 29 VAL N . 53592 1 100 . 1 . 1 42 42 ARG CA C 13 54.257 0.400 . 1 . . . . . 41 ARG CA . 53592 1 101 . 1 . 1 42 42 ARG CB C 13 34.321 0.400 . 1 . . . . . 41 ARG CB . 53592 1 102 . 1 . 1 43 43 LYS H H 1 8.715 0.020 . 1 . . . . . 42 LYS H . 53592 1 103 . 1 . 1 43 43 LYS CA C 13 55.617 0.400 . 1 . . . . . 42 LYS CA . 53592 1 104 . 1 . 1 43 43 LYS CB C 13 37.941 0.400 . 1 . . . . . 42 LYS CB . 53592 1 105 . 1 . 1 43 43 LYS N N 15 122.767 0.400 . 1 . . . . . 42 LYS N . 53592 1 106 . 1 . 1 44 44 GLN H H 1 8.885 0.020 . 1 . . . . . 43 GLN H . 53592 1 107 . 1 . 1 44 44 GLN CA C 13 55.377 0.400 . 1 . . . . . 43 GLN CA . 53592 1 108 . 1 . 1 44 44 GLN CB C 13 29.887 0.400 . 1 . . . . . 43 GLN CB . 53592 1 109 . 1 . 1 44 44 GLN N N 15 129.092 0.400 . 1 . . . . . 43 GLN N . 53592 1 110 . 1 . 1 45 45 VAL H H 1 9.047 0.020 . 1 . . . . . 44 VAL H . 53592 1 111 . 1 . 1 45 45 VAL CA C 13 59.532 0.400 . 1 . . . . . 44 VAL CA . 53592 1 112 . 1 . 1 45 45 VAL CB C 13 36.099 0.400 . 1 . . . . . 44 VAL CB . 53592 1 113 . 1 . 1 45 45 VAL N N 15 121.608 0.400 . 1 . . . . . 44 VAL N . 53592 1 114 . 1 . 1 46 46 VAL H H 1 8.126 0.020 . 1 . . . . . 45 VAL H . 53592 1 115 . 1 . 1 46 46 VAL CA C 13 61.647 0.400 . 1 . . . . . 45 VAL CA . 53592 1 116 . 1 . 1 46 46 VAL CB C 13 32.240 0.400 . 1 . . . . . 45 VAL CB . 53592 1 117 . 1 . 1 46 46 VAL N N 15 122.212 0.400 . 1 . . . . . 45 VAL N . 53592 1 118 . 1 . 1 47 47 ILE H H 1 8.332 0.020 . 1 . . . . . 46 ILE H . 53592 1 119 . 1 . 1 47 47 ILE CA C 13 60.311 0.400 . 1 . . . . . 46 ILE CA . 53592 1 120 . 1 . 1 47 47 ILE CB C 13 40.009 0.400 . 1 . . . . . 46 ILE CB . 53592 1 121 . 1 . 1 47 47 ILE N N 15 125.995 0.400 . 1 . . . . . 46 ILE N . 53592 1 122 . 1 . 1 48 48 ASP H H 1 9.519 0.020 . 1 . . . . . 47 ASP H . 53592 1 123 . 1 . 1 48 48 ASP CA C 13 55.295 0.400 . 1 . . . . . 47 ASP CA . 53592 1 124 . 1 . 1 48 48 ASP CB C 13 39.400 0.400 . 1 . . . . . 47 ASP CB . 53592 1 125 . 1 . 1 48 48 ASP N N 15 130.190 0.400 . 1 . . . . . 47 ASP N . 53592 1 126 . 1 . 1 49 49 GLY H H 1 8.290 0.020 . 1 . . . . . 48 GLY H . 53592 1 127 . 1 . 1 49 49 GLY CA C 13 45.266 0.400 . 1 . . . . . 48 GLY CA . 53592 1 128 . 1 . 1 49 49 GLY N N 15 103.350 0.400 . 1 . . . . . 48 GLY N . 53592 1 129 . 1 . 1 50 50 GLU H H 1 7.716 0.020 . 1 . . . . . 49 GLU H . 53592 1 130 . 1 . 1 50 50 GLU CA C 13 54.560 0.400 . 1 . . . . . 49 GLU CA . 53592 1 131 . 1 . 1 50 50 GLU CB C 13 31.933 0.400 . 1 . . . . . 49 GLU CB . 53592 1 132 . 1 . 1 50 50 GLU N N 15 122.611 0.400 . 1 . . . . . 49 GLU N . 53592 1 133 . 1 . 1 51 51 THR H H 1 8.976 0.020 . 1 . . . . . 50 THR H . 53592 1 134 . 1 . 1 51 51 THR CA C 13 63.780 0.400 . 1 . . . . . 50 THR CA . 53592 1 135 . 1 . 1 51 51 THR CB C 13 68.245 0.400 . 1 . . . . . 50 THR CB . 53592 1 136 . 1 . 1 51 51 THR N N 15 125.552 0.400 . 1 . . . . . 50 THR N . 53592 1 137 . 1 . 1 52 52 CYS H H 1 9.391 0.020 . 1 . . . . . 51 CYS H . 53592 1 138 . 1 . 1 52 52 CYS CA C 13 56.581 0.400 . 1 . . . . . 51 CYS CA . 53592 1 139 . 1 . 1 52 52 CYS CB C 13 31.263 0.400 . 1 . . . . . 51 CYS CB . 53592 1 140 . 1 . 1 52 52 CYS N N 15 125.046 0.400 . 1 . . . . . 51 CYS N . 53592 1 141 . 1 . 1 53 53 LEU H H 1 8.827 0.020 . 1 . . . . . 52 LEU H . 53592 1 142 . 1 . 1 53 53 LEU CA C 13 53.289 0.400 . 1 . . . . . 52 LEU CA . 53592 1 143 . 1 . 1 53 53 LEU CB C 13 43.881 0.400 . 1 . . . . . 52 LEU CB . 53592 1 144 . 1 . 1 53 53 LEU N N 15 122.638 0.400 . 1 . . . . . 52 LEU N . 53592 1 145 . 1 . 1 54 54 LEU H H 1 9.161 0.020 . 1 . . . . . 53 LEU H . 53592 1 146 . 1 . 1 54 54 LEU CA C 13 53.628 0.400 . 1 . . . . . 53 LEU CA . 53592 1 147 . 1 . 1 54 54 LEU CB C 13 41.825 0.400 . 1 . . . . . 53 LEU CB . 53592 1 148 . 1 . 1 54 54 LEU N N 15 123.704 0.400 . 1 . . . . . 53 LEU N . 53592 1 149 . 1 . 1 55 55 ASP CA C 13 52.929 0.400 . 1 . . . . . 54 ASP CA . 53592 1 150 . 1 . 1 55 55 ASP CB C 13 42.023 0.400 . 1 . . . . . 54 ASP CB . 53592 1 151 . 1 . 1 56 56 ILE H H 1 9.204 0.020 . 1 . . . . . 55 ILE H . 53592 1 152 . 1 . 1 56 56 ILE CA C 13 60.367 0.400 . 1 . . . . . 55 ILE CA . 53592 1 153 . 1 . 1 56 56 ILE N N 15 124.120 0.400 . 1 . . . . . 55 ILE N . 53592 1 154 . 1 . 1 57 57 LEU H H 1 8.876 0.020 . 1 . . . . . 56 LEU H . 53592 1 155 . 1 . 1 57 57 LEU CA C 13 53.886 0.400 . 1 . . . . . 56 LEU CA . 53592 1 156 . 1 . 1 57 57 LEU N N 15 130.040 0.400 . 1 . . . . . 56 LEU N . 53592 1 157 . 1 . 1 74 74 ARG CA C 13 59.453 0.400 . 1 . . . . . 73 ARG CA . 53592 1 158 . 1 . 1 74 74 ARG CB C 13 30.478 0.400 . 1 . . . . . 73 ARG CB . 53592 1 159 . 1 . 1 75 75 THR H H 1 7.543 0.020 . 1 . . . . . 74 THR H . 53592 1 160 . 1 . 1 75 75 THR CA C 13 63.066 0.400 . 1 . . . . . 74 THR CA . 53592 1 161 . 1 . 1 75 75 THR CB C 13 69.703 0.400 . 1 . . . . . 74 THR CB . 53592 1 162 . 1 . 1 75 75 THR N N 15 108.643 0.400 . 1 . . . . . 74 THR N . 53592 1 163 . 1 . 1 76 76 GLY H H 1 7.904 0.020 . 1 . . . . . 75 GLY H . 53592 1 164 . 1 . 1 76 76 GLY CA C 13 46.627 0.400 . 1 . . . . . 75 GLY CA . 53592 1 165 . 1 . 1 76 76 GLY N N 15 107.853 0.400 . 1 . . . . . 75 GLY N . 53592 1 166 . 1 . 1 77 77 GLU CA C 13 56.680 0.400 . 1 . . . . . 76 GLU CA . 53592 1 167 . 1 . 1 77 77 GLU CB C 13 32.242 0.400 . 1 . . . . . 76 GLU CB . 53592 1 168 . 1 . 1 78 78 GLY H H 1 7.209 0.020 . 1 . . . . . 77 GLY H . 53592 1 169 . 1 . 1 78 78 GLY CA C 13 45.413 0.400 . 1 . . . . . 77 GLY CA . 53592 1 170 . 1 . 1 78 78 GLY N N 15 101.173 0.400 . 1 . . . . . 77 GLY N . 53592 1 171 . 1 . 1 79 79 PHE H H 1 8.173 0.020 . 1 . . . . . 78 PHE H . 53592 1 172 . 1 . 1 79 79 PHE CA C 13 56.889 0.400 . 1 . . . . . 78 PHE CA . 53592 1 173 . 1 . 1 79 79 PHE CB C 13 42.717 0.400 . 1 . . . . . 78 PHE CB . 53592 1 174 . 1 . 1 79 79 PHE N N 15 121.090 0.400 . 1 . . . . . 78 PHE N . 53592 1 175 . 1 . 1 80 80 LEU H H 1 9.324 0.020 . 1 . . . . . 79 LEU H . 53592 1 176 . 1 . 1 80 80 LEU CA C 13 53.855 0.400 . 1 . . . . . 79 LEU CA . 53592 1 177 . 1 . 1 80 80 LEU CB C 13 42.936 0.400 . 1 . . . . . 79 LEU CB . 53592 1 178 . 1 . 1 80 80 LEU N N 15 127.745 0.400 . 1 . . . . . 79 LEU N . 53592 1 179 . 1 . 1 81 81 CYS H H 1 8.792 0.020 . 1 . . . . . 80 CYS H . 53592 1 180 . 1 . 1 81 81 CYS CA C 13 57.728 0.400 . 1 . . . . . 80 CYS CA . 53592 1 181 . 1 . 1 81 81 CYS CB C 13 27.545 0.400 . 1 . . . . . 80 CYS CB . 53592 1 182 . 1 . 1 81 81 CYS N N 15 124.886 0.400 . 1 . . . . . 80 CYS N . 53592 1 183 . 1 . 1 82 82 VAL H H 1 9.136 0.020 . 1 . . . . . 81 VAL H . 53592 1 184 . 1 . 1 82 82 VAL CA C 13 61.276 0.400 . 1 . . . . . 81 VAL CA . 53592 1 185 . 1 . 1 82 82 VAL CB C 13 33.305 0.400 . 1 . . . . . 81 VAL CB . 53592 1 186 . 1 . 1 82 82 VAL N N 15 126.255 0.400 . 1 . . . . . 81 VAL N . 53592 1 187 . 1 . 1 83 83 PHE H H 1 9.322 0.020 . 1 . . . . . 82 PHE H . 53592 1 188 . 1 . 1 83 83 PHE CA C 13 55.254 0.400 . 1 . . . . . 82 PHE CA . 53592 1 189 . 1 . 1 83 83 PHE CB C 13 40.698 0.400 . 1 . . . . . 82 PHE CB . 53592 1 190 . 1 . 1 83 83 PHE N N 15 123.879 0.400 . 1 . . . . . 82 PHE N . 53592 1 191 . 1 . 1 84 84 ALA H H 1 8.781 0.020 . 1 . . . . . 83 ALA H . 53592 1 192 . 1 . 1 84 84 ALA CA C 13 49.719 0.400 . 1 . . . . . 83 ALA CA . 53592 1 193 . 1 . 1 84 84 ALA CB C 13 21.776 0.400 . 1 . . . . . 83 ALA CB . 53592 1 194 . 1 . 1 84 84 ALA N N 15 121.487 0.400 . 1 . . . . . 83 ALA N . 53592 1 195 . 1 . 1 85 85 ILE H H 1 8.397 0.020 . 1 . . . . . 84 ILE H . 53592 1 196 . 1 . 1 85 85 ILE CA C 13 63.636 0.400 . 1 . . . . . 84 ILE CA . 53592 1 197 . 1 . 1 85 85 ILE CB C 13 38.281 0.400 . 1 . . . . . 84 ILE CB . 53592 1 198 . 1 . 1 85 85 ILE N N 15 113.475 0.400 . 1 . . . . . 84 ILE N . 53592 1 199 . 1 . 1 86 86 ASN H H 1 7.941 0.020 . 1 . . . . . 85 ASN H . 53592 1 200 . 1 . 1 86 86 ASN CA C 13 52.264 0.400 . 1 . . . . . 85 ASN CA . 53592 1 201 . 1 . 1 86 86 ASN CB C 13 38.461 0.400 . 1 . . . . . 85 ASN CB . 53592 1 202 . 1 . 1 86 86 ASN N N 15 117.043 0.400 . 1 . . . . . 85 ASN N . 53592 1 203 . 1 . 1 87 87 ASN H H 1 7.872 0.020 . 1 . . . . . 86 ASN H . 53592 1 204 . 1 . 1 87 87 ASN CA C 13 51.871 0.400 . 1 . . . . . 86 ASN CA . 53592 1 205 . 1 . 1 87 87 ASN CB C 13 39.341 0.400 . 1 . . . . . 86 ASN CB . 53592 1 206 . 1 . 1 87 87 ASN N N 15 119.100 0.400 . 1 . . . . . 86 ASN N . 53592 1 207 . 1 . 1 88 88 THR H H 1 9.261 0.020 . 1 . . . . . 87 THR H . 53592 1 208 . 1 . 1 88 88 THR CA C 13 66.845 0.400 . 1 . . . . . 87 THR CA . 53592 1 209 . 1 . 1 88 88 THR CB C 13 68.442 0.400 . 1 . . . . . 87 THR CB . 53592 1 210 . 1 . 1 88 88 THR N N 15 124.669 0.400 . 1 . . . . . 87 THR N . 53592 1 211 . 1 . 1 89 89 LYS H H 1 8.484 0.020 . 1 . . . . . 88 LYS H . 53592 1 212 . 1 . 1 89 89 LYS CA C 13 59.525 0.400 . 1 . . . . . 88 LYS CA . 53592 1 213 . 1 . 1 89 89 LYS CB C 13 31.397 0.400 . 1 . . . . . 88 LYS CB . 53592 1 214 . 1 . 1 89 89 LYS N N 15 124.390 0.400 . 1 . . . . . 88 LYS N . 53592 1 215 . 1 . 1 90 90 SER H H 1 8.034 0.020 . 1 . . . . . 89 SER H . 53592 1 216 . 1 . 1 90 90 SER CA C 13 61.601 0.400 . 1 . . . . . 89 SER CA . 53592 1 217 . 1 . 1 90 90 SER CB C 13 63.894 0.400 . 1 . . . . . 89 SER CB . 53592 1 218 . 1 . 1 90 90 SER N N 15 114.576 0.400 . 1 . . . . . 89 SER N . 53592 1 219 . 1 . 1 91 91 PHE H H 1 7.481 0.020 . 1 . . . . . 90 PHE H . 53592 1 220 . 1 . 1 91 91 PHE CA C 13 60.052 0.400 . 1 . . . . . 90 PHE CA . 53592 1 221 . 1 . 1 91 91 PHE CB C 13 40.135 0.400 . 1 . . . . . 90 PHE CB . 53592 1 222 . 1 . 1 91 91 PHE N N 15 125.279 0.400 . 1 . . . . . 90 PHE N . 53592 1 223 . 1 . 1 92 92 GLU H H 1 8.345 0.020 . 1 . . . . . 91 GLU H . 53592 1 224 . 1 . 1 92 92 GLU CA C 13 58.957 0.400 . 1 . . . . . 91 GLU CA . 53592 1 225 . 1 . 1 92 92 GLU CB C 13 29.225 0.400 . 1 . . . . . 91 GLU CB . 53592 1 226 . 1 . 1 92 92 GLU N N 15 121.663 0.400 . 1 . . . . . 91 GLU N . 53592 1 227 . 1 . 1 93 93 ASP H H 1 8.650 0.020 . 1 . . . . . 92 ASP H . 53592 1 228 . 1 . 1 93 93 ASP CA C 13 56.490 0.400 . 1 . . . . . 92 ASP CA . 53592 1 229 . 1 . 1 93 93 ASP CB C 13 41.213 0.400 . 1 . . . . . 92 ASP CB . 53592 1 230 . 1 . 1 93 93 ASP N N 15 117.454 0.400 . 1 . . . . . 92 ASP N . 53592 1 231 . 1 . 1 94 94 ILE H H 1 7.615 0.020 . 1 . . . . . 93 ILE H . 53592 1 232 . 1 . 1 94 94 ILE CA C 13 62.269 0.400 . 1 . . . . . 93 ILE CA . 53592 1 233 . 1 . 1 94 94 ILE CB C 13 34.670 0.400 . 1 . . . . . 93 ILE CB . 53592 1 234 . 1 . 1 94 94 ILE N N 15 120.943 0.400 . 1 . . . . . 93 ILE N . 53592 1 235 . 1 . 1 95 95 HIS H H 1 7.851 0.020 . 1 . . . . . 94 HIS H . 53592 1 236 . 1 . 1 95 95 HIS CA C 13 59.511 0.400 . 1 . . . . . 94 HIS CA . 53592 1 237 . 1 . 1 95 95 HIS CB C 13 29.634 0.400 . 1 . . . . . 94 HIS CB . 53592 1 238 . 1 . 1 95 95 HIS N N 15 116.743 0.400 . 1 . . . . . 94 HIS N . 53592 1 239 . 1 . 1 96 96 HIS H H 1 7.244 0.020 . 1 . . . . . 95 HIS H . 53592 1 240 . 1 . 1 96 96 HIS CA C 13 58.172 0.400 . 1 . . . . . 95 HIS CA . 53592 1 241 . 1 . 1 96 96 HIS CB C 13 28.743 0.400 . 1 . . . . . 95 HIS CB . 53592 1 242 . 1 . 1 96 96 HIS N N 15 116.615 0.400 . 1 . . . . . 95 HIS N . 53592 1 243 . 1 . 1 97 97 TYR H H 1 7.764 0.020 . 1 . . . . . 96 TYR H . 53592 1 244 . 1 . 1 97 97 TYR CA C 13 63.478 0.400 . 1 . . . . . 96 TYR CA . 53592 1 245 . 1 . 1 97 97 TYR CB C 13 38.226 0.400 . 1 . . . . . 96 TYR CB . 53592 1 246 . 1 . 1 97 97 TYR N N 15 119.054 0.400 . 1 . . . . . 96 TYR N . 53592 1 247 . 1 . 1 98 98 ARG H H 1 8.402 0.020 . 1 . . . . . 97 ARG H . 53592 1 248 . 1 . 1 98 98 ARG CA C 13 60.089 0.400 . 1 . . . . . 97 ARG CA . 53592 1 249 . 1 . 1 98 98 ARG CB C 13 28.943 0.400 . 1 . . . . . 97 ARG CB . 53592 1 250 . 1 . 1 98 98 ARG N N 15 117.981 0.400 . 1 . . . . . 97 ARG N . 53592 1 251 . 1 . 1 99 99 GLU H H 1 7.897 0.020 . 1 . . . . . 98 GLU H . 53592 1 252 . 1 . 1 99 99 GLU CA C 13 58.957 0.400 . 1 . . . . . 98 GLU CA . 53592 1 253 . 1 . 1 99 99 GLU CB C 13 29.244 0.400 . 1 . . . . . 98 GLU CB . 53592 1 254 . 1 . 1 99 99 GLU N N 15 116.581 0.400 . 1 . . . . . 98 GLU N . 53592 1 255 . 1 . 1 100 100 GLN H H 1 7.859 0.020 . 1 . . . . . 99 GLN H . 53592 1 256 . 1 . 1 100 100 GLN CA C 13 59.244 0.400 . 1 . . . . . 99 GLN CA . 53592 1 257 . 1 . 1 100 100 GLN CB C 13 28.055 0.400 . 1 . . . . . 99 GLN CB . 53592 1 258 . 1 . 1 100 100 GLN N N 15 120.096 0.400 . 1 . . . . . 99 GLN N . 53592 1 259 . 1 . 1 101 101 ILE H H 1 8.162 0.020 . 1 . . . . . 100 ILE H . 53592 1 260 . 1 . 1 101 101 ILE CA C 13 65.765 0.400 . 1 . . . . . 100 ILE CA . 53592 1 261 . 1 . 1 101 101 ILE CB C 13 38.071 0.400 . 1 . . . . . 100 ILE CB . 53592 1 262 . 1 . 1 101 101 ILE N N 15 119.992 0.400 . 1 . . . . . 100 ILE N . 53592 1 263 . 1 . 1 102 102 LYS H H 1 7.766 0.020 . 1 . . . . . 101 LYS H . 53592 1 264 . 1 . 1 102 102 LYS CA C 13 59.673 0.400 . 1 . . . . . 101 LYS CA . 53592 1 265 . 1 . 1 102 102 LYS CB C 13 32.279 0.400 . 1 . . . . . 101 LYS CB . 53592 1 266 . 1 . 1 102 102 LYS N N 15 116.966 0.400 . 1 . . . . . 101 LYS N . 53592 1 267 . 1 . 1 103 103 ARG H H 1 7.695 0.020 . 1 . . . . . 102 ARG H . 53592 1 268 . 1 . 1 103 103 ARG CA C 13 59.060 0.400 . 1 . . . . . 102 ARG CA . 53592 1 269 . 1 . 1 103 103 ARG CB C 13 30.058 0.400 . 1 . . . . . 102 ARG CB . 53592 1 270 . 1 . 1 103 103 ARG N N 15 118.240 0.400 . 1 . . . . . 102 ARG N . 53592 1 271 . 1 . 1 104 104 VAL CA C 13 65.645 0.400 . 1 . . . . . 103 VAL CA . 53592 1 272 . 1 . 1 104 104 VAL CB C 13 31.768 0.400 . 1 . . . . . 103 VAL CB . 53592 1 273 . 1 . 1 105 105 LYS H H 1 8.151 0.020 . 1 . . . . . 104 LYS H . 53592 1 274 . 1 . 1 105 105 LYS CA C 13 55.550 0.400 . 1 . . . . . 104 LYS CA . 53592 1 275 . 1 . 1 105 105 LYS CB C 13 31.282 0.400 . 1 . . . . . 104 LYS CB . 53592 1 276 . 1 . 1 105 105 LYS N N 15 116.007 0.400 . 1 . . . . . 104 LYS N . 53592 1 277 . 1 . 1 106 106 ASP H H 1 7.933 0.020 . 1 . . . . . 105 ASP H . 53592 1 278 . 1 . 1 106 106 ASP CA C 13 54.450 0.400 . 1 . . . . . 105 ASP CA . 53592 1 279 . 1 . 1 106 106 ASP CB C 13 39.772 0.400 . 1 . . . . . 105 ASP CB . 53592 1 280 . 1 . 1 106 106 ASP N N 15 120.851 0.400 . 1 . . . . . 105 ASP N . 53592 1 281 . 1 . 1 107 107 SER H H 1 7.588 0.020 . 1 . . . . . 106 SER H . 53592 1 282 . 1 . 1 107 107 SER CA C 13 57.037 0.400 . 1 . . . . . 106 SER CA . 53592 1 283 . 1 . 1 107 107 SER CB C 13 65.211 0.400 . 1 . . . . . 106 SER CB . 53592 1 284 . 1 . 1 107 107 SER N N 15 109.186 0.400 . 1 . . . . . 106 SER N . 53592 1 285 . 1 . 1 108 108 GLU H H 1 8.448 0.020 . 1 . . . . . 107 GLU H . 53592 1 286 . 1 . 1 108 108 GLU CA C 13 56.357 0.400 . 1 . . . . . 107 GLU CA . 53592 1 287 . 1 . 1 108 108 GLU CB C 13 30.525 0.400 . 1 . . . . . 107 GLU CB . 53592 1 288 . 1 . 1 108 108 GLU N N 15 121.427 0.400 . 1 . . . . . 107 GLU N . 53592 1 289 . 1 . 1 109 109 ASP H H 1 8.428 0.020 . 1 . . . . . 108 ASP H . 53592 1 290 . 1 . 1 109 109 ASP CA C 13 52.970 0.400 . 1 . . . . . 108 ASP CA . 53592 1 291 . 1 . 1 109 109 ASP CB C 13 41.173 0.400 . 1 . . . . . 108 ASP CB . 53592 1 292 . 1 . 1 109 109 ASP N N 15 120.995 0.400 . 1 . . . . . 108 ASP N . 53592 1 293 . 1 . 1 110 110 VAL H H 1 7.613 0.020 . 1 . . . . . 109 VAL H . 53592 1 294 . 1 . 1 110 110 VAL CA C 13 59.025 0.400 . 1 . . . . . 109 VAL CA . 53592 1 295 . 1 . 1 110 110 VAL CB C 13 34.941 0.400 . 1 . . . . . 109 VAL CB . 53592 1 296 . 1 . 1 110 110 VAL N N 15 122.106 0.400 . 1 . . . . . 109 VAL N . 53592 1 297 . 1 . 1 111 111 PRO CA C 13 63.661 0.400 . 1 . . . . . 110 PRO CA . 53592 1 298 . 1 . 1 111 111 PRO CB C 13 32.195 0.400 . 1 . . . . . 110 PRO CB . 53592 1 299 . 1 . 1 112 112 MET H H 1 8.325 0.020 . 1 . . . . . 111 MET H . 53592 1 300 . 1 . 1 112 112 MET CA C 13 55.135 0.400 . 1 . . . . . 111 MET CA . 53592 1 301 . 1 . 1 112 112 MET CB C 13 38.047 0.400 . 1 . . . . . 111 MET CB . 53592 1 302 . 1 . 1 112 112 MET N N 15 123.122 0.400 . 1 . . . . . 111 MET N . 53592 1 303 . 1 . 1 113 113 VAL H H 1 8.102 0.020 . 1 . . . . . 112 VAL H . 53592 1 304 . 1 . 1 113 113 VAL CA C 13 60.962 0.400 . 1 . . . . . 112 VAL CA . 53592 1 305 . 1 . 1 113 113 VAL CB C 13 37.250 0.400 . 1 . . . . . 112 VAL CB . 53592 1 306 . 1 . 1 113 113 VAL N N 15 118.128 0.400 . 1 . . . . . 112 VAL N . 53592 1 307 . 1 . 1 114 114 LEU H H 1 8.984 0.020 . 1 . . . . . 113 LEU H . 53592 1 308 . 1 . 1 114 114 LEU CA C 13 53.917 0.400 . 1 . . . . . 113 LEU CA . 53592 1 309 . 1 . 1 114 114 LEU CB C 13 43.999 0.400 . 1 . . . . . 113 LEU CB . 53592 1 310 . 1 . 1 114 114 LEU N N 15 128.968 0.400 . 1 . . . . . 113 LEU N . 53592 1 311 . 1 . 1 115 115 VAL H H 1 9.229 0.020 . 1 . . . . . 114 VAL H . 53592 1 312 . 1 . 1 115 115 VAL CA C 13 60.102 0.400 . 1 . . . . . 114 VAL CA . 53592 1 313 . 1 . 1 115 115 VAL CB C 13 35.090 0.400 . 1 . . . . . 114 VAL CB . 53592 1 314 . 1 . 1 115 115 VAL N N 15 128.008 0.400 . 1 . . . . . 114 VAL N . 53592 1 315 . 1 . 1 116 116 GLY H H 1 8.206 0.020 . 1 . . . . . 115 GLY H . 53592 1 316 . 1 . 1 116 116 GLY CA C 13 45.688 0.400 . 1 . . . . . 115 GLY CA . 53592 1 317 . 1 . 1 116 116 GLY N N 15 113.380 0.400 . 1 . . . . . 115 GLY N . 53592 1 318 . 1 . 1 117 117 ASN H H 1 8.838 0.020 . 1 . . . . . 116 ASN H . 53592 1 319 . 1 . 1 117 117 ASN CA C 13 51.547 0.400 . 1 . . . . . 116 ASN CA . 53592 1 320 . 1 . 1 117 117 ASN CB C 13 41.269 0.400 . 1 . . . . . 116 ASN CB . 53592 1 321 . 1 . 1 117 117 ASN N N 15 121.698 0.400 . 1 . . . . . 116 ASN N . 53592 1 322 . 1 . 1 118 118 LYS H H 1 7.342 0.020 . 1 . . . . . 117 LYS H . 53592 1 323 . 1 . 1 118 118 LYS CA C 13 57.323 0.400 . 1 . . . . . 117 LYS CA . 53592 1 324 . 1 . 1 118 118 LYS CB C 13 29.589 0.400 . 1 . . . . . 117 LYS CB . 53592 1 325 . 1 . 1 118 118 LYS N N 15 112.136 0.400 . 1 . . . . . 117 LYS N . 53592 1 326 . 1 . 1 119 119 SER H H 1 8.899 0.020 . 1 . . . . . 118 SER H . 53592 1 327 . 1 . 1 119 119 SER CA C 13 60.958 0.400 . 1 . . . . . 118 SER CA . 53592 1 328 . 1 . 1 119 119 SER CB C 13 63.052 0.400 . 1 . . . . . 118 SER CB . 53592 1 329 . 1 . 1 119 119 SER N N 15 112.687 0.400 . 1 . . . . . 118 SER N . 53592 1 330 . 1 . 1 120 120 ASP H H 1 8.542 0.020 . 1 . . . . . 119 ASP H . 53592 1 331 . 1 . 1 120 120 ASP CA C 13 54.086 0.400 . 1 . . . . . 119 ASP CA . 53592 1 332 . 1 . 1 120 120 ASP CB C 13 41.367 0.400 . 1 . . . . . 119 ASP CB . 53592 1 333 . 1 . 1 120 120 ASP N N 15 115.988 0.400 . 1 . . . . . 119 ASP N . 53592 1 334 . 1 . 1 121 121 LEU H H 1 7.825 0.020 . 1 . . . . . 120 LEU H . 53592 1 335 . 1 . 1 121 121 LEU CA C 13 54.772 0.400 . 1 . . . . . 120 LEU CA . 53592 1 336 . 1 . 1 121 121 LEU CB C 13 42.392 0.400 . 1 . . . . . 120 LEU CB . 53592 1 337 . 1 . 1 121 121 LEU N N 15 120.372 0.400 . 1 . . . . . 120 LEU N . 53592 1 338 . 1 . 1 122 122 CYS H H 1 8.429 0.020 . 1 . . . . . 121 CYS H . 53592 1 339 . 1 . 1 122 122 CYS CA C 13 59.058 0.400 . 1 . . . . . 121 CYS CA . 53592 1 340 . 1 . 1 122 122 CYS CB C 13 27.523 0.400 . 1 . . . . . 121 CYS CB . 53592 1 341 . 1 . 1 122 122 CYS N N 15 116.871 0.400 . 1 . . . . . 121 CYS N . 53592 1 342 . 1 . 1 123 123 SER H H 1 7.519 0.020 . 1 . . . . . 122 SER H . 53592 1 343 . 1 . 1 123 123 SER CA C 13 56.417 0.400 . 1 . . . . . 122 SER CA . 53592 1 344 . 1 . 1 123 123 SER CB C 13 62.142 0.400 . 1 . . . . . 122 SER CB . 53592 1 345 . 1 . 1 123 123 SER N N 15 115.921 0.400 . 1 . . . . . 122 SER N . 53592 1 346 . 1 . 1 124 124 ARG H H 1 7.717 0.020 . 1 . . . . . 123 ARG H . 53592 1 347 . 1 . 1 124 124 ARG CA C 13 55.922 0.400 . 1 . . . . . 123 ARG CA . 53592 1 348 . 1 . 1 124 124 ARG CB C 13 32.668 0.400 . 1 . . . . . 123 ARG CB . 53592 1 349 . 1 . 1 124 124 ARG N N 15 120.878 0.400 . 1 . . . . . 123 ARG N . 53592 1 350 . 1 . 1 125 125 THR H H 1 9.148 0.020 . 1 . . . . . 124 THR H . 53592 1 351 . 1 . 1 125 125 THR CA C 13 61.729 0.400 . 1 . . . . . 124 THR CA . 53592 1 352 . 1 . 1 125 125 THR CB C 13 69.208 0.400 . 1 . . . . . 124 THR CB . 53592 1 353 . 1 . 1 125 125 THR N N 15 114.604 0.400 . 1 . . . . . 124 THR N . 53592 1 354 . 1 . 1 126 126 VAL H H 1 7.581 0.020 . 1 . . . . . 125 VAL H . 53592 1 355 . 1 . 1 126 126 VAL CA C 13 61.419 0.400 . 1 . . . . . 125 VAL CA . 53592 1 356 . 1 . 1 126 126 VAL CB C 13 33.206 0.400 . 1 . . . . . 125 VAL CB . 53592 1 357 . 1 . 1 126 126 VAL N N 15 124.260 0.400 . 1 . . . . . 125 VAL N . 53592 1 358 . 1 . 1 127 127 ASP H H 1 8.591 0.020 . 1 . . . . . 126 ASP H . 53592 1 359 . 1 . 1 127 127 ASP CA C 13 54.206 0.400 . 1 . . . . . 126 ASP CA . 53592 1 360 . 1 . 1 127 127 ASP CB C 13 42.158 0.400 . 1 . . . . . 126 ASP CB . 53592 1 361 . 1 . 1 127 127 ASP N N 15 128.204 0.400 . 1 . . . . . 126 ASP N . 53592 1 362 . 1 . 1 128 128 THR H H 1 8.778 0.020 . 1 . . . . . 127 THR H . 53592 1 363 . 1 . 1 128 128 THR CA C 13 67.045 0.400 . 1 . . . . . 127 THR CA . 53592 1 364 . 1 . 1 128 128 THR CB C 13 68.982 0.400 . 1 . . . . . 127 THR CB . 53592 1 365 . 1 . 1 128 128 THR N N 15 121.911 0.400 . 1 . . . . . 127 THR N . 53592 1 366 . 1 . 1 129 129 LYS H H 1 8.467 0.020 . 1 . . . . . 128 LYS H . 53592 1 367 . 1 . 1 129 129 LYS CA C 13 59.361 0.400 . 1 . . . . . 128 LYS CA . 53592 1 368 . 1 . 1 129 129 LYS CB C 13 32.049 0.400 . 1 . . . . . 128 LYS CB . 53592 1 369 . 1 . 1 129 129 LYS N N 15 120.422 0.400 . 1 . . . . . 128 LYS N . 53592 1 370 . 1 . 1 130 130 GLN H H 1 7.263 0.020 . 1 . . . . . 129 GLN H . 53592 1 371 . 1 . 1 130 130 GLN CA C 13 58.597 0.400 . 1 . . . . . 129 GLN CA . 53592 1 372 . 1 . 1 130 130 GLN CB C 13 28.780 0.400 . 1 . . . . . 129 GLN CB . 53592 1 373 . 1 . 1 130 130 GLN N N 15 117.221 0.400 . 1 . . . . . 129 GLN N . 53592 1 374 . 1 . 1 131 131 ALA H H 1 7.083 0.020 . 1 . . . . . 130 ALA H . 53592 1 375 . 1 . 1 131 131 ALA CA C 13 54.960 0.400 . 1 . . . . . 130 ALA CA . 53592 1 376 . 1 . 1 131 131 ALA CB C 13 18.934 0.400 . 1 . . . . . 130 ALA CB . 53592 1 377 . 1 . 1 131 131 ALA N N 15 122.693 0.400 . 1 . . . . . 130 ALA N . 53592 1 378 . 1 . 1 132 132 GLN H H 1 8.382 0.020 . 1 . . . . . 131 GLN H . 53592 1 379 . 1 . 1 132 132 GLN CA C 13 58.951 0.400 . 1 . . . . . 131 GLN CA . 53592 1 380 . 1 . 1 132 132 GLN CB C 13 28.563 0.400 . 1 . . . . . 131 GLN CB . 53592 1 381 . 1 . 1 132 132 GLN N N 15 117.070 0.400 . 1 . . . . . 131 GLN N . 53592 1 382 . 1 . 1 133 133 ASP H H 1 8.492 0.020 . 1 . . . . . 132 ASP H . 53592 1 383 . 1 . 1 133 133 ASP CA C 13 57.260 0.400 . 1 . . . . . 132 ASP CA . 53592 1 384 . 1 . 1 133 133 ASP CB C 13 39.770 0.400 . 1 . . . . . 132 ASP CB . 53592 1 385 . 1 . 1 133 133 ASP N N 15 120.359 0.400 . 1 . . . . . 132 ASP N . 53592 1 386 . 1 . 1 134 134 LEU H H 1 7.575 0.020 . 1 . . . . . 133 LEU H . 53592 1 387 . 1 . 1 134 134 LEU CA C 13 57.686 0.400 . 1 . . . . . 133 LEU CA . 53592 1 388 . 1 . 1 134 134 LEU CB C 13 41.662 0.400 . 1 . . . . . 133 LEU CB . 53592 1 389 . 1 . 1 134 134 LEU N N 15 123.604 0.400 . 1 . . . . . 133 LEU N . 53592 1 390 . 1 . 1 135 135 ALA H H 1 8.249 0.020 . 1 . . . . . 134 ALA H . 53592 1 391 . 1 . 1 135 135 ALA CA C 13 55.846 0.400 . 1 . . . . . 134 ALA CA . 53592 1 392 . 1 . 1 135 135 ALA CB C 13 18.207 0.400 . 1 . . . . . 134 ALA CB . 53592 1 393 . 1 . 1 135 135 ALA N N 15 121.475 0.400 . 1 . . . . . 134 ALA N . 53592 1 394 . 1 . 1 136 136 ARG H H 1 8.424 0.020 . 1 . . . . . 135 ARG H . 53592 1 395 . 1 . 1 136 136 ARG CA C 13 59.340 0.400 . 1 . . . . . 135 ARG CA . 53592 1 396 . 1 . 1 136 136 ARG CB C 13 29.761 0.400 . 1 . . . . . 135 ARG CB . 53592 1 397 . 1 . 1 136 136 ARG N N 15 118.148 0.400 . 1 . . . . . 135 ARG N . 53592 1 398 . 1 . 1 137 137 SER H H 1 7.980 0.020 . 1 . . . . . 136 SER H . 53592 1 399 . 1 . 1 137 137 SER CA C 13 61.501 0.400 . 1 . . . . . 136 SER CA . 53592 1 400 . 1 . 1 137 137 SER CB C 13 62.579 0.400 . 1 . . . . . 136 SER CB . 53592 1 401 . 1 . 1 137 137 SER N N 15 117.641 0.400 . 1 . . . . . 136 SER N . 53592 1 402 . 1 . 1 138 138 TYR H H 1 7.677 0.020 . 1 . . . . . 137 TYR H . 53592 1 403 . 1 . 1 138 138 TYR CA C 13 54.687 0.400 . 1 . . . . . 137 TYR CA . 53592 1 404 . 1 . 1 138 138 TYR CB C 13 38.735 0.400 . 1 . . . . . 137 TYR CB . 53592 1 405 . 1 . 1 138 138 TYR N N 15 119.798 0.400 . 1 . . . . . 137 TYR N . 53592 1 406 . 1 . 1 139 139 GLY H H 1 8.304 0.020 . 1 . . . . . 138 GLY H . 53592 1 407 . 1 . 1 139 139 GLY CA C 13 46.481 0.400 . 1 . . . . . 138 GLY CA . 53592 1 408 . 1 . 1 139 139 GLY N N 15 110.931 0.400 . 1 . . . . . 138 GLY N . 53592 1 409 . 1 . 1 140 140 ILE H H 1 8.055 0.020 . 1 . . . . . 139 ILE H . 53592 1 410 . 1 . 1 140 140 ILE CA C 13 58.481 0.400 . 1 . . . . . 139 ILE CA . 53592 1 411 . 1 . 1 140 140 ILE CB C 13 38.532 0.400 . 1 . . . . . 139 ILE CB . 53592 1 412 . 1 . 1 140 140 ILE N N 15 112.917 0.400 . 1 . . . . . 139 ILE N . 53592 1 413 . 1 . 1 141 141 PRO CA C 13 62.304 0.400 . 1 . . . . . 140 PRO CA . 53592 1 414 . 1 . 1 141 141 PRO CB C 13 33.115 0.400 . 1 . . . . . 140 PRO CB . 53592 1 415 . 1 . 1 142 142 PHE H H 1 8.289 0.020 . 1 . . . . . 141 PHE H . 53592 1 416 . 1 . 1 142 142 PHE CA C 13 54.715 0.400 . 1 . . . . . 141 PHE CA . 53592 1 417 . 1 . 1 142 142 PHE CB C 13 42.358 0.400 . 1 . . . . . 141 PHE CB . 53592 1 418 . 1 . 1 142 142 PHE N N 15 120.181 0.400 . 1 . . . . . 141 PHE N . 53592 1 419 . 1 . 1 143 143 ILE H H 1 8.375 0.020 . 1 . . . . . 142 ILE H . 53592 1 420 . 1 . 1 143 143 ILE CA C 13 59.253 0.400 . 1 . . . . . 142 ILE CA . 53592 1 421 . 1 . 1 143 143 ILE CB C 13 42.393 0.400 . 1 . . . . . 142 ILE CB . 53592 1 422 . 1 . 1 143 143 ILE N N 15 129.678 0.400 . 1 . . . . . 142 ILE N . 53592 1 423 . 1 . 1 144 144 GLU H H 1 7.905 0.020 . 1 . . . . . 143 GLU H . 53592 1 424 . 1 . 1 144 144 GLU CA C 13 55.266 0.400 . 1 . . . . . 143 GLU CA . 53592 1 425 . 1 . 1 144 144 GLU CB C 13 31.109 0.400 . 1 . . . . . 143 GLU CB . 53592 1 426 . 1 . 1 144 144 GLU N N 15 125.013 0.400 . 1 . . . . . 143 GLU N . 53592 1 427 . 1 . 1 145 145 THR H H 1 8.851 0.020 . 1 . . . . . 144 THR H . 53592 1 428 . 1 . 1 145 145 THR CA C 13 59.700 0.400 . 1 . . . . . 144 THR CA . 53592 1 429 . 1 . 1 145 145 THR CB C 13 73.597 0.400 . 1 . . . . . 144 THR CB . 53592 1 430 . 1 . 1 145 145 THR N N 15 113.564 0.400 . 1 . . . . . 144 THR N . 53592 1 431 . 1 . 1 146 146 SER H H 1 8.662 0.020 . 1 . . . . . 145 SER H . 53592 1 432 . 1 . 1 146 146 SER CA C 13 57.531 0.400 . 1 . . . . . 145 SER CA . 53592 1 433 . 1 . 1 146 146 SER CB C 13 64.388 0.400 . 1 . . . . . 145 SER CB . 53592 1 434 . 1 . 1 146 146 SER N N 15 112.018 0.400 . 1 . . . . . 145 SER N . 53592 1 435 . 1 . 1 147 147 ALA H H 1 9.172 0.020 . 1 . . . . . 146 ALA H . 53592 1 436 . 1 . 1 147 147 ALA CA C 13 54.466 0.400 . 1 . . . . . 146 ALA CA . 53592 1 437 . 1 . 1 147 147 ALA CB C 13 18.460 0.400 . 1 . . . . . 146 ALA CB . 53592 1 438 . 1 . 1 147 147 ALA N N 15 132.242 0.400 . 1 . . . . . 146 ALA N . 53592 1 439 . 1 . 1 148 148 LYS H H 1 7.014 0.020 . 1 . . . . . 147 LYS H . 53592 1 440 . 1 . 1 148 148 LYS CA C 13 58.287 0.400 . 1 . . . . . 147 LYS CA . 53592 1 441 . 1 . 1 148 148 LYS CB C 13 33.798 0.400 . 1 . . . . . 147 LYS CB . 53592 1 442 . 1 . 1 148 148 LYS N N 15 116.488 0.400 . 1 . . . . . 147 LYS N . 53592 1 443 . 1 . 1 149 149 THR H H 1 7.661 0.020 . 1 . . . . . 148 THR H . 53592 1 444 . 1 . 1 149 149 THR CA C 13 61.223 0.400 . 1 . . . . . 148 THR CA . 53592 1 445 . 1 . 1 149 149 THR CB C 13 69.483 0.400 . 1 . . . . . 148 THR CB . 53592 1 446 . 1 . 1 149 149 THR N N 15 106.232 0.400 . 1 . . . . . 148 THR N . 53592 1 447 . 1 . 1 150 150 ARG H H 1 7.752 0.020 . 1 . . . . . 149 ARG H . 53592 1 448 . 1 . 1 150 150 ARG CA C 13 58.761 0.400 . 1 . . . . . 149 ARG CA . 53592 1 449 . 1 . 1 150 150 ARG CB C 13 30.673 0.400 . 1 . . . . . 149 ARG CB . 53592 1 450 . 1 . 1 150 150 ARG N N 15 119.996 0.400 . 1 . . . . . 149 ARG N . 53592 1 451 . 1 . 1 151 151 GLN H H 1 7.807 0.020 . 1 . . . . . 150 GLN H . 53592 1 452 . 1 . 1 151 151 GLN CA C 13 57.318 0.400 . 1 . . . . . 150 GLN CA . 53592 1 453 . 1 . 1 151 151 GLN CB C 13 28.914 0.400 . 1 . . . . . 150 GLN CB . 53592 1 454 . 1 . 1 151 151 GLN N N 15 123.956 0.400 . 1 . . . . . 150 GLN N . 53592 1 455 . 1 . 1 152 152 GLY H H 1 8.916 0.020 . 1 . . . . . 151 GLY H . 53592 1 456 . 1 . 1 152 152 GLY CA C 13 46.795 0.400 . 1 . . . . . 151 GLY CA . 53592 1 457 . 1 . 1 152 152 GLY N N 15 115.123 0.400 . 1 . . . . . 151 GLY N . 53592 1 458 . 1 . 1 153 153 VAL H H 1 7.025 0.020 . 1 . . . . . 152 VAL H . 53592 1 459 . 1 . 1 153 153 VAL CA C 13 68.190 0.400 . 1 . . . . . 152 VAL CA . 53592 1 460 . 1 . 1 153 153 VAL CB C 13 31.680 0.400 . 1 . . . . . 152 VAL CB . 53592 1 461 . 1 . 1 153 153 VAL N N 15 120.235 0.400 . 1 . . . . . 152 VAL N . 53592 1 462 . 1 . 1 154 154 ASP H H 1 7.943 0.020 . 1 . . . . . 153 ASP H . 53592 1 463 . 1 . 1 154 154 ASP CA C 13 57.430 0.400 . 1 . . . . . 153 ASP CA . 53592 1 464 . 1 . 1 154 154 ASP CB C 13 39.312 0.400 . 1 . . . . . 153 ASP CB . 53592 1 465 . 1 . 1 154 154 ASP N N 15 117.147 0.400 . 1 . . . . . 153 ASP N . 53592 1 466 . 1 . 1 155 155 ASP H H 1 8.038 0.020 . 1 . . . . . 154 ASP H . 53592 1 467 . 1 . 1 155 155 ASP CA C 13 57.191 0.400 . 1 . . . . . 154 ASP CA . 53592 1 468 . 1 . 1 155 155 ASP CB C 13 40.189 0.400 . 1 . . . . . 154 ASP CB . 53592 1 469 . 1 . 1 155 155 ASP N N 15 116.109 0.400 . 1 . . . . . 154 ASP N . 53592 1 470 . 1 . 1 156 156 ALA H H 1 8.562 0.020 . 1 . . . . . 155 ALA H . 53592 1 471 . 1 . 1 156 156 ALA CA C 13 56.261 0.400 . 1 . . . . . 155 ALA CA . 53592 1 472 . 1 . 1 156 156 ALA CB C 13 17.305 0.400 . 1 . . . . . 155 ALA CB . 53592 1 473 . 1 . 1 156 156 ALA N N 15 124.688 0.400 . 1 . . . . . 155 ALA N . 53592 1 474 . 1 . 1 157 157 PHE H H 1 7.222 0.020 . 1 . . . . . 156 PHE H . 53592 1 475 . 1 . 1 157 157 PHE CA C 13 62.928 0.400 . 1 . . . . . 156 PHE CA . 53592 1 476 . 1 . 1 157 157 PHE CB C 13 39.394 0.400 . 1 . . . . . 156 PHE CB . 53592 1 477 . 1 . 1 157 157 PHE N N 15 112.901 0.400 . 1 . . . . . 156 PHE N . 53592 1 478 . 1 . 1 158 158 TYR H H 1 9.495 0.020 . 1 . . . . . 157 TYR H . 53592 1 479 . 1 . 1 158 158 TYR CA C 13 58.683 0.400 . 1 . . . . . 157 TYR CA . 53592 1 480 . 1 . 1 158 158 TYR CB C 13 35.437 0.400 . 1 . . . . . 157 TYR CB . 53592 1 481 . 1 . 1 158 158 TYR N N 15 119.440 0.400 . 1 . . . . . 157 TYR N . 53592 1 482 . 1 . 1 159 159 THR H H 1 8.595 0.020 . 1 . . . . . 158 THR H . 53592 1 483 . 1 . 1 159 159 THR CA C 13 67.772 0.400 . 1 . . . . . 158 THR CA . 53592 1 484 . 1 . 1 159 159 THR N N 15 116.522 0.400 . 1 . . . . . 158 THR N . 53592 1 485 . 1 . 1 160 160 LEU H H 1 7.304 0.020 . 1 . . . . . 159 LEU H . 53592 1 486 . 1 . 1 160 160 LEU CA C 13 57.905 0.400 . 1 . . . . . 159 LEU CA . 53592 1 487 . 1 . 1 160 160 LEU CB C 13 40.130 0.400 . 1 . . . . . 159 LEU CB . 53592 1 488 . 1 . 1 160 160 LEU N N 15 121.908 0.400 . 1 . . . . . 159 LEU N . 53592 1 489 . 1 . 1 161 161 VAL H H 1 7.660 0.020 . 1 . . . . . 160 VAL H . 53592 1 490 . 1 . 1 161 161 VAL CA C 13 67.561 0.400 . 1 . . . . . 160 VAL CA . 53592 1 491 . 1 . 1 161 161 VAL CB C 13 30.714 0.400 . 1 . . . . . 160 VAL CB . 53592 1 492 . 1 . 1 161 161 VAL N N 15 119.692 0.400 . 1 . . . . . 160 VAL N . 53592 1 493 . 1 . 1 162 162 ARG H H 1 8.094 0.020 . 1 . . . . . 161 ARG H . 53592 1 494 . 1 . 1 162 162 ARG CA C 13 60.788 0.400 . 1 . . . . . 161 ARG CA . 53592 1 495 . 1 . 1 162 162 ARG CB C 13 29.384 0.400 . 1 . . . . . 161 ARG CB . 53592 1 496 . 1 . 1 162 162 ARG N N 15 118.651 0.400 . 1 . . . . . 161 ARG N . 53592 1 497 . 1 . 1 163 163 GLU H H 1 8.306 0.020 . 1 . . . . . 162 GLU H . 53592 1 498 . 1 . 1 163 163 GLU CA C 13 58.928 0.400 . 1 . . . . . 162 GLU CA . 53592 1 499 . 1 . 1 163 163 GLU CB C 13 30.347 0.400 . 1 . . . . . 162 GLU CB . 53592 1 500 . 1 . 1 163 163 GLU N N 15 119.251 0.400 . 1 . . . . . 162 GLU N . 53592 1 501 . 1 . 1 164 164 ILE H H 1 8.413 0.020 . 1 . . . . . 163 ILE H . 53592 1 502 . 1 . 1 164 164 ILE CA C 13 66.279 0.400 . 1 . . . . . 163 ILE CA . 53592 1 503 . 1 . 1 164 164 ILE CB C 13 38.060 0.400 . 1 . . . . . 163 ILE CB . 53592 1 504 . 1 . 1 164 164 ILE N N 15 123.129 0.400 . 1 . . . . . 163 ILE N . 53592 1 505 . 1 . 1 165 165 ARG H H 1 8.684 0.020 . 1 . . . . . 164 ARG H . 53592 1 506 . 1 . 1 165 165 ARG CA C 13 60.233 0.400 . 1 . . . . . 164 ARG CA . 53592 1 507 . 1 . 1 165 165 ARG CB C 13 30.712 0.400 . 1 . . . . . 164 ARG CB . 53592 1 508 . 1 . 1 165 165 ARG N N 15 119.845 0.400 . 1 . . . . . 164 ARG N . 53592 1 509 . 1 . 1 166 166 LYS H H 1 7.848 0.020 . 1 . . . . . 165 LYS H . 53592 1 510 . 1 . 1 166 166 LYS CA C 13 58.929 0.400 . 1 . . . . . 165 LYS CA . 53592 1 511 . 1 . 1 166 166 LYS CB C 13 32.660 0.400 . 1 . . . . . 165 LYS CB . 53592 1 512 . 1 . 1 166 166 LYS N N 15 117.016 0.400 . 1 . . . . . 165 LYS N . 53592 1 513 . 1 . 1 167 167 HIS H H 1 7.807 0.020 . 1 . . . . . 166 HIS H . 53592 1 514 . 1 . 1 167 167 HIS CA C 13 57.763 0.400 . 1 . . . . . 166 HIS CA . 53592 1 515 . 1 . 1 167 167 HIS CB C 13 29.372 0.400 . 1 . . . . . 166 HIS CB . 53592 1 516 . 1 . 1 167 167 HIS N N 15 116.859 0.400 . 1 . . . . . 166 HIS N . 53592 1 517 . 1 . 1 168 168 LYS H H 1 8.001 0.020 . 1 . . . . . 167 LYS H . 53592 1 518 . 1 . 1 168 168 LYS CA C 13 57.460 0.400 . 1 . . . . . 167 LYS CA . 53592 1 519 . 1 . 1 168 168 LYS CB C 13 33.338 0.400 . 1 . . . . . 167 LYS CB . 53592 1 520 . 1 . 1 168 168 LYS N N 15 119.563 0.400 . 1 . . . . . 167 LYS N . 53592 1 521 . 1 . 1 169 169 GLU H H 1 7.941 0.020 . 1 . . . . . 168 GLU H . 53592 1 522 . 1 . 1 169 169 GLU CA C 13 56.674 0.400 . 1 . . . . . 168 GLU CA . 53592 1 523 . 1 . 1 169 169 GLU CB C 13 30.135 0.400 . 1 . . . . . 168 GLU CB . 53592 1 524 . 1 . 1 169 169 GLU N N 15 120.139 0.400 . 1 . . . . . 168 GLU N . 53592 1 525 . 1 . 1 170 170 LYS H H 1 7.667 0.020 . 1 . . . . . 169 LYS H . 53592 1 526 . 1 . 1 170 170 LYS CA C 13 58.034 0.400 . 1 . . . . . 169 LYS CA . 53592 1 527 . 1 . 1 170 170 LYS CB C 13 33.575 0.400 . 1 . . . . . 169 LYS CB . 53592 1 528 . 1 . 1 170 170 LYS N N 15 126.600 0.400 . 1 . . . . . 169 LYS N . 53592 1 stop_ save_