################################### # 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 27099 _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 (H)CANH' . . . 27099 1 3 '3D (H)CNONH' . . . 27099 1 4 '3D (H)N(CACO)NH' . . . 27099 1 5 '4D (H)COCANH' . . . 27099 1 6 '4D (H)CBCANH' . . . 27099 1 7 '4D (H)CACONH' . . . 27099 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 7 7 PRO C C 13 175.901 0.010 . 1 . . . . 5 PRO C . 27099 1 2 . 1 1 7 7 PRO CA C 13 62.298 0.000 . 1 . . . . 5 PRO CA . 27099 1 3 . 1 1 8 8 ILE H H 1 8.401 0.016 . 1 . . . . 6 ILE H . 27099 1 4 . 1 1 8 8 ILE C C 13 175.735 0.031 . 1 . . . . 6 ILE C . 27099 1 5 . 1 1 8 8 ILE CA C 13 62.437 0.121 . 1 . . . . 6 ILE CA . 27099 1 6 . 1 1 8 8 ILE CB C 13 38.633 0.000 . 1 . . . . 6 ILE CB . 27099 1 7 . 1 1 8 8 ILE N N 15 122.284 0.120 . 1 . . . . 6 ILE N . 27099 1 8 . 1 1 9 9 MET H H 1 9.276 0.020 . 1 . . . . 7 MET H . 27099 1 9 . 1 1 9 9 MET C C 13 178.302 0.047 . 1 . . . . 7 MET C . 27099 1 10 . 1 1 9 9 MET CA C 13 52.703 0.133 . 1 . . . . 7 MET CA . 27099 1 11 . 1 1 9 9 MET CB C 13 29.529 0.000 . 1 . . . . 7 MET CB . 27099 1 12 . 1 1 9 9 MET N N 15 127.298 0.111 . 1 . . . . 7 MET N . 27099 1 13 . 1 1 10 10 GLY H H 1 9.068 0.012 . 1 . . . . 8 GLY H . 27099 1 14 . 1 1 10 10 GLY C C 13 177.162 0.044 . 1 . . . . 8 GLY C . 27099 1 15 . 1 1 10 10 GLY CA C 13 47.543 0.101 . 1 . . . . 8 GLY CA . 27099 1 16 . 1 1 10 10 GLY N N 15 112.713 0.126 . 1 . . . . 8 GLY N . 27099 1 17 . 1 1 11 11 GLN H H 1 9.150 0.018 . 1 . . . . 9 GLN H . 27099 1 18 . 1 1 11 11 GLN C C 13 175.252 0.038 . 1 . . . . 9 GLN C . 27099 1 19 . 1 1 11 11 GLN CA C 13 57.836 0.117 . 1 . . . . 9 GLN CA . 27099 1 20 . 1 1 11 11 GLN CB C 13 27.847 0.000 . 1 . . . . 9 GLN CB . 27099 1 21 . 1 1 11 11 GLN N N 15 116.050 0.143 . 1 . . . . 9 GLN N . 27099 1 22 . 1 1 12 12 ASP H H 1 7.580 0.025 . 1 . . . . 10 ASP H . 27099 1 23 . 1 1 12 12 ASP C C 13 176.663 0.014 . 1 . . . . 10 ASP C . 27099 1 24 . 1 1 12 12 ASP CA C 13 54.955 0.137 . 1 . . . . 10 ASP CA . 27099 1 25 . 1 1 12 12 ASP CB C 13 41.153 0.000 . 1 . . . . 10 ASP CB . 27099 1 26 . 1 1 12 12 ASP N N 15 114.313 0.148 . 1 . . . . 10 ASP N . 27099 1 27 . 1 1 13 13 VAL H H 1 7.710 0.016 . 1 . . . . 11 VAL H . 27099 1 28 . 1 1 13 13 VAL C C 13 174.535 0.016 . 1 . . . . 11 VAL C . 27099 1 29 . 1 1 13 13 VAL CA C 13 61.468 0.132 . 1 . . . . 11 VAL CA . 27099 1 30 . 1 1 13 13 VAL CB C 13 30.578 0.000 . 1 . . . . 11 VAL CB . 27099 1 31 . 1 1 13 13 VAL N N 15 125.599 0.090 . 1 . . . . 11 VAL N . 27099 1 32 . 1 1 14 14 LYS H H 1 8.967 0.016 . 1 . . . . 12 LYS H . 27099 1 33 . 1 1 14 14 LYS C C 13 174.148 0.014 . 1 . . . . 12 LYS C . 27099 1 34 . 1 1 14 14 LYS CA C 13 54.594 0.112 . 1 . . . . 12 LYS CA . 27099 1 35 . 1 1 14 14 LYS CB C 13 34.238 0.000 . 1 . . . . 12 LYS CB . 27099 1 36 . 1 1 14 14 LYS N N 15 125.442 0.146 . 1 . . . . 12 LYS N . 27099 1 37 . 1 1 15 15 TYR H H 1 8.305 0.033 . 1 . . . . 13 TYR H . 27099 1 38 . 1 1 15 15 TYR C C 13 175.239 0.016 . 1 . . . . 13 TYR C . 27099 1 39 . 1 1 15 15 TYR CA C 13 57.109 0.062 . 1 . . . . 13 TYR CA . 27099 1 40 . 1 1 15 15 TYR CB C 13 37.228 0.000 . 1 . . . . 13 TYR CB . 27099 1 41 . 1 1 15 15 TYR N N 15 122.899 0.123 . 1 . . . . 13 TYR N . 27099 1 42 . 1 1 16 16 LEU H H 1 9.392 0.008 . 1 . . . . 14 LEU H . 27099 1 43 . 1 1 16 16 LEU C C 13 175.842 0.011 . 1 . . . . 14 LEU C . 27099 1 44 . 1 1 16 16 LEU CA C 13 51.963 0.112 . 1 . . . . 14 LEU CA . 27099 1 45 . 1 1 16 16 LEU CB C 13 43.671 0.000 . 1 . . . . 14 LEU CB . 27099 1 46 . 1 1 16 16 LEU N N 15 122.897 0.130 . 1 . . . . 14 LEU N . 27099 1 47 . 1 1 17 17 PHE H H 1 9.197 0.008 . 1 . . . . 15 PHE H . 27099 1 48 . 1 1 17 17 PHE C C 13 175.101 0.023 . 1 . . . . 15 PHE C . 27099 1 49 . 1 1 17 17 PHE CA C 13 56.275 0.096 . 1 . . . . 15 PHE CA . 27099 1 50 . 1 1 17 17 PHE CB C 13 44.433 0.000 . 1 . . . . 15 PHE CB . 27099 1 51 . 1 1 17 17 PHE N N 15 116.077 0.132 . 1 . . . . 15 PHE N . 27099 1 52 . 1 1 18 18 GLN H H 1 9.328 0.011 . 1 . . . . 16 GLN H . 27099 1 53 . 1 1 18 18 GLN C C 13 173.543 0.000 . 1 . . . . 16 GLN C . 27099 1 54 . 1 1 18 18 GLN CA C 13 56.359 0.110 . 1 . . . . 16 GLN CA . 27099 1 55 . 1 1 18 18 GLN CB C 13 34.612 0.000 . 1 . . . . 16 GLN CB . 27099 1 56 . 1 1 18 18 GLN N N 15 119.511 0.148 . 1 . . . . 16 GLN N . 27099 1 57 . 1 1 19 19 SER H H 1 9.921 0.024 . 1 . . . . 17 SER H . 27099 1 58 . 1 1 19 19 SER C C 13 178.400 0.020 . 1 . . . . 17 SER C . 27099 1 59 . 1 1 19 19 SER CA C 13 57.394 0.120 . 1 . . . . 17 SER CA . 27099 1 60 . 1 1 19 19 SER CB C 13 63.188 0.000 . 1 . . . . 17 SER CB . 27099 1 61 . 1 1 19 19 SER N N 15 123.005 0.127 . 1 . . . . 17 SER N . 27099 1 62 . 1 1 20 20 ILE H H 1 9.487 0.030 . 1 . . . . 18 ILE H . 27099 1 63 . 1 1 20 20 ILE C C 13 175.362 0.039 . 1 . . . . 18 ILE C . 27099 1 64 . 1 1 20 20 ILE CA C 13 64.271 0.125 . 1 . . . . 18 ILE CA . 27099 1 65 . 1 1 20 20 ILE N N 15 122.163 0.146 . 1 . . . . 18 ILE N . 27099 1 66 . 1 1 21 21 ASP H H 1 8.242 0.013 . 1 . . . . 19 ASP H . 27099 1 67 . 1 1 21 21 ASP C C 13 176.768 0.023 . 1 . . . . 19 ASP C . 27099 1 68 . 1 1 21 21 ASP CA C 13 53.781 0.103 . 1 . . . . 19 ASP CA . 27099 1 69 . 1 1 21 21 ASP CB C 13 40.594 0.000 . 1 . . . . 19 ASP CB . 27099 1 70 . 1 1 21 21 ASP N N 15 117.490 0.134 . 1 . . . . 19 ASP N . 27099 1 71 . 1 1 22 22 ALA H H 1 7.233 0.011 . 1 . . . . 20 ALA H . 27099 1 72 . 1 1 22 22 ALA C C 13 178.640 0.010 . 1 . . . . 20 ALA C . 27099 1 73 . 1 1 22 22 ALA CA C 13 52.616 0.105 . 1 . . . . 20 ALA CA . 27099 1 74 . 1 1 22 22 ALA CB C 13 17.828 0.000 . 1 . . . . 20 ALA CB . 27099 1 75 . 1 1 22 22 ALA N N 15 122.599 0.120 . 1 . . . . 20 ALA N . 27099 1 76 . 1 1 23 23 ALA H H 1 8.816 0.029 . 1 . . . . 21 ALA H . 27099 1 77 . 1 1 23 23 ALA C C 13 180.033 0.012 . 1 . . . . 21 ALA C . 27099 1 78 . 1 1 23 23 ALA CA C 13 51.575 0.120 . 1 . . . . 21 ALA CA . 27099 1 79 . 1 1 23 23 ALA CB C 13 18.798 0.000 . 1 . . . . 21 ALA CB . 27099 1 80 . 1 1 23 23 ALA N N 15 126.331 0.139 . 1 . . . . 21 ALA N . 27099 1 81 . 1 1 24 24 THR H H 1 9.050 0.034 . 1 . . . . 22 THR H . 27099 1 82 . 1 1 24 24 THR C C 13 176.107 0.036 . 1 . . . . 22 THR C . 27099 1 83 . 1 1 24 24 THR CA C 13 63.250 0.106 . 1 . . . . 22 THR CA . 27099 1 84 . 1 1 24 24 THR CB C 13 67.733 0.000 . 1 . . . . 22 THR CB . 27099 1 85 . 1 1 24 24 THR N N 15 115.106 0.101 . 1 . . . . 22 THR N . 27099 1 86 . 1 1 25 25 GLY H H 1 9.895 0.010 . 1 . . . . 23 GLY H . 27099 1 87 . 1 1 25 25 GLY C C 13 174.704 0.004 . 1 . . . . 23 GLY C . 27099 1 88 . 1 1 25 25 GLY CA C 13 44.291 0.121 . 1 . . . . 23 GLY CA . 27099 1 89 . 1 1 25 25 GLY N N 15 111.309 0.157 . 1 . . . . 23 GLY N . 27099 1 90 . 1 1 26 26 SER H H 1 7.459 0.013 . 1 . . . . 24 SER H . 27099 1 91 . 1 1 26 26 SER C C 13 173.423 0.026 . 1 . . . . 24 SER C . 27099 1 92 . 1 1 26 26 SER CA C 13 59.860 0.111 . 1 . . . . 24 SER CA . 27099 1 93 . 1 1 26 26 SER CB C 13 63.355 0.000 . 1 . . . . 24 SER CB . 27099 1 94 . 1 1 26 26 SER N N 15 115.828 0.141 . 1 . . . . 24 SER N . 27099 1 95 . 1 1 27 27 ALA H H 1 8.568 0.014 . 1 . . . . 25 ALA H . 27099 1 96 . 1 1 27 27 ALA C C 13 175.904 0.000 . 1 . . . . 25 ALA C . 27099 1 97 . 1 1 27 27 ALA CA C 13 49.984 0.104 . 1 . . . . 25 ALA CA . 27099 1 98 . 1 1 27 27 ALA CB C 13 17.128 0.000 . 1 . . . . 25 ALA CB . 27099 1 99 . 1 1 27 27 ALA N N 15 126.514 0.102 . 1 . . . . 25 ALA N . 27099 1 100 . 1 1 28 28 PRO C C 13 173.325 0.059 . 1 . . . . 26 PRO C . 27099 1 101 . 1 1 28 28 PRO CA C 13 61.966 0.000 . 1 . . . . 26 PRO CA . 27099 1 102 . 1 1 29 29 LEU H H 1 9.156 0.010 . 1 . . . . 27 LEU H . 27099 1 103 . 1 1 29 29 LEU C C 13 176.547 0.029 . 1 . . . . 27 LEU C . 27099 1 104 . 1 1 29 29 LEU CA C 13 52.962 0.104 . 1 . . . . 27 LEU CA . 27099 1 105 . 1 1 29 29 LEU CB C 13 43.561 0.000 . 1 . . . . 27 LEU CB . 27099 1 106 . 1 1 29 29 LEU N N 15 115.277 0.168 . 1 . . . . 27 LEU N . 27099 1 107 . 1 1 30 30 PHE H H 1 9.356 0.015 . 1 . . . . 28 PHE H . 27099 1 108 . 1 1 30 30 PHE C C 13 172.720 0.000 . 1 . . . . 28 PHE C . 27099 1 109 . 1 1 30 30 PHE CA C 13 50.631 0.039 . 1 . . . . 28 PHE CA . 27099 1 110 . 1 1 30 30 PHE CB C 13 39.244 0.000 . 1 . . . . 28 PHE CB . 27099 1 111 . 1 1 30 30 PHE N N 15 123.024 0.322 . 1 . . . . 28 PHE N . 27099 1 112 . 1 1 31 31 PRO C C 13 175.664 0.057 . 1 . . . . 29 PRO C . 27099 1 113 . 1 1 31 31 PRO CA C 13 62.922 0.000 . 1 . . . . 29 PRO CA . 27099 1 114 . 1 1 32 32 ALA H H 1 7.917 0.018 . 1 . . . . 30 ALA H . 27099 1 115 . 1 1 32 32 ALA C C 13 174.582 0.024 . 1 . . . . 30 ALA C . 27099 1 116 . 1 1 32 32 ALA CA C 13 52.125 0.130 . 1 . . . . 30 ALA CA . 27099 1 117 . 1 1 32 32 ALA CB C 13 20.174 0.000 . 1 . . . . 30 ALA CB . 27099 1 118 . 1 1 32 32 ALA N N 15 126.768 0.106 . 1 . . . . 30 ALA N . 27099 1 119 . 1 1 33 33 TYR H H 1 8.541 0.013 . 1 . . . . 31 TYR H . 27099 1 120 . 1 1 33 33 TYR C C 13 176.308 0.038 . 1 . . . . 31 TYR C . 27099 1 121 . 1 1 33 33 TYR CA C 13 53.716 0.091 . 1 . . . . 31 TYR CA . 27099 1 122 . 1 1 33 33 TYR CB C 13 33.029 0.000 . 1 . . . . 31 TYR CB . 27099 1 123 . 1 1 33 33 TYR N N 15 107.565 0.125 . 1 . . . . 31 TYR N . 27099 1 124 . 1 1 34 34 GLN H H 1 9.850 0.023 . 1 . . . . 32 GLN H . 27099 1 125 . 1 1 34 34 GLN C C 13 178.152 0.018 . 1 . . . . 32 GLN C . 27099 1 126 . 1 1 34 34 GLN CA C 13 57.506 0.107 . 1 . . . . 32 GLN CA . 27099 1 127 . 1 1 34 34 GLN CB C 13 28.992 0.000 . 1 . . . . 32 GLN CB . 27099 1 128 . 1 1 34 34 GLN N N 15 116.498 0.166 . 1 . . . . 32 GLN N . 27099 1 129 . 1 1 35 35 THR H H 1 9.119 0.011 . 1 . . . . 33 THR H . 27099 1 130 . 1 1 35 35 THR C C 13 174.964 0.000 . 1 . . . . 33 THR C . 27099 1 131 . 1 1 35 35 THR CA C 13 60.847 0.122 . 1 . . . . 33 THR CA . 27099 1 132 . 1 1 35 35 THR CG2 C 13 21.420 0.000 . 1 . . . . 33 THR CG2 . 27099 1 133 . 1 1 35 35 THR N N 15 112.325 0.108 . 1 . . . . 33 THR N . 27099 1 134 . 1 1 36 36 ASP C C 13 175.507 0.014 . 1 . . . . 34 ASP C . 27099 1 135 . 1 1 36 36 ASP CA C 13 52.762 0.000 . 1 . . . . 34 ASP CA . 27099 1 136 . 1 1 37 37 GLY H H 1 8.437 0.025 . 1 . . . . 35 GLY H . 27099 1 137 . 1 1 37 37 GLY C C 13 170.795 0.020 . 1 . . . . 35 GLY C . 27099 1 138 . 1 1 37 37 GLY CA C 13 45.466 0.106 . 1 . . . . 35 GLY CA . 27099 1 139 . 1 1 37 37 GLY N N 15 113.580 0.114 . 1 . . . . 35 GLY N . 27099 1 140 . 1 1 38 38 SER H H 1 9.423 0.011 . 1 . . . . 36 SER H . 27099 1 141 . 1 1 38 38 SER C C 13 173.953 0.026 . 1 . . . . 36 SER C . 27099 1 142 . 1 1 38 38 SER CA C 13 57.776 0.124 . 1 . . . . 36 SER CA . 27099 1 143 . 1 1 38 38 SER CB C 13 65.676 0.000 . 1 . . . . 36 SER CB . 27099 1 144 . 1 1 38 38 SER N N 15 117.944 0.162 . 1 . . . . 36 SER N . 27099 1 145 . 1 1 39 39 VAL H H 1 8.192 0.010 . 1 . . . . 37 VAL H . 27099 1 146 . 1 1 39 39 VAL C C 13 174.629 0.033 . 1 . . . . 37 VAL C . 27099 1 147 . 1 1 39 39 VAL CA C 13 61.397 0.106 . 1 . . . . 37 VAL CA . 27099 1 148 . 1 1 39 39 VAL CB C 13 35.771 0.000 . 1 . . . . 37 VAL CB . 27099 1 149 . 1 1 39 39 VAL N N 15 116.800 0.151 . 1 . . . . 37 VAL N . 27099 1 150 . 1 1 40 40 SER H H 1 9.200 0.012 . 1 . . . . 38 SER H . 27099 1 151 . 1 1 40 40 SER C C 13 172.610 0.040 . 1 . . . . 38 SER C . 27099 1 152 . 1 1 40 40 SER CA C 13 56.909 0.107 . 1 . . . . 38 SER CA . 27099 1 153 . 1 1 40 40 SER CB C 13 64.114 0.000 . 1 . . . . 38 SER CB . 27099 1 154 . 1 1 40 40 SER N N 15 120.904 0.128 . 1 . . . . 38 SER N . 27099 1 155 . 1 1 41 41 GLY H H 1 8.535 0.013 . 1 . . . . 39 GLY H . 27099 1 156 . 1 1 41 41 GLY C C 13 173.206 0.018 . 1 . . . . 39 GLY C . 27099 1 157 . 1 1 41 41 GLY CA C 13 45.922 0.119 . 1 . . . . 39 GLY CA . 27099 1 158 . 1 1 41 41 GLY N N 15 114.895 0.152 . 1 . . . . 39 GLY N . 27099 1 159 . 1 1 42 42 GLU H H 1 8.552 0.012 . 1 . . . . 40 GLU H . 27099 1 160 . 1 1 42 42 GLU C C 13 175.337 0.000 . 1 . . . . 40 GLU C . 27099 1 161 . 1 1 42 42 GLU CA C 13 54.763 0.136 . 1 . . . . 40 GLU CA . 27099 1 162 . 1 1 42 42 GLU CB C 13 32.724 0.000 . 1 . . . . 40 GLU CB . 27099 1 163 . 1 1 42 42 GLU N N 15 122.707 0.173 . 1 . . . . 40 GLU N . 27099 1 164 . 1 1 46 46 PHE C C 13 173.881 0.013 . 1 . . . . 44 PHE C . 27099 1 165 . 1 1 46 46 PHE CA C 13 57.863 0.000 . 1 . . . . 44 PHE CA . 27099 1 166 . 1 1 47 47 ASP H H 1 8.239 0.025 . 1 . . . . 45 ASP H . 27099 1 167 . 1 1 47 47 ASP C C 13 175.522 0.022 . 1 . . . . 45 ASP C . 27099 1 168 . 1 1 47 47 ASP CA C 13 52.516 0.098 . 1 . . . . 45 ASP CA . 27099 1 169 . 1 1 47 47 ASP CB C 13 40.747 0.000 . 1 . . . . 45 ASP CB . 27099 1 170 . 1 1 47 47 ASP N N 15 128.897 0.114 . 1 . . . . 45 ASP N . 27099 1 171 . 1 1 48 48 GLU H H 1 8.297 0.042 . 1 . . . . 46 GLU H . 27099 1 172 . 1 1 48 48 GLU C C 13 175.819 0.041 . 1 . . . . 46 GLU C . 27099 1 173 . 1 1 48 48 GLU CA C 13 52.953 0.116 . 1 . . . . 46 GLU CA . 27099 1 174 . 1 1 48 48 GLU CB C 13 33.603 0.000 . 1 . . . . 46 GLU CB . 27099 1 175 . 1 1 48 48 GLU N N 15 119.758 0.140 . 1 . . . . 46 GLU N . 27099 1 176 . 1 1 49 49 GLN H H 1 8.728 0.011 . 1 . . . . 47 GLN H . 27099 1 177 . 1 1 49 49 GLN C C 13 175.645 0.006 . 1 . . . . 47 GLN C . 27099 1 178 . 1 1 49 49 GLN CA C 13 55.419 0.105 . 1 . . . . 47 GLN CA . 27099 1 179 . 1 1 49 49 GLN CB C 13 29.011 0.000 . 1 . . . . 47 GLN CB . 27099 1 180 . 1 1 49 49 GLN N N 15 119.547 0.169 . 1 . . . . 47 GLN N . 27099 1 181 . 1 1 50 50 THR H H 1 7.585 0.025 . 1 . . . . 48 THR H . 27099 1 182 . 1 1 50 50 THR C C 13 177.206 0.010 . 1 . . . . 48 THR C . 27099 1 183 . 1 1 50 50 THR CA C 13 60.436 0.101 . 1 . . . . 48 THR CA . 27099 1 184 . 1 1 50 50 THR N N 15 109.498 0.159 . 1 . . . . 48 THR N . 27099 1 185 . 1 1 51 51 LYS H H 1 9.710 0.019 . 1 . . . . 49 LYS H . 27099 1 186 . 1 1 51 51 LYS C C 13 174.990 0.072 . 1 . . . . 49 LYS C . 27099 1 187 . 1 1 51 51 LYS CA C 13 58.872 0.105 . 1 . . . . 49 LYS CA . 27099 1 188 . 1 1 51 51 LYS CB C 13 30.141 0.000 . 1 . . . . 49 LYS CB . 27099 1 189 . 1 1 51 51 LYS N N 15 118.767 0.107 . 1 . . . . 49 LYS N . 27099 1 190 . 1 1 52 52 ASN H H 1 8.645 0.009 . 1 . . . . 50 ASN H . 27099 1 191 . 1 1 52 52 ASN C C 13 174.001 0.058 . 1 . . . . 50 ASN C . 27099 1 192 . 1 1 52 52 ASN CA C 13 54.382 0.135 . 1 . . . . 50 ASN CA . 27099 1 193 . 1 1 52 52 ASN CB C 13 39.974 0.000 . 1 . . . . 50 ASN CB . 27099 1 194 . 1 1 52 52 ASN N N 15 114.933 0.124 . 1 . . . . 50 ASN N . 27099 1 195 . 1 1 53 53 GLY H H 1 7.801 0.015 . 1 . . . . 51 GLY H . 27099 1 196 . 1 1 53 53 GLY C C 13 173.467 0.020 . 1 . . . . 51 GLY C . 27099 1 197 . 1 1 53 53 GLY CA C 13 43.395 0.110 . 1 . . . . 51 GLY CA . 27099 1 198 . 1 1 53 53 GLY N N 15 108.425 0.121 . 1 . . . . 51 GLY N . 27099 1 199 . 1 1 54 54 ARG H H 1 8.742 0.014 . 1 . . . . 52 ARG H . 27099 1 200 . 1 1 54 54 ARG C C 13 176.186 0.028 . 1 . . . . 52 ARG C . 27099 1 201 . 1 1 54 54 ARG CA C 13 56.346 0.101 . 1 . . . . 52 ARG CA . 27099 1 202 . 1 1 54 54 ARG CB C 13 30.884 0.000 . 1 . . . . 52 ARG CB . 27099 1 203 . 1 1 54 54 ARG N N 15 123.814 0.135 . 1 . . . . 52 ARG N . 27099 1 204 . 1 1 55 55 ILE H H 1 9.506 0.011 . 1 . . . . 53 ILE H . 27099 1 205 . 1 1 55 55 ILE C C 13 173.081 0.025 . 1 . . . . 53 ILE C . 27099 1 206 . 1 1 55 55 ILE CA C 13 59.811 0.149 . 1 . . . . 53 ILE CA . 27099 1 207 . 1 1 55 55 ILE CB C 13 38.221 0.000 . 1 . . . . 53 ILE CB . 27099 1 208 . 1 1 55 55 ILE N N 15 130.142 0.119 . 1 . . . . 53 ILE N . 27099 1 209 . 1 1 56 56 LEU H H 1 8.152 0.022 . 1 . . . . 54 LEU H . 27099 1 210 . 1 1 56 56 LEU C C 13 177.329 0.035 . 1 . . . . 54 LEU C . 27099 1 211 . 1 1 56 56 LEU CA C 13 52.559 0.131 . 1 . . . . 54 LEU CA . 27099 1 212 . 1 1 56 56 LEU CB C 13 42.333 0.000 . 1 . . . . 54 LEU CB . 27099 1 213 . 1 1 56 56 LEU N N 15 126.073 0.161 . 1 . . . . 54 LEU N . 27099 1 214 . 1 1 61 61 VAL C C 13 175.521 0.020 . 1 . . . . 59 VAL C . 27099 1 215 . 1 1 61 61 VAL CA C 13 60.716 0.000 . 1 . . . . 59 VAL CA . 27099 1 216 . 1 1 62 62 ALA H H 1 8.850 0.011 . 1 . . . . 60 ALA H . 27099 1 217 . 1 1 62 62 ALA C C 13 175.979 0.042 . 1 . . . . 60 ALA C . 27099 1 218 . 1 1 62 62 ALA CA C 13 52.334 0.110 . 1 . . . . 60 ALA CA . 27099 1 219 . 1 1 62 62 ALA N N 15 127.363 0.269 . 1 . . . . 60 ALA N . 27099 1 220 . 1 1 63 63 ASP H H 1 9.882 0.026 . 1 . . . . 61 ASP H . 27099 1 221 . 1 1 63 63 ASP C C 13 175.944 0.018 . 1 . . . . 61 ASP C . 27099 1 222 . 1 1 63 63 ASP CA C 13 53.630 0.088 . 1 . . . . 61 ASP CA . 27099 1 223 . 1 1 63 63 ASP CB C 13 43.700 0.000 . 1 . . . . 61 ASP CB . 27099 1 224 . 1 1 63 63 ASP N N 15 125.002 0.146 . 1 . . . . 61 ASP N . 27099 1 225 . 1 1 64 64 SER H H 1 9.468 0.016 . 1 . . . . 62 SER H . 27099 1 226 . 1 1 64 64 SER C C 13 172.444 0.096 . 1 . . . . 62 SER C . 27099 1 227 . 1 1 64 64 SER CA C 13 57.054 0.135 . 1 . . . . 62 SER CA . 27099 1 228 . 1 1 64 64 SER CB C 13 65.732 0.000 . 1 . . . . 62 SER CB . 27099 1 229 . 1 1 64 64 SER N N 15 115.664 0.129 . 1 . . . . 62 SER N . 27099 1 230 . 1 1 65 65 GLY H H 1 8.771 0.011 . 1 . . . . 63 GLY H . 27099 1 231 . 1 1 65 65 GLY C C 13 171.773 0.022 . 1 . . . . 63 GLY C . 27099 1 232 . 1 1 65 65 GLY CA C 13 45.456 0.093 . 1 . . . . 63 GLY CA . 27099 1 233 . 1 1 65 65 GLY N N 15 104.850 0.145 . 1 . . . . 63 GLY N . 27099 1 234 . 1 1 66 66 GLU H H 1 9.385 0.022 . 1 . . . . 64 GLU H . 27099 1 235 . 1 1 66 66 GLU C C 13 174.512 0.018 . 1 . . . . 64 GLU C . 27099 1 236 . 1 1 66 66 GLU CA C 13 54.945 0.093 . 1 . . . . 64 GLU CA . 27099 1 237 . 1 1 66 66 GLU CB C 13 33.510 0.000 . 1 . . . . 64 GLU CB . 27099 1 238 . 1 1 66 66 GLU N N 15 120.756 0.156 . 1 . . . . 64 GLU N . 27099 1 239 . 1 1 67 67 VAL H H 1 8.108 0.022 . 1 . . . . 65 VAL H . 27099 1 240 . 1 1 67 67 VAL C C 13 173.468 0.018 . 1 . . . . 65 VAL C . 27099 1 241 . 1 1 67 67 VAL CA C 13 61.161 0.120 . 1 . . . . 65 VAL CA . 27099 1 242 . 1 1 67 67 VAL CB C 13 35.273 0.000 . 1 . . . . 65 VAL CB . 27099 1 243 . 1 1 67 67 VAL CG1 C 13 21.062 0.000 . 1 . . . . 65 VAL CG1 . 27099 1 244 . 1 1 67 67 VAL N N 15 117.763 0.164 . 1 . . . . 65 VAL N . 27099 1 245 . 1 1 68 68 THR H H 1 8.067 0.013 . 1 . . . . 66 THR H . 27099 1 246 . 1 1 68 68 THR C C 13 173.073 0.021 . 1 . . . . 66 THR C . 27099 1 247 . 1 1 68 68 THR CA C 13 61.095 0.145 . 1 . . . . 66 THR CA . 27099 1 248 . 1 1 68 68 THR CB C 13 71.207 0.000 . 1 . . . . 66 THR CB . 27099 1 249 . 1 1 68 68 THR CG2 C 13 20.631 0.000 . 1 . . . . 66 THR CG2 . 27099 1 250 . 1 1 68 68 THR N N 15 121.571 0.136 . 1 . . . . 66 THR N . 27099 1 251 . 1 1 69 69 TYR H H 1 8.630 0.011 . 1 . . . . 67 TYR H . 27099 1 252 . 1 1 69 69 TYR C C 13 175.845 0.012 . 1 . . . . 67 TYR C . 27099 1 253 . 1 1 69 69 TYR CA C 13 53.156 0.116 . 1 . . . . 67 TYR CA . 27099 1 254 . 1 1 69 69 TYR CB C 13 39.495 0.000 . 1 . . . . 67 TYR CB . 27099 1 255 . 1 1 69 69 TYR N N 15 123.452 0.143 . 1 . . . . 67 TYR N . 27099 1 256 . 1 1 70 70 TYR H H 1 8.448 0.009 . 1 . . . . 68 TYR H . 27099 1 257 . 1 1 70 70 TYR C C 13 177.858 0.019 . 1 . . . . 68 TYR C . 27099 1 258 . 1 1 70 70 TYR CA C 13 54.091 0.112 . 1 . . . . 68 TYR CA . 27099 1 259 . 1 1 70 70 TYR CB C 13 37.024 0.000 . 1 . . . . 68 TYR CB . 27099 1 260 . 1 1 70 70 TYR N N 15 117.935 0.142 . 1 . . . . 68 TYR N . 27099 1 261 . 1 1 71 71 GLY H H 1 8.730 0.013 . 1 . . . . 69 GLY H . 27099 1 262 . 1 1 71 71 GLY C C 13 172.182 0.028 . 1 . . . . 69 GLY C . 27099 1 263 . 1 1 71 71 GLY CA C 13 46.779 0.109 . 1 . . . . 69 GLY CA . 27099 1 264 . 1 1 71 71 GLY N N 15 106.761 0.112 . 1 . . . . 69 GLY N . 27099 1 265 . 1 1 72 72 LYS H H 1 9.094 0.010 . 1 . . . . 70 LYS H . 27099 1 266 . 1 1 72 72 LYS C C 13 175.925 0.017 . 1 . . . . 70 LYS C . 27099 1 267 . 1 1 72 72 LYS CA C 13 55.484 0.101 . 1 . . . . 70 LYS CA . 27099 1 268 . 1 1 72 72 LYS CB C 13 34.679 0.000 . 1 . . . . 70 LYS CB . 27099 1 269 . 1 1 72 72 LYS CG C 13 24.439 0.000 . 1 . . . . 70 LYS CG . 27099 1 270 . 1 1 72 72 LYS CD C 13 29.056 0.000 . 1 . . . . 70 LYS CD . 27099 1 271 . 1 1 72 72 LYS N N 15 126.726 0.133 . 1 . . . . 70 LYS N . 27099 1 272 . 1 1 73 73 ARG H H 1 8.864 0.009 . 1 . . . . 71 ARG H . 27099 1 273 . 1 1 73 73 ARG C C 13 178.291 0.018 . 1 . . . . 71 ARG C . 27099 1 274 . 1 1 73 73 ARG CA C 13 57.994 0.125 . 1 . . . . 71 ARG CA . 27099 1 275 . 1 1 73 73 ARG CB C 13 28.386 0.000 . 1 . . . . 71 ARG CB . 27099 1 276 . 1 1 73 73 ARG N N 15 128.188 0.145 . 1 . . . . 71 ARG N . 27099 1 277 . 1 1 74 74 GLY H H 1 9.111 0.020 . 1 . . . . 72 GLY H . 27099 1 278 . 1 1 74 74 GLY C C 13 174.341 0.013 . 1 . . . . 72 GLY C . 27099 1 279 . 1 1 74 74 GLY CA C 13 45.638 0.082 . 1 . . . . 72 GLY CA . 27099 1 280 . 1 1 74 74 GLY N N 15 111.672 0.091 . 1 . . . . 72 GLY N . 27099 1 281 . 1 1 75 75 ASP H H 1 7.392 0.014 . 1 . . . . 73 ASP H . 27099 1 282 . 1 1 75 75 ASP C C 13 176.770 0.036 . 1 . . . . 73 ASP C . 27099 1 283 . 1 1 75 75 ASP CA C 13 55.325 0.107 . 1 . . . . 73 ASP CA . 27099 1 284 . 1 1 75 75 ASP CB C 13 43.905 0.000 . 1 . . . . 73 ASP CB . 27099 1 285 . 1 1 75 75 ASP N N 15 120.113 0.130 . 1 . . . . 73 ASP N . 27099 1 286 . 1 1 76 76 ALA H H 1 9.263 0.012 . 1 . . . . 74 ALA H . 27099 1 287 . 1 1 76 76 ALA C C 13 180.924 0.021 . 1 . . . . 74 ALA C . 27099 1 288 . 1 1 76 76 ALA CA C 13 55.365 0.114 . 1 . . . . 74 ALA CA . 27099 1 289 . 1 1 76 76 ALA CB C 13 18.054 0.000 . 1 . . . . 74 ALA CB . 27099 1 290 . 1 1 76 76 ALA N N 15 130.870 0.134 . 1 . . . . 74 ALA N . 27099 1 291 . 1 1 77 77 GLY H H 1 8.855 0.017 . 1 . . . . 75 GLY H . 27099 1 292 . 1 1 77 77 GLY C C 13 174.200 0.028 . 1 . . . . 75 GLY C . 27099 1 293 . 1 1 77 77 GLY CA C 13 47.394 0.081 . 1 . . . . 75 GLY CA . 27099 1 294 . 1 1 77 77 GLY N N 15 107.611 0.102 . 1 . . . . 75 GLY N . 27099 1 295 . 1 1 78 78 GLN H H 1 8.634 0.033 . 1 . . . . 76 GLN H . 27099 1 296 . 1 1 78 78 GLN C C 13 179.920 0.040 . 1 . . . . 76 GLN C . 27099 1 297 . 1 1 78 78 GLN CA C 13 59.853 0.137 . 1 . . . . 76 GLN CA . 27099 1 298 . 1 1 78 78 GLN CB C 13 25.831 0.000 . 1 . . . . 76 GLN CB . 27099 1 299 . 1 1 78 78 GLN N N 15 121.145 0.145 . 1 . . . . 76 GLN N . 27099 1 300 . 1 1 79 79 LYS H H 1 8.397 0.021 . 1 . . . . 77 LYS H . 27099 1 301 . 1 1 79 79 LYS C C 13 178.228 0.035 . 1 . . . . 77 LYS C . 27099 1 302 . 1 1 79 79 LYS CA C 13 59.184 0.090 . 1 . . . . 77 LYS CA . 27099 1 303 . 1 1 79 79 LYS CB C 13 31.211 0.000 . 1 . . . . 77 LYS CB . 27099 1 304 . 1 1 79 79 LYS N N 15 120.649 0.126 . 1 . . . . 77 LYS N . 27099 1 305 . 1 1 80 80 ALA H H 1 8.021 0.012 . 1 . . . . 78 ALA H . 27099 1 306 . 1 1 80 80 ALA C C 13 181.310 0.019 . 1 . . . . 78 ALA C . 27099 1 307 . 1 1 80 80 ALA CA C 13 54.729 0.116 . 1 . . . . 78 ALA CA . 27099 1 308 . 1 1 80 80 ALA CB C 13 17.355 0.000 . 1 . . . . 78 ALA CB . 27099 1 309 . 1 1 80 80 ALA N N 15 122.343 0.127 . 1 . . . . 78 ALA N . 27099 1 310 . 1 1 81 81 ILE H H 1 7.352 0.012 . 1 . . . . 79 ILE H . 27099 1 311 . 1 1 81 81 ILE C C 13 176.639 0.033 . 1 . . . . 79 ILE C . 27099 1 312 . 1 1 81 81 ILE CA C 13 65.239 0.100 . 1 . . . . 79 ILE CA . 27099 1 313 . 1 1 81 81 ILE CB C 13 37.201 0.000 . 1 . . . . 79 ILE CB . 27099 1 314 . 1 1 81 81 ILE CG1 C 13 29.627 0.000 . 1 . . . . 79 ILE CG1 . 27099 1 315 . 1 1 81 81 ILE CG2 C 13 17.137 0.000 . 1 . . . . 79 ILE CG2 . 27099 1 316 . 1 1 81 81 ILE N N 15 120.204 0.123 . 1 . . . . 79 ILE N . 27099 1 317 . 1 1 82 82 GLU H H 1 7.776 0.010 . 1 . . . . 80 GLU H . 27099 1 318 . 1 1 82 82 GLU C C 13 178.552 0.072 . 1 . . . . 80 GLU C . 27099 1 319 . 1 1 82 82 GLU CA C 13 58.509 0.101 . 1 . . . . 80 GLU CA . 27099 1 320 . 1 1 82 82 GLU CB C 13 28.212 0.000 . 1 . . . . 80 GLU CB . 27099 1 321 . 1 1 82 82 GLU N N 15 121.081 0.175 . 1 . . . . 80 GLU N . 27099 1 322 . 1 1 83 83 ASP H H 1 8.554 0.011 . 1 . . . . 81 ASP H . 27099 1 323 . 1 1 83 83 ASP C C 13 178.500 0.021 . 1 . . . . 81 ASP C . 27099 1 324 . 1 1 83 83 ASP CA C 13 57.059 0.118 . 1 . . . . 81 ASP CA . 27099 1 325 . 1 1 83 83 ASP CB C 13 41.665 0.000 . 1 . . . . 81 ASP CB . 27099 1 326 . 1 1 83 83 ASP N N 15 117.868 0.139 . 1 . . . . 81 ASP N . 27099 1 327 . 1 1 84 84 ALA H H 1 7.899 0.012 . 1 . . . . 82 ALA H . 27099 1 328 . 1 1 84 84 ALA C C 13 180.115 0.054 . 1 . . . . 82 ALA C . 27099 1 329 . 1 1 84 84 ALA CA C 13 55.495 0.122 . 1 . . . . 82 ALA CA . 27099 1 330 . 1 1 84 84 ALA CB C 13 17.126 0.000 . 1 . . . . 82 ALA CB . 27099 1 331 . 1 1 84 84 ALA N N 15 121.939 0.276 . 1 . . . . 82 ALA N . 27099 1 332 . 1 1 85 85 TYR H H 1 9.024 0.016 . 1 . . . . 83 TYR H . 27099 1 333 . 1 1 85 85 TYR C C 13 179.428 0.040 . 1 . . . . 83 TYR C . 27099 1 334 . 1 1 85 85 TYR CA C 13 61.762 0.125 . 1 . . . . 83 TYR CA . 27099 1 335 . 1 1 85 85 TYR CB C 13 36.934 0.000 . 1 . . . . 83 TYR CB . 27099 1 336 . 1 1 85 85 TYR N N 15 118.269 0.135 . 1 . . . . 83 TYR N . 27099 1 337 . 1 1 86 86 GLN H H 1 9.369 0.012 . 1 . . . . 84 GLN H . 27099 1 338 . 1 1 86 86 GLN C C 13 177.644 0.036 . 1 . . . . 84 GLN C . 27099 1 339 . 1 1 86 86 GLN CA C 13 58.662 0.126 . 1 . . . . 84 GLN CA . 27099 1 340 . 1 1 86 86 GLN CB C 13 28.212 0.000 . 1 . . . . 84 GLN CB . 27099 1 341 . 1 1 86 86 GLN N N 15 119.556 0.125 . 1 . . . . 84 GLN N . 27099 1 342 . 1 1 87 87 ASN H H 1 7.711 0.034 . 1 . . . . 85 ASN H . 27099 1 343 . 1 1 87 87 ASN C C 13 175.090 0.043 . 1 . . . . 85 ASN C . 27099 1 344 . 1 1 87 87 ASN CA C 13 53.310 0.121 . 1 . . . . 85 ASN CA . 27099 1 345 . 1 1 87 87 ASN CB C 13 39.405 0.000 . 1 . . . . 85 ASN CB . 27099 1 346 . 1 1 87 87 ASN N N 15 111.607 0.169 . 1 . . . . 85 ASN N . 27099 1 347 . 1 1 88 88 GLY H H 1 7.755 0.020 . 1 . . . . 86 GLY H . 27099 1 348 . 1 1 88 88 GLY C C 13 173.790 0.031 . 1 . . . . 86 GLY C . 27099 1 349 . 1 1 88 88 GLY CA C 13 46.759 0.146 . 1 . . . . 86 GLY CA . 27099 1 350 . 1 1 88 88 GLY N N 15 112.533 0.132 . 1 . . . . 86 GLY N . 27099 1 351 . 1 1 89 89 LYS H H 1 8.366 0.044 . 1 . . . . 87 LYS H . 27099 1 352 . 1 1 89 89 LYS C C 13 176.656 0.012 . 1 . . . . 87 LYS C . 27099 1 353 . 1 1 89 89 LYS CA C 13 54.214 0.175 . 1 . . . . 87 LYS CA . 27099 1 354 . 1 1 89 89 LYS CB C 13 34.849 0.000 . 1 . . . . 87 LYS CB . 27099 1 355 . 1 1 89 89 LYS N N 15 117.702 0.029 . 1 . . . . 87 LYS N . 27099 1 356 . 1 1 90 90 GLN H H 1 8.355 0.008 . 1 . . . . 88 GLN H . 27099 1 357 . 1 1 90 90 GLN C C 13 174.402 0.039 . 1 . . . . 88 GLN C . 27099 1 358 . 1 1 90 90 GLN CA C 13 55.293 0.109 . 1 . . . . 88 GLN CA . 27099 1 359 . 1 1 90 90 GLN CB C 13 29.628 0.000 . 1 . . . . 88 GLN CB . 27099 1 360 . 1 1 90 90 GLN N N 15 119.822 0.148 . 1 . . . . 88 GLN N . 27099 1 361 . 1 1 91 91 ILE H H 1 9.219 0.014 . 1 . . . . 89 ILE H . 27099 1 362 . 1 1 91 91 ILE C C 13 172.499 0.013 . 1 . . . . 89 ILE C . 27099 1 363 . 1 1 91 91 ILE CA C 13 60.408 0.149 . 1 . . . . 89 ILE CA . 27099 1 364 . 1 1 91 91 ILE CB C 13 42.480 0.000 . 1 . . . . 89 ILE CB . 27099 1 365 . 1 1 91 91 ILE N N 15 117.824 0.232 . 1 . . . . 89 ILE N . 27099 1 366 . 1 1 92 92 LYS H H 1 7.962 0.014 . 1 . . . . 90 LYS H . 27099 1 367 . 1 1 92 92 LYS C C 13 175.434 0.036 . 1 . . . . 90 LYS C . 27099 1 368 . 1 1 92 92 LYS CA C 13 55.551 0.131 . 1 . . . . 90 LYS CA . 27099 1 369 . 1 1 92 92 LYS CB C 13 32.308 0.000 . 1 . . . . 90 LYS CB . 27099 1 370 . 1 1 92 92 LYS N N 15 123.786 0.145 . 1 . . . . 90 LYS N . 27099 1 371 . 1 1 93 93 PHE H H 1 8.241 0.013 . 1 . . . . 91 PHE H . 27099 1 372 . 1 1 93 93 PHE C C 13 170.702 0.038 . 1 . . . . 91 PHE C . 27099 1 373 . 1 1 93 93 PHE CA C 13 54.831 0.111 . 1 . . . . 91 PHE CA . 27099 1 374 . 1 1 93 93 PHE CB C 13 42.867 0.000 . 1 . . . . 91 PHE CB . 27099 1 375 . 1 1 93 93 PHE N N 15 120.440 0.160 . 1 . . . . 91 PHE N . 27099 1 376 . 1 1 94 94 TRP H H 1 8.679 0.010 . 1 . . . . 92 TRP H . 27099 1 377 . 1 1 94 94 TRP C C 13 174.680 0.028 . 1 . . . . 92 TRP C . 27099 1 378 . 1 1 94 94 TRP CA C 13 55.755 0.112 . 1 . . . . 92 TRP CA . 27099 1 379 . 1 1 94 94 TRP CB C 13 34.185 0.000 . 1 . . . . 92 TRP CB . 27099 1 380 . 1 1 94 94 TRP N N 15 118.153 0.106 . 1 . . . . 92 TRP N . 27099 1 381 . 1 1 95 95 ARG H H 1 8.264 0.025 . 1 . . . . 93 ARG H . 27099 1 382 . 1 1 95 95 ARG C C 13 175.597 0.028 . 1 . . . . 93 ARG C . 27099 1 383 . 1 1 95 95 ARG CA C 13 54.819 0.113 . 1 . . . . 93 ARG CA . 27099 1 384 . 1 1 95 95 ARG CB C 13 30.584 0.000 . 1 . . . . 93 ARG CB . 27099 1 385 . 1 1 95 95 ARG N N 15 123.991 0.222 . 1 . . . . 93 ARG N . 27099 1 386 . 1 1 96 96 VAL H H 1 8.641 0.010 . 1 . . . . 94 VAL H . 27099 1 387 . 1 1 96 96 VAL C C 13 173.375 0.026 . 1 . . . . 94 VAL C . 27099 1 388 . 1 1 96 96 VAL CA C 13 60.599 0.115 . 1 . . . . 94 VAL CA . 27099 1 389 . 1 1 96 96 VAL CB C 13 34.237 0.000 . 1 . . . . 94 VAL CB . 27099 1 390 . 1 1 96 96 VAL N N 15 125.559 0.119 . 1 . . . . 94 VAL N . 27099 1 391 . 1 1 97 97 ASP H H 1 8.491 0.010 . 1 . . . . 95 ASP H . 27099 1 392 . 1 1 97 97 ASP C C 13 176.964 0.037 . 1 . . . . 95 ASP C . 27099 1 393 . 1 1 97 97 ASP CA C 13 53.013 0.103 . 1 . . . . 95 ASP CA . 27099 1 394 . 1 1 97 97 ASP CB C 13 39.962 0.000 . 1 . . . . 95 ASP CB . 27099 1 395 . 1 1 97 97 ASP N N 15 126.878 0.166 . 1 . . . . 95 ASP N . 27099 1 396 . 1 1 98 98 THR H H 1 8.378 0.009 . 1 . . . . 96 THR H . 27099 1 397 . 1 1 98 98 THR C C 13 173.207 0.023 . 1 . . . . 96 THR C . 27099 1 398 . 1 1 98 98 THR CA C 13 63.233 0.137 . 1 . . . . 96 THR CA . 27099 1 399 . 1 1 98 98 THR CG2 C 13 21.494 0.000 . 1 . . . . 96 THR CG2 . 27099 1 400 . 1 1 98 98 THR N N 15 114.290 0.105 . 1 . . . . 96 THR N . 27099 1 401 . 1 1 99 99 VAL H H 1 8.045 0.013 . 1 . . . . 97 VAL H . 27099 1 402 . 1 1 99 99 VAL C C 13 175.512 0.027 . 1 . . . . 97 VAL C . 27099 1 403 . 1 1 99 99 VAL CA C 13 62.509 0.139 . 1 . . . . 97 VAL CA . 27099 1 404 . 1 1 99 99 VAL CB C 13 29.932 0.000 . 1 . . . . 97 VAL CB . 27099 1 405 . 1 1 99 99 VAL CG2 C 13 21.467 0.000 . 1 . . . . 97 VAL CG2 . 27099 1 406 . 1 1 99 99 VAL N N 15 125.240 0.150 . 1 . . . . 97 VAL N . 27099 1 407 . 1 1 100 100 LYS H H 1 8.389 0.018 . 1 . . . . 98 LYS H . 27099 1 408 . 1 1 100 100 LYS C C 13 176.857 0.030 . 1 . . . . 98 LYS C . 27099 1 409 . 1 1 100 100 LYS CA C 13 57.626 0.114 . 1 . . . . 98 LYS CA . 27099 1 410 . 1 1 100 100 LYS CB C 13 32.544 0.000 . 1 . . . . 98 LYS CB . 27099 1 411 . 1 1 100 100 LYS N N 15 128.835 0.092 . 1 . . . . 98 LYS N . 27099 1 412 . 1 1 101 101 ASN H H 1 9.138 0.007 . 1 . . . . 99 ASN H . 27099 1 413 . 1 1 101 101 ASN C C 13 178.393 0.061 . 1 . . . . 99 ASN C . 27099 1 414 . 1 1 101 101 ASN CA C 13 50.971 0.132 . 1 . . . . 99 ASN CA . 27099 1 415 . 1 1 101 101 ASN CB C 13 38.429 0.000 . 1 . . . . 99 ASN CB . 27099 1 416 . 1 1 101 101 ASN N N 15 121.912 0.099 . 1 . . . . 99 ASN N . 27099 1 417 . 1 1 102 102 GLU H H 1 8.854 0.015 . 1 . . . . 100 GLU H . 27099 1 418 . 1 1 102 102 GLU C C 13 176.784 0.048 . 1 . . . . 100 GLU C . 27099 1 419 . 1 1 102 102 GLU CA C 13 58.342 0.109 . 1 . . . . 100 GLU CA . 27099 1 420 . 1 1 102 102 GLU CB C 13 28.403 0.000 . 1 . . . . 100 GLU CB . 27099 1 421 . 1 1 102 102 GLU N N 15 117.563 0.124 . 1 . . . . 100 GLU N . 27099 1 422 . 1 1 103 103 ASN H H 1 8.238 0.015 . 1 . . . . 101 ASN H . 27099 1 423 . 1 1 103 103 ASN C C 13 174.460 0.030 . 1 . . . . 101 ASN C . 27099 1 424 . 1 1 103 103 ASN CA C 13 52.001 0.102 . 1 . . . . 101 ASN CA . 27099 1 425 . 1 1 103 103 ASN CB C 13 38.277 0.000 . 1 . . . . 101 ASN CB . 27099 1 426 . 1 1 103 103 ASN N N 15 118.096 0.127 . 1 . . . . 101 ASN N . 27099 1 427 . 1 1 104 104 ASP H H 1 8.392 0.023 . 1 . . . . 102 ASP H . 27099 1 428 . 1 1 104 104 ASP C C 13 173.907 0.023 . 1 . . . . 102 ASP C . 27099 1 429 . 1 1 104 104 ASP CA C 13 55.733 0.099 . 1 . . . . 102 ASP CA . 27099 1 430 . 1 1 104 104 ASP CB C 13 39.020 0.000 . 1 . . . . 102 ASP CB . 27099 1 431 . 1 1 104 104 ASP N N 15 116.740 0.162 . 1 . . . . 102 ASP N . 27099 1 432 . 1 1 105 105 LYS H H 1 7.448 0.018 . 1 . . . . 103 LYS H . 27099 1 433 . 1 1 105 105 LYS C C 13 172.926 0.042 . 1 . . . . 103 LYS C . 27099 1 434 . 1 1 105 105 LYS CA C 13 54.382 0.117 . 1 . . . . 103 LYS CA . 27099 1 435 . 1 1 105 105 LYS CB C 13 35.706 0.000 . 1 . . . . 103 LYS CB . 27099 1 436 . 1 1 105 105 LYS N N 15 118.383 0.174 . 1 . . . . 103 LYS N . 27099 1 437 . 1 1 106 106 TYR H H 1 8.185 0.013 . 1 . . . . 104 TYR H . 27099 1 438 . 1 1 106 106 TYR C C 13 176.705 0.031 . 1 . . . . 104 TYR C . 27099 1 439 . 1 1 106 106 TYR CA C 13 55.739 0.109 . 1 . . . . 104 TYR CA . 27099 1 440 . 1 1 106 106 TYR CB C 13 38.257 0.000 . 1 . . . . 104 TYR CB . 27099 1 441 . 1 1 106 106 TYR N N 15 116.043 0.129 . 1 . . . . 104 TYR N . 27099 1 442 . 1 1 107 107 ASP H H 1 9.966 0.014 . 1 . . . . 105 ASP H . 27099 1 443 . 1 1 107 107 ASP C C 13 176.047 0.044 . 1 . . . . 105 ASP C . 27099 1 444 . 1 1 107 107 ASP CA C 13 56.464 0.124 . 1 . . . . 105 ASP CA . 27099 1 445 . 1 1 107 107 ASP CB C 13 41.146 0.000 . 1 . . . . 105 ASP CB . 27099 1 446 . 1 1 107 107 ASP N N 15 126.791 0.134 . 1 . . . . 105 ASP N . 27099 1 447 . 1 1 108 108 ALA H H 1 8.851 0.011 . 1 . . . . 106 ALA H . 27099 1 448 . 1 1 108 108 ALA C C 13 176.090 0.018 . 1 . . . . 106 ALA C . 27099 1 449 . 1 1 108 108 ALA CA C 13 50.677 0.113 . 1 . . . . 106 ALA CA . 27099 1 450 . 1 1 108 108 ALA CB C 13 24.109 0.000 . 1 . . . . 106 ALA CB . 27099 1 451 . 1 1 108 108 ALA N N 15 122.459 0.133 . 1 . . . . 106 ALA N . 27099 1 452 . 1 1 109 109 GLN H H 1 8.500 0.013 . 1 . . . . 107 GLN H . 27099 1 453 . 1 1 109 109 GLN C C 13 174.908 0.018 . 1 . . . . 107 GLN C . 27099 1 454 . 1 1 109 109 GLN CA C 13 55.493 0.101 . 1 . . . . 107 GLN CA . 27099 1 455 . 1 1 109 109 GLN CB C 13 30.967 0.000 . 1 . . . . 107 GLN CB . 27099 1 456 . 1 1 109 109 GLN N N 15 118.746 0.176 . 1 . . . . 107 GLN N . 27099 1 457 . 1 1 110 110 PHE H H 1 9.465 0.009 . 1 . . . . 108 PHE H . 27099 1 458 . 1 1 110 110 PHE C C 13 173.778 0.027 . 1 . . . . 108 PHE C . 27099 1 459 . 1 1 110 110 PHE CA C 13 54.833 0.105 . 1 . . . . 108 PHE CA . 27099 1 460 . 1 1 110 110 PHE CB C 13 45.518 0.000 . 1 . . . . 108 PHE CB . 27099 1 461 . 1 1 110 110 PHE N N 15 121.049 0.155 . 1 . . . . 108 PHE N . 27099 1 462 . 1 1 111 111 GLY H H 1 7.222 0.011 . 1 . . . . 109 GLY H . 27099 1 463 . 1 1 111 111 GLY C C 13 170.729 0.014 . 1 . . . . 109 GLY C . 27099 1 464 . 1 1 111 111 GLY CA C 13 44.883 0.093 . 1 . . . . 109 GLY CA . 27099 1 465 . 1 1 111 111 GLY N N 15 112.097 0.114 . 1 . . . . 109 GLY N . 27099 1 466 . 1 1 112 112 PHE H H 1 7.323 0.015 . 1 . . . . 110 PHE H . 27099 1 467 . 1 1 112 112 PHE C C 13 175.773 0.016 . 1 . . . . 110 PHE C . 27099 1 468 . 1 1 112 112 PHE CA C 13 56.928 0.146 . 1 . . . . 110 PHE CA . 27099 1 469 . 1 1 112 112 PHE CB C 13 41.054 0.000 . 1 . . . . 110 PHE CB . 27099 1 470 . 1 1 112 112 PHE N N 15 115.125 0.183 . 1 . . . . 110 PHE N . 27099 1 471 . 1 1 113 113 ALA H H 1 9.343 0.009 . 1 . . . . 111 ALA H . 27099 1 472 . 1 1 113 113 ALA C C 13 175.861 0.040 . 1 . . . . 111 ALA C . 27099 1 473 . 1 1 113 113 ALA CA C 13 50.533 0.114 . 1 . . . . 111 ALA CA . 27099 1 474 . 1 1 113 113 ALA CB C 13 23.776 0.000 . 1 . . . . 111 ALA CB . 27099 1 475 . 1 1 113 113 ALA N N 15 122.614 0.154 . 1 . . . . 111 ALA N . 27099 1 476 . 1 1 114 114 TYR H H 1 8.343 0.012 . 1 . . . . 112 TYR H . 27099 1 477 . 1 1 114 114 TYR C C 13 175.815 0.017 . 1 . . . . 112 TYR C . 27099 1 478 . 1 1 114 114 TYR CA C 13 57.994 0.101 . 1 . . . . 112 TYR CA . 27099 1 479 . 1 1 114 114 TYR CB C 13 41.610 0.000 . 1 . . . . 112 TYR CB . 27099 1 480 . 1 1 114 114 TYR N N 15 113.265 0.168 . 1 . . . . 112 TYR N . 27099 1 481 . 1 1 115 115 ILE H H 1 10.249 0.028 . 1 . . . . 113 ILE H . 27099 1 482 . 1 1 115 115 ILE C C 13 174.883 0.029 . 1 . . . . 113 ILE C . 27099 1 483 . 1 1 115 115 ILE CA C 13 60.593 0.170 . 1 . . . . 113 ILE CA . 27099 1 484 . 1 1 115 115 ILE N N 15 123.113 0.186 . 1 . . . . 113 ILE N . 27099 1 485 . 1 1 116 116 GLU H H 1 8.786 0.019 . 1 . . . . 114 GLU H . 27099 1 486 . 1 1 116 116 GLU C C 13 174.626 0.046 . 1 . . . . 114 GLU C . 27099 1 487 . 1 1 116 116 GLU CA C 13 56.769 0.156 . 1 . . . . 114 GLU CA . 27099 1 488 . 1 1 116 116 GLU CB C 13 30.756 0.000 . 1 . . . . 114 GLU CB . 27099 1 489 . 1 1 116 116 GLU N N 15 127.839 0.203 . 1 . . . . 114 GLU N . 27099 1 490 . 1 1 117 117 SER H H 1 7.644 0.018 . 1 . . . . 115 SER H . 27099 1 491 . 1 1 117 117 SER C C 13 171.751 0.019 . 1 . . . . 115 SER C . 27099 1 492 . 1 1 117 117 SER CA C 13 57.107 0.106 . 1 . . . . 115 SER CA . 27099 1 493 . 1 1 117 117 SER CB C 13 64.907 0.000 . 1 . . . . 115 SER CB . 27099 1 494 . 1 1 117 117 SER N N 15 110.202 0.181 . 1 . . . . 115 SER N . 27099 1 495 . 1 1 118 118 ARG H H 1 8.402 0.008 . 1 . . . . 116 ARG H . 27099 1 496 . 1 1 118 118 ARG C C 13 175.260 0.044 . 1 . . . . 116 ARG C . 27099 1 497 . 1 1 118 118 ARG CA C 13 55.495 0.105 . 1 . . . . 116 ARG CA . 27099 1 498 . 1 1 118 118 ARG CB C 13 27.165 0.000 . 1 . . . . 116 ARG CB . 27099 1 499 . 1 1 118 118 ARG N N 15 121.608 0.160 . 1 . . . . 116 ARG N . 27099 1 500 . 1 1 119 119 GLU H H 1 9.247 0.013 . 1 . . . . 117 GLU H . 27099 1 501 . 1 1 119 119 GLU C C 13 174.282 0.045 . 1 . . . . 117 GLU C . 27099 1 502 . 1 1 119 119 GLU CA C 13 54.189 0.100 . 1 . . . . 117 GLU CA . 27099 1 503 . 1 1 119 119 GLU CB C 13 33.395 0.000 . 1 . . . . 117 GLU CB . 27099 1 504 . 1 1 119 119 GLU N N 15 132.797 0.124 . 1 . . . . 117 GLU N . 27099 1 505 . 1 1 120 120 TYR H H 1 9.402 0.009 . 1 . . . . 118 TYR H . 27099 1 506 . 1 1 120 120 TYR C C 13 175.318 0.096 . 1 . . . . 118 TYR C . 27099 1 507 . 1 1 120 120 TYR CA C 13 57.242 0.110 . 1 . . . . 118 TYR CA . 27099 1 508 . 1 1 120 120 TYR CB C 13 39.728 0.000 . 1 . . . . 118 TYR CB . 27099 1 509 . 1 1 120 120 TYR N N 15 123.817 0.136 . 1 . . . . 118 TYR N . 27099 1 510 . 1 1 121 121 SER H H 1 9.082 0.013 . 1 . . . . 119 SER H . 27099 1 511 . 1 1 121 121 SER C C 13 173.783 0.026 . 1 . . . . 119 SER C . 27099 1 512 . 1 1 121 121 SER CA C 13 57.072 0.106 . 1 . . . . 119 SER CA . 27099 1 513 . 1 1 121 121 SER CB C 13 63.215 0.000 . 1 . . . . 119 SER CB . 27099 1 514 . 1 1 121 121 SER N N 15 116.537 0.142 . 1 . . . . 119 SER N . 27099 1 515 . 1 1 122 122 ASP H H 1 9.273 0.013 . 1 . . . . 120 ASP H . 27099 1 516 . 1 1 122 122 ASP C C 13 177.105 0.024 . 1 . . . . 120 ASP C . 27099 1 517 . 1 1 122 122 ASP CA C 13 52.750 0.120 . 1 . . . . 120 ASP CA . 27099 1 518 . 1 1 122 122 ASP CB C 13 41.696 0.000 . 1 . . . . 120 ASP CB . 27099 1 519 . 1 1 122 122 ASP N N 15 129.269 0.110 . 1 . . . . 120 ASP N . 27099 1 520 . 1 1 123 123 GLY H H 1 8.371 0.011 . 1 . . . . 121 GLY H . 27099 1 521 . 1 1 123 123 GLY C C 13 174.864 0.041 . 1 . . . . 121 GLY C . 27099 1 522 . 1 1 123 123 GLY CA C 13 46.337 0.078 . 1 . . . . 121 GLY CA . 27099 1 523 . 1 1 123 123 GLY N N 15 112.612 0.132 . 1 . . . . 121 GLY N . 27099 1 524 . 1 1 124 124 VAL H H 1 7.928 0.022 . 1 . . . . 122 VAL H . 27099 1 525 . 1 1 124 124 VAL C C 13 175.874 0.030 . 1 . . . . 122 VAL C . 27099 1 526 . 1 1 124 124 VAL CA C 13 64.032 0.151 . 1 . . . . 122 VAL CA . 27099 1 527 . 1 1 124 124 VAL CB C 13 31.203 0.000 . 1 . . . . 122 VAL CB . 27099 1 528 . 1 1 124 124 VAL CG1 C 13 22.929 0.000 . 1 . . . . 122 VAL CG1 . 27099 1 529 . 1 1 124 124 VAL N N 15 119.518 0.157 . 1 . . . . 122 VAL N . 27099 1 530 . 1 1 125 125 GLU H H 1 8.882 0.013 . 1 . . . . 123 GLU H . 27099 1 531 . 1 1 125 125 GLU C C 13 176.732 0.015 . 1 . . . . 123 GLU C . 27099 1 532 . 1 1 125 125 GLU CA C 13 56.866 0.080 . 1 . . . . 123 GLU CA . 27099 1 533 . 1 1 125 125 GLU CB C 13 29.213 0.000 . 1 . . . . 123 GLU CB . 27099 1 534 . 1 1 125 125 GLU N N 15 121.900 0.110 . 1 . . . . 123 GLU N . 27099 1 535 . 1 1 126 126 GLY H H 1 7.879 0.015 . 1 . . . . 124 GLY H . 27099 1 536 . 1 1 126 126 GLY C C 13 174.003 0.061 . 1 . . . . 124 GLY C . 27099 1 537 . 1 1 126 126 GLY CA C 13 44.693 0.047 . 1 . . . . 124 GLY CA . 27099 1 538 . 1 1 126 126 GLY N N 15 107.693 0.112 . 1 . . . . 124 GLY N . 27099 1 539 . 1 1 127 127 ALA H H 1 8.829 0.020 . 1 . . . . 125 ALA H . 27099 1 540 . 1 1 127 127 ALA C C 13 178.684 0.033 . 1 . . . . 125 ALA C . 27099 1 541 . 1 1 127 127 ALA CA C 13 51.626 0.124 . 1 . . . . 125 ALA CA . 27099 1 542 . 1 1 127 127 ALA CB C 13 18.798 0.000 . 1 . . . . 125 ALA CB . 27099 1 543 . 1 1 127 127 ALA N N 15 126.276 0.109 . 1 . . . . 125 ALA N . 27099 1 544 . 1 1 128 128 VAL H H 1 9.241 0.010 . 1 . . . . 126 VAL H . 27099 1 545 . 1 1 128 128 VAL C C 13 176.694 0.027 . 1 . . . . 126 VAL C . 27099 1 546 . 1 1 128 128 VAL CA C 13 63.581 0.121 . 1 . . . . 126 VAL CA . 27099 1 547 . 1 1 128 128 VAL CB C 13 33.033 0.000 . 1 . . . . 126 VAL CB . 27099 1 548 . 1 1 128 128 VAL N N 15 124.371 0.115 . 1 . . . . 126 VAL N . 27099 1 549 . 1 1 129 129 GLU H H 1 8.694 0.019 . 1 . . . . 127 GLU H . 27099 1 550 . 1 1 129 129 GLU C C 13 175.493 0.018 . 1 . . . . 127 GLU C . 27099 1 551 . 1 1 129 129 GLU CA C 13 54.638 0.104 . 1 . . . . 127 GLU CA . 27099 1 552 . 1 1 129 129 GLU CB C 13 31.811 0.000 . 1 . . . . 127 GLU CB . 27099 1 553 . 1 1 129 129 GLU N N 15 126.939 0.217 . 1 . . . . 127 GLU N . 27099 1 554 . 1 1 130 130 ILE H H 1 9.685 0.014 . 1 . . . . 128 ILE H . 27099 1 555 . 1 1 130 130 ILE C C 13 174.177 0.022 . 1 . . . . 128 ILE C . 27099 1 556 . 1 1 130 130 ILE CA C 13 59.926 0.104 . 1 . . . . 128 ILE CA . 27099 1 557 . 1 1 130 130 ILE CB C 13 37.262 0.000 . 1 . . . . 128 ILE CB . 27099 1 558 . 1 1 130 130 ILE CG1 C 13 27.597 0.000 . 1 . . . . 128 ILE CG1 . 27099 1 559 . 1 1 130 130 ILE CG2 C 13 16.111 0.000 . 1 . . . . 128 ILE CG2 . 27099 1 560 . 1 1 130 130 ILE N N 15 129.177 0.115 . 1 . . . . 128 ILE N . 27099 1 561 . 1 1 131 131 SER H H 1 8.449 0.010 . 1 . . . . 129 SER H . 27099 1 562 . 1 1 131 131 SER C C 13 174.815 0.029 . 1 . . . . 129 SER C . 27099 1 563 . 1 1 131 131 SER CA C 13 55.881 0.113 . 1 . . . . 129 SER CA . 27099 1 564 . 1 1 131 131 SER CB C 13 64.661 0.000 . 1 . . . . 129 SER CB . 27099 1 565 . 1 1 131 131 SER N N 15 118.216 0.140 . 1 . . . . 129 SER N . 27099 1 566 . 1 1 132 132 ILE H H 1 8.945 0.008 . 1 . . . . 130 ILE H . 27099 1 567 . 1 1 132 132 ILE C C 13 175.062 0.052 . 1 . . . . 130 ILE C . 27099 1 568 . 1 1 132 132 ILE CA C 13 57.906 0.115 . 1 . . . . 130 ILE CA . 27099 1 569 . 1 1 132 132 ILE CB C 13 40.703 0.000 . 1 . . . . 130 ILE CB . 27099 1 570 . 1 1 132 132 ILE N N 15 121.163 0.183 . 1 . . . . 130 ILE N . 27099 1 571 . 1 1 133 133 SER H H 1 7.929 0.037 . 1 . . . . 131 SER H . 27099 1 572 . 1 1 133 133 SER C C 13 173.798 0.027 . 1 . . . . 131 SER C . 27099 1 573 . 1 1 133 133 SER CA C 13 56.360 0.149 . 1 . . . . 131 SER CA . 27099 1 574 . 1 1 133 133 SER CB C 13 63.772 0.000 . 1 . . . . 131 SER CB . 27099 1 575 . 1 1 133 133 SER N N 15 116.074 0.171 . 1 . . . . 131 SER N . 27099 1 576 . 1 1 134 134 LEU H H 1 9.521 0.015 . 1 . . . . 132 LEU H . 27099 1 577 . 1 1 134 134 LEU C C 13 175.970 0.009 . 1 . . . . 132 LEU C . 27099 1 578 . 1 1 134 134 LEU CA C 13 53.431 0.093 . 1 . . . . 132 LEU CA . 27099 1 579 . 1 1 134 134 LEU CB C 13 43.886 0.000 . 1 . . . . 132 LEU CB . 27099 1 580 . 1 1 134 134 LEU N N 15 125.770 0.113 . 1 . . . . 132 LEU N . 27099 1 581 . 1 1 135 135 GLN H H 1 9.022 0.016 . 1 . . . . 133 GLN H . 27099 1 582 . 1 1 135 135 GLN C C 13 174.615 0.079 . 1 . . . . 133 GLN C . 27099 1 583 . 1 1 135 135 GLN CA C 13 54.231 0.087 . 1 . . . . 133 GLN CA . 27099 1 584 . 1 1 135 135 GLN CB C 13 29.234 0.000 . 1 . . . . 133 GLN CB . 27099 1 585 . 1 1 135 135 GLN N N 15 120.111 0.121 . 1 . . . . 133 GLN N . 27099 1 586 . 1 1 136 136 VAL H H 1 7.771 0.029 . 1 . . . . 134 VAL H . 27099 1 587 . 1 1 136 136 VAL C C 13 175.922 0.027 . 1 . . . . 134 VAL C . 27099 1 588 . 1 1 136 136 VAL CA C 13 62.965 0.133 . 1 . . . . 134 VAL CA . 27099 1 589 . 1 1 136 136 VAL CB C 13 31.223 0.000 . 1 . . . . 134 VAL CB . 27099 1 590 . 1 1 136 136 VAL N N 15 123.827 0.305 . 1 . . . . 134 VAL N . 27099 1 591 . 1 1 137 137 ILE H H 1 8.996 0.011 . 1 . . . . 135 ILE H . 27099 1 592 . 1 1 137 137 ILE C C 13 176.046 0.028 . 1 . . . . 135 ILE C . 27099 1 593 . 1 1 137 137 ILE CA C 13 61.445 0.168 . 1 . . . . 135 ILE CA . 27099 1 594 . 1 1 137 137 ILE CB C 13 37.941 0.000 . 1 . . . . 135 ILE CB . 27099 1 595 . 1 1 137 137 ILE N N 15 129.100 0.168 . 1 . . . . 135 ILE N . 27099 1 596 . 1 1 138 138 GLY H H 1 9.226 0.018 . 1 . . . . 136 GLY H . 27099 1 597 . 1 1 138 138 GLY C C 13 173.017 0.020 . 1 . . . . 136 GLY C . 27099 1 598 . 1 1 138 138 GLY CA C 13 46.427 0.117 . 1 . . . . 136 GLY CA . 27099 1 599 . 1 1 138 138 GLY N N 15 119.049 0.059 . 1 . . . . 136 GLY N . 27099 1 600 . 1 1 139 139 GLU H H 1 7.658 0.008 . 1 . . . . 137 GLU H . 27099 1 601 . 1 1 139 139 GLU C C 13 174.365 0.025 . 1 . . . . 137 GLU C . 27099 1 602 . 1 1 139 139 GLU CA C 13 54.560 0.122 . 1 . . . . 137 GLU CA . 27099 1 603 . 1 1 139 139 GLU CB C 13 31.462 0.000 . 1 . . . . 137 GLU CB . 27099 1 604 . 1 1 139 139 GLU N N 15 126.249 0.147 . 1 . . . . 137 GLU N . 27099 1 605 . 1 1 140 140 LEU H H 1 9.829 0.021 . 1 . . . . 138 LEU H . 27099 1 606 . 1 1 140 140 LEU C C 13 178.491 0.045 . 1 . . . . 138 LEU C . 27099 1 607 . 1 1 140 140 LEU CA C 13 54.914 0.107 . 1 . . . . 138 LEU CA . 27099 1 608 . 1 1 140 140 LEU CB C 13 42.331 0.000 . 1 . . . . 138 LEU CB . 27099 1 609 . 1 1 140 140 LEU N N 15 120.831 0.194 . 1 . . . . 138 LEU N . 27099 1 610 . 1 1 141 141 LYS H H 1 9.583 0.017 . 1 . . . . 139 LYS H . 27099 1 611 . 1 1 141 141 LYS C C 13 176.748 0.026 . 1 . . . . 139 LYS C . 27099 1 612 . 1 1 141 141 LYS CA C 13 52.221 0.138 . 1 . . . . 139 LYS CA . 27099 1 613 . 1 1 141 141 LYS CB C 13 33.916 0.000 . 1 . . . . 139 LYS CB . 27099 1 614 . 1 1 141 141 LYS N N 15 121.108 0.171 . 1 . . . . 139 LYS N . 27099 1 615 . 1 1 142 142 ASN H H 1 9.226 0.017 . 1 . . . . 140 ASN H . 27099 1 616 . 1 1 142 142 ASN C C 13 175.435 0.016 . 1 . . . . 140 ASN C . 27099 1 617 . 1 1 142 142 ASN CA C 13 52.820 0.122 . 1 . . . . 140 ASN CA . 27099 1 618 . 1 1 142 142 ASN CB C 13 40.251 0.000 . 1 . . . . 140 ASN CB . 27099 1 619 . 1 1 142 142 ASN N N 15 121.850 0.104 . 1 . . . . 140 ASN N . 27099 1 620 . 1 1 143 143 GLY H H 1 8.418 0.010 . 1 . . . . 141 GLY H . 27099 1 621 . 1 1 143 143 GLY C C 13 171.003 0.023 . 1 . . . . 141 GLY C . 27099 1 622 . 1 1 143 143 GLY CA C 13 44.564 0.093 . 1 . . . . 141 GLY CA . 27099 1 623 . 1 1 143 143 GLY N N 15 111.026 0.131 . 1 . . . . 141 GLY N . 27099 1 624 . 1 1 144 144 GLU H H 1 7.724 0.022 . 1 . . . . 142 GLU H . 27099 1 625 . 1 1 144 144 GLU C C 13 175.951 0.026 . 1 . . . . 142 GLU C . 27099 1 626 . 1 1 144 144 GLU CA C 13 53.504 0.113 . 1 . . . . 142 GLU CA . 27099 1 627 . 1 1 144 144 GLU CB C 13 33.259 0.000 . 1 . . . . 142 GLU CB . 27099 1 628 . 1 1 144 144 GLU N N 15 119.793 0.124 . 1 . . . . 142 GLU N . 27099 1 629 . 1 1 145 145 ILE H H 1 9.806 0.012 . 1 . . . . 143 ILE H . 27099 1 630 . 1 1 145 145 ILE C C 13 176.601 0.022 . 1 . . . . 143 ILE C . 27099 1 631 . 1 1 145 145 ILE CA C 13 60.241 0.107 . 1 . . . . 143 ILE CA . 27099 1 632 . 1 1 145 145 ILE CB C 13 38.665 0.000 . 1 . . . . 143 ILE CB . 27099 1 633 . 1 1 145 145 ILE CG1 C 13 27.967 0.000 . 1 . . . . 143 ILE CG1 . 27099 1 634 . 1 1 145 145 ILE CG2 C 13 16.965 0.000 . 1 . . . . 143 ILE CG2 . 27099 1 635 . 1 1 145 145 ILE N N 15 124.825 0.128 . 1 . . . . 143 ILE N . 27099 1 636 . 1 1 146 146 ASP H H 1 8.750 0.009 . 1 . . . . 144 ASP H . 27099 1 637 . 1 1 146 146 ASP C C 13 176.343 0.009 . 1 . . . . 144 ASP C . 27099 1 638 . 1 1 146 146 ASP CA C 13 57.969 0.110 . 1 . . . . 144 ASP CA . 27099 1 639 . 1 1 146 146 ASP CB C 13 40.899 0.000 . 1 . . . . 144 ASP CB . 27099 1 640 . 1 1 146 146 ASP N N 15 126.608 0.124 . 1 . . . . 144 ASP N . 27099 1 641 . 1 1 147 147 THR H H 1 7.730 0.009 . 1 . . . . 145 THR H . 27099 1 642 . 1 1 147 147 THR C C 13 170.931 0.013 . 1 . . . . 145 THR C . 27099 1 643 . 1 1 147 147 THR CA C 13 60.407 0.114 . 1 . . . . 145 THR CA . 27099 1 644 . 1 1 147 147 THR CB C 13 70.225 0.000 . 1 . . . . 145 THR CB . 27099 1 645 . 1 1 147 147 THR N N 15 111.133 0.119 . 1 . . . . 145 THR N . 27099 1 646 . 1 1 148 148 LEU H H 1 8.002 0.010 . 1 . . . . 146 LEU H . 27099 1 647 . 1 1 148 148 LEU C C 13 173.748 0.000 . 1 . . . . 146 LEU C . 27099 1 648 . 1 1 148 148 LEU CA C 13 51.060 0.105 . 1 . . . . 146 LEU CA . 27099 1 649 . 1 1 148 148 LEU CB C 13 45.346 0.000 . 1 . . . . 146 LEU CB . 27099 1 650 . 1 1 148 148 LEU N N 15 122.797 0.133 . 1 . . . . 146 LEU N . 27099 1 651 . 1 1 149 149 PRO C C 13 177.620 0.051 . 1 . . . . 147 PRO C . 27099 1 652 . 1 1 149 149 PRO CA C 13 62.038 0.000 . 1 . . . . 147 PRO CA . 27099 1 653 . 1 1 150 150 GLU H H 1 9.014 0.009 . 1 . . . . 148 GLU H . 27099 1 654 . 1 1 150 150 GLU C C 13 177.673 0.036 . 1 . . . . 148 GLU C . 27099 1 655 . 1 1 150 150 GLU CA C 13 59.358 0.109 . 1 . . . . 148 GLU CA . 27099 1 656 . 1 1 150 150 GLU CB C 13 28.941 0.000 . 1 . . . . 148 GLU CB . 27099 1 657 . 1 1 150 150 GLU N N 15 125.341 0.162 . 1 . . . . 148 GLU N . 27099 1 658 . 1 1 151 151 GLU H H 1 9.316 0.013 . 1 . . . . 149 GLU H . 27099 1 659 . 1 1 151 151 GLU C C 13 177.082 0.026 . 1 . . . . 149 GLU C . 27099 1 660 . 1 1 151 151 GLU CA C 13 58.407 0.132 . 1 . . . . 149 GLU CA . 27099 1 661 . 1 1 151 151 GLU CB C 13 27.836 0.000 . 1 . . . . 149 GLU CB . 27099 1 662 . 1 1 151 151 GLU N N 15 115.356 0.173 . 1 . . . . 149 GLU N . 27099 1 663 . 1 1 152 152 ILE H H 1 7.539 0.011 . 1 . . . . 150 ILE H . 27099 1 664 . 1 1 152 152 ILE C C 13 175.477 0.025 . 1 . . . . 150 ILE C . 27099 1 665 . 1 1 152 152 ILE CA C 13 62.831 0.109 . 1 . . . . 150 ILE CA . 27099 1 666 . 1 1 152 152 ILE CB C 13 37.609 0.000 . 1 . . . . 150 ILE CB . 27099 1 667 . 1 1 152 152 ILE N N 15 116.788 0.114 . 1 . . . . 150 ILE N . 27099 1 668 . 1 1 153 153 VAL H H 1 6.917 0.010 . 1 . . . . 151 VAL H . 27099 1 669 . 1 1 153 153 VAL C C 13 175.635 0.000 . 1 . . . . 151 VAL C . 27099 1 670 . 1 1 153 153 VAL CA C 13 63.136 0.048 . 1 . . . . 151 VAL CA . 27099 1 671 . 1 1 153 153 VAL CB C 13 31.522 0.000 . 1 . . . . 151 VAL CB . 27099 1 672 . 1 1 153 153 VAL N N 15 112.574 0.125 . 1 . . . . 151 VAL N . 27099 1 673 . 1 1 154 154 ASN H H 1 9.561 0.026 . 1 . . . . 152 ASN H . 27099 1 674 . 1 1 154 154 ASN C C 13 173.126 0.027 . 1 . . . . 152 ASN C . 27099 1 675 . 1 1 154 154 ASN CA C 13 58.126 0.119 . 1 . . . . 152 ASN CA . 27099 1 676 . 1 1 154 154 ASN N N 15 118.698 0.108 . 1 . . . . 152 ASN N . 27099 1 677 . 1 1 155 155 VAL H H 1 8.520 0.021 . 1 . . . . 153 VAL H . 27099 1 678 . 1 1 155 155 VAL C C 13 174.598 0.026 . 1 . . . . 153 VAL C . 27099 1 679 . 1 1 155 155 VAL CA C 13 61.615 0.154 . 1 . . . . 153 VAL CA . 27099 1 680 . 1 1 155 155 VAL CB C 13 35.770 0.000 . 1 . . . . 153 VAL CB . 27099 1 681 . 1 1 155 155 VAL N N 15 119.796 0.099 . 1 . . . . 153 VAL N . 27099 1 682 . 1 1 156 156 SER H H 1 9.055 0.013 . 1 . . . . 154 SER H . 27099 1 683 . 1 1 156 156 SER C C 13 172.418 0.000 . 1 . . . . 154 SER C . 27099 1 684 . 1 1 156 156 SER CA C 13 57.337 0.052 . 1 . . . . 154 SER CA . 27099 1 685 . 1 1 156 156 SER CB C 13 63.965 0.000 . 1 . . . . 154 SER CB . 27099 1 686 . 1 1 156 156 SER N N 15 122.158 0.099 . 1 . . . . 154 SER N . 27099 1 687 . 1 1 159 159 GLY C C 13 173.252 0.044 . 1 . . . . 157 GLY C . 27099 1 688 . 1 1 159 159 GLY CA C 13 45.670 0.000 . 1 . . . . 157 GLY CA . 27099 1 689 . 1 1 160 160 TYR H H 1 6.934 0.008 . 1 . . . . 158 TYR H . 27099 1 690 . 1 1 160 160 TYR C C 13 171.118 0.049 . 1 . . . . 158 TYR C . 27099 1 691 . 1 1 160 160 TYR CA C 13 54.863 0.157 . 1 . . . . 158 TYR CA . 27099 1 692 . 1 1 160 160 TYR CB C 13 40.074 0.000 . 1 . . . . 158 TYR CB . 27099 1 693 . 1 1 160 160 TYR N N 15 113.260 0.140 . 1 . . . . 158 TYR N . 27099 1 694 . 1 1 161 161 ASP H H 1 9.080 0.017 . 1 . . . . 159 ASP H . 27099 1 695 . 1 1 161 161 ASP C C 13 174.737 0.061 . 1 . . . . 159 ASP C . 27099 1 696 . 1 1 161 161 ASP CA C 13 51.895 0.084 . 1 . . . . 159 ASP CA . 27099 1 697 . 1 1 161 161 ASP CB C 13 44.427 0.000 . 1 . . . . 159 ASP CB . 27099 1 698 . 1 1 161 161 ASP N N 15 119.027 0.208 . 1 . . . . 159 ASP N . 27099 1 699 . 1 1 162 162 PHE H H 1 9.031 0.010 . 1 . . . . 160 PHE H . 27099 1 700 . 1 1 162 162 PHE C C 13 174.729 0.000 . 1 . . . . 160 PHE C . 27099 1 701 . 1 1 162 162 PHE CA C 13 62.196 0.098 . 1 . . . . 160 PHE CA . 27099 1 702 . 1 1 162 162 PHE CB C 13 38.747 0.000 . 1 . . . . 160 PHE CB . 27099 1 703 . 1 1 162 162 PHE N N 15 117.071 0.198 . 1 . . . . 160 PHE N . 27099 1 704 . 1 1 163 163 GLN H H 1 8.777 0.000 . 1 . . . . 161 GLN H . 27099 1 705 . 1 1 163 163 GLN C C 13 173.867 0.011 . 1 . . . . 161 GLN C . 27099 1 706 . 1 1 163 163 GLN CA C 13 52.276 0.000 . 1 . . . . 161 GLN CA . 27099 1 707 . 1 1 163 163 GLN N N 15 123.938 0.035 . 1 . . . . 161 GLN N . 27099 1 708 . 1 1 164 164 GLN H H 1 8.223 0.006 . 1 . . . . 162 GLN H . 27099 1 709 . 1 1 164 164 GLN C C 13 175.466 0.000 . 1 . . . . 162 GLN C . 27099 1 710 . 1 1 164 164 GLN CA C 13 52.864 0.134 . 1 . . . . 162 GLN CA . 27099 1 711 . 1 1 164 164 GLN CB C 13 27.026 0.000 . 1 . . . . 162 GLN CB . 27099 1 712 . 1 1 164 164 GLN N N 15 115.711 0.157 . 1 . . . . 162 GLN N . 27099 1 713 . 1 1 165 165 PRO C C 13 177.435 0.019 . 1 . . . . 163 PRO C . 27099 1 714 . 1 1 165 165 PRO CA C 13 63.506 0.000 . 1 . . . . 163 PRO CA . 27099 1 715 . 1 1 166 166 GLY H H 1 10.269 0.031 . 1 . . . . 164 GLY H . 27099 1 716 . 1 1 166 166 GLY C C 13 174.817 0.020 . 1 . . . . 164 GLY C . 27099 1 717 . 1 1 166 166 GLY CA C 13 45.502 0.087 . 1 . . . . 164 GLY CA . 27099 1 718 . 1 1 166 166 GLY N N 15 115.747 0.104 . 1 . . . . 164 GLY N . 27099 1 719 . 1 1 167 167 GLN H H 1 7.775 0.015 . 1 . . . . 165 GLN H . 27099 1 720 . 1 1 167 167 GLN C C 13 176.011 0.034 . 1 . . . . 165 GLN C . 27099 1 721 . 1 1 167 167 GLN CA C 13 58.828 0.049 . 1 . . . . 165 GLN CA . 27099 1 722 . 1 1 167 167 GLN CB C 13 30.224 0.000 . 1 . . . . 165 GLN CB . 27099 1 723 . 1 1 167 167 GLN N N 15 121.082 0.166 . 1 . . . . 165 GLN N . 27099 1 724 . 1 1 168 168 THR H H 1 7.640 0.003 . 1 . . . . 166 THR H . 27099 1 725 . 1 1 168 168 THR C C 13 172.364 0.005 . 1 . . . . 166 THR C . 27099 1 726 . 1 1 168 168 THR CA C 13 59.163 0.093 . 1 . . . . 166 THR CA . 27099 1 727 . 1 1 168 168 THR N N 15 102.537 0.061 . 1 . . . . 166 THR N . 27099 1 728 . 1 1 169 169 THR H H 1 8.836 0.011 . 1 . . . . 167 THR H . 27099 1 729 . 1 1 169 169 THR C C 13 174.040 0.028 . 1 . . . . 167 THR C . 27099 1 730 . 1 1 169 169 THR CA C 13 60.244 0.157 . 1 . . . . 167 THR CA . 27099 1 731 . 1 1 169 169 THR CB C 13 70.413 0.000 . 1 . . . . 167 THR CB . 27099 1 732 . 1 1 169 169 THR N N 15 113.056 0.145 . 1 . . . . 167 THR N . 27099 1 733 . 1 1 170 170 GLY H H 1 8.879 0.011 . 1 . . . . 168 GLY H . 27099 1 734 . 1 1 170 170 GLY C C 13 173.374 0.014 . 1 . . . . 168 GLY C . 27099 1 735 . 1 1 170 170 GLY CA C 13 43.794 0.090 . 1 . . . . 168 GLY CA . 27099 1 736 . 1 1 170 170 GLY N N 15 112.249 0.160 . 1 . . . . 168 GLY N . 27099 1 737 . 1 1 171 171 GLU H H 1 8.327 0.011 . 1 . . . . 169 GLU H . 27099 1 738 . 1 1 171 171 GLU C C 13 175.361 0.020 . 1 . . . . 169 GLU C . 27099 1 739 . 1 1 171 171 GLU CA C 13 56.398 0.123 . 1 . . . . 169 GLU CA . 27099 1 740 . 1 1 171 171 GLU CB C 13 29.564 0.000 . 1 . . . . 169 GLU CB . 27099 1 741 . 1 1 171 171 GLU N N 15 114.296 0.150 . 1 . . . . 169 GLU N . 27099 1 742 . 1 1 172 172 ALA H H 1 9.114 0.023 . 1 . . . . 170 ALA H . 27099 1 743 . 1 1 172 172 ALA C C 13 175.979 0.000 . 1 . . . . 170 ALA C . 27099 1 744 . 1 1 172 172 ALA CA C 13 51.001 0.110 . 1 . . . . 170 ALA CA . 27099 1 745 . 1 1 172 172 ALA CB C 13 15.564 0.000 . 1 . . . . 170 ALA CB . 27099 1 746 . 1 1 172 172 ALA N N 15 123.850 0.138 . 1 . . . . 170 ALA N . 27099 1 747 . 1 1 173 173 PRO C C 13 174.566 0.039 . 1 . . . . 171 PRO C . 27099 1 748 . 1 1 173 173 PRO CA C 13 64.428 0.000 . 1 . . . . 171 PRO CA . 27099 1 749 . 1 1 174 174 GLY H H 1 8.619 0.006 . 1 . . . . 172 GLY H . 27099 1 750 . 1 1 174 174 GLY C C 13 173.449 0.025 . 1 . . . . 172 GLY C . 27099 1 751 . 1 1 174 174 GLY CA C 13 43.488 0.107 . 1 . . . . 172 GLY CA . 27099 1 752 . 1 1 174 174 GLY N N 15 116.638 0.120 . 1 . . . . 172 GLY N . 27099 1 753 . 1 1 175 175 THR H H 1 9.630 0.010 . 1 . . . . 173 THR H . 27099 1 754 . 1 1 175 175 THR C C 13 173.203 0.007 . 1 . . . . 173 THR C . 27099 1 755 . 1 1 175 175 THR CA C 13 60.570 0.104 . 1 . . . . 173 THR CA . 27099 1 756 . 1 1 175 175 THR CB C 13 70.864 0.000 . 1 . . . . 173 THR CB . 27099 1 757 . 1 1 175 175 THR N N 15 115.726 0.180 . 1 . . . . 173 THR N . 27099 1 758 . 1 1 176 176 VAL H H 1 8.351 0.013 . 1 . . . . 174 VAL H . 27099 1 759 . 1 1 176 176 VAL C C 13 174.325 0.000 . 1 . . . . 174 VAL C . 27099 1 760 . 1 1 176 176 VAL CA C 13 59.239 0.120 . 1 . . . . 174 VAL CA . 27099 1 761 . 1 1 176 176 VAL CB C 13 31.921 0.000 . 1 . . . . 174 VAL CB . 27099 1 762 . 1 1 176 176 VAL N N 15 121.835 0.167 . 1 . . . . 174 VAL N . 27099 1 stop_ save_