################################### # 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 18509 _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 1 '2D CP-HSQC' . . . 18509 1 5 '3D (H)CONH' . . . 18509 1 6 '2D NCA' . . . 18509 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 2 2 THR C C 13 170.139 0.40 . 1 . . . A 2 THR C . 18509 1 2 . 1 1 3 3 LYS H H 1 8.666 0.02 . 1 . . . A 3 LYS H . 18509 1 3 . 1 1 3 3 LYS C C 13 171.607 0.40 . 1 . . . A 3 LYS C . 18509 1 4 . 1 1 3 3 LYS CA C 13 51.178 0.40 . 1 . . . A 3 LYS CA . 18509 1 5 . 1 1 3 3 LYS N N 15 123.998 0.40 . 1 . . . A 3 LYS N . 18509 1 6 . 1 1 4 4 ALA H H 1 9.116 0.02 . 1 . . . A 4 ALA H . 18509 1 7 . 1 1 4 4 ALA C C 13 172.145 0.40 . 1 . . . A 4 ALA C . 18509 1 8 . 1 1 4 4 ALA CA C 13 47.504 0.40 . 1 . . . A 4 ALA CA . 18509 1 9 . 1 1 4 4 ALA N N 15 123.295 0.40 . 1 . . . A 4 ALA N . 18509 1 10 . 1 1 5 5 VAL H H 1 9.545 0.02 . 1 . . . A 5 VAL H . 18509 1 11 . 1 1 5 5 VAL C C 13 167.836 0.40 . 1 . . . A 5 VAL C . 18509 1 12 . 1 1 5 5 VAL CA C 13 56.875 0.40 . 1 . . . A 5 VAL CA . 18509 1 13 . 1 1 5 5 VAL N N 15 121.466 0.40 . 1 . . . A 5 VAL N . 18509 1 14 . 1 1 6 6 ALA H H 1 9.177 0.02 . 1 . . . A 6 ALA H . 18509 1 15 . 1 1 6 6 ALA C C 13 171.607 0.40 . 1 . . . A 6 ALA C . 18509 1 16 . 1 1 6 6 ALA CA C 13 47.471 0.40 . 1 . . . A 6 ALA CA . 18509 1 17 . 1 1 6 6 ALA N N 15 125.984 0.40 . 1 . . . A 6 ALA N . 18509 1 18 . 1 1 7 7 VAL H H 1 9.116 0.02 . 1 . . . A 7 VAL H . 18509 1 19 . 1 1 7 7 VAL C C 13 172.244 0.40 . 1 . . . A 7 VAL C . 18509 1 20 . 1 1 7 7 VAL CA C 13 58.476 0.40 . 1 . . . A 7 VAL CA . 18509 1 21 . 1 1 7 7 VAL N N 15 123.600 0.40 . 1 . . . A 7 VAL N . 18509 1 22 . 1 1 8 8 LEU H H 1 8.916 0.02 . 1 . . . A 8 LEU H . 18509 1 23 . 1 1 8 8 LEU C C 13 172.557 0.40 . 1 . . . A 8 LEU C . 18509 1 24 . 1 1 8 8 LEU CA C 13 51.052 0.40 . 1 . . . A 8 LEU CA . 18509 1 25 . 1 1 8 8 LEU N N 15 126.455 0.40 . 1 . . . A 8 LEU N . 18509 1 26 . 1 1 9 9 LYS H H 1 8.315 0.02 . 1 . . . A 9 LYS H . 18509 1 27 . 1 1 9 9 LYS C C 13 172.509 0.40 . 1 . . . A 9 LYS C . 18509 1 28 . 1 1 9 9 LYS CA C 13 51.897 0.40 . 1 . . . A 9 LYS CA . 18509 1 29 . 1 1 9 9 LYS N N 15 120.820 0.40 . 1 . . . A 9 LYS N . 18509 1 30 . 1 1 10 10 GLY H H 1 8.968 0.02 . 1 . . . A 10 GLY H . 18509 1 31 . 1 1 10 10 GLY C C 13 169.847 0.40 . 1 . . . A 10 GLY C . 18509 1 32 . 1 1 10 10 GLY CA C 13 42.275 0.40 . 1 . . . A 10 GLY CA . 18509 1 33 . 1 1 10 10 GLY N N 15 111.249 0.40 . 1 . . . A 10 GLY N . 18509 1 34 . 1 1 11 11 ASP H H 1 8.745 0.02 . 1 . . . A 11 ASP H . 18509 1 35 . 1 1 11 11 ASP C C 13 173.132 0.40 . 1 . . . A 11 ASP C . 18509 1 36 . 1 1 11 11 ASP CA C 13 51.317 0.40 . 1 . . . A 11 ASP CA . 18509 1 37 . 1 1 11 11 ASP N N 15 120.904 0.40 . 1 . . . A 11 ASP N . 18509 1 38 . 1 1 12 12 GLY H H 1 7.985 0.02 . 1 . . . A 12 GLY H . 18509 1 39 . 1 1 12 12 GLY CA C 13 41.200 0.40 . 1 . . . A 12 GLY CA . 18509 1 40 . 1 1 12 12 GLY N N 15 109.862 0.40 . 1 . . . A 12 GLY N . 18509 1 41 . 1 1 13 13 PRO C C 13 173.640 0.40 . 1 . . . A 13 PRO C . 18509 1 42 . 1 1 14 14 VAL H H 1 7.476 0.02 . 1 . . . A 14 VAL H . 18509 1 43 . 1 1 14 14 VAL C C 13 172.804 0.40 . 1 . . . A 14 VAL C . 18509 1 44 . 1 1 14 14 VAL CA C 13 59.884 0.40 . 1 . . . A 14 VAL CA . 18509 1 45 . 1 1 14 14 VAL N N 15 120.414 0.40 . 1 . . . A 14 VAL N . 18509 1 46 . 1 1 15 15 GLN H H 1 7.938 0.02 . 1 . . . A 15 GLN H . 18509 1 47 . 1 1 15 15 GLN C C 13 171.168 0.40 . 1 . . . A 15 GLN C . 18509 1 48 . 1 1 15 15 GLN CA C 13 50.679 0.40 . 1 . . . A 15 GLN CA . 18509 1 49 . 1 1 15 15 GLN N N 15 122.664 0.40 . 1 . . . A 15 GLN N . 18509 1 50 . 1 1 16 16 GLY H H 1 8.288 0.02 . 1 . . . A 16 GLY H . 18509 1 51 . 1 1 16 16 GLY C C 13 167.726 0.40 . 1 . . . A 16 GLY C . 18509 1 52 . 1 1 16 16 GLY CA C 13 43.625 0.40 . 1 . . . A 16 GLY CA . 18509 1 53 . 1 1 16 16 GLY N N 15 107.018 0.40 . 1 . . . A 16 GLY N . 18509 1 54 . 1 1 17 17 ILE H H 1 7.948 0.02 . 1 . . . A 17 ILE H . 18509 1 55 . 1 1 17 17 ILE C C 13 171.194 0.40 . 1 . . . A 17 ILE C . 18509 1 56 . 1 1 17 17 ILE CA C 13 58.497 0.40 . 1 . . . A 17 ILE CA . 18509 1 57 . 1 1 17 17 ILE N N 15 120.248 0.40 . 1 . . . A 17 ILE N . 18509 1 58 . 1 1 18 18 ILE H H 1 8.725 0.02 . 1 . . . A 18 ILE H . 18509 1 59 . 1 1 18 18 ILE C C 13 168.889 0.40 . 1 . . . A 18 ILE C . 18509 1 60 . 1 1 18 18 ILE CA C 13 53.431 0.40 . 1 . . . A 18 ILE CA . 18509 1 61 . 1 1 18 18 ILE N N 15 125.851 0.40 . 1 . . . A 18 ILE N . 18509 1 62 . 1 1 19 19 ASN H H 1 8.727 0.02 . 1 . . . A 19 ASN H . 18509 1 63 . 1 1 19 19 ASN C C 13 168.903 0.40 . 1 . . . A 19 ASN C . 18509 1 64 . 1 1 19 19 ASN CA C 13 49.088 0.40 . 1 . . . A 19 ASN CA . 18509 1 65 . 1 1 19 19 ASN N N 15 123.256 0.40 . 1 . . . A 19 ASN N . 18509 1 66 . 1 1 20 20 PHE H H 1 8.399 0.02 . 1 . . . A 20 PHE H . 18509 1 67 . 1 1 20 20 PHE C C 13 173.219 0.40 . 1 . . . A 20 PHE C . 18509 1 68 . 1 1 20 20 PHE CA C 13 52.058 0.40 . 1 . . . A 20 PHE CA . 18509 1 69 . 1 1 20 20 PHE N N 15 113.849 0.40 . 1 . . . A 20 PHE N . 18509 1 70 . 1 1 21 21 GLU H H 1 9.526 0.02 . 1 . . . A 21 GLU H . 18509 1 71 . 1 1 21 21 GLU C C 13 170.280 0.40 . 1 . . . A 21 GLU C . 18509 1 72 . 1 1 21 21 GLU CA C 13 53.044 0.40 . 1 . . . A 21 GLU CA . 18509 1 73 . 1 1 21 21 GLU N N 15 121.454 0.40 . 1 . . . A 21 GLU N . 18509 1 74 . 1 1 22 22 GLN H H 1 9.305 0.02 . 1 . . . A 22 GLN H . 18509 1 75 . 1 1 22 22 GLN CA C 13 51.180 0.40 . 1 . . . A 22 GLN CA . 18509 1 76 . 1 1 22 22 GLN N N 15 130.340 0.40 . 1 . . . A 22 GLN N . 18509 1 77 . 1 1 23 23 LYS H H 1 9.088 0.02 . 1 . . . A 23 LYS H . 18509 1 78 . 1 1 23 23 LYS CA C 13 57.241 0.40 . 1 . . . A 23 LYS CA . 18509 1 79 . 1 1 23 23 LYS N N 15 128.657 0.40 . 1 . . . A 23 LYS N . 18509 1 80 . 1 1 24 24 GLU CA C 13 51.392 0.40 . 1 . . . A 24 GLU CA . 18509 1 81 . 1 1 25 25 SER CA C 13 58.078 0.40 . 1 . . . A 25 SER CA . 18509 1 82 . 1 1 27 27 GLY H H 1 8.032 0.02 . 1 . . . A 27 GLY H . 18509 1 83 . 1 1 27 27 GLY CA C 13 42.925 0.40 . 1 . . . A 27 GLY CA . 18509 1 84 . 1 1 27 27 GLY N N 15 108.125 0.40 . 1 . . . A 27 GLY N . 18509 1 85 . 1 1 28 28 PRO C C 13 173.128 0.40 . 1 . . . A 28 PRO C . 18509 1 86 . 1 1 29 29 VAL H H 1 9.089 0.02 . 1 . . . A 29 VAL H . 18509 1 87 . 1 1 29 29 VAL C C 13 172.198 0.40 . 1 . . . A 29 VAL C . 18509 1 88 . 1 1 29 29 VAL CA C 13 57.720 0.40 . 1 . . . A 29 VAL CA . 18509 1 89 . 1 1 29 29 VAL N N 15 121.267 0.40 . 1 . . . A 29 VAL N . 18509 1 90 . 1 1 30 30 LYS H H 1 9.200 0.02 . 1 . . . A 30 LYS H . 18509 1 91 . 1 1 30 30 LYS C C 13 172.098 0.40 . 1 . . . A 30 LYS C . 18509 1 92 . 1 1 30 30 LYS CA C 13 52.642 0.40 . 1 . . . A 30 LYS CA . 18509 1 93 . 1 1 30 30 LYS N N 15 127.589 0.40 . 1 . . . A 30 LYS N . 18509 1 94 . 1 1 31 31 VAL H H 1 9.282 0.02 . 1 . . . A 31 VAL H . 18509 1 95 . 1 1 31 31 VAL C C 13 172.244 0.40 . 1 . . . A 31 VAL C . 18509 1 96 . 1 1 31 31 VAL CA C 13 57.139 0.40 . 1 . . . A 31 VAL CA . 18509 1 97 . 1 1 31 31 VAL N N 15 126.037 0.40 . 1 . . . A 31 VAL N . 18509 1 98 . 1 1 32 32 TRP H H 1 8.983 0.02 . 1 . . . A 32 TRP H . 18509 1 99 . 1 1 32 32 TRP C C 13 170.156 0.40 . 1 . . . A 32 TRP C . 18509 1 100 . 1 1 32 32 TRP CA C 13 53.137 0.40 . 1 . . . A 32 TRP CA . 18509 1 101 . 1 1 32 32 TRP N N 15 125.414 0.40 . 1 . . . A 32 TRP N . 18509 1 102 . 1 1 33 33 GLY H H 1 8.360 0.02 . 1 . . . A 33 GLY H . 18509 1 103 . 1 1 33 33 GLY C C 13 168.400 0.40 . 1 . . . A 33 GLY C . 18509 1 104 . 1 1 33 33 GLY CA C 13 41.567 0.40 . 1 . . . A 33 GLY CA . 18509 1 105 . 1 1 33 33 GLY N N 15 107.848 0.40 . 1 . . . A 33 GLY N . 18509 1 106 . 1 1 34 34 SER H H 1 7.838 0.02 . 1 . . . A 34 SER H . 18509 1 107 . 1 1 34 34 SER C C 13 169.618 0.40 . 1 . . . A 34 SER C . 18509 1 108 . 1 1 34 34 SER CA C 13 53.875 0.40 . 1 . . . A 34 SER CA . 18509 1 109 . 1 1 34 34 SER N N 15 114.377 0.40 . 1 . . . A 34 SER N . 18509 1 110 . 1 1 35 35 ILE H H 1 8.496 0.02 . 1 . . . A 35 ILE H . 18509 1 111 . 1 1 35 35 ILE C C 13 169.713 0.40 . 1 . . . A 35 ILE C . 18509 1 112 . 1 1 35 35 ILE CA C 13 56.769 0.40 . 1 . . . A 35 ILE CA . 18509 1 113 . 1 1 35 35 ILE N N 15 123.149 0.40 . 1 . . . A 35 ILE N . 18509 1 114 . 1 1 36 36 LYS H H 1 9.091 0.02 . 1 . . . A 36 LYS H . 18509 1 115 . 1 1 36 36 LYS C C 13 172.260 0.40 . 1 . . . A 36 LYS C . 18509 1 116 . 1 1 36 36 LYS CA C 13 51.150 0.40 . 1 . . . A 36 LYS CA . 18509 1 117 . 1 1 36 36 LYS N N 15 123.803 0.40 . 1 . . . A 36 LYS N . 18509 1 118 . 1 1 37 37 GLY H H 1 8.237 0.02 . 1 . . . A 37 GLY H . 18509 1 119 . 1 1 37 37 GLY C C 13 171.641 0.40 . 1 . . . A 37 GLY C . 18509 1 120 . 1 1 37 37 GLY CA C 13 42.361 0.40 . 1 . . . A 37 GLY CA . 18509 1 121 . 1 1 37 37 GLY N N 15 105.495 0.40 . 1 . . . A 37 GLY N . 18509 1 122 . 1 1 38 38 LEU H H 1 8.156 0.02 . 1 . . . A 38 LEU H . 18509 1 123 . 1 1 38 38 LEU C C 13 174.112 0.40 . 1 . . . A 38 LEU C . 18509 1 124 . 1 1 38 38 LEU CA C 13 50.471 0.40 . 1 . . . A 38 LEU CA . 18509 1 125 . 1 1 38 38 LEU N N 15 120.966 0.40 . 1 . . . A 38 LEU N . 18509 1 126 . 1 1 39 39 THR H H 1 8.660 0.02 . 1 . . . A 39 THR H . 18509 1 127 . 1 1 39 39 THR C C 13 173.102 0.40 . 1 . . . A 39 THR C . 18509 1 128 . 1 1 39 39 THR CA C 13 58.194 0.40 . 1 . . . A 39 THR CA . 18509 1 129 . 1 1 39 39 THR N N 15 110.363 0.40 . 1 . . . A 39 THR N . 18509 1 130 . 1 1 40 40 GLU H H 1 8.804 0.02 . 1 . . . A 40 GLU H . 18509 1 131 . 1 1 40 40 GLU C C 13 173.134 0.40 . 1 . . . A 40 GLU C . 18509 1 132 . 1 1 40 40 GLU CA C 13 54.356 0.40 . 1 . . . A 40 GLU CA . 18509 1 133 . 1 1 40 40 GLU N N 15 125.818 0.40 . 1 . . . A 40 GLU N . 18509 1 134 . 1 1 41 41 GLY H H 1 8.763 0.02 . 1 . . . A 41 GLY H . 18509 1 135 . 1 1 41 41 GLY C C 13 170.046 0.40 . 1 . . . A 41 GLY C . 18509 1 136 . 1 1 41 41 GLY CA C 13 40.054 0.40 . 1 . . . A 41 GLY CA . 18509 1 137 . 1 1 41 41 GLY N N 15 113.875 0.40 . 1 . . . A 41 GLY N . 18509 1 138 . 1 1 42 42 LEU H H 1 8.313 0.02 . 1 . . . A 42 LEU H . 18509 1 139 . 1 1 42 42 LEU C C 13 174.218 0.40 . 1 . . . A 42 LEU C . 18509 1 140 . 1 1 42 42 LEU CA C 13 52.155 0.40 . 1 . . . A 42 LEU CA . 18509 1 141 . 1 1 42 42 LEU N N 15 120.137 0.40 . 1 . . . A 42 LEU N . 18509 1 142 . 1 1 43 43 HIS H H 1 8.712 0.02 . 1 . . . A 43 HIS H . 18509 1 143 . 1 1 43 43 HIS C C 13 171.504 0.40 . 1 . . . A 43 HIS C . 18509 1 144 . 1 1 43 43 HIS CA C 13 50.985 0.40 . 1 . . . A 43 HIS CA . 18509 1 145 . 1 1 43 43 HIS N N 15 114.385 0.40 . 1 . . . A 43 HIS N . 18509 1 146 . 1 1 44 44 GLY H H 1 8.875 0.02 . 1 . . . A 44 GLY H . 18509 1 147 . 1 1 44 44 GLY C C 13 168.656 0.40 . 1 . . . A 44 GLY C . 18509 1 148 . 1 1 44 44 GLY CA C 13 44.195 0.40 . 1 . . . A 44 GLY CA . 18509 1 149 . 1 1 44 44 GLY N N 15 108.872 0.40 . 1 . . . A 44 GLY N . 18509 1 150 . 1 1 45 45 PHE H H 1 8.111 0.02 . 1 . . . A 45 PHE H . 18509 1 151 . 1 1 45 45 PHE CA C 13 53.098 0.40 . 1 . . . A 45 PHE CA . 18509 1 152 . 1 1 45 45 PHE N N 15 126.439 0.40 . 1 . . . A 45 PHE N . 18509 1 153 . 1 1 46 46 HIS H H 1 8.107 0.02 . 1 . . . A 46 HIS H . 18509 1 154 . 1 1 46 46 HIS C C 13 172.415 0.40 . 1 . . . A 46 HIS C . 18509 1 155 . 1 1 46 46 HIS CA C 13 49.206 0.40 . 1 . . . A 46 HIS CA . 18509 1 156 . 1 1 46 46 HIS N N 15 115.353 0.40 . 1 . . . A 46 HIS N . 18509 1 157 . 1 1 47 47 VAL H H 1 9.366 0.02 . 1 . . . A 47 VAL H . 18509 1 158 . 1 1 47 47 VAL C C 13 173.900 0.40 . 1 . . . A 47 VAL C . 18509 1 159 . 1 1 47 47 VAL CA C 13 58.792 0.40 . 1 . . . A 47 VAL CA . 18509 1 160 . 1 1 47 47 VAL N N 15 120.548 0.40 . 1 . . . A 47 VAL N . 18509 1 161 . 1 1 48 48 HIS H H 1 10.210 0.02 . 1 . . . A 48 HIS H . 18509 1 162 . 1 1 48 48 HIS C C 13 171.084 0.40 . 1 . . . A 48 HIS C . 18509 1 163 . 1 1 48 48 HIS CA C 13 52.756 0.40 . 1 . . . A 48 HIS CA . 18509 1 164 . 1 1 48 48 HIS N N 15 129.236 0.40 . 1 . . . A 48 HIS N . 18509 1 165 . 1 1 49 49 GLU H H 1 8.492 0.02 . 1 . . . A 49 GLU H . 18509 1 166 . 1 1 49 49 GLU C C 13 171.635 0.40 . 1 . . . A 49 GLU C . 18509 1 167 . 1 1 49 49 GLU CA C 13 57.759 0.40 . 1 . . . A 49 GLU CA . 18509 1 168 . 1 1 49 49 GLU N N 15 118.119 0.40 . 1 . . . A 49 GLU N . 18509 1 169 . 1 1 50 50 PHE H H 1 8.580 0.02 . 1 . . . A 50 PHE H . 18509 1 170 . 1 1 50 50 PHE C C 13 175.252 0.40 . 1 . . . A 50 PHE C . 18509 1 171 . 1 1 50 50 PHE CA C 13 52.900 0.40 . 1 . . . A 50 PHE CA . 18509 1 172 . 1 1 50 50 PHE N N 15 110.329 0.40 . 1 . . . A 50 PHE N . 18509 1 173 . 1 1 51 51 GLY H H 1 10.208 0.02 . 1 . . . A 51 GLY H . 18509 1 174 . 1 1 51 51 GLY C C 13 168.248 0.40 . 1 . . . A 51 GLY C . 18509 1 175 . 1 1 51 51 GLY N N 15 119.251 0.40 . 1 . . . A 51 GLY N . 18509 1 176 . 1 1 52 52 ASP H H 1 5.834 0.02 . 1 . . . A 52 ASP H . 18509 1 177 . 1 1 52 52 ASP CA C 13 48.891 0.40 . 1 . . . A 52 ASP CA . 18509 1 178 . 1 1 52 52 ASP N N 15 114.958 0.40 . 1 . . . A 52 ASP N . 18509 1 179 . 1 1 53 53 ASN H H 1 9.360 0.02 . 1 . . . A 53 ASN H . 18509 1 180 . 1 1 53 53 ASN CA C 13 48.233 0.40 . 1 . . . A 53 ASN CA . 18509 1 181 . 1 1 53 53 ASN N N 15 128.224 0.40 . 1 . . . A 53 ASN N . 18509 1 182 . 1 1 54 54 THR C C 13 168.656 0.40 . 1 . . . A 54 THR C . 18509 1 183 . 1 1 55 55 ALA H H 1 8.390 0.02 . 1 . . . A 55 ALA H . 18509 1 184 . 1 1 55 55 ALA C C 13 174.185 0.40 . 1 . . . A 55 ALA C . 18509 1 185 . 1 1 55 55 ALA CA C 13 46.155 0.40 . 1 . . . A 55 ALA CA . 18509 1 186 . 1 1 55 55 ALA N N 15 126.661 0.40 . 1 . . . A 55 ALA N . 18509 1 187 . 1 1 56 56 GLY H H 1 7.282 0.02 . 1 . . . A 56 GLY H . 18509 1 188 . 1 1 56 56 GLY C C 13 171.578 0.40 . 1 . . . A 56 GLY C . 18509 1 189 . 1 1 56 56 GLY CA C 13 42.580 0.40 . 1 . . . A 56 GLY CA . 18509 1 190 . 1 1 56 56 GLY N N 15 107.903 0.40 . 1 . . . A 56 GLY N . 18509 1 191 . 1 1 57 57 CYS H H 1 8.900 0.02 . 1 . . . A 57 CYS H . 18509 1 192 . 1 1 57 57 CYS C C 13 175.209 0.40 . 1 . . . A 57 CYS C . 18509 1 193 . 1 1 57 57 CYS CA C 13 49.088 0.40 . 1 . . . A 57 CYS CA . 18509 1 194 . 1 1 57 57 CYS N N 15 117.952 0.40 . 1 . . . A 57 CYS N . 18509 1 195 . 1 1 58 58 THR H H 1 8.505 0.02 . 1 . . . A 58 THR H . 18509 1 196 . 1 1 58 58 THR CA C 13 58.239 0.40 . 1 . . . A 58 THR CA . 18509 1 197 . 1 1 58 58 THR N N 15 119.852 0.40 . 1 . . . A 58 THR N . 18509 1 198 . 1 1 59 59 SER C C 13 170.763 0.40 . 1 . . . A 59 SER C . 18509 1 199 . 1 1 59 59 SER CA C 13 55.609 0.40 . 1 . . . A 59 SER CA . 18509 1 200 . 1 1 60 60 ALA H H 1 6.898 0.02 . 1 . . . A 60 ALA H . 18509 1 201 . 1 1 60 60 ALA CA C 13 49.940 0.40 . 1 . . . A 60 ALA CA . 18509 1 202 . 1 1 60 60 ALA N N 15 119.753 0.40 . 1 . . . A 60 ALA N . 18509 1 203 . 1 1 61 61 GLY H H 1 7.730 0.02 . 1 . . . A 61 GLY H . 18509 1 204 . 1 1 61 61 GLY CA C 13 42.805 0.40 . 1 . . . A 61 GLY CA . 18509 1 205 . 1 1 61 61 GLY N N 15 101.351 0.40 . 1 . . . A 61 GLY N . 18509 1 206 . 1 1 62 62 PRO C C 13 172.276 0.40 . 1 . . . A 62 PRO C . 18509 1 207 . 1 1 63 63 HIS H H 1 7.474 0.02 . 1 . . . A 63 HIS H . 18509 1 208 . 1 1 63 63 HIS CA C 13 52.119 0.40 . 1 . . . A 63 HIS CA . 18509 1 209 . 1 1 63 63 HIS N N 15 115.023 0.40 . 1 . . . A 63 HIS N . 18509 1 210 . 1 1 64 64 PHE C C 13 171.731 0.40 . 1 . . . A 64 PHE C . 18509 1 211 . 1 1 65 65 ASN H H 1 9.426 0.02 . 1 . . . A 65 ASN H . 18509 1 212 . 1 1 65 65 ASN CA C 13 47.753 0.40 . 1 . . . A 65 ASN CA . 18509 1 213 . 1 1 65 65 ASN N N 15 126.978 0.40 . 1 . . . A 65 ASN N . 18509 1 214 . 1 1 67 67 LEU H H 1 7.720 0.02 . 1 . . . A 67 LEU H . 18509 1 215 . 1 1 67 67 LEU C C 13 172.580 0.40 . 1 . . . A 67 LEU C . 18509 1 216 . 1 1 67 67 LEU CA C 13 50.911 0.40 . 1 . . . A 67 LEU CA . 18509 1 217 . 1 1 67 67 LEU N N 15 117.937 0.40 . 1 . . . A 67 LEU N . 18509 1 218 . 1 1 68 68 SER H H 1 7.428 0.02 . 1 . . . A 68 SER H . 18509 1 219 . 1 1 68 68 SER CA C 13 55.953 0.40 . 1 . . . A 68 SER CA . 18509 1 220 . 1 1 68 68 SER N N 15 110.842 0.40 . 1 . . . A 68 SER N . 18509 1 221 . 1 1 69 69 ARG H H 1 8.508 0.02 . 1 . . . A 69 ARG H . 18509 1 222 . 1 1 69 69 ARG C C 13 173.381 0.40 . 1 . . . A 69 ARG C . 18509 1 223 . 1 1 69 69 ARG CA C 13 50.543 0.40 . 1 . . . A 69 ARG CA . 18509 1 224 . 1 1 69 69 ARG N N 15 120.782 0.40 . 1 . . . A 69 ARG N . 18509 1 225 . 1 1 70 70 LYS H H 1 8.745 0.02 . 1 . . . A 70 LYS H . 18509 1 226 . 1 1 70 70 LYS C C 13 169.994 0.40 . 1 . . . A 70 LYS C . 18509 1 227 . 1 1 70 70 LYS CA C 13 52.596 0.40 . 1 . . . A 70 LYS CA . 18509 1 228 . 1 1 70 70 LYS N N 15 118.055 0.40 . 1 . . . A 70 LYS N . 18509 1 229 . 1 1 71 71 HIS H H 1 7.152 0.02 . 1 . . . A 71 HIS H . 18509 1 230 . 1 1 71 71 HIS C C 13 171.534 0.40 . 1 . . . A 71 HIS C . 18509 1 231 . 1 1 71 71 HIS CA C 13 52.549 0.40 . 1 . . . A 71 HIS CA . 18509 1 232 . 1 1 71 71 HIS N N 15 111.871 0.40 . 1 . . . A 71 HIS N . 18509 1 233 . 1 1 72 72 GLY H H 1 7.209 0.02 . 1 . . . A 72 GLY H . 18509 1 234 . 1 1 72 72 GLY C C 13 168.634 0.40 . 1 . . . A 72 GLY C . 18509 1 235 . 1 1 72 72 GLY CA C 13 41.274 0.40 . 1 . . . A 72 GLY CA . 18509 1 236 . 1 1 72 72 GLY N N 15 112.910 0.40 . 1 . . . A 72 GLY N . 18509 1 237 . 1 1 73 73 GLY H H 1 8.789 0.02 . 1 . . . A 73 GLY H . 18509 1 238 . 1 1 73 73 GLY CA C 13 41.221 0.40 . 1 . . . A 73 GLY CA . 18509 1 239 . 1 1 73 73 GLY N N 15 105.207 0.40 . 1 . . . A 73 GLY N . 18509 1 240 . 1 1 74 74 PRO C C 13 175.753 0.40 . 1 . . . A 74 PRO C . 18509 1 241 . 1 1 75 75 LYS H H 1 8.651 0.02 . 1 . . . A 75 LYS H . 18509 1 242 . 1 1 75 75 LYS C C 13 173.640 0.40 . 1 . . . A 75 LYS C . 18509 1 243 . 1 1 75 75 LYS CA C 13 51.103 0.40 . 1 . . . A 75 LYS CA . 18509 1 244 . 1 1 75 75 LYS N N 15 114.868 0.40 . 1 . . . A 75 LYS N . 18509 1 245 . 1 1 76 76 ASP H H 1 7.461 0.02 . 1 . . . A 76 ASP H . 18509 1 246 . 1 1 76 76 ASP C C 13 172.557 0.40 . 1 . . . A 76 ASP C . 18509 1 247 . 1 1 76 76 ASP CA C 13 51.309 0.40 . 1 . . . A 76 ASP CA . 18509 1 248 . 1 1 76 76 ASP N N 15 120.414 0.40 . 1 . . . A 76 ASP N . 18509 1 249 . 1 1 77 77 GLU H H 1 8.315 0.02 . 1 . . . A 77 GLU H . 18509 1 250 . 1 1 77 77 GLU C C 13 174.101 0.40 . 1 . . . A 77 GLU C . 18509 1 251 . 1 1 77 77 GLU CA C 13 55.513 0.40 . 1 . . . A 77 GLU CA . 18509 1 252 . 1 1 77 77 GLU N N 15 120.820 0.40 . 1 . . . A 77 GLU N . 18509 1 253 . 1 1 78 78 GLU H H 1 8.109 0.02 . 1 . . . A 78 GLU H . 18509 1 254 . 1 1 78 78 GLU C C 13 168.285 0.40 . 1 . . . A 78 GLU C . 18509 1 255 . 1 1 78 78 GLU CA C 13 52.078 0.40 . 1 . . . A 78 GLU CA . 18509 1 256 . 1 1 78 78 GLU N N 15 119.251 0.40 . 1 . . . A 78 GLU N . 18509 1 257 . 1 1 79 79 ARG H H 1 6.999 0.02 . 1 . . . A 79 ARG H . 18509 1 258 . 1 1 79 79 ARG C C 13 172.123 0.40 . 1 . . . A 79 ARG C . 18509 1 259 . 1 1 79 79 ARG CA C 13 51.074 0.40 . 1 . . . A 79 ARG CA . 18509 1 260 . 1 1 79 79 ARG N N 15 118.991 0.40 . 1 . . . A 79 ARG N . 18509 1 261 . 1 1 80 80 HIS H H 1 8.355 0.02 . 1 . . . A 80 HIS H . 18509 1 262 . 1 1 80 80 HIS CA C 13 49.953 0.40 . 1 . . . A 80 HIS CA . 18509 1 263 . 1 1 80 80 HIS N N 15 118.000 0.40 . 1 . . . A 80 HIS N . 18509 1 264 . 1 1 81 81 VAL C C 13 173.460 0.40 . 1 . . . A 81 VAL C . 18509 1 265 . 1 1 82 82 GLY H H 1 8.487 0.02 . 1 . . . A 82 GLY H . 18509 1 266 . 1 1 82 82 GLY C C 13 170.370 0.40 . 1 . . . A 82 GLY C . 18509 1 267 . 1 1 82 82 GLY CA C 13 42.688 0.40 . 1 . . . A 82 GLY CA . 18509 1 268 . 1 1 82 82 GLY N N 15 97.322 0.40 . 1 . . . A 82 GLY N . 18509 1 269 . 1 1 83 83 ASP H H 1 7.127 0.02 . 1 . . . A 83 ASP H . 18509 1 270 . 1 1 83 83 ASP C C 13 168.737 0.40 . 1 . . . A 83 ASP C . 18509 1 271 . 1 1 83 83 ASP CA C 13 52.918 0.40 . 1 . . . A 83 ASP CA . 18509 1 272 . 1 1 83 83 ASP N N 15 120.890 0.40 . 1 . . . A 83 ASP N . 18509 1 273 . 1 1 84 84 LEU H H 1 7.128 0.02 . 1 . . . A 84 LEU H . 18509 1 274 . 1 1 84 84 LEU C C 13 173.212 0.40 . 1 . . . A 84 LEU C . 18509 1 275 . 1 1 84 84 LEU CA C 13 50.433 0.40 . 1 . . . A 84 LEU CA . 18509 1 276 . 1 1 84 84 LEU N N 15 120.154 0.40 . 1 . . . A 84 LEU N . 18509 1 277 . 1 1 85 85 GLY H H 1 8.260 0.02 . 1 . . . A 85 GLY H . 18509 1 278 . 1 1 85 85 GLY C C 13 167.654 0.40 . 1 . . . A 85 GLY C . 18509 1 279 . 1 1 85 85 GLY CA C 13 43.011 0.40 . 1 . . . A 85 GLY CA . 18509 1 280 . 1 1 85 85 GLY N N 15 106.867 0.40 . 1 . . . A 85 GLY N . 18509 1 281 . 1 1 86 86 ASN H H 1 8.041 0.02 . 1 . . . A 86 ASN H . 18509 1 282 . 1 1 86 86 ASN C C 13 173.942 0.40 . 1 . . . A 86 ASN C . 18509 1 283 . 1 1 86 86 ASN CA C 13 49.266 0.40 . 1 . . . A 86 ASN CA . 18509 1 284 . 1 1 86 86 ASN N N 15 117.454 0.40 . 1 . . . A 86 ASN N . 18509 1 285 . 1 1 87 87 VAL H H 1 8.960 0.02 . 1 . . . A 87 VAL H . 18509 1 286 . 1 1 87 87 VAL C C 13 171.526 0.40 . 1 . . . A 87 VAL C . 18509 1 287 . 1 1 87 87 VAL CA C 13 55.708 0.40 . 1 . . . A 87 VAL CA . 18509 1 288 . 1 1 87 87 VAL N N 15 113.370 0.40 . 1 . . . A 87 VAL N . 18509 1 289 . 1 1 88 88 THR H H 1 8.681 0.02 . 1 . . . A 88 THR H . 18509 1 290 . 1 1 88 88 THR C C 13 170.367 0.40 . 1 . . . A 88 THR C . 18509 1 291 . 1 1 88 88 THR CA C 13 58.694 0.40 . 1 . . . A 88 THR CA . 18509 1 292 . 1 1 88 88 THR N N 15 117.939 0.40 . 1 . . . A 88 THR N . 18509 1 293 . 1 1 89 89 ALA H H 1 9.377 0.02 . 1 . . . A 89 ALA H . 18509 1 294 . 1 1 89 89 ALA C C 13 174.480 0.40 . 1 . . . A 89 ALA C . 18509 1 295 . 1 1 89 89 ALA CA C 13 46.369 0.40 . 1 . . . A 89 ALA CA . 18509 1 296 . 1 1 89 89 ALA N N 15 128.674 0.40 . 1 . . . A 89 ALA N . 18509 1 297 . 1 1 90 90 ASP H H 1 8.455 0.02 . 1 . . . A 90 ASP H . 18509 1 298 . 1 1 90 90 ASP C C 13 173.825 0.40 . 1 . . . A 90 ASP C . 18509 1 299 . 1 1 90 90 ASP CA C 13 49.347 0.40 . 1 . . . A 90 ASP CA . 18509 1 300 . 1 1 90 90 ASP N N 15 124.235 0.40 . 1 . . . A 90 ASP N . 18509 1 301 . 1 1 91 91 LYS H H 1 8.231 0.02 . 1 . . . A 91 LYS H . 18509 1 302 . 1 1 91 91 LYS C C 13 174.101 0.40 . 1 . . . A 91 LYS C . 18509 1 303 . 1 1 91 91 LYS CA C 13 55.279 0.40 . 1 . . . A 91 LYS CA . 18509 1 304 . 1 1 91 91 LYS N N 15 114.942 0.40 . 1 . . . A 91 LYS N . 18509 1 305 . 1 1 92 92 ASP H H 1 8.109 0.02 . 1 . . . A 92 ASP H . 18509 1 306 . 1 1 92 92 ASP C C 13 173.020 0.40 . 1 . . . A 92 ASP C . 18509 1 307 . 1 1 92 92 ASP CA C 13 51.127 0.40 . 1 . . . A 92 ASP CA . 18509 1 308 . 1 1 92 92 ASP N N 15 119.251 0.40 . 1 . . . A 92 ASP N . 18509 1 309 . 1 1 93 93 GLY H H 1 8.405 0.02 . 1 . . . A 93 GLY H . 18509 1 310 . 1 1 93 93 GLY C C 13 169.706 0.40 . 1 . . . A 93 GLY C . 18509 1 311 . 1 1 93 93 GLY CA C 13 43.763 0.40 . 1 . . . A 93 GLY CA . 18509 1 312 . 1 1 93 93 GLY N N 15 110.868 0.40 . 1 . . . A 93 GLY N . 18509 1 313 . 1 1 94 94 VAL H H 1 7.814 0.02 . 1 . . . A 94 VAL H . 18509 1 314 . 1 1 94 94 VAL C C 13 173.510 0.40 . 1 . . . A 94 VAL C . 18509 1 315 . 1 1 94 94 VAL CA C 13 58.185 0.40 . 1 . . . A 94 VAL CA . 18509 1 316 . 1 1 94 94 VAL N N 15 118.755 0.40 . 1 . . . A 94 VAL N . 18509 1 317 . 1 1 95 95 ALA H H 1 9.763 0.02 . 1 . . . A 95 ALA H . 18509 1 318 . 1 1 95 95 ALA C C 13 171.635 0.40 . 1 . . . A 95 ALA C . 18509 1 319 . 1 1 95 95 ALA CA C 13 46.914 0.40 . 1 . . . A 95 ALA CA . 18509 1 320 . 1 1 95 95 ALA N N 15 131.313 0.40 . 1 . . . A 95 ALA N . 18509 1 321 . 1 1 96 96 ASP H H 1 8.515 0.02 . 1 . . . A 96 ASP H . 18509 1 322 . 1 1 96 96 ASP C C 13 172.336 0.40 . 1 . . . A 96 ASP C . 18509 1 323 . 1 1 96 96 ASP N N 15 125.170 0.40 . 1 . . . A 96 ASP N . 18509 1 324 . 1 1 97 97 VAL H H 1 8.703 0.02 . 1 . . . A 97 VAL H . 18509 1 325 . 1 1 97 97 VAL C C 13 173.488 0.40 . 1 . . . A 97 VAL C . 18509 1 326 . 1 1 97 97 VAL CA C 13 58.243 0.40 . 1 . . . A 97 VAL CA . 18509 1 327 . 1 1 97 97 VAL N N 15 125.879 0.40 . 1 . . . A 97 VAL N . 18509 1 328 . 1 1 98 98 SER H H 1 8.784 0.02 . 1 . . . A 98 SER H . 18509 1 329 . 1 1 98 98 SER C C 13 169.715 0.40 . 1 . . . A 98 SER C . 18509 1 330 . 1 1 98 98 SER CA C 13 55.068 0.40 . 1 . . . A 98 SER CA . 18509 1 331 . 1 1 98 98 SER N N 15 123.017 0.40 . 1 . . . A 98 SER N . 18509 1 332 . 1 1 99 99 ILE H H 1 9.411 0.02 . 1 . . . A 99 ILE H . 18509 1 333 . 1 1 99 99 ILE C C 13 171.321 0.40 . 1 . . . A 99 ILE C . 18509 1 334 . 1 1 99 99 ILE CA C 13 57.155 0.40 . 1 . . . A 99 ILE CA . 18509 1 335 . 1 1 99 99 ILE N N 15 125.807 0.40 . 1 . . . A 99 ILE N . 18509 1 336 . 1 1 100 100 GLU H H 1 8.652 0.02 . 1 . . . A 100 GLU H . 18509 1 337 . 1 1 100 100 GLU C C 13 172.098 0.40 . 1 . . . A 100 GLU C . 18509 1 338 . 1 1 100 100 GLU CA C 13 52.290 0.40 . 1 . . . A 100 GLU CA . 18509 1 339 . 1 1 100 100 GLU N N 15 124.068 0.40 . 1 . . . A 100 GLU N . 18509 1 340 . 1 1 101 101 ASP H H 1 9.317 0.02 . 1 . . . A 101 ASP H . 18509 1 341 . 1 1 101 101 ASP C C 13 171.144 0.40 . 1 . . . A 101 ASP C . 18509 1 342 . 1 1 101 101 ASP CA C 13 51.419 0.40 . 1 . . . A 101 ASP CA . 18509 1 343 . 1 1 101 101 ASP N N 15 126.109 0.40 . 1 . . . A 101 ASP N . 18509 1 344 . 1 1 102 102 SER H H 1 8.933 0.02 . 1 . . . A 102 SER H . 18509 1 345 . 1 1 102 102 SER C C 13 171.596 0.40 . 1 . . . A 102 SER C . 18509 1 346 . 1 1 102 102 SER CA C 13 55.245 0.40 . 1 . . . A 102 SER CA . 18509 1 347 . 1 1 102 102 SER N N 15 118.470 0.40 . 1 . . . A 102 SER N . 18509 1 348 . 1 1 103 103 VAL H H 1 8.148 0.02 . 1 . . . A 103 VAL H . 18509 1 349 . 1 1 103 103 VAL CA C 13 61.450 0.40 . 1 . . . A 103 VAL CA . 18509 1 350 . 1 1 103 103 VAL N N 15 123.179 0.40 . 1 . . . A 103 VAL N . 18509 1 351 . 1 1 104 104 ILE C C 13 169.576 0.40 . 1 . . . A 104 ILE C . 18509 1 352 . 1 1 104 104 ILE CA C 13 60.194 0.40 . 1 . . . A 104 ILE CA . 18509 1 353 . 1 1 105 105 SER H H 1 6.988 0.02 . 1 . . . A 105 SER H . 18509 1 354 . 1 1 105 105 SER C C 13 170.046 0.40 . 1 . . . A 105 SER C . 18509 1 355 . 1 1 105 105 SER CA C 13 52.550 0.40 . 1 . . . A 105 SER CA . 18509 1 356 . 1 1 105 105 SER N N 15 107.618 0.40 . 1 . . . A 105 SER N . 18509 1 357 . 1 1 106 106 LEU H H 1 8.313 0.02 . 1 . . . A 106 LEU H . 18509 1 358 . 1 1 106 106 LEU N N 15 120.137 0.40 . 1 . . . A 106 LEU N . 18509 1 359 . 1 1 107 107 SER C C 13 170.701 0.40 . 1 . . . A 107 SER C . 18509 1 360 . 1 1 107 107 SER CA C 13 54.540 0.40 . 1 . . . A 107 SER CA . 18509 1 361 . 1 1 108 108 GLY H H 1 8.717 0.02 . 1 . . . A 108 GLY H . 18509 1 362 . 1 1 108 108 GLY C C 13 173.128 0.40 . 1 . . . A 108 GLY C . 18509 1 363 . 1 1 108 108 GLY CA C 13 41.287 0.40 . 1 . . . A 108 GLY CA . 18509 1 364 . 1 1 108 108 GLY N N 15 107.603 0.40 . 1 . . . A 108 GLY N . 18509 1 365 . 1 1 109 109 ASP H H 1 9.019 0.02 . 1 . . . A 109 ASP H . 18509 1 366 . 1 1 109 109 ASP C C 13 171.904 0.40 . 1 . . . A 109 ASP C . 18509 1 367 . 1 1 109 109 ASP N N 15 120.664 0.40 . 1 . . . A 109 ASP N . 18509 1 368 . 1 1 110 110 HIS H H 1 9.283 0.02 . 1 . . . A 110 HIS H . 18509 1 369 . 1 1 110 110 HIS N N 15 116.324 0.40 . 1 . . . A 110 HIS N . 18509 1 370 . 1 1 111 111 SER H H 1 7.156 0.02 . 1 . . . A 111 SER H . 18509 1 371 . 1 1 111 111 SER CA C 13 54.681 0.40 . 1 . . . A 111 SER CA . 18509 1 372 . 1 1 111 111 SER N N 15 110.225 0.40 . 1 . . . A 111 SER N . 18509 1 373 . 1 1 112 112 ILE H H 1 7.837 0.02 . 1 . . . A 112 ILE H . 18509 1 374 . 1 1 112 112 ILE C C 13 171.419 0.40 . 1 . . . A 112 ILE C . 18509 1 375 . 1 1 112 112 ILE CA C 13 57.239 0.40 . 1 . . . A 112 ILE CA . 18509 1 376 . 1 1 112 112 ILE N N 15 117.053 0.40 . 1 . . . A 112 ILE N . 18509 1 377 . 1 1 113 113 ILE H H 1 7.592 0.02 . 1 . . . A 113 ILE H . 18509 1 378 . 1 1 113 113 ILE C C 13 173.604 0.40 . 1 . . . A 113 ILE C . 18509 1 379 . 1 1 113 113 ILE CA C 13 58.318 0.40 . 1 . . . A 113 ILE CA . 18509 1 380 . 1 1 113 113 ILE N N 15 121.032 0.40 . 1 . . . A 113 ILE N . 18509 1 381 . 1 1 114 114 GLY H H 1 9.575 0.02 . 1 . . . A 114 GLY H . 18509 1 382 . 1 1 114 114 GLY C C 13 169.739 0.40 . 1 . . . A 114 GLY C . 18509 1 383 . 1 1 114 114 GLY CA C 13 41.910 0.40 . 1 . . . A 114 GLY CA . 18509 1 384 . 1 1 114 114 GLY N N 15 112.661 0.40 . 1 . . . A 114 GLY N . 18509 1 385 . 1 1 115 115 ARG H H 1 7.464 0.02 . 1 . . . A 115 ARG H . 18509 1 386 . 1 1 115 115 ARG C C 13 171.079 0.40 . 1 . . . A 115 ARG C . 18509 1 387 . 1 1 115 115 ARG CA C 13 51.663 0.40 . 1 . . . A 115 ARG CA . 18509 1 388 . 1 1 115 115 ARG N N 15 118.398 0.40 . 1 . . . A 115 ARG N . 18509 1 389 . 1 1 116 116 THR H H 1 6.677 0.02 . 1 . . . A 116 THR H . 18509 1 390 . 1 1 116 116 THR C C 13 169.821 0.40 . 1 . . . A 116 THR C . 18509 1 391 . 1 1 116 116 THR CA C 13 59.633 0.40 . 1 . . . A 116 THR CA . 18509 1 392 . 1 1 116 116 THR N N 15 112.218 0.40 . 1 . . . A 116 THR N . 18509 1 393 . 1 1 117 117 LEU H H 1 8.799 0.02 . 1 . . . A 117 LEU H . 18509 1 394 . 1 1 117 117 LEU C C 13 171.126 0.40 . 1 . . . A 117 LEU C . 18509 1 395 . 1 1 117 117 LEU CA C 13 50.415 0.40 . 1 . . . A 117 LEU CA . 18509 1 396 . 1 1 117 117 LEU N N 15 129.477 0.40 . 1 . . . A 117 LEU N . 18509 1 397 . 1 1 118 118 VAL H H 1 8.906 0.02 . 1 . . . A 118 VAL H . 18509 1 398 . 1 1 118 118 VAL C C 13 170.267 0.40 . 1 . . . A 118 VAL C . 18509 1 399 . 1 1 118 118 VAL CA C 13 58.139 0.40 . 1 . . . A 118 VAL CA . 18509 1 400 . 1 1 118 118 VAL N N 15 125.091 0.40 . 1 . . . A 118 VAL N . 18509 1 401 . 1 1 119 119 VAL H H 1 7.982 0.02 . 1 . . . A 119 VAL H . 18509 1 402 . 1 1 119 119 VAL C C 13 171.175 0.40 . 1 . . . A 119 VAL C . 18509 1 403 . 1 1 119 119 VAL CA C 13 55.271 0.40 . 1 . . . A 119 VAL CA . 18509 1 404 . 1 1 119 119 VAL N N 15 120.716 0.40 . 1 . . . A 119 VAL N . 18509 1 405 . 1 1 120 120 HIS H H 1 8.935 0.02 . 1 . . . A 120 HIS H . 18509 1 406 . 1 1 120 120 HIS C C 13 172.599 0.40 . 1 . . . A 120 HIS C . 18509 1 407 . 1 1 120 120 HIS CA C 13 53.394 0.40 . 1 . . . A 120 HIS CA . 18509 1 408 . 1 1 120 120 HIS N N 15 125.052 0.40 . 1 . . . A 120 HIS N . 18509 1 409 . 1 1 121 121 GLU H H 1 9.178 0.02 . 1 . . . A 121 GLU H . 18509 1 410 . 1 1 121 121 GLU C C 13 172.304 0.40 . 1 . . . A 121 GLU C . 18509 1 411 . 1 1 121 121 GLU CA C 13 56.090 0.40 . 1 . . . A 121 GLU CA . 18509 1 412 . 1 1 121 121 GLU N N 15 121.453 0.40 . 1 . . . A 121 GLU N . 18509 1 413 . 1 1 122 122 LYS H H 1 8.478 0.02 . 1 . . . A 122 LYS H . 18509 1 414 . 1 1 122 122 LYS C C 13 171.523 0.40 . 1 . . . A 122 LYS C . 18509 1 415 . 1 1 122 122 LYS CA C 13 50.619 0.40 . 1 . . . A 122 LYS CA . 18509 1 416 . 1 1 122 122 LYS N N 15 115.248 0.40 . 1 . . . A 122 LYS N . 18509 1 417 . 1 1 123 123 ALA H H 1 7.796 0.02 . 1 . . . A 123 ALA H . 18509 1 418 . 1 1 123 123 ALA C C 13 173.219 0.40 . 1 . . . A 123 ALA C . 18509 1 419 . 1 1 123 123 ALA CA C 13 48.850 0.40 . 1 . . . A 123 ALA CA . 18509 1 420 . 1 1 123 123 ALA N N 15 120.866 0.40 . 1 . . . A 123 ALA N . 18509 1 421 . 1 1 124 124 ASP H H 1 10.165 0.02 . 1 . . . A 124 ASP H . 18509 1 422 . 1 1 124 124 ASP C C 13 174.458 0.40 . 1 . . . A 124 ASP C . 18509 1 423 . 1 1 124 124 ASP CA C 13 49.408 0.40 . 1 . . . A 124 ASP CA . 18509 1 424 . 1 1 124 124 ASP N N 15 121.799 0.40 . 1 . . . A 124 ASP N . 18509 1 425 . 1 1 125 125 ASP H H 1 10.055 0.02 . 1 . . . A 125 ASP H . 18509 1 426 . 1 1 125 125 ASP C C 13 175.231 0.40 . 1 . . . A 125 ASP C . 18509 1 427 . 1 1 125 125 ASP CA C 13 50.939 0.40 . 1 . . . A 125 ASP CA . 18509 1 428 . 1 1 125 125 ASP N N 15 129.369 0.40 . 1 . . . A 125 ASP N . 18509 1 429 . 1 1 126 126 LEU H H 1 10.483 0.02 . 1 . . . A 126 LEU H . 18509 1 430 . 1 1 126 126 LEU C C 13 173.964 0.40 . 1 . . . A 126 LEU C . 18509 1 431 . 1 1 126 126 LEU N N 15 117.190 0.40 . 1 . . . A 126 LEU N . 18509 1 432 . 1 1 127 127 GLY H H 1 8.637 0.02 . 1 . . . A 127 GLY H . 18509 1 433 . 1 1 127 127 GLY CA C 13 42.878 0.40 . 1 . . . A 127 GLY CA . 18509 1 434 . 1 1 127 127 GLY N N 15 103.809 0.40 . 1 . . . A 127 GLY N . 18509 1 435 . 1 1 128 128 LYS H H 1 7.158 0.02 . 1 . . . A 128 LYS H . 18509 1 436 . 1 1 128 128 LYS CA C 13 51.740 0.40 . 1 . . . A 128 LYS CA . 18509 1 437 . 1 1 128 128 LYS N N 15 118.290 0.40 . 1 . . . A 128 LYS N . 18509 1 438 . 1 1 129 129 GLY H H 1 8.913 0.02 . 1 . . . A 129 GLY H . 18509 1 439 . 1 1 129 129 GLY C C 13 171.524 0.40 . 1 . . . A 129 GLY C . 18509 1 440 . 1 1 129 129 GLY CA C 13 42.113 0.40 . 1 . . . A 129 GLY CA . 18509 1 441 . 1 1 129 129 GLY N N 15 108.507 0.40 . 1 . . . A 129 GLY N . 18509 1 442 . 1 1 130 130 GLY H H 1 8.723 0.02 . 1 . . . A 130 GLY H . 18509 1 443 . 1 1 130 130 GLY C C 13 169.994 0.40 . 1 . . . A 130 GLY C . 18509 1 444 . 1 1 130 130 GLY CA C 13 42.419 0.40 . 1 . . . A 130 GLY CA . 18509 1 445 . 1 1 130 130 GLY N N 15 108.537 0.40 . 1 . . . A 130 GLY N . 18509 1 446 . 1 1 131 131 ASN H H 1 7.152 0.02 . 1 . . . A 131 ASN H . 18509 1 447 . 1 1 131 131 ASN C C 13 172.236 0.40 . 1 . . . A 131 ASN C . 18509 1 448 . 1 1 131 131 ASN N N 15 111.951 0.40 . 1 . . . A 131 ASN N . 18509 1 449 . 1 1 132 132 GLU H H 1 8.935 0.02 . 1 . . . A 132 GLU H . 18509 1 450 . 1 1 132 132 GLU C C 13 171.084 0.40 . 1 . . . A 132 GLU C . 18509 1 451 . 1 1 132 132 GLU N N 15 120.461 0.40 . 1 . . . A 132 GLU N . 18509 1 452 . 1 1 133 133 GLU H H 1 8.775 0.02 . 1 . . . A 133 GLU H . 18509 1 453 . 1 1 133 133 GLU C C 13 176.239 0.40 . 1 . . . A 133 GLU C . 18509 1 454 . 1 1 133 133 GLU N N 15 120.137 0.40 . 1 . . . A 133 GLU N . 18509 1 455 . 1 1 134 134 SER H H 1 8.117 0.02 . 1 . . . A 134 SER H . 18509 1 456 . 1 1 134 134 SER CA C 13 59.046 0.40 . 1 . . . A 134 SER CA . 18509 1 457 . 1 1 134 134 SER N N 15 114.981 0.40 . 1 . . . A 134 SER N . 18509 1 458 . 1 1 135 135 THR H H 1 7.206 0.02 . 1 . . . A 135 THR H . 18509 1 459 . 1 1 135 135 THR C C 13 172.804 0.40 . 1 . . . A 135 THR C . 18509 1 460 . 1 1 135 135 THR CA C 13 60.029 0.40 . 1 . . . A 135 THR CA . 18509 1 461 . 1 1 135 135 THR N N 15 102.263 0.40 . 1 . . . A 135 THR N . 18509 1 462 . 1 1 136 136 LYS H H 1 7.884 0.02 . 1 . . . A 136 LYS H . 18509 1 463 . 1 1 136 136 LYS N N 15 122.108 0.40 . 1 . . . A 136 LYS N . 18509 1 464 . 1 1 137 137 THR H H 1 8.630 0.02 . 1 . . . A 137 THR H . 18509 1 465 . 1 1 137 137 THR N N 15 105.718 0.40 . 1 . . . A 137 THR N . 18509 1 466 . 1 1 138 138 GLY H H 1 7.426 0.02 . 1 . . . A 138 GLY H . 18509 1 467 . 1 1 138 138 GLY CA C 13 42.483 0.40 . 1 . . . A 138 GLY CA . 18509 1 468 . 1 1 138 138 GLY N N 15 111.372 0.40 . 1 . . . A 138 GLY N . 18509 1 469 . 1 1 139 139 ASN H H 1 7.545 0.02 . 1 . . . A 139 ASN H . 18509 1 470 . 1 1 139 139 ASN N N 15 107.496 0.40 . 1 . . . A 139 ASN N . 18509 1 471 . 1 1 140 140 ALA H H 1 6.368 0.02 . 1 . . . A 140 ALA H . 18509 1 472 . 1 1 140 140 ALA C C 13 173.571 0.40 . 1 . . . A 140 ALA C . 18509 1 473 . 1 1 140 140 ALA N N 15 114.542 0.40 . 1 . . . A 140 ALA N . 18509 1 474 . 1 1 141 141 GLY H H 1 8.271 0.02 . 1 . . . A 141 GLY H . 18509 1 475 . 1 1 141 141 GLY C C 13 173.542 0.40 . 1 . . . A 141 GLY C . 18509 1 476 . 1 1 141 141 GLY N N 15 105.287 0.40 . 1 . . . A 141 GLY N . 18509 1 477 . 1 1 142 142 SER H H 1 9.196 0.02 . 1 . . . A 142 SER H . 18509 1 478 . 1 1 142 142 SER C C 13 170.188 0.40 . 1 . . . A 142 SER C . 18509 1 479 . 1 1 142 142 SER N N 15 118.771 0.40 . 1 . . . A 142 SER N . 18509 1 480 . 1 1 143 143 ARG H H 1 8.943 0.02 . 1 . . . A 143 ARG H . 18509 1 481 . 1 1 143 143 ARG C C 13 171.596 0.40 . 1 . . . A 143 ARG C . 18509 1 482 . 1 1 143 143 ARG N N 15 120.189 0.40 . 1 . . . A 143 ARG N . 18509 1 483 . 1 1 144 144 LEU H H 1 8.395 0.02 . 1 . . . A 144 LEU H . 18509 1 484 . 1 1 144 144 LEU C C 13 174.393 0.40 . 1 . . . A 144 LEU C . 18509 1 485 . 1 1 144 144 LEU CA C 13 53.375 0.40 . 1 . . . A 144 LEU CA . 18509 1 486 . 1 1 144 144 LEU N N 15 122.907 0.40 . 1 . . . A 144 LEU N . 18509 1 487 . 1 1 145 145 ALA H H 1 7.356 0.02 . 1 . . . A 145 ALA H . 18509 1 488 . 1 1 145 145 ALA C C 13 171.752 0.40 . 1 . . . A 145 ALA C . 18509 1 489 . 1 1 145 145 ALA CA C 13 48.129 0.40 . 1 . . . A 145 ALA CA . 18509 1 490 . 1 1 145 145 ALA N N 15 114.159 0.40 . 1 . . . A 145 ALA N . 18509 1 491 . 1 1 146 146 CYS H H 1 9.008 0.02 . 1 . . . A 146 CYS H . 18509 1 492 . 1 1 146 146 CYS C C 13 170.087 0.40 . 1 . . . A 146 CYS C . 18509 1 493 . 1 1 146 146 CYS CA C 13 51.077 0.40 . 1 . . . A 146 CYS CA . 18509 1 494 . 1 1 146 146 CYS N N 15 110.738 0.40 . 1 . . . A 146 CYS N . 18509 1 495 . 1 1 147 147 GLY H H 1 8.018 0.02 . 1 . . . A 147 GLY H . 18509 1 496 . 1 1 147 147 GLY C C 13 167.909 0.40 . 1 . . . A 147 GLY C . 18509 1 497 . 1 1 147 147 GLY CA C 13 42.674 0.40 . 1 . . . A 147 GLY CA . 18509 1 498 . 1 1 147 147 GLY N N 15 106.461 0.40 . 1 . . . A 147 GLY N . 18509 1 499 . 1 1 148 148 VAL H H 1 8.434 0.02 . 1 . . . A 148 VAL H . 18509 1 500 . 1 1 148 148 VAL C C 13 172.084 0.40 . 1 . . . A 148 VAL C . 18509 1 501 . 1 1 148 148 VAL CA C 13 59.635 0.40 . 1 . . . A 148 VAL CA . 18509 1 502 . 1 1 148 148 VAL N N 15 124.054 0.40 . 1 . . . A 148 VAL N . 18509 1 503 . 1 1 149 149 ILE H H 1 8.613 0.02 . 1 . . . A 149 ILE H . 18509 1 504 . 1 1 149 149 ILE C C 13 171.804 0.40 . 1 . . . A 149 ILE C . 18509 1 505 . 1 1 149 149 ILE CA C 13 59.184 0.40 . 1 . . . A 149 ILE CA . 18509 1 506 . 1 1 149 149 ILE N N 15 126.918 0.40 . 1 . . . A 149 ILE N . 18509 1 507 . 1 1 150 150 GLY H H 1 9.283 0.02 . 1 . . . A 150 GLY H . 18509 1 508 . 1 1 150 150 GLY C C 13 170.188 0.40 . 1 . . . A 150 GLY C . 18509 1 509 . 1 1 150 150 GLY CA C 13 40.120 0.40 . 1 . . . A 150 GLY CA . 18509 1 510 . 1 1 150 150 GLY N N 15 116.493 0.40 . 1 . . . A 150 GLY N . 18509 1 511 . 1 1 151 151 ILE H H 1 8.943 0.02 . 1 . . . A 151 ILE H . 18509 1 512 . 1 1 151 151 ILE C C 13 172.231 0.40 . 1 . . . A 151 ILE C . 18509 1 513 . 1 1 151 151 ILE CA C 13 60.372 0.40 . 1 . . . A 151 ILE CA . 18509 1 514 . 1 1 151 151 ILE N N 15 120.189 0.40 . 1 . . . A 151 ILE N . 18509 1 515 . 1 1 152 152 ALA H H 1 8.170 0.02 . 1 . . . A 152 ALA H . 18509 1 516 . 1 1 152 152 ALA CA C 13 46.772 0.40 . 1 . . . A 152 ALA CA . 18509 1 517 . 1 1 152 152 ALA N N 15 129.719 0.40 . 1 . . . A 152 ALA N . 18509 1 stop_ save_